data_AVS_bmrb_pdb_report_17035 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17035 _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 4 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17035 1 1 1 1 21 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17035 1 1 1 1 27 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17035 1 1 1 1 33 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17035 1 1 1 1 49 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17035 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 4 ARG C 175.2 . 176.41 2.03 5.5114e-01 17035 1 1 1 1 4 ARG CA 55.3 . 56.77 2.31 5.2454e-01 17035 1 1 1 1 4 ARG CB 32.2 . 30.7 1.83 4.1240e-01 17035 1 1 1 1 4 ARG CG 27.5 . 27.21 1.2 8.0904e-01 17035 1 1 1 1 4 ARG CD 43.6 . 43.16 0.88 6.1707e-01 17035 1 1 1 1 4 ARG H 8.21 . 8.24 0.61 9.6078e-01 17035 1 1 1 1 4 ARG HA 4.73 . 4.3 0.46 3.4990e-01 17035 1 1 1 1 4 ARG HB2 1.82 . 1.79 0.27 9.1153e-01 17035 1 1 1 1 4 ARG HB3 1.82 . 1.76 0.28 8.3032e-01 17035 1 1 1 1 4 ARG HG2 1.68 . 1.57 0.27 6.8371e-01 17035 1 1 1 1 4 ARG HG3 1.60 . 1.54 0.29 8.3609e-01 17035 1 1 1 1 4 ARG HD2 3.20 . 3.12 0.24 7.3888e-01 17035 1 1 1 1 4 ARG HD3 3.20 . 3.1 0.26 7.0052e-01 17035 1 1 1 1 4 ARG HE 7.15 . 7.4 0.63 6.9150e-01 17035 1 1 1 1 4 ARG N 123.0 . 120.8 3.68 5.4996e-01 17035 1 1 1 1 4 ARG NE 109.5 A 84.63 1.68 1.3891e-49 17035 1 1 1 1 21 ARG C 177.5 . 176.41 2.03 5.9130e-01 17035 1 1 1 1 21 ARG CA 61.3 . 56.77 2.31 4.9875e-02 17035 1 1 1 1 21 ARG CB 30.8 . 30.7 1.83 9.5642e-01 17035 1 1 1 1 21 ARG CG 27.8 . 27.21 1.2 6.2295e-01 17035 1 1 1 1 21 ARG CD 44.2 . 43.16 0.88 2.3728e-01 17035 1 1 1 1 21 ARG H 7.30 . 8.24 0.61 1.2332e-01 17035 1 1 1 1 21 ARG HA 3.43 . 4.3 0.46 5.8584e-02 17035 1 1 1 1 21 ARG HB2 1.77 . 1.79 0.27 9.4095e-01 17035 1 1 1 1 21 ARG HB3 1.55 . 1.76 0.28 4.5325e-01 17035 1 1 1 1 21 ARG HG2 1.51 . 1.57 0.27 8.2414e-01 17035 1 1 1 1 21 ARG HG3 1.51 . 1.54 0.29 9.1761e-01 17035 1 1 1 1 21 ARG HD2 3.06 . 3.12 0.24 8.0259e-01 17035 1 1 1 1 21 ARG HD3 3.06 . 3.1 0.26 8.7773e-01 17035 1 1 1 1 21 ARG HE 6.77 . 7.4 0.63 3.1731e-01 17035 1 1 1 1 21 ARG N 121.5 . 120.8 3.68 8.4914e-01 17035 1 1 1 1 21 ARG NE 109.6 A 84.63 1.68 5.7219e-50 17035 1 1 1 1 27 ARG C 177.9 . 176.41 2.03 4.6295e-01 17035 1 1 1 1 27 ARG CA 58.0 . 56.77 2.31 5.9440e-01 17035 1 1 1 1 27 ARG CB 29.7 . 30.7 1.83 5.8476e-01 17035 1 1 1 1 27 ARG CG 26.4 . 27.21 1.2 4.9968e-01 17035 1 1 1 1 27 ARG CD 42.6 . 43.16 0.88 5.2454e-01 17035 1 1 1 1 27 ARG H 7.93 . 8.24 0.61 6.1132e-01 17035 1 1 1 1 27 ARG HA 4.19 . 4.3 0.46 8.1100e-01 17035 1 1 1 1 27 ARG HB2 2.20 . 1.79 0.27 1.2888e-01 17035 1 1 1 1 27 ARG HB3 2.11 . 1.76 0.28 2.1130e-01 17035 1 1 1 1 27 ARG HG2 1.95 . 1.57 0.27 1.5931e-01 17035 1 1 1 1 27 ARG HG3 1.52 . 1.54 0.29 9.4502e-01 17035 1 1 1 1 27 ARG HD2 3.47 . 3.12 0.24 1.4475e-01 17035 1 1 1 1 27 ARG HD3 3.03 . 3.1 0.26 7.8775e-01 17035 1 1 1 1 27 ARG HE 8.86 . 7.4 0.63 2.0479e-02 17035 1 1 1 1 27 ARG N 120.2 . 120.8 3.68 8.7048e-01 17035 1 1 1 1 27 ARG NE 111.5 A 84.63 1.68 1.4059e-57 17035 1 1 1 1 33 ARG C 177.9 . 176.41 2.03 4.6295e-01 17035 1 1 1 1 33 ARG CA 58.2 . 56.77 2.31 5.3589e-01 17035 1 1 1 1 33 ARG CB 29.7 . 30.7 1.83 5.8476e-01 17035 1 1 1 1 33 ARG CG 28.4 . 27.21 1.2 3.2136e-01 17035 1 1 1 1 33 ARG CD 43.3 . 43.16 0.88 8.7360e-01 17035 1 1 1 1 33 ARG H 8.08 . 8.24 0.61 7.9309e-01 17035 1 1 1 1 33 ARG HA 4.02 . 4.3 0.46 5.4273e-01 17035 1 1 1 1 33 ARG HB2 1.97 . 1.79 0.27 5.0499e-01 17035 1 1 1 1 33 ARG HB3 1.85 . 1.76 0.28 7.4789e-01 17035 1 1 1 1 33 ARG HG2 1.91 . 1.57 0.27 2.0794e-01 17035 1 1 1 1 33 ARG HG3 1.64 . 1.54 0.29 7.3022e-01 17035 1 1 1 1 33 ARG HD2 3.18 . 3.12 0.24 8.0259e-01 17035 1 1 1 1 33 ARG HD3 3.18 . 3.1 0.26 7.5832e-01 17035 1 1 1 1 33 ARG HE 7.34 . 7.4 0.63 9.2413e-01 17035 1 1 1 1 33 ARG N 116.8 . 120.8 3.68 2.7706e-01 17035 1 1 1 1 33 ARG NE 110.1 A 84.63 1.68 6.4366e-52 17035 1 1 1 1 49 ARG C 178.9 . 176.41 2.03 2.1997e-01 17035 1 1 1 1 49 ARG CA 59.8 . 56.77 2.31 1.8963e-01 17035 1 1 1 1 49 ARG CB 30.1 . 30.7 1.83 7.4301e-01 17035 1 1 1 1 49 ARG CG 27.7 . 27.21 1.2 6.8303e-01 17035 1 1 1 1 49 ARG CD 43.0 . 43.16 0.88 8.5573e-01 17035 1 1 1 1 49 ARG H 8.47 . 8.24 0.61 7.0614e-01 17035 1 1 1 1 49 ARG HA 3.75 . 4.3 0.46 2.3183e-01 17035 1 1 1 1 49 ARG HB2 2.05 . 1.79 0.27 3.3557e-01 17035 1 1 1 1 49 ARG HB3 1.79 . 1.76 0.28 9.1468e-01 17035 1 1 1 1 49 ARG HG2 1.59 . 1.57 0.27 9.4095e-01 17035 1 1 1 1 49 ARG HG3 1.54 . 1.54 0.29 1.0000e+00 17035 1 1 1 1 49 ARG HD2 3.25 . 3.12 0.24 5.8805e-01 17035 1 1 1 1 49 ARG HD3 3.04 . 3.1 0.26 8.1749e-01 17035 1 1 1 1 49 ARG HE 7.96 . 7.4 0.63 3.7406e-01 17035 1 1 1 1 49 ARG N 119.0 . 120.8 3.68 6.2475e-01 17035 1 1 1 1 49 ARG NE 108.6 A 84.63 1.68 3.4708e-46 17035 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 4 ARG ARG 0.71 17035 1 1 1 1 4 ARG GLY 0.16 17035 1 1 1 1 4 ARG LYS 0.12 17035 1 1 1 1 21 ARG GLY 0.61 17035 1 1 1 1 21 ARG ARG 0.37 17035 1 1 1 1 21 ARG LYS 0.01 17035 1 1 1 1 27 ARG ARG 0.57 17035 1 1 1 1 27 ARG LYS 0.35 17035 1 1 1 1 27 ARG LEU 0.03 17035 1 1 1 1 27 ARG GLY 0.02 17035 1 1 1 1 33 ARG ARG 0.72 17035 1 1 1 1 33 ARG LYS 0.14 17035 1 1 1 1 33 ARG GLY 0.11 17035 1 1 1 1 49 ARG ARG 0.77 17035 1 1 1 1 49 ARG LYS 0.13 17035 1 1 1 1 49 ARG GLY 0.08 17035 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17035 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 12-10-2011 _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 17035 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17035 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17035 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17035 _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_