data_AVS_bmrb_pdb_report_34460 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 34460 _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 35 ASN Anomalous Consistent Consistent Anomalous Suspicious Consistent . . 34460 1 1 1 1 79 ASP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 34460 1 1 1 2 1 HEC UNSUPPORTED . . . . . . . 34460 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 35 ASN CA 46.724 S 53.54 1.88 2.8837e-04 34460 1 1 1 1 35 ASN CB 37.874 . 38.69 1.69 6.2921e-01 34460 1 1 1 1 35 ASN H 8.239 . 8.34 0.63 8.7263e-01 34460 1 1 1 1 35 ASN HA 2.388 A 4.67 0.36 2.3143e-10 34460 1 1 1 1 35 ASN N 122.193 . 118.93 4.03 4.1813e-01 34460 1 1 1 1 79 ASP C 175.398 . 176.4 1.75 5.6693e-01 34460 1 1 1 1 79 ASP CA 53.224 . 54.69 2.03 4.7019e-01 34460 1 1 1 1 79 ASP CB 39.659 . 40.88 1.62 4.5103e-01 34460 1 1 1 1 79 ASP H 9.305 . 8.31 0.58 8.6250e-02 34460 1 1 1 1 79 ASP HA 5.535 . 4.59 0.32 3.1457e-03 34460 1 1 1 1 79 ASP HB2 4.664 A 2.72 0.26 7.6083e-14 34460 1 1 1 1 79 ASP HB3 4.664 A 2.66 0.28 8.2376e-13 34460 1 1 1 1 79 ASP N 123.238 . 120.65 3.86 5.0256e-01 34460 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 35 ASN GLY 0.99 34460 1 1 1 1 79 ASP ASN 0.39 34460 1 1 1 1 79 ASP ASP 0.27 34460 1 1 1 1 79 ASP LEU 0.09 34460 1 1 1 1 79 ASP PHE 0.07 34460 1 1 1 1 79 ASP CYS 0.07 34460 1 1 1 1 79 ASP TYR 0.06 34460 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 34460 _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 34460 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 34460 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 34460 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 34460 _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_