data_AVS_bmrb_pdb_report_16119 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16119 _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 1 178 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16119 1 1 1 1 212 CYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16119 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 1 178 PHE C 172.329 . 175.49 2.13 1.3780e-01 16119 1 1 1 1 178 PHE CA 51.782 . 58.25 2.73 1.7825e-02 16119 1 1 1 1 178 PHE CB 39.576 . 39.95 2.04 8.5454e-01 16119 1 1 1 1 178 PHE H 9.717 . 8.42 0.74 7.9653e-02 16119 1 1 1 1 178 PHE HA 5.854 . 4.62 0.58 3.3371e-02 16119 1 1 1 1 178 PHE HB2 4.516 A 2.99 0.37 3.7182e-05 16119 1 1 1 1 178 PHE HD1 7.280 . 6.91 0.82 6.5183e-01 16119 1 1 1 1 178 PHE N 126.843 . 120.69 4.18 1.4102e-01 16119 1 1 1 1 212 CYS C 167.724 A 174.78 1.99 3.9153e-04 16119 1 1 1 1 212 CYS CA 54.047 . 57.43 3.41 3.2116e-01 16119 1 1 1 1 212 CYS CB 31.992 . 34.15 6.77 7.4991e-01 16119 1 1 1 1 212 CYS H 9.366 . 8.42 0.66 1.5176e-01 16119 1 1 1 1 212 CYS HA 5.439 . 4.73 0.57 2.1355e-01 16119 1 1 1 1 212 CYS N 122.958 . 119.95 4.79 5.3002e-01 16119 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 1 178 PHE ASN 0.45 16119 1 1 1 1 178 PHE ASP 0.25 16119 1 1 1 1 178 PHE CYS 0.13 16119 1 1 1 1 178 PHE LEU 0.05 16119 1 1 1 1 178 PHE TYR 0.04 16119 1 1 1 1 178 PHE PHE 0.04 16119 1 1 1 1 212 CYS MET 0.21 16119 1 1 1 1 212 CYS CYS 0.18 16119 1 1 1 1 212 CYS LYS 0.13 16119 1 1 1 1 212 CYS HIS 0.12 16119 1 1 1 1 212 CYS ARG 0.11 16119 1 1 1 1 212 CYS TRP 0.08 16119 1 1 1 1 212 CYS GLU 0.05 16119 1 1 1 1 212 CYS GLN 0.05 16119 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16119 _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.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 16119 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16119 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16119 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16119 _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_