data_AVS_bmrb_pdb_report_5305 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5305 _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 5305 1 1 1 1 43 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5305 1 1 1 1 90 PRO Anomalous Suspicious Consistent Consistent Anomalous Indeterminable . . 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 5305 1 1 1 1 43 TYR C 168.368 M 175.39 1.89 2.0293e-04 5305 1 1 1 1 43 TYR CA 53.429 . 58.02 2.64 8.2032e-02 5305 1 1 1 1 43 TYR CB 38.272 . 39.16 2.23 6.9048e-01 5305 1 1 1 1 43 TYR H 8.623 . 8.37 0.75 7.3587e-01 5305 1 1 1 1 43 TYR HA 4.753 . 4.63 0.56 8.2615e-01 5305 1 1 1 1 43 TYR N 121.174 . 120.79 4.69 9.3475e-01 5305 1 1 1 1 90 PRO C 171.555 . 176.7 1.69 2.3316e-03 5305 1 1 1 1 90 PRO CA 60.673 . 63.3 1.64 1.0919e-01 5305 1 1 1 1 90 PRO CB 25.483 M 31.81 1.54 3.9834e-05 5305 1 1 1 1 90 PRO HA 4.374 . 4.41 0.36 9.2034e-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 5305 1 1 1 1 43 TYR ASN 0.44 5305 1 1 1 1 43 TYR CYS 0.18 5305 1 1 1 1 43 TYR ASP 0.13 5305 1 1 1 1 43 TYR TYR 0.09 5305 1 1 1 1 43 TYR PHE 0.06 5305 1 1 1 1 43 TYR GLU 0.02 5305 1 1 1 1 43 TYR LEU 0.02 5305 1 1 1 1 43 TYR MET 0.01 5305 1 1 1 1 90 PRO ILE 0.39 5305 1 1 1 1 90 PRO CYS 0.18 5305 1 1 1 1 90 PRO LYS 0.13 5305 1 1 1 1 90 PRO ARG 0.1 5305 1 1 1 1 90 PRO LEU 0.04 5305 1 1 1 1 90 PRO TRP 0.03 5305 1 1 1 1 90 PRO VAL 0.03 5305 1 1 1 1 90 PRO GLN 0.02 5305 1 1 1 1 90 PRO HIS 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5305 _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 5305 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 5305 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5305 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5305 _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_