data_AVS_bmrb_pdb_report_16955 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16955 _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 16 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16955 1 1 1 1 48 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16955 1 1 1 1 69 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16955 1 1 1 1 75 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 16955 1 1 1 2 1 CA UNSUPPORTED . . . . . . . 16955 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 16 ARG C 179.200 . 176.41 2.03 1.6932e-01 16955 1 1 1 1 16 ARG CA 59.270 . 56.77 2.31 2.7914e-01 16955 1 1 1 1 16 ARG CB 30.110 . 30.7 1.83 7.4715e-01 16955 1 1 1 1 16 ARG CG 27.560 . 27.21 1.2 7.7054e-01 16955 1 1 1 1 16 ARG CD 43.400 . 43.16 0.88 7.8506e-01 16955 1 1 1 1 16 ARG H 8.237 . 8.24 0.61 9.9608e-01 16955 1 1 1 1 16 ARG HA 4.084 . 4.3 0.46 6.3867e-01 16955 1 1 1 1 16 ARG HB2 1.893 . 1.79 0.27 7.0285e-01 16955 1 1 1 1 16 ARG HB3 1.893 . 1.76 0.28 6.3479e-01 16955 1 1 1 1 16 ARG HG2 1.770 . 1.57 0.27 4.5885e-01 16955 1 1 1 1 16 ARG HG3 1.601 . 1.54 0.29 8.3340e-01 16955 1 1 1 1 16 ARG HD2 3.217 . 3.12 0.24 6.8609e-01 16955 1 1 1 1 16 ARG HD3 3.217 . 3.1 0.26 6.5271e-01 16955 1 1 1 1 16 ARG HH11 7.341 . 6.91 0.46 3.4878e-01 16955 1 1 1 1 16 ARG HH12 7.341 . 6.8 0.33 1.0113e-01 16955 1 1 1 1 16 ARG HH21 7.202 . 6.81 0.48 4.1412e-01 16955 1 1 1 1 16 ARG HH22 7.202 . 6.76 0.36 2.1953e-01 16955 1 1 1 1 16 ARG N 120.716 . 120.8 3.68 9.8179e-01 16955 1 1 1 1 16 ARG NH1 114.200 A 73.82 4.62 2.3258e-18 16955 1 1 1 1 16 ARG NH2 114.200 A 73.26 3.32 6.1428e-35 16955 1 1 1 1 48 ARG C 178.100 . 176.41 2.03 4.0512e-01 16955 1 1 1 1 48 ARG CA 59.320 . 56.77 2.31 2.6964e-01 16955 1 1 1 1 48 ARG CB 30.280 . 30.7 1.83 8.1847e-01 16955 1 1 1 1 48 ARG CG 27.920 . 27.21 1.2 5.5407e-01 16955 1 1 1 1 48 ARG CD 43.660 . 43.16 0.88 5.6991e-01 16955 1 1 1 1 48 ARG H 7.849 . 8.24 0.61 5.2153e-01 16955 1 1 1 1 48 ARG HA 3.866 . 4.3 0.46 3.4544e-01 16955 1 1 1 1 48 ARG HB2 1.921 . 1.79 0.27 6.2754e-01 16955 1 1 1 1 48 ARG HB3 1.921 . 1.76 0.28 5.6529e-01 16955 1 1 1 1 48 ARG HG2 1.689 . 1.57 0.27 6.5940e-01 16955 1 1 1 1 48 ARG HG3 1.689 . 1.54 0.29 6.0740e-01 16955 1 1 1 1 48 ARG HD2 3.204 . 3.12 0.24 7.2634e-01 16955 1 1 1 1 48 ARG HD3 3.204 . 3.1 0.26 6.8916e-01 16955 1 1 1 1 48 ARG HH11 7.474 . 6.91 0.46 2.2017e-01 16955 1 1 1 1 48 ARG HH12 7.474 . 6.8 0.33 4.1109e-02 16955 1 1 1 1 48 ARG HH21 7.352 . 6.81 0.48 2.5883e-01 16955 1 1 1 1 48 ARG HH22 7.352 . 6.76 0.36 1.0008e-01 16955 1 1 1 1 48 ARG N 115.304 . 120.8 3.68 1.3531e-01 16955 1 1 1 1 48 ARG NH1 114.500 A 73.82 4.62 1.3063e-18 16955 1 1 1 1 48 ARG NH2 114.500 A 73.26 3.32 1.9931e-35 16955 1 1 1 1 69 ARG C 176.200 . 176.41 2.03 9.1761e-01 16955 1 1 1 1 69 ARG CA 55.720 . 56.77 2.31 6.4944e-01 16955 1 1 1 1 69 ARG CB 27.930 . 30.7 1.83 1.3011e-01 16955 1 1 1 1 69 ARG CG 26.050 . 27.21 1.2 3.3371e-01 16955 1 1 1 1 69 ARG CD 42.050 . 43.16 0.88 2.0718e-01 16955 1 1 1 1 69 ARG H 7.463 . 8.24 0.61 2.0274e-01 16955 1 1 1 1 69 ARG HA 3.893 . 4.3 0.46 3.7627e-01 16955 1 1 1 1 69 ARG HB2 1.538 . 1.79 0.27 3.5065e-01 16955 1 1 1 1 69 ARG HB3 1.313 . 1.76 0.28 1.1039e-01 16955 1 1 1 1 69 ARG HG2 1.907 . 1.57 0.27 2.1198e-01 16955 1 1 1 1 69 ARG HG3 1.907 . 1.54 0.29 2.0569e-01 16955 1 1 1 1 69 ARG HD2 2.940 . 3.12 0.24 4.5325e-01 16955 1 1 1 1 69 ARG HD3 2.940 . 3.1 0.26 5.3830e-01 16955 1 1 1 1 69 ARG HH11 7.398 . 6.91 0.46 2.8875e-01 16955 1 1 1 1 69 ARG HH12 7.398 . 6.8 0.33 6.9968e-02 16955 1 1 1 1 69 ARG HH21 7.269 . 6.81 0.48 3.3895e-01 16955 1 1 1 1 69 ARG HH22 7.269 . 6.76 0.36 1.5739e-01 16955 1 1 1 1 69 ARG N 117.971 . 120.8 3.68 4.4204e-01 16955 1 1 1 1 69 ARG NH1 114.700 A 73.82 4.62 8.8715e-19 16955 1 1 1 1 69 ARG NH2 114.700 A 73.26 3.32 9.3691e-36 16955 1 1 1 1 75 ARG C 175.800 . 176.41 2.03 7.6380e-01 16955 1 1 1 1 75 ARG CA 54.820 . 56.77 2.31 3.9858e-01 16955 1 1 1 1 75 ARG CB 30.660 . 30.7 1.83 9.8256e-01 16955 1 1 1 1 75 ARG CG 27.040 . 27.21 1.2 8.8734e-01 16955 1 1 1 1 75 ARG CD 42.830 . 43.16 0.88 7.0766e-01 16955 1 1 1 1 75 ARG H 8.241 . 8.24 0.61 9.9869e-01 16955 1 1 1 1 75 ARG HA 4.521 . 4.3 0.46 6.3092e-01 16955 1 1 1 1 75 ARG HB2 1.996 . 1.79 0.27 4.4549e-01 16955 1 1 1 1 75 ARG HB3 1.798 . 1.76 0.28 8.9205e-01 16955 1 1 1 1 75 ARG HG2 1.490 . 1.57 0.27 7.6700e-01 16955 1 1 1 1 75 ARG HG3 1.286 . 1.54 0.29 3.8111e-01 16955 1 1 1 1 75 ARG HD2 3.268 . 3.12 0.24 5.3745e-01 16955 1 1 1 1 75 ARG HD3 3.072 . 3.1 0.26 9.1424e-01 16955 1 1 1 1 75 ARG HE 10.860 S 7.4 0.63 3.9726e-08 16955 1 1 1 1 75 ARG HH11 6.550 . 6.91 0.46 4.3386e-01 16955 1 1 1 1 75 ARG HH12 6.550 . 6.8 0.33 4.4871e-01 16955 1 1 1 1 75 ARG HH21 6.680 . 6.81 0.48 7.8652e-01 16955 1 1 1 1 75 ARG HH22 6.680 . 6.76 0.36 8.2414e-01 16955 1 1 1 1 75 ARG N 117.062 . 120.8 3.68 3.0974e-01 16955 1 1 1 1 75 ARG NH1 114.800 A 73.82 4.62 7.3061e-19 16955 1 1 1 1 75 ARG NH2 114.800 A 73.26 3.32 6.4149e-36 16955 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 16 ARG CYS 0.45 16955 1 1 1 1 16 ARG ARG 0.42 16955 1 1 1 1 16 ARG GLY 0.07 16955 1 1 1 1 16 ARG LYS 0.03 16955 1 1 1 1 48 ARG CYS 0.46 16955 1 1 1 1 48 ARG ARG 0.38 16955 1 1 1 1 48 ARG GLY 0.1 16955 1 1 1 1 48 ARG LYS 0.03 16955 1 1 1 1 69 ARG LEU 0.33 16955 1 1 1 1 69 ARG LYS 0.29 16955 1 1 1 1 69 ARG CYS 0.24 16955 1 1 1 1 69 ARG ARG 0.12 16955 1 1 1 1 75 ARG ARG 0.54 16955 1 1 1 1 75 ARG CYS 0.32 16955 1 1 1 1 75 ARG LYS 0.08 16955 1 1 1 1 75 ARG GLY 0.03 16955 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16955 _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 16955 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16955 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16955 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16955 _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_