data_AVS_bmrb_pdb_report_6712 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6712 _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 1 116 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6712 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 1 116 TRP C 168.169 A 176.12 2.01 7.6304e-05 6712 1 1 1 1 116 TRP CA 56.456 . 57.66 2.58 6.4074e-01 6712 1 1 1 1 116 TRP CB 30.025 . 30.01 2.01 9.9405e-01 6712 1 1 1 1 116 TRP CD1 126.793 . 126.51 1.83 8.7710e-01 6712 1 1 1 1 116 TRP CE3 121.014 . 120.43 1.79 7.4423e-01 6712 1 1 1 1 116 TRP CZ2 113.975 . 114.26 1.12 7.9914e-01 6712 1 1 1 1 116 TRP CZ3 122.930 . 121.35 1.53 3.0175e-01 6712 1 1 1 1 116 TRP CH2 123.874 . 123.86 1.42 9.9213e-01 6712 1 1 1 1 116 TRP H 8.016 . 8.29 0.79 7.2871e-01 6712 1 1 1 1 116 TRP HA 4.853 . 4.68 0.53 7.4411e-01 6712 1 1 1 1 116 TRP HB2 2.789 . 3.19 0.35 2.5191e-01 6712 1 1 1 1 116 TRP HB3 3.514 . 3.12 0.36 2.7376e-01 6712 1 1 1 1 116 TRP HD1 7.271 . 7.14 0.36 7.1594e-01 6712 1 1 1 1 116 TRP HE1 10.498 . 10.08 0.66 5.2652e-01 6712 1 1 1 1 116 TRP HE3 7.323 . 7.31 0.41 9.7471e-01 6712 1 1 1 1 116 TRP HZ2 7.162 . 7.28 0.33 7.2066e-01 6712 1 1 1 1 116 TRP HZ3 6.845 . 6.86 0.4 9.7009e-01 6712 1 1 1 1 116 TRP HH2 6.772 . 6.98 0.39 5.9380e-01 6712 1 1 1 1 116 TRP N 119.976 . 121.68 4.18 6.8353e-01 6712 1 1 1 1 116 TRP NE1 127.791 . 129.32 2.11 4.6867e-01 6712 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 1 116 TRP TRP 0.55 6712 1 1 1 1 116 TRP CYS 0.44 6712 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6712 _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 6712 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6712 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6712 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6712 _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_