data_AVS_bmrb_pdb_report_16905 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16905 _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 69 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16905 1 1 1 1 82 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16905 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 69 TYR C 184.78 A 175.39 1.89 6.7558e-07 16905 1 1 1 1 69 TYR CA 60.310 . 58.02 2.64 3.8571e-01 16905 1 1 1 1 69 TYR CB 35.310 . 39.16 2.23 8.4265e-02 16905 1 1 1 1 69 TYR CD1 132.34 . 132.54 1.35 8.8223e-01 16905 1 1 1 1 69 TYR CE1 118.67 . 117.81 2.09 6.8072e-01 16905 1 1 1 1 69 TYR H 6.4813 . 8.37 0.75 1.1793e-02 16905 1 1 1 1 69 TYR HA 4.4203 . 4.63 0.56 7.0806e-01 16905 1 1 1 1 69 TYR HB2 3.5400 . 2.91 0.37 8.8624e-02 16905 1 1 1 1 69 TYR HB3 3.0500 . 2.91 0.37 7.0515e-01 16905 1 1 1 1 69 TYR HD1 6.9700 . 6.87 0.65 8.7773e-01 16905 1 1 1 1 69 TYR HE1 6.7100 . 6.64 0.58 9.0394e-01 16905 1 1 1 1 69 TYR N 119.97 . 120.79 4.69 8.6121e-01 16905 1 1 1 1 82 PHE C 184.16 A 175.49 2.13 4.6928e-05 16905 1 1 1 1 82 PHE CA 54.690 . 58.25 2.73 1.9222e-01 16905 1 1 1 1 82 PHE CB 42.810 . 39.95 2.04 1.6093e-01 16905 1 1 1 1 82 PHE CD1 132.10 . 131.38 1.38 6.0185e-01 16905 1 1 1 1 82 PHE CE1 130.17 . 130.48 1.29 8.1009e-01 16905 1 1 1 1 82 PHE CZ 131.94 . 129.11 1.68 9.2080e-02 16905 1 1 1 1 82 PHE H 7.3033 . 8.42 0.74 1.3128e-01 16905 1 1 1 1 82 PHE HA 5.5903 . 4.62 0.58 9.4341e-02 16905 1 1 1 1 82 PHE HB2 2.5100 . 2.99 0.37 1.9453e-01 16905 1 1 1 1 82 PHE HB3 2.8300 . 2.97 0.38 7.1256e-01 16905 1 1 1 1 82 PHE HD1 6.7200 . 6.91 0.82 8.1677e-01 16905 1 1 1 1 82 PHE HE1 7.1000 . 6.95 0.82 8.5486e-01 16905 1 1 1 1 82 PHE HZ 7.2400 . 6.92 0.8 6.8916e-01 16905 1 1 1 1 82 PHE N 113.41 . 120.69 4.18 8.1574e-02 16905 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 69 TYR CYS 0.59 16905 1 1 1 1 69 TYR TYR 0.35 16905 1 1 1 1 69 TYR HIS 0.04 16905 1 1 1 1 82 PHE TYR 0.4 16905 1 1 1 1 82 PHE CYS 0.3 16905 1 1 1 1 82 PHE PHE 0.22 16905 1 1 1 1 82 PHE GLY 0.07 16905 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16905 _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 16905 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16905 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16905 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16905 _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_