data_AVS_bmrb_pdb_report_15599 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15599 _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 49 TRP Anomalous Consistent Consistent Consistent Anomalous Suspicious . . 15599 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 49 TRP CA 56.339 . 57.71 2.65 6.0491e-01 15599 1 1 1 1 49 TRP CB 28.995 . 30.16 2.19 5.9475e-01 15599 1 1 1 1 49 TRP CD1 130.254 A 126.16 1.76 2.0011e-02 15599 1 1 1 1 49 TRP CE3 121.632 . 120.38 1.5 4.0391e-01 15599 1 1 1 1 49 TRP CZ2 114.823 . 114.19 1.09 5.6142e-01 15599 1 1 1 1 49 TRP CZ3 121.770 . 121.57 1.76 9.0953e-01 15599 1 1 1 1 49 TRP CH2 123.766 . 123.75 1.34 9.9047e-01 15599 1 1 1 1 49 TRP HA 4.420 . 4.74 0.55 5.6069e-01 15599 1 1 1 1 49 TRP HB2 3.210 . 3.22 0.36 9.7784e-01 15599 1 1 1 1 49 TRP HB3 3.580 . 3.18 0.36 2.6652e-01 15599 1 1 1 1 49 TRP HD1 7.499 . 7.16 0.34 3.1874e-01 15599 1 1 1 1 49 TRP HE1 9.476 . 10.13 0.53 2.1722e-01 15599 1 1 1 1 49 TRP HE3 7.381 . 7.17 1.03 8.3769e-01 15599 1 1 1 1 49 TRP HZ2 6.832 . 7.14 0.89 7.2929e-01 15599 1 1 1 1 49 TRP HZ3 6.939 . 6.68 1.02 7.9956e-01 15599 1 1 1 1 49 TRP HH2 7.034 . 6.82 0.94 8.1991e-01 15599 1 1 1 1 49 TRP NE1 108.560 S 129.48 2.56 3.0363e-16 15599 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 49 TRP CYS 0.54 15599 1 1 1 1 49 TRP TRP 0.29 15599 1 1 1 1 49 TRP HIS 0.15 15599 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15599 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _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 15599 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15599 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15599 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15599 _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_