data_AVS_bmrb_pdb_report_6498 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6498 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6498 1 1 1 1 26 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6498 1 1 1 1 26 ARG C 178.47 . 176.49 2.16 3.5932e-01 6498 1 1 1 1 26 ARG CA 58.84 . 56.95 2.41 4.3290e-01 6498 1 1 1 1 26 ARG CB 30.48 . 30.66 1.77 9.1900e-01 6498 1 1 1 1 26 ARG CG 25.12 . 27.31 1.65 1.8442e-01 6498 1 1 1 1 26 ARG CD 43.36 . 43.1 1.1 8.1315e-01 6498 1 1 1 1 26 ARG H 9.18 . 8.24 0.6 1.1719e-01 6498 1 1 1 1 26 ARG HA 3.98 . 4.27 0.44 5.0984e-01 6498 1 1 1 1 26 ARG HB2 1.21 . 1.79 0.28 3.8319e-02 6498 1 1 1 1 26 ARG HB3 1.95 . 1.78 0.28 5.4376e-01 6498 1 1 1 1 26 ARG HG2 1.25 . 1.58 0.27 2.2162e-01 6498 1 1 1 1 26 ARG HG3 1.51 . 1.58 0.27 7.9544e-01 6498 1 1 1 1 26 ARG HD2 2.91 . 3.13 0.23 3.3881e-01 6498 1 1 1 1 26 ARG HD3 2.94 . 3.13 0.22 3.8779e-01 6498 1 1 1 1 26 ARG HE 7.97 . 7.32 0.52 2.1130e-01 6498 1 1 1 1 26 ARG HH11 6.39 . 6.74 0.31 2.5888e-01 6498 1 1 1 1 26 ARG HH12 6.39 . 6.75 0.32 2.6059e-01 6498 1 1 1 1 26 ARG HH21 6.39 . 6.72 0.32 3.0242e-01 6498 1 1 1 1 26 ARG HH22 6.39 . 6.72 0.33 3.1731e-01 6498 1 1 1 1 26 ARG N 116.46 . 120.61 3.9 2.8728e-01 6498 1 1 1 1 26 ARG NE 129.46 M 89.8 12.83 1.9935e-03 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6498 1 1 1 1 26 ARG ARG 0.57 6498 1 1 1 1 26 ARG LYS 0.25 6498 1 1 1 1 26 ARG GLY 0.14 6498 1 1 1 1 26 ARG LEU 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6498 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 6498 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 6498 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6498 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6498 _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_