data_AVS_bmrb_pdb_report_18842 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18842 _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 30 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18842 1 1 1 1 94 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18842 1 1 1 1 110 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18842 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 30 ARG C 174.751 . 176.41 2.03 4.1379e-01 18842 1 1 1 1 30 ARG CA 53.389 . 56.77 2.31 1.4329e-01 18842 1 1 1 1 30 ARG CB 33.818 . 30.7 1.83 8.8414e-02 18842 1 1 1 1 30 ARG CG 27.300 . 27.21 1.2 9.4021e-01 18842 1 1 1 1 30 ARG CD 43.284 . 43.16 0.88 8.8794e-01 18842 1 1 1 1 30 ARG H 7.613 . 8.24 0.61 3.0401e-01 18842 1 1 1 1 30 ARG HA 4.829 . 4.3 0.46 2.5014e-01 18842 1 1 1 1 30 ARG HB2 1.433 . 1.79 0.27 1.8609e-01 18842 1 1 1 1 30 ARG HB3 1.559 . 1.76 0.28 4.7285e-01 18842 1 1 1 1 30 ARG HG2 1.611 . 1.57 0.27 8.7930e-01 18842 1 1 1 1 30 ARG HG3 1.464 . 1.54 0.29 7.9327e-01 18842 1 1 1 1 30 ARG HD2 3.110 . 3.12 0.24 9.6676e-01 18842 1 1 1 1 30 ARG HD3 3.046 . 3.1 0.26 8.3547e-01 18842 1 1 1 1 30 ARG HE 7.130 . 7.4 0.63 6.6823e-01 18842 1 1 1 1 30 ARG N 126.402 . 120.8 3.68 1.2794e-01 18842 1 1 1 1 30 ARG NE 111.049 A 84.63 1.68 1.0100e-55 18842 1 1 1 1 94 ARG C 176.782 . 176.41 2.03 8.5460e-01 18842 1 1 1 1 94 ARG CA 59.051 . 56.77 2.31 3.2342e-01 18842 1 1 1 1 94 ARG CD 42.507 . 43.16 0.88 4.5806e-01 18842 1 1 1 1 94 ARG H 9.334 . 8.24 0.61 7.2902e-02 18842 1 1 1 1 94 ARG HA 3.865 . 4.3 0.46 3.4433e-01 18842 1 1 1 1 94 ARG HB2 1.997 . 1.79 0.27 4.4328e-01 18842 1 1 1 1 94 ARG HB3 1.820 . 1.76 0.28 8.3032e-01 18842 1 1 1 1 94 ARG HG3 1.789 . 1.54 0.29 3.9055e-01 18842 1 1 1 1 94 ARG HD2 3.377 . 3.12 0.24 2.8424e-01 18842 1 1 1 1 94 ARG HD3 3.120 . 3.1 0.26 9.3868e-01 18842 1 1 1 1 94 ARG HE 7.419 . 7.4 0.63 9.7594e-01 18842 1 1 1 1 94 ARG N 129.027 . 120.8 3.68 2.5378e-02 18842 1 1 1 1 94 ARG NE 109.917 A 84.63 1.68 3.3604e-51 18842 1 1 1 1 110 ARG C 178.636 . 176.41 2.03 2.7284e-01 18842 1 1 1 1 110 ARG CA 58.376 . 56.77 2.31 4.8691e-01 18842 1 1 1 1 110 ARG CB 29.850 . 30.7 1.83 6.4230e-01 18842 1 1 1 1 110 ARG CG 27.141 . 27.21 1.2 9.5415e-01 18842 1 1 1 1 110 ARG CD 43.894 . 43.16 0.88 4.0423e-01 18842 1 1 1 1 110 ARG H 7.550 . 8.24 0.61 2.5799e-01 18842 1 1 1 1 110 ARG HA 4.137 . 4.3 0.46 7.2308e-01 18842 1 1 1 1 110 ARG HB2 1.681 . 1.79 0.27 6.8643e-01 18842 1 1 1 1 110 ARG HG2 1.687 . 1.57 0.27 6.6477e-01 18842 1 1 1 1 110 ARG HG3 1.552 . 1.54 0.29 9.6699e-01 18842 1 1 1 1 110 ARG HD2 3.011 . 3.12 0.24 6.4971e-01 18842 1 1 1 1 110 ARG HD3 3.168 . 3.1 0.26 7.9368e-01 18842 1 1 1 1 110 ARG HE 7.079 . 7.4 0.63 6.1038e-01 18842 1 1 1 1 110 ARG N 121.010 . 120.8 3.68 9.5449e-01 18842 1 1 1 1 110 ARG NE 111.131 A 84.63 1.68 4.6678e-56 18842 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 30 ARG ARG 0.57 18842 1 1 1 1 30 ARG GLY 0.25 18842 1 1 1 1 30 ARG LYS 0.17 18842 1 1 1 1 94 ARG LYS 0.21 18842 1 1 1 1 94 ARG ARG 0.21 18842 1 1 1 1 94 ARG PHE 0.2 18842 1 1 1 1 94 ARG TYR 0.14 18842 1 1 1 1 94 ARG LEU 0.12 18842 1 1 1 1 94 ARG ILE 0.04 18842 1 1 1 1 94 ARG ASP 0.02 18842 1 1 1 1 94 ARG GLY 0.01 18842 1 1 1 1 110 ARG ARG 0.72 18842 1 1 1 1 110 ARG GLY 0.23 18842 1 1 1 1 110 ARG LYS 0.02 18842 1 1 1 1 110 ARG LEU 0.01 18842 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18842 _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 18842 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18842 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18842 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18842 _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_