data_AVS_bmrb_pdb_report_6223 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6223 _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 6223 1 1 1 1 26 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6223 1 1 1 1 64 GLU 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 6223 1 1 1 1 26 TYR C 180.9 M 175.39 1.89 3.5530e-03 6223 1 1 1 1 26 TYR CA 60.5 . 58.02 2.64 3.4753e-01 6223 1 1 1 1 26 TYR CB 38.6 . 39.16 2.23 8.0172e-01 6223 1 1 1 1 26 TYR H 8.34 . 8.37 0.75 9.6809e-01 6223 1 1 1 1 26 TYR HA 3.95 . 4.63 0.56 2.2464e-01 6223 1 1 1 1 26 TYR N 120.6 . 120.79 4.69 9.6769e-01 6223 1 1 1 1 64 GLU C 177.6 . 176.93 2.11 7.5084e-01 6223 1 1 1 1 64 GLU CA 61.2 . 57.42 2.19 8.4343e-02 6223 1 1 1 1 64 GLU CB 25.8 . 30.07 1.84 2.0306e-02 6223 1 1 1 1 64 GLU H 11.96 M 8.34 0.61 2.9487e-09 6223 1 1 1 1 64 GLU HA 3.85 . 4.26 0.43 3.4034e-01 6223 1 1 1 1 64 GLU N 124.3 . 120.68 3.68 3.2527e-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 6223 1 1 1 1 26 TYR ILE 0.33 6223 1 1 1 1 26 TYR TYR 0.22 6223 1 1 1 1 26 TYR PHE 0.2 6223 1 1 1 1 26 TYR CYS 0.19 6223 1 1 1 1 26 TYR GLU 0.03 6223 1 1 1 1 64 GLU ILE 0.43 6223 1 1 1 1 64 GLU CYS 0.15 6223 1 1 1 1 64 GLU PRO 0.13 6223 1 1 1 1 64 GLU ARG 0.08 6223 1 1 1 1 64 GLU LYS 0.07 6223 1 1 1 1 64 GLU TRP 0.03 6223 1 1 1 1 64 GLU VAL 0.02 6223 1 1 1 1 64 GLU LEU 0.02 6223 1 1 1 1 64 GLU GLN 0.01 6223 1 1 1 1 64 GLU HIS 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6223 _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 6223 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 6223 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6223 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6223 _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_