data_AVS_bmrb_pdb_report_25042 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25042 _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 1 102 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25042 1 1 1 2 1 ALA UNSUPPORTED . . . . . . . 25042 1 1 1 2 2 CYS UNSUPPORTED . . . . . . . 25042 1 1 1 2 3 ALA UNSUPPORTED . . . . . . . 25042 1 1 1 2 4 CYS UNSUPPORTED . . . . . . . 25042 1 1 1 2 5 ALA UNSUPPORTED . . . . . . . 25042 1 1 1 2 6 CYS UNSUPPORTED . . . . . . . 25042 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 1 102 ASN CA 50.588 . 53.54 1.88 1.1637e-01 25042 1 1 1 1 102 ASN CB 35.692 . 38.69 1.69 7.6069e-02 25042 1 1 1 1 102 ASN H 7.799 . 8.34 0.63 3.9049e-01 25042 1 1 1 1 102 ASN HA 5.171 . 4.67 0.36 1.6402e-01 25042 1 1 1 1 102 ASN HB2 1.624 S 2.81 0.31 1.3034e-04 25042 1 1 1 1 102 ASN HB3 -0.271 A 2.75 0.33 5.4587e-20 25042 1 1 1 1 102 ASN HD21 6.097 . 7.35 0.48 9.0432e-03 25042 1 1 1 1 102 ASN HD22 5.548 . 7.14 0.49 1.1582e-03 25042 1 1 1 1 102 ASN N 122.409 . 118.93 4.03 3.8799e-01 25042 1 1 1 1 102 ASN ND2 106.412 . 112.75 2.23 4.4810e-03 25042 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 1 102 ASN ASN 0.36 25042 1 1 1 1 102 ASN CYS 0.35 25042 1 1 1 1 102 ASN MET 0.13 25042 1 1 1 1 102 ASN GLU 0.03 25042 1 1 1 1 102 ASN PRO 0.02 25042 1 1 1 1 102 ASN GLN 0.02 25042 1 1 1 1 102 ASN LYS 0.02 25042 1 1 1 1 102 ASN TYR 0.01 25042 1 1 1 1 102 ASN PHE 0.01 25042 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25042 _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 25042 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25042 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25042 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25042 _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_