data_AVS_bmrb_pdb_report_16851 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16851 _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 38 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16851 1 1 1 1 39 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16851 1 1 1 1 84 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16851 1 1 1 1 86 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16851 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 38 ARG C 178.14 . 176.41 2.03 3.9409e-01 16851 1 1 1 1 38 ARG CA 58.90 . 56.77 2.31 3.5649e-01 16851 1 1 1 1 38 ARG CB 29.49 . 30.7 1.83 5.0848e-01 16851 1 1 1 1 38 ARG CG 27.73 . 27.21 1.2 6.6477e-01 16851 1 1 1 1 38 ARG CD 43.66 . 43.16 0.88 5.6991e-01 16851 1 1 1 1 38 ARG H 9.00 . 8.24 0.61 2.1280e-01 16851 1 1 1 1 38 ARG HA 4.15 . 4.3 0.46 7.4436e-01 16851 1 1 1 1 38 ARG HB2 1.91 . 1.79 0.27 6.5672e-01 16851 1 1 1 1 38 ARG HG2 1.72 . 1.57 0.27 5.7851e-01 16851 1 1 1 1 38 ARG HD2 3.21 . 3.12 0.24 7.0766e-01 16851 1 1 1 1 38 ARG HE 7.50 . 7.4 0.63 8.7388e-01 16851 1 1 1 1 38 ARG N 128.57 . 120.8 3.68 3.4737e-02 16851 1 1 1 1 38 ARG NE 109.77 A 84.63 1.68 1.2567e-50 16851 1 1 1 1 39 ARG C 178.18 . 176.41 2.03 3.8325e-01 16851 1 1 1 1 39 ARG CA 58.96 . 56.77 2.31 3.4310e-01 16851 1 1 1 1 39 ARG CB 29.40 . 30.7 1.83 4.7747e-01 16851 1 1 1 1 39 ARG CG 27.40 . 27.21 1.2 8.7419e-01 16851 1 1 1 1 39 ARG CD 43.50 . 43.16 0.88 6.9923e-01 16851 1 1 1 1 39 ARG H 9.46 . 8.24 0.61 4.5500e-02 16851 1 1 1 1 39 ARG HA 3.95 . 4.3 0.46 4.4674e-01 16851 1 1 1 1 39 ARG HG2 1.60 . 1.57 0.27 9.1153e-01 16851 1 1 1 1 39 ARG HD2 3.13 . 3.12 0.24 9.6676e-01 16851 1 1 1 1 39 ARG HE 7.63 . 7.4 0.63 7.1505e-01 16851 1 1 1 1 39 ARG N 119.25 . 120.8 3.68 6.7361e-01 16851 1 1 1 1 39 ARG NE 110.58 A 84.63 1.68 7.9741e-54 16851 1 1 1 1 84 ARG C 177.56 . 176.41 2.03 5.7105e-01 16851 1 1 1 1 84 ARG CA 58.39 . 56.77 2.31 4.8312e-01 16851 1 1 1 1 84 ARG CB 30.48 . 30.7 1.83 9.0431e-01 16851 1 1 1 1 84 ARG CG 27.49 . 27.21 1.2 8.1550e-01 16851 1 1 1 1 84 ARG CD 43.50 . 43.16 0.88 6.9923e-01 16851 1 1 1 1 84 ARG H 7.92 . 8.24 0.61 5.9987e-01 16851 1 1 1 1 84 ARG HA 4.18 . 4.3 0.46 7.9419e-01 16851 1 1 1 1 84 ARG HB2 1.94 . 1.79 0.27 5.7851e-01 16851 1 1 1 1 84 ARG HG2 1.70 . 1.57 0.27 6.3017e-01 16851 1 1 1 1 84 ARG HG3 1.81 . 1.54 0.29 3.5184e-01 16851 1 1 1 1 84 ARG HD2 3.21 . 3.12 0.24 7.0766e-01 16851 1 1 1 1 84 ARG HE 7.28 . 7.4 0.63 8.4894e-01 16851 1 1 1 1 84 ARG N 118.29 . 120.8 3.68 4.9520e-01 16851 1 1 1 1 84 ARG NE 109.21 A 84.63 1.68 1.7827e-48 16851 1 1 1 1 86 ARG C 175.22 . 176.41 2.03 5.5774e-01 16851 1 1 1 1 86 ARG CA 56.25 . 56.77 2.31 8.2190e-01 16851 1 1 1 1 86 ARG CB 30.85 . 30.7 1.83 9.3467e-01 16851 1 1 1 1 86 ARG CG 27.24 . 27.21 1.2 9.8006e-01 16851 1 1 1 1 86 ARG CD 43.50 . 43.16 0.88 6.9923e-01 16851 1 1 1 1 86 ARG H 7.58 . 8.24 0.61 2.7927e-01 16851 1 1 1 1 86 ARG HA 4.36 . 4.3 0.46 8.9622e-01 16851 1 1 1 1 86 ARG HB2 1.79 . 1.79 0.27 1.0000e+00 16851 1 1 1 1 86 ARG HB3 1.96 . 1.76 0.28 4.7505e-01 16851 1 1 1 1 86 ARG HG2 1.69 . 1.57 0.27 6.5672e-01 16851 1 1 1 1 86 ARG HD2 3.18 . 3.12 0.24 8.0259e-01 16851 1 1 1 1 86 ARG HE 7.27 . 7.4 0.63 8.3652e-01 16851 1 1 1 1 86 ARG N 121.51 . 120.8 3.68 8.4701e-01 16851 1 1 1 1 86 ARG NE 109.53 A 84.63 1.68 1.0650e-49 16851 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 38 ARG ARG 0.74 16851 1 1 1 1 38 ARG GLY 0.2 16851 1 1 1 1 38 ARG LYS 0.03 16851 1 1 1 1 38 ARG LEU 0.01 16851 1 1 1 1 39 ARG ARG 0.77 16851 1 1 1 1 39 ARG GLY 0.15 16851 1 1 1 1 39 ARG LYS 0.04 16851 1 1 1 1 39 ARG LEU 0.02 16851 1 1 1 1 84 ARG ARG 0.77 16851 1 1 1 1 84 ARG GLY 0.13 16851 1 1 1 1 84 ARG LYS 0.08 16851 1 1 1 1 86 ARG ARG 0.78 16851 1 1 1 1 86 ARG GLY 0.13 16851 1 1 1 1 86 ARG LYS 0.08 16851 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16851 _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 16851 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16851 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16851 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16851 _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_