data_AVS_bmrb_pdb_report_18553 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18553 _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 44 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 18553 1 1 1 1 139 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 18553 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 44 ASN C 140.671 A 175.27 1.79 3.0600e-83 18553 1 1 1 1 44 ASN CA 52.791 . 53.54 1.88 6.9033e-01 18553 1 1 1 1 44 ASN CB 39.132 . 38.69 1.69 7.9368e-01 18553 1 1 1 1 44 ASN H 8.644 . 8.34 0.63 6.2942e-01 18553 1 1 1 1 44 ASN HA 4.906 . 4.67 0.36 5.1211e-01 18553 1 1 1 1 44 ASN HB2 2.885 . 2.81 0.31 8.0883e-01 18553 1 1 1 1 44 ASN HB3 2.885 . 2.75 0.33 6.8247e-01 18553 1 1 1 1 44 ASN HD21 7.88 . 7.35 0.48 2.6952e-01 18553 1 1 1 1 44 ASN HD22 6.89 . 7.14 0.49 6.0991e-01 18553 1 1 1 1 44 ASN N 121.193 . 118.93 4.03 5.7443e-01 18553 1 1 1 1 44 ASN ND2 112.281 . 112.75 2.23 8.3342e-01 18553 1 1 1 1 139 GLU C 156.991 A 176.87 1.95 2.1013e-24 18553 1 1 1 1 139 GLU CA 55.036 . 57.32 2.09 2.7447e-01 18553 1 1 1 1 139 GLU CB 34.384 . 30.01 1.72 1.0990e-02 18553 1 1 1 1 139 GLU CG 36.41 . 36.11 1.19 8.0096e-01 18553 1 1 1 1 139 GLU H 8.24 . 8.33 0.59 8.7876e-01 18553 1 1 1 1 139 GLU HA 5.537 . 4.25 0.41 1.6951e-03 18553 1 1 1 1 139 GLU HB2 1.779 . 2.02 0.21 2.5113e-01 18553 1 1 1 1 139 GLU HB3 1.876 . 1.99 0.23 6.2014e-01 18553 1 1 1 1 139 GLU HG2 2.104 . 2.27 0.21 4.2925e-01 18553 1 1 1 1 139 GLU HG3 1.943 . 2.25 0.22 1.6288e-01 18553 1 1 1 1 139 GLU N 119.533 . 120.67 3.48 7.4388e-01 18553 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 44 ASN ASN 0.56 18553 1 1 1 1 44 ASN ASP 0.22 18553 1 1 1 1 44 ASN PHE 0.06 18553 1 1 1 1 44 ASN TYR 0.06 18553 1 1 1 1 44 ASN LEU 0.06 18553 1 1 1 1 139 GLU MET 0.64 18553 1 1 1 1 139 GLU GLU 0.33 18553 1 1 1 1 139 GLU GLN 0.01 18553 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18553 _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 18553 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18553 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18553 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18553 _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_