data_AVS_bmrb_pdb_report_10026 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10026 _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 10026 1 1 1 1 99 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 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 10026 1 1 1 1 99 ARG C 174.748 . 176.49 2.16 4.1997e-01 10026 1 1 1 1 99 ARG CA 58.795 . 56.95 2.41 4.4394e-01 10026 1 1 1 1 99 ARG CB 30.092 . 30.66 1.77 7.4828e-01 10026 1 1 1 1 99 ARG CG 27.231 . 27.31 1.65 9.6181e-01 10026 1 1 1 1 99 ARG CD 42.502 . 43.1 1.1 5.8669e-01 10026 1 1 1 1 99 ARG H 8.442 . 8.24 0.6 7.3637e-01 10026 1 1 1 1 99 ARG HA 3.479 . 4.27 0.44 7.2220e-02 10026 1 1 1 1 99 ARG HB2 1.407 . 1.79 0.28 1.7136e-01 10026 1 1 1 1 99 ARG HB3 -0.382 M 1.78 0.28 1.1503e-14 10026 1 1 1 1 99 ARG HG2 1.201 . 1.58 0.27 1.6041e-01 10026 1 1 1 1 99 ARG HG3 0.907 . 1.58 0.27 1.2681e-02 10026 1 1 1 1 99 ARG HD2 3.184 . 3.13 0.23 8.1438e-01 10026 1 1 1 1 99 ARG HD3 2.512 . 3.13 0.22 4.9682e-03 10026 1 1 1 1 99 ARG HE 7.594 . 7.32 0.52 5.9825e-01 10026 1 1 1 1 99 ARG N 129.903 . 120.61 3.9 1.7181e-02 10026 1 1 1 1 99 ARG NE 106.897 . 89.8 12.83 1.8267e-01 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 10026 1 1 1 1 99 ARG ARG 0.43 10026 1 1 1 1 99 ARG CYS 0.37 10026 1 1 1 1 99 ARG LYS 0.15 10026 1 1 1 1 99 ARG GLY 0.02 10026 1 1 1 1 99 ARG LEU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10026 _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 10026 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 10026 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10026 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10026 _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_