data_AVS_bmrb_pdb_report_6189 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6189 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6189 1 1 1 1 31 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6189 1 1 1 1 75 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6189 1 1 1 1 31 ARG CA 54.102 . 56.95 2.41 2.3731e-01 6189 1 1 1 1 31 ARG CB 28.995 . 30.66 1.77 3.4687e-01 6189 1 1 1 1 31 ARG CG 25.188 . 27.31 1.65 1.9842e-01 6189 1 1 1 1 31 ARG CD 43.293 . 43.1 1.1 8.6072e-01 6189 1 1 1 1 31 ARG H 8.999 . 8.24 0.6 2.0587e-01 6189 1 1 1 1 31 ARG HA 3.971 . 4.27 0.44 4.9679e-01 6189 1 1 1 1 31 ARG HB2 0.719 S 1.79 0.28 1.3077e-04 6189 1 1 1 1 31 ARG HB3 -0.139 M 1.78 0.28 7.2029e-12 6189 1 1 1 1 31 ARG HG2 1.273 . 1.58 0.27 2.5552e-01 6189 1 1 1 1 31 ARG HG3 1.120 . 1.58 0.27 8.8436e-02 6189 1 1 1 1 31 ARG HD2 2.892 . 3.13 0.23 3.0077e-01 6189 1 1 1 1 31 ARG HD3 2.325 S 3.13 0.22 2.5311e-04 6189 1 1 1 1 31 ARG N 128.726 . 120.61 3.9 3.7432e-02 6189 1 1 1 1 75 PHE CA 58.860 . 58.25 2.73 8.2319e-01 6189 1 1 1 1 75 PHE CB 40.049 . 39.95 2.04 9.6129e-01 6189 1 1 1 1 75 PHE CD1 131.511 . 131.38 1.38 9.2437e-01 6189 1 1 1 1 75 PHE CE1 130.779 . 130.48 1.29 8.1671e-01 6189 1 1 1 1 75 PHE H 8.018 . 8.42 0.74 5.8696e-01 6189 1 1 1 1 75 PHE HA 2.500 M 4.62 0.58 2.5701e-04 6189 1 1 1 1 75 PHE HB2 2.267 . 2.99 0.37 5.0695e-02 6189 1 1 1 1 75 PHE HB3 2.094 . 2.97 0.38 2.1152e-02 6189 1 1 1 1 75 PHE HD2 5.801 . 6.89 0.86 2.0541e-01 6189 1 1 1 1 75 PHE HE2 6.997 . 6.94 0.86 9.4716e-01 6189 1 1 1 1 75 PHE N 120.918 . 120.69 4.18 9.5650e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6189 1 1 1 1 31 ARG LYS 0.29 6189 1 1 1 1 31 ARG ARG 0.29 6189 1 1 1 1 31 ARG LEU 0.29 6189 1 1 1 1 31 ARG GLY 0.1 6189 1 1 1 1 75 PHE PHE 0.54 6189 1 1 1 1 75 PHE TYR 0.45 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6189 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 6189 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 6189 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6189 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6189 _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_