data_AVS_bmrb_pdb_report_19152 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19152 _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 86 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19152 1 1 1 1 87 TYR Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD1 > HA" 1.0000 19152 1 1 1 1 118 ARG Anomalous Consistent Suspicious Consistent Consistent Anomalous "HA > HD2" 0.9912 19152 1 1 1 2 1 FMN UNSUPPORTED . . . . . . . 19152 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 86 ARG C 175.521 . 176.41 2.03 6.6144e-01 19152 1 1 1 1 86 ARG CA 54.547 . 56.77 2.31 3.3588e-01 19152 1 1 1 1 86 ARG CB 32.947 . 30.7 1.83 2.1950e-01 19152 1 1 1 1 86 ARG CG 28.099 . 27.21 1.2 4.5879e-01 19152 1 1 1 1 86 ARG CD 42.095 . 43.16 0.88 2.2619e-01 19152 1 1 1 1 86 ARG H 7.694 . 8.24 0.61 3.7074e-01 19152 1 1 1 1 86 ARG HA 5.776 . 4.3 0.46 1.3334e-03 19152 1 1 1 1 86 ARG HB2 1.561 . 1.79 0.27 3.9636e-01 19152 1 1 1 1 86 ARG HB3 1.328 . 1.76 0.28 1.2287e-01 19152 1 1 1 1 86 ARG HG2 1.621 . 1.57 0.27 8.5018e-01 19152 1 1 1 1 86 ARG HG3 1.403 . 1.54 0.29 6.3663e-01 19152 1 1 1 1 86 ARG HD2 2.940 . 3.12 0.24 4.5325e-01 19152 1 1 1 1 86 ARG HE 6.706 . 7.4 0.63 2.7064e-01 19152 1 1 1 1 86 ARG N 129.319 . 120.8 3.68 2.0616e-02 19152 1 1 1 1 86 ARG NE 113.850 A 84.63 1.68 9.3457e-68 19152 1 1 1 1 87 TYR C 172.904 . 175.4 1.99 2.0974e-01 19152 1 1 1 1 87 TYR CA 55.258 . 58.13 2.51 2.5253e-01 19152 1 1 1 1 87 TYR CB 44.978 . 39.32 2.16 8.8073e-03 19152 1 1 1 1 87 TYR CD1 133.308 . 132.77 1.17 6.4564e-01 19152 1 1 1 1 87 TYR CE1 115.256 . 117.93 1.19 2.4636e-02 19152 1 1 1 1 87 TYR H 8.870 . 8.32 0.73 4.5119e-01 19152 1 1 1 1 87 TYR HA 6.749 A 4.63 0.56 1.5437e-04 19152 1 1 1 1 87 TYR HB2 2.580 . 2.91 0.37 3.7245e-01 19152 1 1 1 1 87 TYR HB3 3.017 . 2.84 0.39 6.4994e-01 19152 1 1 1 1 87 TYR HD1 6.704 . 6.93 0.3 4.5125e-01 19152 1 1 1 1 87 TYR HE1 6.750 . 6.7 0.23 8.2790e-01 19152 1 1 1 1 87 TYR N 118.245 . 120.52 4.2 5.8805e-01 19152 1 1 1 1 118 ARG C 176.859 . 176.41 2.03 8.2495e-01 19152 1 1 1 1 118 ARG CA 56.149 . 56.77 2.31 7.8806e-01 19152 1 1 1 1 118 ARG CB 30.320 . 30.7 1.83 8.3550e-01 19152 1 1 1 1 118 ARG CG 28.560 . 27.21 1.2 2.6059e-01 19152 1 1 1 1 118 ARG CD 43.761 . 43.16 0.88 4.9464e-01 19152 1 1 1 1 118 ARG H 8.682 . 8.24 0.61 4.6870e-01 19152 1 1 1 1 118 ARG HA 3.359 . 4.3 0.46 4.0791e-02 19152 1 1 1 1 118 ARG HB2 1.641 . 1.79 0.27 5.8105e-01 19152 1 1 1 1 118 ARG HB3 1.469 . 1.76 0.28 2.9867e-01 19152 1 1 1 1 118 ARG HG2 1.137 . 1.57 0.27 1.0878e-01 19152 1 1 1 1 118 ARG HG3 1.534 . 1.54 0.29 9.8349e-01 19152 1 1 1 1 118 ARG HD2 3.381 . 3.12 0.24 2.7682e-01 19152 1 1 1 1 118 ARG HD3 3.294 . 3.1 0.26 4.5557e-01 19152 1 1 1 1 118 ARG HE 8.302 . 7.4 0.63 1.5222e-01 19152 1 1 1 1 118 ARG N 128.711 . 120.8 3.68 3.1577e-02 19152 1 1 1 1 118 ARG NE 113.682 A 84.63 1.68 5.3246e-67 19152 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 86 ARG LYS 0.45 19152 1 1 1 1 86 ARG CYS 0.32 19152 1 1 1 1 86 ARG ARG 0.21 19152 1 1 1 1 87 TYR GLY 0.9 19152 1 1 1 1 87 TYR CYS 0.08 19152 1 1 1 1 87 TYR TYR 0.01 19152 1 1 1 1 118 ARG ARG 0.4 19152 1 1 1 1 118 ARG CYS 0.4 19152 1 1 1 1 118 ARG GLY 0.12 19152 1 1 1 1 118 ARG LYS 0.06 19152 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19152 _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 19152 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19152 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19152 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19152 _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_