data_AVS_bmrb_pdb_report_19608 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19608 _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 53 TRP Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 19608 1 1 1 1 68 TRP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19608 1 1 1 2 1 PKA UNSUPPORTED . . . . . . . 19608 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 53 TRP C 179.376 . 176.12 2.01 1.0525e-01 19608 1 1 1 1 53 TRP CA 62.204 . 57.66 2.58 7.8198e-02 19608 1 1 1 1 53 TRP CB 30.503 . 30.01 2.01 8.0624e-01 19608 1 1 1 1 53 TRP CD1 126.76 . 126.51 1.83 8.9134e-01 19608 1 1 1 1 53 TRP CZ2 113.029 . 114.26 1.12 2.7172e-01 19608 1 1 1 1 53 TRP H 8.415 . 8.29 0.79 8.7428e-01 19608 1 1 1 1 53 TRP HA 4.327 . 4.68 0.53 5.0539e-01 19608 1 1 1 1 53 TRP HB2 3.241 . 3.19 0.35 8.8415e-01 19608 1 1 1 1 53 TRP HB3 3.062 . 3.12 0.36 8.7201e-01 19608 1 1 1 1 53 TRP HD1 6.967 . 7.14 0.36 6.3083e-01 19608 1 1 1 1 53 TRP HE1 9.989 . 10.08 0.66 8.9034e-01 19608 1 1 1 1 53 TRP HZ2 5.633 S 7.28 0.33 6.0096e-07 19608 1 1 1 1 53 TRP N 119.264 . 121.68 4.18 5.6327e-01 19608 1 1 1 1 53 TRP NE1 107.208 A 129.32 2.11 1.0717e-25 19608 1 1 1 1 68 TRP C 178.332 . 176.12 2.01 2.7112e-01 19608 1 1 1 1 68 TRP CA 62.339 . 57.66 2.58 6.9745e-02 19608 1 1 1 1 68 TRP CB 29.343 . 30.01 2.01 7.4001e-01 19608 1 1 1 1 68 TRP CD1 125.216 . 126.51 1.83 4.7950e-01 19608 1 1 1 1 68 TRP CZ2 114.74 . 114.26 1.12 6.6823e-01 19608 1 1 1 1 68 TRP H 8.356 . 8.29 0.79 9.3342e-01 19608 1 1 1 1 68 TRP HA 3.739 . 4.68 0.53 7.5820e-02 19608 1 1 1 1 68 TRP HB2 3.156 . 3.19 0.35 9.2261e-01 19608 1 1 1 1 68 TRP HB3 2.447 . 3.12 0.36 6.1561e-02 19608 1 1 1 1 68 TRP HD1 6.085 . 7.14 0.36 3.3836e-03 19608 1 1 1 1 68 TRP HE1 9.194 . 10.08 0.66 1.7946e-01 19608 1 1 1 1 68 TRP HZ2 7.585 . 7.28 0.33 3.5536e-01 19608 1 1 1 1 68 TRP N 120.945 . 121.68 4.18 8.6042e-01 19608 1 1 1 1 68 TRP NE1 107.15 A 129.32 2.11 8.0112e-26 19608 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 53 TRP TRP 0.96 19608 1 1 1 1 53 TRP HIS 0.03 19608 1 1 1 1 68 TRP TRP 0.97 19608 1 1 1 1 68 TRP HIS 0.02 19608 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19608 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 19608 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19608 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19608 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19608 _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_