data_AVS_bmrb_pdb_report_30061 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30061 _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 2 19 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 30061 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 2 19 TRP C 174.686 . 176.12 2.01 4.7558e-01 30061 1 1 1 2 19 TRP CA 57.963 . 57.66 2.58 9.0651e-01 30061 1 1 1 2 19 TRP CB 33.321 . 30.01 2.01 9.9504e-02 30061 1 1 1 2 19 TRP CD1 125.245 . 126.51 1.83 4.8940e-01 30061 1 1 1 2 19 TRP CE3 119.960 . 120.43 1.79 7.9288e-01 30061 1 1 1 2 19 TRP CZ2 115.253 . 114.26 1.12 3.7529e-01 30061 1 1 1 2 19 TRP CH2 124.199 . 123.86 1.42 8.1131e-01 30061 1 1 1 2 19 TRP H 9.041 . 8.29 0.79 3.4179e-01 30061 1 1 1 2 19 TRP HA 6.580 A 4.68 0.53 3.3720e-04 30061 1 1 1 2 19 TRP HB2 3.838 . 3.19 0.35 6.4108e-02 30061 1 1 1 2 19 TRP HB3 3.213 . 3.12 0.36 7.9615e-01 30061 1 1 1 2 19 TRP HD1 6.741 . 7.14 0.36 2.6772e-01 30061 1 1 1 2 19 TRP HE1 10.163 . 10.08 0.66 8.9992e-01 30061 1 1 1 2 19 TRP HE3 6.986 . 7.31 0.41 4.2939e-01 30061 1 1 1 2 19 TRP HZ2 7.557 . 7.28 0.33 4.0125e-01 30061 1 1 1 2 19 TRP HZ3 6.726 . 6.86 0.4 7.3762e-01 30061 1 1 1 2 19 TRP HH2 7.186 . 6.98 0.39 5.9736e-01 30061 1 1 1 2 19 TRP N 119.740 . 121.68 4.18 6.4257e-01 30061 1 1 1 2 19 TRP NE1 129.238 . 129.32 2.11 9.6900e-01 30061 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 2 19 TRP TRP 0.99 30061 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30061 _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 30061 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30061 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30061 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30061 _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_