data_AVS_bmrb_pdb_report_19701 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19701 _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 3 PHE Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HD1 > HA" 0.9976 19701 1 1 1 1 3 PHE . . . . . . "HD2 > HA" 0.9977 19701 1 1 1 1 4 PHE Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HD2 > HA" 0.9977 19701 1 1 1 1 4 PHE . . . . . . "HD2 > HB2" 0.9994 19701 1 1 1 1 4 PHE . . . . . . "HD2 > HB3" 0.9994 19701 1 1 1 1 11 ASN Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HD21 > HA" 0.9966 19701 1 1 1 1 11 ASN . . . . . . "HD22 > HA" 0.9966 19701 1 1 1 1 11 ASN . . . . . . "HD21 > HB2" 1.0000 19701 1 1 1 1 11 ASN . . . . . . "HD22 > HB2" 1.0000 19701 1 1 1 1 11 ASN . . . . . . "HD21 > HB3" 1.0000 19701 1 1 1 1 11 ASN . . . . . . "HD22 > HB3" 1.0000 19701 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 3 PHE H 8.109 . 8.36 0.72 7.2738e-01 19701 1 1 1 1 3 PHE HA 4.267 . 4.63 0.57 5.2423e-01 19701 1 1 1 1 3 PHE HD1 0.603 A 7.06 0.31 0.0000e+00 19701 1 1 1 1 3 PHE HD2 0.603 A 7.06 0.31 0.0000e+00 19701 1 1 1 1 4 PHE H 8.026 . 8.36 0.72 6.4273e-01 19701 1 1 1 1 4 PHE HA 4.24 . 4.63 0.57 4.9384e-01 19701 1 1 1 1 4 PHE HB2 2.75 . 3 0.37 4.9925e-01 19701 1 1 1 1 4 PHE HB3 2.613 . 2.93 0.4 4.2807e-01 19701 1 1 1 1 4 PHE HD2 2.596 A 7.06 0.31 5.1744e-47 19701 1 1 1 1 11 ASN H 7.809 . 8.34 0.63 3.9931e-01 19701 1 1 1 1 11 ASN HA 3.798 . 4.67 0.36 1.5426e-02 19701 1 1 1 1 11 ASN HB2 1.877 . 2.81 0.31 2.6153e-03 19701 1 1 1 1 11 ASN HB3 1.743 . 2.75 0.33 2.2769e-03 19701 1 1 1 1 11 ASN HD21 1.712 A 7.35 0.48 7.4188e-32 19701 1 1 1 1 11 ASN HD22 1.545 A 7.14 0.49 3.3853e-30 19701 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19701 _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 19701 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19701 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19701 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19701 _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_