data_AVS_bmrb_pdb_report_6024 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6024 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 44 MET Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6024 1 1 1 1 84 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6024 1 1 1 1 263 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6024 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 44 MET C 177.161 . 176.3 2.13 6.8605e-01 6024 1 1 1 1 44 MET CA 55.924 . 56.16 2.34 9.1967e-01 6024 1 1 1 1 44 MET CB 30.661 . 32.9 2.23 3.1536e-01 6024 1 1 1 1 44 MET H 10.514 A 8.26 0.6 1.7219e-04 6024 1 1 1 1 44 MET N 120.469 . 120.1 3.88 9.2423e-01 6024 1 1 1 1 84 THR C 182.015 A 174.6 1.8 3.7979e-05 6024 1 1 1 1 84 THR CA 63.535 . 62.15 2.72 6.1062e-01 6024 1 1 1 1 84 THR CB 68.831 . 69.64 1.7 6.3416e-01 6024 1 1 1 1 84 THR H 9.612 . 8.27 0.62 3.0425e-02 6024 1 1 1 1 84 THR N 113.343 . 115.7 5.05 6.4069e-01 6024 1 1 1 1 263 TRP C 181.833 A 176.1 1.89 2.4187e-03 6024 1 1 1 1 263 TRP CA 61.933 . 57.71 2.65 1.1103e-01 6024 1 1 1 1 263 TRP CB 29.662 . 30.16 2.19 8.2011e-01 6024 1 1 1 1 263 TRP H 7.290 . 8.35 0.84 2.0698e-01 6024 1 1 1 1 263 TRP N 128.641 . 121.87 4.58 1.3930e-01 6024 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 44 MET HIS 0.15 6024 1 1 1 1 44 MET ARG 0.15 6024 1 1 1 1 44 MET CYS 0.13 6024 1 1 1 1 44 MET TRP 0.12 6024 1 1 1 1 44 MET GLU 0.12 6024 1 1 1 1 44 MET GLN 0.11 6024 1 1 1 1 44 MET MET 0.09 6024 1 1 1 1 44 MET LYS 0.07 6024 1 1 1 1 84 THR THR 0.99 6024 1 1 1 1 263 TRP ILE 0.3 6024 1 1 1 1 263 TRP CYS 0.14 6024 1 1 1 1 263 TRP VAL 0.12 6024 1 1 1 1 263 TRP TRP 0.12 6024 1 1 1 1 263 TRP PRO 0.11 6024 1 1 1 1 263 TRP GLU 0.05 6024 1 1 1 1 263 TRP ARG 0.04 6024 1 1 1 1 263 TRP HIS 0.02 6024 1 1 1 1 263 TRP LYS 0.02 6024 1 1 1 1 263 TRP GLN 0.02 6024 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6024 _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.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 6024 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6024 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6024 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6024 _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_