data_AVS_bmrb_pdb_report_15669 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15669 _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 65 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15669 1 1 1 1 94 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15669 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 65 ASN C 175.26 . 175.16 1.76 9.5469e-01 15669 1 1 1 1 65 ASN CA 53.47 . 53.43 1.94 9.8355e-01 15669 1 1 1 1 65 ASN CB 37.53 . 38.66 1.78 5.2554e-01 15669 1 1 1 1 65 ASN CG 180.34 A 176.61 1.33 5.0393e-03 15669 1 1 1 1 65 ASN H 9.12 . 8.37 0.65 2.4856e-01 15669 1 1 1 1 65 ASN HA 4.33 . 4.7 0.39 3.4276e-01 15669 1 1 1 1 65 ASN HB2 2.29 . 2.8 0.34 1.3361e-01 15669 1 1 1 1 65 ASN HB3 2.29 . 2.78 0.34 1.4953e-01 15669 1 1 1 1 65 ASN HD21 6.89 . 7.27 0.52 4.6492e-01 15669 1 1 1 1 65 ASN HD22 7.55 . 7.2 0.52 5.0090e-01 15669 1 1 1 1 65 ASN N 113.45 . 119.13 4.42 1.9877e-01 15669 1 1 1 1 65 ASN ND2 112.46 . 112.83 2.6 8.8684e-01 15669 1 1 1 1 94 ASN C 174.95 . 175.16 1.76 9.0502e-01 15669 1 1 1 1 94 ASN CA 53.30 . 53.43 1.94 9.4657e-01 15669 1 1 1 1 94 ASN CB 38.89 . 38.66 1.78 8.9719e-01 15669 1 1 1 1 94 ASN CG 180.35 A 176.61 1.33 4.9230e-03 15669 1 1 1 1 94 ASN H 8.33 . 8.37 0.65 9.5093e-01 15669 1 1 1 1 94 ASN HA 4.69 . 4.7 0.39 9.7954e-01 15669 1 1 1 1 94 ASN HB2 2.75 . 2.8 0.34 8.8309e-01 15669 1 1 1 1 94 ASN HB3 2.75 . 2.78 0.34 9.2969e-01 15669 1 1 1 1 94 ASN HD21 6.79 . 7.27 0.52 3.5597e-01 15669 1 1 1 1 94 ASN HD22 7.53 . 7.2 0.52 5.2568e-01 15669 1 1 1 1 94 ASN N 118.15 . 119.13 4.42 8.2453e-01 15669 1 1 1 1 94 ASN ND2 112.66 . 112.83 2.6 9.4787e-01 15669 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 65 ASN CYS 0.53 15669 1 1 1 1 65 ASN ASP 0.2 15669 1 1 1 1 65 ASN GLU 0.2 15669 1 1 1 1 65 ASN ASN 0.04 15669 1 1 1 1 94 ASN ASP 0.49 15669 1 1 1 1 94 ASN CYS 0.4 15669 1 1 1 1 94 ASN GLU 0.05 15669 1 1 1 1 94 ASN ASN 0.05 15669 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15669 _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.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 15669 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15669 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15669 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15669 _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_