data_AVS_bmrb_pdb_report_6342 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6342 _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 6342 1 1 1 1 31 CYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6342 1 1 1 1 77 HIS 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 6342 1 1 1 1 31 CYS C 181.71 M 174.78 1.99 4.9692e-04 6342 1 1 1 1 31 CYS CA 55.80 . 57.43 3.41 6.3265e-01 6342 1 1 1 1 31 CYS CB 29.50 . 34.15 6.77 4.9218e-01 6342 1 1 1 1 31 CYS H 7.44 . 8.42 0.66 1.3758e-01 6342 1 1 1 1 31 CYS HA 4.84 . 4.73 0.57 8.4697e-01 6342 1 1 1 1 31 CYS HB2 3.02 . 2.95 0.43 8.7068e-01 6342 1 1 1 1 31 CYS HB3 2.97 . 2.98 0.45 9.8227e-01 6342 1 1 1 1 31 CYS N 114.10 . 119.95 4.79 2.2197e-01 6342 1 1 1 1 77 HIS C 177.481 . 175.19 2.14 2.8437e-01 6342 1 1 1 1 77 HIS CA 58.10 . 56.37 2.4 4.7101e-01 6342 1 1 1 1 77 HIS CB 30.10 . 29.95 2.15 9.4438e-01 6342 1 1 1 1 77 HIS CD2 124.70 . 119.84 3.3 1.4082e-01 6342 1 1 1 1 77 HIS CE1 142.20 M 136.05 3.58 8.5819e-02 6342 1 1 1 1 77 HIS H 8.44 . 8.25 0.74 7.9737e-01 6342 1 1 1 1 77 HIS HA 4.38 . 4.62 0.51 6.3793e-01 6342 1 1 1 1 77 HIS HB2 3.90 . 3.12 0.43 6.9685e-02 6342 1 1 1 1 77 HIS HB3 3.75 . 3.11 0.45 1.5496e-01 6342 1 1 1 1 77 HIS HD2 7.05 . 7.08 0.5 9.5216e-01 6342 1 1 1 1 77 HIS HE1 8.67 . 8.08 0.57 3.0063e-01 6342 1 1 1 1 77 HIS N 119.80 . 119.44 4.52 9.3652e-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 6342 1 1 1 1 31 CYS HIS 0.15 6342 1 1 1 1 31 CYS GLN 0.15 6342 1 1 1 1 31 CYS LYS 0.13 6342 1 1 1 1 31 CYS TRP 0.12 6342 1 1 1 1 31 CYS GLU 0.11 6342 1 1 1 1 31 CYS ARG 0.11 6342 1 1 1 1 31 CYS CYS 0.11 6342 1 1 1 1 31 CYS MET 0.05 6342 1 1 1 1 31 CYS LEU 0.01 6342 1 1 1 1 31 CYS ILE 0.01 6342 1 1 1 1 77 HIS CYS 0.53 6342 1 1 1 1 77 HIS TRP 0.32 6342 1 1 1 1 77 HIS HIS 0.14 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6342 _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 6342 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 6342 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6342 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6342 _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_