data_AVS_bmrb_pdb_report_6668 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6668 _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 6668 1 1 1 1 6 CYS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 6668 1 1 1 1 7 THR Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 6668 1 1 1 1 8 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 6668 1 1 1 1 9 CYS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 6668 1 1 1 1 10 GLY Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 6668 1 1 1 1 11 TYR Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 6668 1 1 1 1 39 CYS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 6668 1 1 1 1 40 PRO Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 6668 1 1 1 1 41 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 6668 1 1 1 1 42 CYS Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 6668 1 1 1 1 43 GLY Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 6668 1 1 1 1 44 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 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 6668 1 1 1 1 6 CYS N 321 M 119.95 4.79 0.0000e+00 6668 1 1 1 1 7 THR N 283 M 115.7 5.05 0.0000e+00 6668 1 1 1 1 8 ILE N 497 M 121.6 4.72 0.0000e+00 6668 1 1 1 1 9 CYS N 0 M 119.95 4.79 0.0000e+00 6668 1 1 1 1 10 GLY N 223 M 109.91 4.29 0.0000e+00 6668 1 1 1 1 11 TYR N 400 M 120.79 4.69 0.0000e+00 6668 1 1 1 1 39 CYS N 296 M 119.95 4.79 0.0000e+00 6668 1 1 1 1 40 PRO N 277 M 127.4 10.05 4.0897e-50 6668 1 1 1 1 41 LEU N 433 M 121.98 4.07 0.0000e+00 6668 1 1 1 1 42 CYS N -25 M 119.95 4.79 0.0000e+00 6668 1 1 1 1 43 GLY N 220 M 109.91 4.29 0.0000e+00 6668 1 1 1 1 44 VAL N 267 M 121.02 4.96 0.0000e+00 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6668 _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 6668 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 6668 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6668 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6668 _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_