data_AVS_bmrb_pdb_report_10270 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10270 _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 39 TRP Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE1 > HD1" 0.9930 10270 1 1 1 1 39 TRP . . . . . . "HE1 > HZ3" 0.9924 10270 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 39 TRP C 173.585 . 176.1 1.89 1.8329e-01 10270 1 1 1 1 39 TRP CA 57.170 . 57.71 2.65 8.3853e-01 10270 1 1 1 1 39 TRP CB 31.554 . 30.16 2.19 5.2443e-01 10270 1 1 1 1 39 TRP CD1 125.451 . 126.16 1.76 6.8707e-01 10270 1 1 1 1 39 TRP CE3 120.571 . 120.38 1.5 8.9868e-01 10270 1 1 1 1 39 TRP CZ2 113.508 . 114.19 1.09 5.3152e-01 10270 1 1 1 1 39 TRP CZ3 120.984 . 121.57 1.76 7.3917e-01 10270 1 1 1 1 39 TRP CH2 123.631 . 123.75 1.34 9.2924e-01 10270 1 1 1 1 39 TRP H 7.682 . 8.35 0.84 4.2648e-01 10270 1 1 1 1 39 TRP HA 5.044 . 4.74 0.55 5.8045e-01 10270 1 1 1 1 39 TRP HB2 3.421 . 3.22 0.36 5.7662e-01 10270 1 1 1 1 39 TRP HB3 2.996 . 3.18 0.36 6.0927e-01 10270 1 1 1 1 39 TRP HD1 6.476 . 7.16 0.34 4.4245e-02 10270 1 1 1 1 39 TRP HE1 5.937 A 10.13 0.53 2.5467e-15 10270 1 1 1 1 39 TRP HE3 6.906 . 7.17 1.03 7.9771e-01 10270 1 1 1 1 39 TRP HZ2 6.652 . 7.14 0.89 5.8348e-01 10270 1 1 1 1 39 TRP HZ3 6.515 . 6.68 1.02 8.7149e-01 10270 1 1 1 1 39 TRP HH2 6.517 . 6.82 0.94 7.4719e-01 10270 1 1 1 1 39 TRP N 116.447 . 121.87 4.58 2.3639e-01 10270 1 1 1 1 39 TRP NE1 121.288 . 129.48 2.56 1.3743e-03 10270 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 39 TRP TRP 0.5 10270 1 1 1 1 39 TRP CYS 0.48 10270 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10270 _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 10270 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10270 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10270 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10270 _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_