data_AVS_bmrb_pdb_report_11224 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11224 _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 37 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11224 1 1 1 1 57 SER Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11224 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 37 LYS C 175.669 . 176.46 2.05 6.9960e-01 11224 1 1 1 1 37 LYS CA 55.619 . 56.84 2.25 5.8736e-01 11224 1 1 1 1 37 LYS CB 31.834 . 32.83 1.88 5.9626e-01 11224 1 1 1 1 37 LYS CG 24.802 . 24.91 1.31 9.3429e-01 11224 1 1 1 1 37 LYS CD 29.905 . 28.78 1.39 4.1831e-01 11224 1 1 1 1 37 LYS CE 41.408 . 41.78 0.98 7.0425e-01 11224 1 1 1 1 37 LYS H 8.382 . 8.22 0.64 8.0017e-01 11224 1 1 1 1 37 LYS HA 2.889 . 4.28 0.45 1.9941e-03 11224 1 1 1 1 37 LYS HB2 1.265 . 1.79 0.25 3.5729e-02 11224 1 1 1 1 37 LYS HB3 0.876 S 1.78 0.26 5.0720e-04 11224 1 1 1 1 37 LYS HG2 -1.180 A 1.38 0.27 2.5070e-21 11224 1 1 1 1 37 LYS HG3 0.522 . 1.37 0.29 3.4541e-03 11224 1 1 1 1 37 LYS HD2 0.970 . 1.61 0.25 1.0467e-02 11224 1 1 1 1 37 LYS HD3 1.179 . 1.61 0.25 8.4708e-02 11224 1 1 1 1 37 LYS HE2 2.072 S 2.93 0.2 1.7867e-05 11224 1 1 1 1 37 LYS HE3 2.294 . 2.93 0.2 1.4728e-03 11224 1 1 1 1 37 LYS N 127.425 . 121.16 4.11 1.2743e-01 11224 1 1 1 1 57 SER C 174.547 . 174.53 1.73 9.9216e-01 11224 1 1 1 1 57 SER CA 60.702 . 58.57 2.12 3.1458e-01 11224 1 1 1 1 57 SER CB 60.459 . 63.8 1.57 3.3335e-02 11224 1 1 1 1 57 SER H 7.850 . 8.29 0.62 4.7790e-01 11224 1 1 1 1 57 SER HA 2.732 S 4.51 0.43 3.5513e-05 11224 1 1 1 1 57 SER HB2 1.628 S 3.88 0.29 8.1313e-15 11224 1 1 1 1 57 SER HB3 1.254 A 3.87 0.31 3.2086e-17 11224 1 1 1 1 57 SER N 120.966 . 116.3 3.95 2.3750e-01 11224 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 37 LYS LYS 0.45 11224 1 1 1 1 37 LYS CYS 0.4 11224 1 1 1 1 37 LYS ARG 0.13 11224 1 1 1 1 57 SER SER 0.99 11224 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11224 _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 11224 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11224 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11224 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11224 _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_