data_AVS_bmrb_pdb_report_34024 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 34024 _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 52 TRP Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 34024 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 52 TRP C 174.824 . 176.12 2.01 5.1907e-01 34024 1 1 1 1 52 TRP CA 56.344 . 57.66 2.58 6.1000e-01 34024 1 1 1 1 52 TRP CB 32.121 . 30.01 2.01 2.9360e-01 34024 1 1 1 1 52 TRP CD1 125.600 . 126.51 1.83 6.1900e-01 34024 1 1 1 1 52 TRP CD2 120.000 A 127.57 1.55 1.0402e-06 34024 1 1 1 1 52 TRP CE3 120.000 . 120.43 1.79 8.1016e-01 34024 1 1 1 1 52 TRP CZ2 114.500 . 114.26 1.12 8.3032e-01 34024 1 1 1 1 52 TRP CH2 124.800 . 123.86 1.42 5.0799e-01 34024 1 1 1 1 52 TRP H 8.786 . 8.29 0.79 5.3010e-01 34024 1 1 1 1 52 TRP HA 5.016 . 4.68 0.53 5.2611e-01 34024 1 1 1 1 52 TRP HB2 3.060 . 3.19 0.35 7.1032e-01 34024 1 1 1 1 52 TRP HB3 3.060 . 3.12 0.36 8.6763e-01 34024 1 1 1 1 52 TRP HD1 7.091 . 7.14 0.36 8.9173e-01 34024 1 1 1 1 52 TRP HE1 10.080 . 10.08 0.66 1.0000e+00 34024 1 1 1 1 52 TRP HE3 7.205 . 7.31 0.41 7.9788e-01 34024 1 1 1 1 52 TRP HZ2 7.216 . 7.28 0.33 8.4622e-01 34024 1 1 1 1 52 TRP HH2 6.990 . 6.98 0.39 9.7954e-01 34024 1 1 1 1 52 TRP N 121.254 . 121.68 4.18 9.1883e-01 34024 1 1 1 1 52 TRP NE1 129.250 . 129.32 2.11 9.7353e-01 34024 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 52 TRP CYS 0.99 34024 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 34024 _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 34024 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 34024 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 34024 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 34024 _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_