data_AVS_bmrb_pdb_report_18812 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18812 _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 1 100 TRP Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 18812 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 1 100 TRP CB 52.3 A 30.01 2.01 1.4099e-28 18812 1 1 1 1 100 TRP CD1 126.5 . 126.51 1.83 9.9564e-01 18812 1 1 1 1 100 TRP CE3 120.6 . 120.43 1.79 9.2434e-01 18812 1 1 1 1 100 TRP CZ2 114.4 . 114.26 1.12 9.0052e-01 18812 1 1 1 1 100 TRP CZ3 121.9 . 121.35 1.53 7.1924e-01 18812 1 1 1 1 100 TRP CH2 125.2 . 123.86 1.42 3.4534e-01 18812 1 1 1 1 100 TRP H 7.82 . 8.29 0.79 5.5189e-01 18812 1 1 1 1 100 TRP HB2 3.25 . 3.19 0.35 8.6389e-01 18812 1 1 1 1 100 TRP HB3 2.81 . 3.12 0.36 3.8918e-01 18812 1 1 1 1 100 TRP HD1 7.53 . 7.14 0.36 2.7866e-01 18812 1 1 1 1 100 TRP HE1 10.25 . 10.08 0.66 7.9673e-01 18812 1 1 1 1 100 TRP HE3 7.87 . 7.31 0.41 1.7198e-01 18812 1 1 1 1 100 TRP HZ2 7.47 . 7.28 0.33 5.6478e-01 18812 1 1 1 1 100 TRP HZ3 7.07 . 6.86 0.4 5.9958e-01 18812 1 1 1 1 100 TRP HH2 7.26 . 6.98 0.39 4.7279e-01 18812 1 1 1 1 100 TRP N 123.6 . 121.68 4.18 6.4600e-01 18812 1 1 1 1 100 TRP NE1 128.4 . 129.32 2.11 6.6282e-01 18812 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 1 100 TRP GLY 1 18812 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18812 _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 18812 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18812 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18812 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18812 _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_