data_AVS_bmrb_pdb_report_4281 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4281 _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 4281 1 1 1 1 24 ARG Anomalous Consistent Consistent Consistent Anomalous 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 4281 1 1 1 1 24 ARG C 181.607 M 176.49 2.16 1.7837e-02 4281 1 1 1 1 24 ARG CA 56.713 . 56.95 2.41 9.2166e-01 4281 1 1 1 1 24 ARG CB 27.364 . 30.66 1.77 6.2583e-02 4281 1 1 1 1 24 ARG CG 24.836 . 27.31 1.65 1.3377e-01 4281 1 1 1 1 24 ARG CD 40.780 . 43.1 1.1 3.4937e-02 4281 1 1 1 1 24 ARG H 8.690 . 8.24 0.6 4.5325e-01 4281 1 1 1 1 24 ARG HA 4.074 . 4.27 0.44 6.5599e-01 4281 1 1 1 1 24 ARG HB2 1.808 . 1.79 0.28 9.4874e-01 4281 1 1 1 1 24 ARG HB3 1.808 . 1.78 0.28 9.2034e-01 4281 1 1 1 1 24 ARG HG2 1.600 . 1.58 0.27 9.4095e-01 4281 1 1 1 1 24 ARG HG3 1.701 . 1.58 0.27 6.5405e-01 4281 1 1 1 1 24 ARG HD2 3.107 . 3.13 0.23 9.2034e-01 4281 1 1 1 1 24 ARG HD3 3.107 . 3.13 0.22 9.1674e-01 4281 1 1 1 1 24 ARG HE 7.200 . 7.32 0.52 8.1749e-01 4281 1 1 1 1 24 ARG N 117.593 . 120.61 3.9 4.3917e-01 4281 1 1 1 1 24 ARG NE 84.400 . 89.8 12.83 6.7384e-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 4281 1 1 1 1 24 ARG LEU 0.53 4281 1 1 1 1 24 ARG LYS 0.43 4281 1 1 1 1 24 ARG ARG 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4281 _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 4281 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 4281 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4281 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4281 _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_