data_AVS_bmrb_pdb_report_11073 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11073 _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 38 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11073 1 1 1 1 40 TRP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 11073 1 1 1 2 1 JH3 UNSUPPORTED . . . . . . . 11073 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 38 ASP C 173.461 . 176.41 1.77 9.5693e-02 11073 1 1 1 1 38 ASP CA 55.436 . 54.52 2.1 6.6270e-01 11073 1 1 1 1 38 ASP CB 40.402 . 40.7 1.67 8.5838e-01 11073 1 1 1 1 38 ASP CG 181.689 A 178.41 1.84 7.4739e-02 11073 1 1 1 1 38 ASP H 8.286 . 8.33 0.57 9.3847e-01 11073 1 1 1 1 38 ASP HA 4.468 . 4.61 0.31 6.4691e-01 11073 1 1 1 1 38 ASP HB2 2.510 . 2.74 0.29 4.2772e-01 11073 1 1 1 1 38 ASP HB3 3.303 . 2.7 0.29 3.7589e-02 11073 1 1 1 1 38 ASP N 117.985 . 120.73 4.2 5.1339e-01 11073 1 1 1 1 40 TRP C 173.559 . 176.1 1.89 1.7880e-01 11073 1 1 1 1 40 TRP CA 52.992 . 57.71 2.65 7.5014e-02 11073 1 1 1 1 40 TRP CB 28.504 . 30.16 2.19 4.4955e-01 11073 1 1 1 1 40 TRP CD1 124.107 . 126.16 1.76 2.4342e-01 11073 1 1 1 1 40 TRP CE3 120.143 . 120.38 1.5 8.7446e-01 11073 1 1 1 1 40 TRP CZ2 113.529 . 114.19 1.09 5.4423e-01 11073 1 1 1 1 40 TRP CZ3 121.095 . 121.57 1.76 7.8725e-01 11073 1 1 1 1 40 TRP CH2 124.349 . 123.75 1.34 6.5486e-01 11073 1 1 1 1 40 TRP H 10.148 . 8.35 0.84 3.2316e-02 11073 1 1 1 1 40 TRP HA 5.168 . 4.74 0.55 4.3646e-01 11073 1 1 1 1 40 TRP HB2 3.050 . 3.22 0.36 6.3677e-01 11073 1 1 1 1 40 TRP HB3 3.323 . 3.18 0.36 6.9120e-01 11073 1 1 1 1 40 TRP HD1 6.706 . 7.16 0.34 1.8178e-01 11073 1 1 1 1 40 TRP HE1 9.844 . 10.13 0.53 5.8946e-01 11073 1 1 1 1 40 TRP HE3 7.431 . 7.17 1.03 7.9996e-01 11073 1 1 1 1 40 TRP HZ2 7.105 . 7.14 0.89 9.6863e-01 11073 1 1 1 1 40 TRP HZ3 6.894 . 6.68 1.02 8.3382e-01 11073 1 1 1 1 40 TRP HH2 7.014 . 6.82 0.94 8.3649e-01 11073 1 1 1 1 40 TRP N 138.107 A 121.87 4.58 3.9232e-04 11073 1 1 1 1 40 TRP NE1 128.618 . 129.48 2.56 7.3633e-01 11073 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 38 ASP CYS 0.6 11073 1 1 1 1 38 ASP ASP 0.36 11073 1 1 1 1 38 ASP GLU 0.02 11073 1 1 1 1 40 TRP TRP 0.59 11073 1 1 1 1 40 TRP CYS 0.39 11073 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11073 _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 11073 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11073 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11073 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11073 _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_