data_AVS_bmrb_pdb_report_6502 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6502 _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 6502 1 1 1 1 86 HIS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6502 1 1 1 1 76 HIS 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 6502 1 1 1 1 86 HIS C 174.803 . 175.19 2.14 8.5649e-01 6502 1 1 1 1 86 HIS CA 56.600 . 56.37 2.4 9.2365e-01 6502 1 1 1 1 86 HIS CB 29.667 . 29.95 2.15 8.9528e-01 6502 1 1 1 1 86 HIS H 7.560 . 8.25 0.74 3.5111e-01 6502 1 1 1 1 86 HIS HA 4.453 . 4.62 0.51 7.4333e-01 6502 1 1 1 1 86 HIS HB2 2.648 . 3.12 0.43 2.7235e-01 6502 1 1 1 1 86 HIS HB3 2.648 . 3.11 0.45 3.0458e-01 6502 1 1 1 1 86 HIS HD2 8.841 M 7.08 0.5 4.2830e-04 6502 1 1 1 1 86 HIS HE1 6.333 . 8.08 0.57 2.1773e-03 6502 1 1 1 1 86 HIS N 110.686 . 119.44 4.52 5.2779e-02 6502 1 1 1 1 76 HIS C 175.168 . 175.19 2.14 9.9180e-01 6502 1 1 1 1 76 HIS CA 56.064 . 56.37 2.4 8.9854e-01 6502 1 1 1 1 76 HIS CB 30.068 . 29.95 2.15 9.5623e-01 6502 1 1 1 1 76 HIS H 7.234 . 8.25 0.74 1.6976e-01 6502 1 1 1 1 76 HIS HA 4.336 . 4.62 0.51 5.7762e-01 6502 1 1 1 1 76 HIS HB2 3.068 . 3.12 0.43 9.0375e-01 6502 1 1 1 1 76 HIS HB3 2.383 . 3.11 0.45 1.0619e-01 6502 1 1 1 1 76 HIS HD2 8.821 M 7.08 0.5 4.9768e-04 6502 1 1 1 1 76 HIS HE1 6.739 . 8.08 0.57 1.8641e-02 6502 1 1 1 1 76 HIS N 110.270 . 119.44 4.52 4.2483e-02 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 6502 1 1 1 1 86 HIS HIS 0.16 6502 1 1 1 1 86 HIS GLN 0.16 6502 1 1 1 1 86 HIS GLU 0.15 6502 1 1 1 1 86 HIS ARG 0.14 6502 1 1 1 1 86 HIS LYS 0.13 6502 1 1 1 1 86 HIS CYS 0.13 6502 1 1 1 1 86 HIS MET 0.05 6502 1 1 1 1 86 HIS ILE 0.02 6502 1 1 1 1 86 HIS LEU 0.01 6502 1 1 1 1 76 HIS HIS 0.17 6502 1 1 1 1 76 HIS ARG 0.15 6502 1 1 1 1 76 HIS GLN 0.15 6502 1 1 1 1 76 HIS GLU 0.14 6502 1 1 1 1 76 HIS CYS 0.13 6502 1 1 1 1 76 HIS LYS 0.11 6502 1 1 1 1 76 HIS MET 0.08 6502 1 1 1 1 76 HIS ILE 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6502 _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 6502 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 6502 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6502 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6502 _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_