data_AVS_bmrb_pdb_report_11112 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11112 _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 47 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11112 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 47 TRP C 174.024 . 176.1 1.89 2.7202e-01 11112 1 1 1 1 47 TRP CA 57.177 . 57.71 2.65 8.4060e-01 11112 1 1 1 1 47 TRP CB 32.456 . 30.16 2.19 2.9445e-01 11112 1 1 1 1 47 TRP CD1 124.405 . 126.16 1.76 3.1869e-01 11112 1 1 1 1 47 TRP CE3 120.624 . 120.38 1.5 8.7078e-01 11112 1 1 1 1 47 TRP CZ2 113.473 . 114.19 1.09 5.1067e-01 11112 1 1 1 1 47 TRP CZ3 120.606 . 121.57 1.76 5.8388e-01 11112 1 1 1 1 47 TRP CH2 122.928 . 123.75 1.34 5.3959e-01 11112 1 1 1 1 47 TRP H 7.914 . 8.35 0.84 6.0373e-01 11112 1 1 1 1 47 TRP HA 5.118 . 4.74 0.55 4.9191e-01 11112 1 1 1 1 47 TRP HB2 3.328 . 3.22 0.36 7.6418e-01 11112 1 1 1 1 47 TRP HB3 3.253 . 3.18 0.36 8.3931e-01 11112 1 1 1 1 47 TRP HD1 5.945 S 7.16 0.34 3.5220e-04 11112 1 1 1 1 47 TRP HE1 6.571 A 10.13 0.53 1.8794e-11 11112 1 1 1 1 47 TRP HE3 6.800 . 7.17 1.03 7.1943e-01 11112 1 1 1 1 47 TRP HZ2 6.507 . 7.14 0.89 4.7694e-01 11112 1 1 1 1 47 TRP HZ3 6.567 . 6.68 1.02 9.1179e-01 11112 1 1 1 1 47 TRP HH2 6.508 . 6.82 0.94 7.3995e-01 11112 1 1 1 1 47 TRP N 119.023 . 121.87 4.58 5.3419e-01 11112 1 1 1 1 47 TRP NE1 124.248 . 129.48 2.56 4.0978e-02 11112 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 47 TRP TRP 0.99 11112 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11112 _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 11112 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11112 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11112 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11112 _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_