data_AVS_bmrb_pdb_report_18433 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18433 _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 93 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 18433 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 93 TRP CA 59.676 . 57.66 2.58 4.3457e-01 18433 1 1 1 1 93 TRP CB 29.857 . 30.01 2.01 9.3932e-01 18433 1 1 1 1 93 TRP CD1 126.228 . 126.51 1.83 8.7753e-01 18433 1 1 1 1 93 TRP CE3 118.419 . 120.43 1.79 2.6124e-01 18433 1 1 1 1 93 TRP CZ2 116.283 . 114.26 1.12 7.0879e-02 18433 1 1 1 1 93 TRP CZ3 121.471 . 121.35 1.53 9.3697e-01 18433 1 1 1 1 93 TRP CH2 124.035 . 123.86 1.42 9.0192e-01 18433 1 1 1 1 93 TRP H 7.551 . 8.29 0.79 3.4956e-01 18433 1 1 1 1 93 TRP HA 4.499 . 4.68 0.53 7.3272e-01 18433 1 1 1 1 93 TRP HB2 3.189 . 3.19 0.35 9.9772e-01 18433 1 1 1 1 93 TRP HB3 3.273 . 3.12 0.36 6.7084e-01 18433 1 1 1 1 93 TRP HD1 7.263 . 7.14 0.36 7.3260e-01 18433 1 1 1 1 93 TRP HE1 9.536 . 10.08 0.66 4.0980e-01 18433 1 1 1 1 93 TRP HE3 7.295 . 7.31 0.41 9.7082e-01 18433 1 1 1 1 93 TRP HZ2 7.085 . 7.28 0.33 5.5458e-01 18433 1 1 1 1 93 TRP HZ3 5.244 S 6.86 0.4 5.3451e-05 18433 1 1 1 1 93 TRP HH2 4.372 A 6.98 0.39 2.2751e-11 18433 1 1 1 1 93 TRP N 121.614 . 121.68 4.18 9.8740e-01 18433 1 1 1 1 93 TRP NE1 127.915 . 129.32 2.11 5.0549e-01 18433 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 93 TRP CYS 0.54 18433 1 1 1 1 93 TRP TRP 0.45 18433 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18433 _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 18433 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18433 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18433 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18433 _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_