data_AVS_bmrb_pdb_report_7178 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7178 _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 7178 1 1 1 1 88 ASN 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 7178 1 1 1 1 88 ASN CA 54.4 . 53.43 1.94 6.1707e-01 7178 1 1 1 1 88 ASN CB 37.1 . 38.66 1.78 3.8081e-01 7178 1 1 1 1 88 ASN H 7.83 . 8.37 0.65 4.0610e-01 7178 1 1 1 1 88 ASN HA 4.25 . 4.7 0.39 2.4856e-01 7178 1 1 1 1 88 ASN HB2 2.71 . 2.8 0.34 7.9124e-01 7178 1 1 1 1 88 ASN HB3 3.12 . 2.78 0.34 3.1731e-01 7178 1 1 1 1 88 ASN HD21 7.81 . 7.27 0.52 2.9906e-01 7178 1 1 1 1 88 ASN HD22 7.19 . 7.2 0.52 9.8466e-01 7178 1 1 1 1 88 ASN N 116.2 . 119.13 4.42 5.0740e-01 7178 1 1 1 1 88 ASN ND2 32.2 M 112.83 2.6 0.0000e+00 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 7178 1 1 1 1 88 ASN ASN 0.44 7178 1 1 1 1 88 ASN GLU 0.21 7178 1 1 1 1 88 ASN PHE 0.1 7178 1 1 1 1 88 ASN MET 0.09 7178 1 1 1 1 88 ASN ASP 0.07 7178 1 1 1 1 88 ASN LYS 0.03 7178 1 1 1 1 88 ASN ILE 0.02 7178 1 1 1 1 88 ASN LEU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7178 _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 7178 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 7178 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7178 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7178 _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_