data_AVS_bmrb_pdb_report_5935 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5935 _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 5935 1 1 1 1 76 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5935 1 1 1 1 142 CYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5935 1 1 1 1 199 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5935 1 1 1 1 221 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 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 5935 1 1 1 1 76 LEU C 176.659 . 176.97 2.09 8.8171e-01 5935 1 1 1 1 76 LEU CA 53.864 . 55.65 2.21 4.1901e-01 5935 1 1 1 1 76 LEU CB 41.645 . 42.37 1.86 6.9670e-01 5935 1 1 1 1 76 LEU H 6.934 . 8.22 0.65 4.7877e-02 5935 1 1 1 1 76 LEU N 109.090 M 121.98 4.07 1.5398e-03 5935 1 1 1 1 142 CYS C 182.725 M 174.78 1.99 6.5391e-05 5935 1 1 1 1 142 CYS CA 53.267 . 57.43 3.41 2.2215e-01 5935 1 1 1 1 142 CYS H 7.910 . 8.42 0.66 4.3968e-01 5935 1 1 1 1 142 CYS N 130.287 . 119.95 4.79 3.0925e-02 5935 1 1 1 1 199 ASP C 173.712 . 176.41 1.77 1.2744e-01 5935 1 1 1 1 199 ASP CA 60.641 M 54.52 2.1 3.5596e-03 5935 1 1 1 1 199 ASP CB 40.656 . 40.7 1.67 9.7898e-01 5935 1 1 1 1 199 ASP H 7.749 . 8.33 0.57 3.0806e-01 5935 1 1 1 1 199 ASP N 121.157 . 120.73 4.2 9.1902e-01 5935 1 1 1 1 221 TYR C 180.437 M 175.39 1.89 7.5768e-03 5935 1 1 1 1 221 TYR CA 58.926 . 58.02 2.64 7.3146e-01 5935 1 1 1 1 221 TYR CB 38.557 . 39.16 2.23 7.8685e-01 5935 1 1 1 1 221 TYR H 7.690 . 8.37 0.75 3.6458e-01 5935 1 1 1 1 221 TYR N 126.433 . 120.79 4.69 2.2890e-01 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 5935 1 1 1 1 76 LEU ASP 0.27 5935 1 1 1 1 76 LEU LEU 0.22 5935 1 1 1 1 76 LEU LYS 0.13 5935 1 1 1 1 76 LEU CYS 0.1 5935 1 1 1 1 76 LEU ASN 0.07 5935 1 1 1 1 76 LEU PHE 0.06 5935 1 1 1 1 76 LEU ARG 0.06 5935 1 1 1 1 76 LEU TYR 0.05 5935 1 1 1 1 142 CYS ALA 0.23 5935 1 1 1 1 142 CYS ASN 0.23 5935 1 1 1 1 142 CYS ASP 0.13 5935 1 1 1 1 142 CYS LEU 0.06 5935 1 1 1 1 142 CYS CYS 0.05 5935 1 1 1 1 142 CYS MET 0.05 5935 1 1 1 1 142 CYS HIS 0.04 5935 1 1 1 1 142 CYS ARG 0.03 5935 1 1 1 1 142 CYS GLN 0.03 5935 1 1 1 1 142 CYS LYS 0.02 5935 1 1 1 1 142 CYS TRP 0.02 5935 1 1 1 1 142 CYS TYR 0.01 5935 1 1 1 1 142 CYS PHE 0.01 5935 1 1 1 1 142 CYS GLU 0.01 5935 1 1 1 1 199 ASP PHE 0.27 5935 1 1 1 1 199 ASP ILE 0.24 5935 1 1 1 1 199 ASP TYR 0.2 5935 1 1 1 1 199 ASP CYS 0.17 5935 1 1 1 1 199 ASP LYS 0.05 5935 1 1 1 1 199 ASP LEU 0.02 5935 1 1 1 1 199 ASP ARG 0.01 5935 1 1 1 1 221 TYR TYR 0.26 5935 1 1 1 1 221 TYR PHE 0.22 5935 1 1 1 1 221 TYR CYS 0.21 5935 1 1 1 1 221 TYR ILE 0.18 5935 1 1 1 1 221 TYR GLU 0.05 5935 1 1 1 1 221 TYR ASP 0.01 5935 1 1 1 1 221 TYR LEU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5935 _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 5935 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 5935 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5935 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5935 _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_