data_AVS_bmrb_pdb_report_26757 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 26757 _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 77 MET Anomalous Consistent Consistent Anomalous Consistent Anomalous . . 26757 1 1 1 1 186 GLN Anomalous Consistent Consistent Anomalous Consistent Anomalous . . 26757 1 1 1 1 233 GLN Anomalous Consistent Consistent Anomalous Consistent Anomalous . . 26757 1 1 1 3 1 DEX UNSUPPORTED . . . . . . . 26757 1 1 1 4 1 CPS UNSUPPORTED . . . . . . . 26757 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 77 MET CA 55.907 . 56.11 2.23 9.2747e-01 26757 1 1 1 1 77 MET CE 17.957 . 17.07 1.58 5.7453e-01 26757 1 1 1 1 77 MET H 0.000 A 8.26 0.6 4.0445e-43 26757 1 1 1 1 77 MET HE1 1.919 . 1.89 0.46 9.4973e-01 26757 1 1 1 1 77 MET HE2 1.919 . 1.89 0.46 9.4973e-01 26757 1 1 1 1 77 MET HE3 1.919 . 1.89 0.46 9.4973e-01 26757 1 1 1 1 77 MET N 0.000 A 120.09 3.57 0.0000e+00 26757 1 1 1 1 186 GLN CA 59.377 . 56.57 2.14 1.8963e-01 26757 1 1 1 1 186 GLN H 0.000 A 8.22 0.59 4.0371e-44 26757 1 1 1 1 186 GLN N 0.000 A 119.89 3.6 0.0000e+00 26757 1 1 1 1 233 GLN CA 57.515 . 56.57 2.14 6.5879e-01 26757 1 1 1 1 233 GLN H 0.000 A 8.22 0.59 4.0371e-44 26757 1 1 1 1 233 GLN N 0.000 A 119.89 3.6 0.0000e+00 26757 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 77 MET MET 0.64 26757 1 1 1 1 77 MET ALA 0.24 26757 1 1 1 1 77 MET ILE 0.07 26757 1 1 1 1 77 MET CYS 0.03 26757 1 1 1 1 186 GLN SER 0.13 26757 1 1 1 1 186 GLN CYS 0.13 26757 1 1 1 1 186 GLN TYR 0.1 26757 1 1 1 1 186 GLN PHE 0.1 26757 1 1 1 1 186 GLN TRP 0.08 26757 1 1 1 1 186 GLN ILE 0.07 26757 1 1 1 1 186 GLN GLU 0.05 26757 1 1 1 1 186 GLN VAL 0.04 26757 1 1 1 1 186 GLN THR 0.04 26757 1 1 1 1 186 GLN LYS 0.04 26757 1 1 1 1 186 GLN ARG 0.04 26757 1 1 1 1 186 GLN HIS 0.03 26757 1 1 1 1 186 GLN GLN 0.03 26757 1 1 1 1 186 GLN MET 0.02 26757 1 1 1 1 186 GLN LEU 0.01 26757 1 1 1 1 233 GLN TRP 0.1 26757 1 1 1 1 233 GLN GLU 0.1 26757 1 1 1 1 233 GLN PHE 0.09 26757 1 1 1 1 233 GLN CYS 0.08 26757 1 1 1 1 233 GLN TYR 0.08 26757 1 1 1 1 233 GLN LYS 0.08 26757 1 1 1 1 233 GLN ARG 0.08 26757 1 1 1 1 233 GLN HIS 0.07 26757 1 1 1 1 233 GLN GLN 0.07 26757 1 1 1 1 233 GLN SER 0.06 26757 1 1 1 1 233 GLN MET 0.05 26757 1 1 1 1 233 GLN LEU 0.04 26757 1 1 1 1 233 GLN ASP 0.01 26757 1 1 1 1 233 GLN ILE 0.01 26757 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 26757 _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 26757 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 26757 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 26757 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 26757 _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_