data_AVS_bmrb_pdb_report_19627 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19627 _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 91 TRP Anomalous Suspicious Consistent Suspicious Anomalous Suspicious . . 19627 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 91 TRP CA 52.510 . 57.66 2.58 4.5920e-02 19627 1 1 1 1 91 TRP CB 34.752 . 30.01 2.01 1.8314e-02 19627 1 1 1 1 91 TRP CD1 127.015 . 126.51 1.83 7.8258e-01 19627 1 1 1 1 91 TRP CE3 117.658 . 120.43 1.79 1.2148e-01 19627 1 1 1 1 91 TRP CZ2 108.929 A 114.26 1.12 1.9376e-06 19627 1 1 1 1 91 TRP CZ3 120.669 . 121.35 1.53 6.5625e-01 19627 1 1 1 1 91 TRP CH2 124.975 . 123.86 1.42 4.3233e-01 19627 1 1 1 1 91 TRP H 9.114 . 8.29 0.79 2.9693e-01 19627 1 1 1 1 91 TRP HA 5.514 . 4.68 0.53 1.1558e-01 19627 1 1 1 1 91 TRP HB2 2.587 . 3.19 0.35 8.4914e-02 19627 1 1 1 1 91 TRP HB3 2.590 . 3.12 0.36 1.4096e-01 19627 1 1 1 1 91 TRP HD1 6.430 . 7.14 0.36 4.8584e-02 19627 1 1 1 1 91 TRP HE1 8.705 . 10.08 0.66 3.7221e-02 19627 1 1 1 1 91 TRP HE3 6.392 . 7.31 0.41 2.5154e-02 19627 1 1 1 1 91 TRP HZ2 6.207 . 7.28 0.33 1.1479e-03 19627 1 1 1 1 91 TRP HZ3 5.524 S 6.86 0.4 8.3778e-04 19627 1 1 1 1 91 TRP HH2 6.704 . 6.98 0.39 4.7914e-01 19627 1 1 1 1 91 TRP N 125.457 . 121.68 4.18 3.6621e-01 19627 1 1 1 1 91 TRP NE1 122.222 S 129.32 2.11 7.6827e-04 19627 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 91 TRP CYS 0.99 19627 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19627 _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 19627 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19627 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19627 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19627 _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_