data_AVS_bmrb_pdb_report_6071 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6071 _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 6071 1 1 1 1 48 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6071 1 1 1 1 52 CYS 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 6071 1 1 1 1 48 PHE C 176.8 . 175.49 2.13 5.3854e-01 6071 1 1 1 1 48 PHE CA 58.8 . 58.25 2.73 8.4033e-01 6071 1 1 1 1 48 PHE CB 34.7 . 39.95 2.04 1.0067e-02 6071 1 1 1 1 48 PHE H 6.97 . 8.42 0.74 5.0059e-02 6071 1 1 1 1 48 PHE HA 2.36 M 4.62 0.58 9.7572e-05 6071 1 1 1 1 48 PHE HB2 1.92 . 2.99 0.37 3.8293e-03 6071 1 1 1 1 48 PHE HB3 0.31 M 2.97 0.38 2.5596e-12 6071 1 1 1 1 48 PHE N 122.0 . 120.69 4.18 7.5398e-01 6071 1 1 1 1 52 CYS C 173.7 . 174.78 1.99 5.8733e-01 6071 1 1 1 1 52 CYS CA 58.2 . 57.43 3.41 8.2135e-01 6071 1 1 1 1 52 CYS CB 23.9 . 34.15 6.77 1.3002e-01 6071 1 1 1 1 52 CYS H 6.51 . 8.42 0.66 3.8044e-03 6071 1 1 1 1 52 CYS HA 3.03 . 4.73 0.57 2.8595e-03 6071 1 1 1 1 52 CYS HB2 1.57 . 2.95 0.43 1.3306e-03 6071 1 1 1 1 52 CYS HB3 -0.79 M 2.98 0.45 5.3936e-17 6071 1 1 1 1 52 CYS N 118.5 . 119.95 4.79 7.6211e-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 6071 1 1 1 1 48 PHE CYS 0.26 6071 1 1 1 1 48 PHE GLU 0.16 6071 1 1 1 1 48 PHE LYS 0.12 6071 1 1 1 1 48 PHE GLN 0.11 6071 1 1 1 1 48 PHE MET 0.11 6071 1 1 1 1 48 PHE VAL 0.07 6071 1 1 1 1 48 PHE TYR 0.03 6071 1 1 1 1 48 PHE ILE 0.03 6071 1 1 1 1 48 PHE TRP 0.03 6071 1 1 1 1 48 PHE ARG 0.01 6071 1 1 1 1 48 PHE HIS 0.01 6071 1 1 1 1 48 PHE PHE 0.01 6071 1 1 1 1 52 CYS LYS 0.3 6071 1 1 1 1 52 CYS LEU 0.25 6071 1 1 1 1 52 CYS CYS 0.15 6071 1 1 1 1 52 CYS ILE 0.06 6071 1 1 1 1 52 CYS VAL 0.06 6071 1 1 1 1 52 CYS ARG 0.05 6071 1 1 1 1 52 CYS MET 0.04 6071 1 1 1 1 52 CYS THR 0.03 6071 1 1 1 1 52 CYS GLN 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6071 _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 6071 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 6071 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6071 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6071 _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_