data_AVS_bmrb_pdb_report_6833 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6833 _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 6833 1 1 1 1 63 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6833 1 1 1 1 79 ASP Anomalous Consistent Consistent Consistent Consistent 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 6833 1 1 1 1 63 PHE CA 58.571 . 58.25 2.73 9.0640e-01 6833 1 1 1 1 63 PHE CB 38.763 . 39.95 2.04 5.6066e-01 6833 1 1 1 1 63 PHE H 5.574 M 8.42 0.74 1.2009e-04 6833 1 1 1 1 63 PHE N 110.368 . 120.69 4.18 1.3535e-02 6833 1 1 1 1 79 ASP CA 53.263 . 54.52 2.1 5.4946e-01 6833 1 1 1 1 79 ASP CB 37.766 . 40.7 1.67 7.8937e-02 6833 1 1 1 1 79 ASP H 8.750 . 8.33 0.57 4.6122e-01 6833 1 1 1 1 79 ASP N 103.195 M 120.73 4.2 2.9799e-05 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 6833 1 1 1 1 63 PHE TYR 0.27 6833 1 1 1 1 63 PHE PHE 0.24 6833 1 1 1 1 63 PHE CYS 0.21 6833 1 1 1 1 63 PHE ILE 0.15 6833 1 1 1 1 63 PHE GLU 0.04 6833 1 1 1 1 63 PHE ASP 0.02 6833 1 1 1 1 63 PHE LEU 0.01 6833 1 1 1 1 79 ASP ASN 0.45 6833 1 1 1 1 79 ASP CYS 0.21 6833 1 1 1 1 79 ASP ASP 0.09 6833 1 1 1 1 79 ASP TYR 0.08 6833 1 1 1 1 79 ASP PHE 0.05 6833 1 1 1 1 79 ASP GLU 0.04 6833 1 1 1 1 79 ASP MET 0.02 6833 1 1 1 1 79 ASP LEU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6833 _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 6833 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 6833 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6833 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6833 _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_