data_AVS_bmrb_pdb_report_30921 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30921 _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 7 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30921 1 1 1 1 15 TYS UNSUPPORTED . . . . . . . 30921 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 7 ARG CA 57.135 . 56.77 2.31 8.7445e-01 30921 1 1 1 1 7 ARG CB 29.700 . 30.7 1.83 5.8476e-01 30921 1 1 1 1 7 ARG CG 27.065 . 27.21 1.2 9.0382e-01 30921 1 1 1 1 7 ARG CD 43.195 . 43.16 0.88 9.6827e-01 30921 1 1 1 1 7 ARG H 8.315 . 8.24 0.61 9.0215e-01 30921 1 1 1 1 7 ARG HA 4.172 . 4.3 0.46 7.8081e-01 30921 1 1 1 1 7 ARG HB2 1.748 . 1.79 0.27 8.7638e-01 30921 1 1 1 1 7 ARG HB3 1.835 . 1.76 0.28 7.8881e-01 30921 1 1 1 1 7 ARG HG2 1.624 . 1.57 0.27 8.4148e-01 30921 1 1 1 1 7 ARG HG3 1.624 . 1.54 0.29 7.7208e-01 30921 1 1 1 1 7 ARG HD2 3.138 . 3.12 0.24 9.4021e-01 30921 1 1 1 1 7 ARG HD3 3.223 . 3.1 0.26 6.3616e-01 30921 1 1 1 1 7 ARG HE 7.489 . 7.4 0.63 8.8766e-01 30921 1 1 1 1 7 ARG N 84.773 A 120.8 3.68 1.2436e-22 30921 1 1 1 1 7 ARG NE 116.780 A 84.63 1.68 1.2445e-81 30921 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 7 ARG ARG 0.5 30921 1 1 1 1 7 ARG CYS 0.43 30921 1 1 1 1 7 ARG GLY 0.05 30921 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30921 _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 30921 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30921 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30921 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30921 _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_