data_AVS_bmrb_pdb_report_11308 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11308 _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 83 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11308 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 11308 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 83 TRP C 174.440 . 176.1 1.89 3.7978e-01 11308 1 1 1 1 83 TRP CA 57.209 . 57.71 2.65 8.5005e-01 11308 1 1 1 1 83 TRP CB 26.421 . 30.16 2.19 8.7765e-02 11308 1 1 1 1 83 TRP CD1 127.530 . 126.16 1.76 4.3633e-01 11308 1 1 1 1 83 TRP CE3 117.670 . 120.38 1.5 7.0814e-02 11308 1 1 1 1 83 TRP CZ2 114.612 . 114.19 1.09 6.9864e-01 11308 1 1 1 1 83 TRP CZ3 121.642 . 121.57 1.76 9.6737e-01 11308 1 1 1 1 83 TRP CH2 123.711 . 123.75 1.34 9.7678e-01 11308 1 1 1 1 83 TRP H 5.568 A 8.35 0.84 9.2663e-04 11308 1 1 1 1 83 TRP HA 4.448 . 4.74 0.55 5.9548e-01 11308 1 1 1 1 83 TRP HB2 3.303 . 3.22 0.36 8.1766e-01 11308 1 1 1 1 83 TRP HB3 2.109 . 3.18 0.36 2.9299e-03 11308 1 1 1 1 83 TRP HD1 6.913 . 7.16 0.34 4.6755e-01 11308 1 1 1 1 83 TRP HE1 9.944 . 10.13 0.53 7.2563e-01 11308 1 1 1 1 83 TRP HE3 6.569 . 7.17 1.03 5.5956e-01 11308 1 1 1 1 83 TRP HZ2 6.850 . 7.14 0.89 7.4454e-01 11308 1 1 1 1 83 TRP HZ3 6.640 . 6.68 1.02 9.6872e-01 11308 1 1 1 1 83 TRP HH2 5.955 . 6.82 0.94 3.5746e-01 11308 1 1 1 1 83 TRP N 111.808 . 121.87 4.58 2.8025e-02 11308 1 1 1 1 83 TRP NE1 132.765 . 129.48 2.56 1.9942e-01 11308 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 83 TRP TRP 0.56 11308 1 1 1 1 83 TRP CYS 0.41 11308 1 1 1 1 83 TRP HIS 0.01 11308 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11308 _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 11308 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11308 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11308 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11308 _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_