data_AVS_bmrb_pdb_report_50541 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 50541 _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 1 153 TRP Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 50541 1 1 1 1 194 ARG Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 50541 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 1 153 TRP C 182.7 A 176.12 2.01 1.0617e-03 50541 1 1 1 1 153 TRP CA 62.9 . 57.66 2.58 4.2254e-02 50541 1 1 1 1 153 TRP CB 28.6 . 30.01 2.01 4.8300e-01 50541 1 1 1 1 153 TRP CD1 129.9 . 126.51 1.83 6.3960e-02 50541 1 1 1 1 153 TRP CD2 129.9 . 127.57 1.55 1.3278e-01 50541 1 1 1 1 153 TRP N 119.3 . 121.68 4.18 5.6910e-01 50541 1 1 1 1 194 ARG C 178.1 . 176.41 2.03 4.0512e-01 50541 1 1 1 1 194 ARG CA 60.1 . 56.77 2.31 1.4943e-01 50541 1 1 1 1 194 ARG CB 31.4 . 30.7 1.83 7.0208e-01 50541 1 1 1 1 194 ARG CG 28.8 . 27.21 1.2 1.8517e-01 50541 1 1 1 1 194 ARG CD 43.8 . 43.16 0.88 4.6706e-01 50541 1 1 1 1 194 ARG CZ 152.9 A 159.97 2.95 1.6548e-02 50541 1 1 1 1 194 ARG N 116.3 . 120.8 3.68 2.2140e-01 50541 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 1 153 TRP CYS 0.89 50541 1 1 1 1 153 TRP TRP 0.1 50541 1 1 1 1 194 ARG CYS 0.72 50541 1 1 1 1 194 ARG GLY 0.21 50541 1 1 1 1 194 ARG ARG 0.05 50541 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 50541 _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 50541 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 50541 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 50541 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 50541 _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_