data_AVS_bmrb_pdb_report_6284 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6284 _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 6284 1 1 1 1 59 CYS Anomalous Consistent Consistent Anomalous Duplicate Duplicate . . 6284 1 1 1 1 62 GLN Anomalous Consistent Consistent Duplicate Anomalous Duplicate . . 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 6284 1 1 1 1 59 CYS C 177.4 . 174.78 1.99 1.8798e-01 6284 1 1 1 1 59 CYS CA 63.6 D 57.43 3.41 7.0391e-02 6284 1 1 1 1 59 CYS CB 27.4 D 34.15 6.77 3.1874e-01 6284 1 1 1 1 59 CYS H 8.19 D 8.42 0.66 7.2748e-01 6284 1 1 1 1 59 CYS HA 3.98 D 4.73 0.57 1.8824e-01 6284 1 1 1 1 59 CYS HB2 3.00 . 2.95 0.43 9.0743e-01 6284 1 1 1 1 59 CYS HB3 2.73 . 2.98 0.45 5.7851e-01 6284 1 1 1 1 59 CYS HG 2.82 M 1.66 0.48 1.5663e-02 6284 1 1 1 1 59 CYS N 119.9 D 119.95 4.79 9.9167e-01 6284 1 1 1 1 62 GLN C 170.2 M 176.39 1.96 1.5877e-03 6284 1 1 1 1 62 GLN CA 53.0 . 56.62 2.19 9.8337e-02 6284 1 1 1 1 62 GLN H 7.15 D 8.22 0.62 8.4382e-02 6284 1 1 1 1 62 GLN HA 4.59 D 4.28 0.44 4.8109e-01 6284 1 1 1 1 62 GLN HB2 2.03 . 2.05 0.28 9.4306e-01 6284 1 1 1 1 62 GLN HB3 1.87 . 2.04 0.29 5.5774e-01 6284 1 1 1 1 62 GLN HG2 2.26 . 2.32 0.29 8.3609e-01 6284 1 1 1 1 62 GLN HG3 2.26 . 2.32 0.29 8.3609e-01 6284 1 1 1 1 62 GLN HE21 7.39 D 7.17 0.46 6.3246e-01 6284 1 1 1 1 62 GLN HE22 6.65 D 7.07 0.49 3.9137e-01 6284 1 1 1 1 62 GLN N 121.3 D 119.92 4.01 7.3074e-01 6284 1 1 1 1 62 GLN NE2 111.0 . 111.81 2.2 7.1274e-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 6284 1 1 1 1 59 CYS PRO 0.49 6284 1 1 1 1 59 CYS ILE 0.39 6284 1 1 1 1 59 CYS CYS 0.06 6284 1 1 1 1 59 CYS TRP 0.01 6284 1 1 1 1 59 CYS ARG 0.01 6284 1 1 1 1 59 CYS VAL 0.01 6284 1 1 1 1 62 GLN ALA 0.26 6284 1 1 1 1 62 GLN ASN 0.23 6284 1 1 1 1 62 GLN ASP 0.13 6284 1 1 1 1 62 GLN LEU 0.06 6284 1 1 1 1 62 GLN CYS 0.05 6284 1 1 1 1 62 GLN MET 0.05 6284 1 1 1 1 62 GLN HIS 0.04 6284 1 1 1 1 62 GLN ARG 0.02 6284 1 1 1 1 62 GLN GLN 0.02 6284 1 1 1 1 62 GLN LYS 0.02 6284 1 1 1 1 62 GLN TRP 0.02 6284 1 1 1 1 62 GLN TYR 0.01 6284 1 1 1 1 62 GLN PHE 0.01 6284 1 1 1 1 62 GLN GLU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6284 _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 6284 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 6284 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6284 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6284 _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_