data_AVS_bmrb_pdb_report_6468 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6468 _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 6468 1 1 1 1 93 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6468 1 1 1 1 144 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6468 1 1 1 1 344 TYR Anomalous Consistent Consistent Consistent Anomalous 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 6468 1 1 1 1 93 THR C 184.431 M 174.6 1.8 4.7169e-08 6468 1 1 1 1 93 THR CA 56.761 . 62.15 2.72 4.7563e-02 6468 1 1 1 1 93 THR CB 71.558 . 69.64 1.7 2.5922e-01 6468 1 1 1 1 93 THR H 8.956 . 8.27 0.62 2.6853e-01 6468 1 1 1 1 93 THR N 113.048 . 115.7 5.05 5.9948e-01 6468 1 1 1 1 144 HIS C 180.898 M 175.19 2.14 7.6466e-03 6468 1 1 1 1 144 HIS CA 56.63 . 56.37 2.4 9.1373e-01 6468 1 1 1 1 144 HIS CB 30.09 . 29.95 2.15 9.4808e-01 6468 1 1 1 1 144 HIS H 9.506 . 8.25 0.74 8.9640e-02 6468 1 1 1 1 144 HIS N 119.267 . 119.44 4.52 9.6947e-01 6468 1 1 1 1 344 TYR C 181.3 M 175.39 1.89 1.7661e-03 6468 1 1 1 1 344 TYR CA 61.39 . 58.02 2.64 2.0177e-01 6468 1 1 1 1 344 TYR CB 37.112 . 39.16 2.23 3.5842e-01 6468 1 1 1 1 344 TYR H 8.819 . 8.37 0.75 5.4940e-01 6468 1 1 1 1 344 TYR N 124.222 . 120.79 4.69 4.6431e-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 6468 1 1 1 1 93 THR THR 0.99 6468 1 1 1 1 144 HIS HIS 0.14 6468 1 1 1 1 144 HIS ARG 0.13 6468 1 1 1 1 144 HIS GLU 0.13 6468 1 1 1 1 144 HIS TRP 0.13 6468 1 1 1 1 144 HIS GLN 0.13 6468 1 1 1 1 144 HIS CYS 0.11 6468 1 1 1 1 144 HIS LYS 0.09 6468 1 1 1 1 144 HIS MET 0.06 6468 1 1 1 1 144 HIS ILE 0.01 6468 1 1 1 1 344 TYR ILE 0.39 6468 1 1 1 1 344 TYR CYS 0.23 6468 1 1 1 1 344 TYR TYR 0.14 6468 1 1 1 1 344 TYR PHE 0.09 6468 1 1 1 1 344 TYR GLU 0.07 6468 1 1 1 1 344 TYR VAL 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6468 _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 6468 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 6468 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6468 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6468 _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_