data_AVS_bmrb_pdb_report_17062 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17062 _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 13 ARG Anomalous Indeterminable Consistent Duplicate Indeterminable Anomalous . . 17062 1 1 1 1 23 HIS Anomalous Indeterminable Consistent Duplicate Indeterminable Anomalous . . 17062 1 1 1 1 38 ARG Anomalous Indeterminable Consistent Suspicious Indeterminable Anomalous . . 17062 1 1 1 1 54 ARG Anomalous Indeterminable Consistent Duplicate Indeterminable Anomalous . . 17062 1 1 1 1 60 ARG Anomalous Indeterminable Consistent Duplicate Indeterminable Anomalous . . 17062 1 1 1 1 72 ARG Anomalous Indeterminable Consistent Suspicious Indeterminable Anomalous . . 17062 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 13 ARG H 8.527 D 8.24 0.61 6.3800e-01 17062 1 1 1 1 13 ARG HA 4.242 . 4.3 0.46 8.9966e-01 17062 1 1 1 1 13 ARG HB2 1.549 . 1.79 0.27 3.7208e-01 17062 1 1 1 1 13 ARG HB3 1.983 . 1.76 0.28 4.2578e-01 17062 1 1 1 1 13 ARG HG2 1.317 . 1.57 0.27 3.4874e-01 17062 1 1 1 1 13 ARG HD2 3.003 . 3.12 0.24 6.2590e-01 17062 1 1 1 1 13 ARG HD3 3.214 . 3.1 0.26 6.6105e-01 17062 1 1 1 1 13 ARG HE 7.681 . 7.4 0.63 6.5557e-01 17062 1 1 1 1 13 ARG N 128.678 D 120.8 3.68 3.2293e-02 17062 1 1 1 1 13 ARG NE 115.603 A 84.63 1.68 6.7172e-76 17062 1 1 1 1 23 HIS H 7.184 D 8.24 0.68 1.2044e-01 17062 1 1 1 1 23 HIS HA 4.742 . 4.61 0.43 7.5886e-01 17062 1 1 1 1 23 HIS HB2 3.146 . 3.1 0.36 8.9833e-01 17062 1 1 1 1 23 HIS HB3 3.225 . 3.04 0.38 6.2637e-01 17062 1 1 1 1 23 HIS HD1 6.601 . 8.68 2.62 4.2748e-01 17062 1 1 1 1 23 HIS HD2 7.148 . 7 0.43 7.3071e-01 17062 1 1 1 1 23 HIS HE1 7.867 . 7.95 0.48 8.6272e-01 17062 1 1 1 1 23 HIS N 118.046 D 119.69 4 6.8107e-01 17062 1 1 1 1 23 HIS ND1 131.269 A 195.02 18.51 5.7288e-04 17062 1 1 1 1 38 ARG H 8.464 . 8.24 0.61 7.1346e-01 17062 1 1 1 1 38 ARG HA 4.194 . 4.3 0.46 8.1775e-01 17062 1 1 1 1 38 ARG HB2 1.892 . 1.79 0.27 7.0560e-01 17062 1 1 1 1 38 ARG HB3 2.240 . 1.76 0.28 8.6476e-02 17062 1 1 1 1 38 ARG HG2 1.411 . 1.57 0.27 5.5594e-01 17062 1 1 1 1 38 ARG HG3 1.982 . 1.54 0.29 1.2747e-01 17062 1 1 1 1 38 ARG HD2 2.326 S 3.12 0.24 9.3853e-04 17062 1 1 1 1 38 ARG HD3 3.407 . 3.1 0.26 2.3769e-01 17062 1 1 1 1 38 ARG HE 7.290 . 7.4 0.63 8.6139e-01 17062 1 1 1 1 38 ARG N 119.984 . 120.8 3.68 8.2452e-01 17062 1 1 1 1 38 ARG NE 115.603 A 84.63 1.68 6.7172e-76 17062 1 1 1 1 54 ARG H 9.161 D 8.24 0.61 1.3109e-01 17062 1 1 1 1 54 ARG HA 5.022 . 4.3 0.46 1.1652e-01 17062 1 1 1 1 54 ARG HB2 1.497 . 1.79 0.27 2.7784e-01 17062 1 1 1 1 54 ARG HB3 1.880 . 1.76 0.28 6.6823e-01 17062 1 1 1 1 54 ARG HG2 1.164 . 1.57 0.27 1.3266e-01 17062 1 1 1 1 54 ARG HD2 3.061 . 3.12 0.24 8.0581e-01 17062 1 1 1 1 54 ARG HD3 3.637 . 3.1 0.26 3.8887e-02 17062 1 1 1 1 54 ARG HE 7.870 . 7.4 0.63 4.5565e-01 17062 1 1 1 1 54 ARG N 123.892 D 120.8 3.68 4.0079e-01 17062 1 1 1 1 54 ARG NE 115.685 A 84.63 1.68 2.7210e-76 17062 1 1 1 1 60 ARG H 8.004 D 8.24 0.61 6.9884e-01 17062 1 1 1 1 60 ARG HA 4.073 . 4.3 0.46 6.2167e-01 17062 1 1 1 1 60 ARG HB2 1.481 . 1.79 0.27 2.5244e-01 17062 1 1 1 1 60 ARG HB3 1.626 . 1.76 0.28 6.3224e-01 17062 1 1 1 1 60 ARG HG2 1.700 . 1.57 0.27 6.3017e-01 17062 1 1 1 1 60 ARG HD3 3.085 . 3.1 0.26 9.5399e-01 17062 1 1 1 1 60 ARG HE 6.983 . 7.4 0.63 5.0803e-01 17062 1 1 1 1 60 ARG N 116.393 D 120.8 3.68 2.3109e-01 17062 1 1 1 1 60 ARG NE 114.159 A 84.63 1.68 3.7102e-69 17062 1 1 1 1 72 ARG H 8.615 D 8.24 0.61 5.3872e-01 17062 1 1 1 1 72 ARG HA 2.004 S 4.3 0.46 5.9973e-07 17062 1 1 1 1 72 ARG HB2 1.764 . 1.79 0.27 9.2329e-01 17062 1 1 1 1 72 ARG HG2 1.321 . 1.57 0.27 3.5641e-01 17062 1 1 1 1 72 ARG HD3 3.129 . 3.1 0.26 9.1119e-01 17062 1 1 1 1 72 ARG HE 7.164 . 7.4 0.63 7.0796e-01 17062 1 1 1 1 72 ARG N 128.301 D 120.8 3.68 4.1518e-02 17062 1 1 1 1 72 ARG NE 114.701 A 84.63 1.68 1.1919e-71 17062 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17062 _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 17062 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17062 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17062 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17062 _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_