data_AVS_bmrb_pdb_report_16967 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16967 _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 12 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 16967 1 1 1 1 55 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16967 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 12 ARG C 175.214 . 176.41 2.03 5.5575e-01 16967 1 1 1 1 12 ARG CA 56.254 . 56.77 2.31 8.2324e-01 16967 1 1 1 1 12 ARG CB 31.542 . 30.7 1.83 6.4544e-01 16967 1 1 1 1 12 ARG CG 26.462 . 27.21 1.2 5.3307e-01 16967 1 1 1 1 12 ARG CD 43.435 . 43.16 0.88 7.5466e-01 16967 1 1 1 1 12 ARG H 8.439 . 8.24 0.61 7.4425e-01 16967 1 1 1 1 12 ARG HA 3.891 . 4.3 0.46 3.7393e-01 16967 1 1 1 1 12 ARG HB2 1.223 . 1.79 0.27 3.5729e-02 16967 1 1 1 1 12 ARG HB3 1.290 . 1.76 0.28 9.3236e-02 16967 1 1 1 1 12 ARG HG2 0.708 . 1.57 0.27 1.4100e-03 16967 1 1 1 1 12 ARG HG3 0.921 . 1.54 0.29 3.2803e-02 16967 1 1 1 1 12 ARG HD2 2.037 S 3.12 0.24 6.4068e-06 16967 1 1 1 1 12 ARG HD3 2.568 . 3.1 0.26 4.0741e-02 16967 1 1 1 1 12 ARG HH11 6.618 . 6.91 0.46 5.2557e-01 16967 1 1 1 1 12 ARG HH12 6.975 . 6.8 0.33 5.9590e-01 16967 1 1 1 1 12 ARG HH21 6.618 . 6.81 0.48 6.8916e-01 16967 1 1 1 1 12 ARG HH22 6.975 . 6.76 0.36 5.5036e-01 16967 1 1 1 1 12 ARG N 122.705 . 120.8 3.68 6.0469e-01 16967 1 1 1 1 12 ARG NH1 110.529 A 73.82 4.62 1.9314e-15 16967 1 1 1 1 12 ARG NH2 110.529 A 73.26 3.32 3.0530e-29 16967 1 1 1 1 55 ARG CA 54.613 . 56.77 2.31 3.5042e-01 16967 1 1 1 1 55 ARG CB 32.319 . 30.7 1.83 3.7632e-01 16967 1 1 1 1 55 ARG CG 26.630 . 27.21 1.2 6.2886e-01 16967 1 1 1 1 55 ARG CD 43.300 . 43.16 0.88 8.7360e-01 16967 1 1 1 1 55 ARG H 8.276 . 8.24 0.61 9.5294e-01 16967 1 1 1 1 55 ARG HA 4.393 . 4.3 0.46 8.3978e-01 16967 1 1 1 1 55 ARG HB2 1.598 . 1.79 0.27 4.7702e-01 16967 1 1 1 1 55 ARG HB3 1.598 . 1.76 0.28 5.6288e-01 16967 1 1 1 1 55 ARG HG2 1.463 . 1.57 0.27 6.9189e-01 16967 1 1 1 1 55 ARG HG3 1.572 . 1.54 0.29 9.1214e-01 16967 1 1 1 1 55 ARG HD2 3.100 . 3.12 0.24 9.3359e-01 16967 1 1 1 1 55 ARG HD3 3.100 . 3.1 0.26 1.0000e+00 16967 1 1 1 1 55 ARG HH11 7.803 . 6.91 0.46 5.2221e-02 16967 1 1 1 1 55 ARG HH12 7.106 . 6.8 0.33 3.5379e-01 16967 1 1 1 1 55 ARG HH21 7.803 . 6.81 0.48 3.8570e-02 16967 1 1 1 1 55 ARG HH22 7.106 . 6.76 0.36 3.3650e-01 16967 1 1 1 1 55 ARG N 125.775 . 120.8 3.68 1.7641e-01 16967 1 1 1 1 55 ARG NH1 103.061 A 73.82 4.62 2.4640e-10 16967 1 1 1 1 55 ARG NH2 103.061 A 73.26 3.32 2.8027e-19 16967 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 12 ARG ARG 0.73 16967 1 1 1 1 12 ARG LYS 0.14 16967 1 1 1 1 12 ARG GLY 0.11 16967 1 1 1 1 55 ARG ARG 0.72 16967 1 1 1 1 55 ARG LYS 0.15 16967 1 1 1 1 55 ARG GLY 0.12 16967 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16967 _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 16967 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16967 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16967 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16967 _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_