data_AVS_bmrb_pdb_report_25024 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25024 _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 59 ALA Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25024 1 1 1 1 79 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25024 1 1 1 1 85 ILE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25024 1 1 1 1 125 ALA Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25024 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 59 ALA CA 54.926 . 53.14 1.98 3.6705e-01 25024 1 1 1 1 59 ALA H 7.984 . 8.2 0.6 7.1885e-01 25024 1 1 1 1 59 ALA HA 7.838 A 4.26 0.44 4.2290e-16 25024 1 1 1 1 59 ALA N 124.841 . 123.23 3.54 6.4905e-01 25024 1 1 1 1 79 ASN CA 56.919 . 53.54 1.88 7.2282e-02 25024 1 1 1 1 79 ASN H 8.573 . 8.34 0.63 7.1150e-01 25024 1 1 1 1 79 ASN HA 0.896 A 4.67 0.36 1.0305e-25 25024 1 1 1 1 79 ASN N 117.684 . 118.93 4.03 7.5718e-01 25024 1 1 1 1 85 ILE CA 65.355 . 61.61 2.68 1.6230e-01 25024 1 1 1 1 85 ILE H 7.946 . 8.28 0.68 6.2330e-01 25024 1 1 1 1 85 ILE HA 1.037 A 4.18 0.56 1.9942e-08 25024 1 1 1 1 85 ILE N 114.653 . 121.46 4.28 1.1174e-01 25024 1 1 1 1 125 ALA CA 50.457 . 53.14 1.98 1.7540e-01 25024 1 1 1 1 125 ALA H 7.804 . 8.2 0.6 5.0925e-01 25024 1 1 1 1 125 ALA HA 7.773 A 4.26 0.44 1.4156e-15 25024 1 1 1 1 125 ALA N 124.972 . 123.23 3.54 6.2266e-01 25024 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 59 ALA ASP 0.21 25024 1 1 1 1 59 ALA LEU 0.17 25024 1 1 1 1 59 ALA MET 0.13 25024 1 1 1 1 59 ALA ASN 0.1 25024 1 1 1 1 59 ALA GLN 0.1 25024 1 1 1 1 59 ALA ALA 0.08 25024 1 1 1 1 59 ALA GLU 0.05 25024 1 1 1 1 59 ALA PHE 0.05 25024 1 1 1 1 59 ALA TYR 0.04 25024 1 1 1 1 59 ALA SER 0.01 25024 1 1 1 1 79 ASN GLN 0.16 25024 1 1 1 1 79 ASN GLU 0.16 25024 1 1 1 1 79 ASN MET 0.13 25024 1 1 1 1 79 ASN PHE 0.12 25024 1 1 1 1 79 ASN TYR 0.12 25024 1 1 1 1 79 ASN LEU 0.1 25024 1 1 1 1 79 ASN SER 0.07 25024 1 1 1 1 79 ASN ASP 0.05 25024 1 1 1 1 79 ASN ILE 0.01 25024 1 1 1 1 79 ASN ASN 0.01 25024 1 1 1 1 79 ASN ALA 0.01 25024 1 1 1 1 85 ILE VAL 0.26 25024 1 1 1 1 85 ILE SER 0.24 25024 1 1 1 1 85 ILE THR 0.19 25024 1 1 1 1 85 ILE PRO 0.15 25024 1 1 1 1 85 ILE ILE 0.13 25024 1 1 1 1 125 ALA PRO 0.71 25024 1 1 1 1 125 ALA ALA 0.14 25024 1 1 1 1 125 ALA ASN 0.08 25024 1 1 1 1 125 ALA ASP 0.02 25024 1 1 1 1 125 ALA LEU 0.01 25024 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25024 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 25024 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25024 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25024 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25024 _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_