data_AVS_bmrb_pdb_report_5752 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5752 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5752 1 1 1 1 14 ASP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5752 1 1 1 1 112 MET Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5752 1 1 1 1 139 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5752 1 1 1 1 14 ASP C 179.14 . 176.41 1.77 1.2298e-01 5752 1 1 1 1 14 ASP CA 51.429 . 54.52 2.1 1.4105e-01 5752 1 1 1 1 14 ASP CB 40 . 40.7 1.67 6.7510e-01 5752 1 1 1 1 14 ASP H 8.472 . 8.33 0.57 8.0327e-01 5752 1 1 1 1 14 ASP N 103.198 M 120.73 4.2 2.9892e-05 5752 1 1 1 1 112 MET C 175.481 . 176.3 2.13 7.0060e-01 5752 1 1 1 1 112 MET CA 51.123 . 56.16 2.34 3.1353e-02 5752 1 1 1 1 112 MET CB 35.565 . 32.9 2.23 2.3206e-01 5752 1 1 1 1 112 MET H 10.032 . 8.26 0.6 3.1436e-03 5752 1 1 1 1 112 MET N 102.876 M 120.1 3.88 9.0304e-06 5752 1 1 1 1 139 LEU C 174.788 . 176.97 2.09 2.9648e-01 5752 1 1 1 1 139 LEU CA 51.772 . 55.65 2.21 7.9302e-02 5752 1 1 1 1 139 LEU CB 39.307 . 42.37 1.86 9.9604e-02 5752 1 1 1 1 139 LEU H 8.56 . 8.22 0.65 6.0092e-01 5752 1 1 1 1 139 LEU N 101.74 M 121.98 4.07 6.5934e-07 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5752 1 1 1 1 14 ASP ASN 0.41 5752 1 1 1 1 14 ASP ASP 0.28 5752 1 1 1 1 14 ASP CYS 0.13 5752 1 1 1 1 14 ASP LEU 0.06 5752 1 1 1 1 14 ASP PHE 0.04 5752 1 1 1 1 14 ASP TYR 0.03 5752 1 1 1 1 112 MET CYS 0.4 5752 1 1 1 1 112 MET ASN 0.25 5752 1 1 1 1 112 MET MET 0.11 5752 1 1 1 1 112 MET PRO 0.08 5752 1 1 1 1 112 MET GLU 0.03 5752 1 1 1 1 112 MET LYS 0.03 5752 1 1 1 1 112 MET GLN 0.02 5752 1 1 1 1 112 MET TYR 0.02 5752 1 1 1 1 139 LEU ASN 0.49 5752 1 1 1 1 139 LEU ASP 0.22 5752 1 1 1 1 139 LEU CYS 0.14 5752 1 1 1 1 139 LEU TYR 0.04 5752 1 1 1 1 139 LEU PHE 0.04 5752 1 1 1 1 139 LEU LEU 0.04 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5752 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 5752 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 5752 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5752 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5752 _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_