data_AVS_bmrb_pdb_report_7360 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7360 _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 4 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 7360 1 1 1 1 57 HIS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 7360 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 4 LYS CA 53.030 . 56.84 2.25 9.0392e-02 7360 1 1 1 1 4 LYS CB 33.556 . 32.83 1.88 6.9937e-01 7360 1 1 1 1 4 LYS CG 22.216 . 24.91 1.31 3.9735e-02 7360 1 1 1 1 4 LYS CD 26.688 . 28.78 1.39 1.3231e-01 7360 1 1 1 1 4 LYS CE 39.857 . 41.78 0.98 4.9734e-02 7360 1 1 1 1 4 LYS H 11.595 A 8.22 0.64 1.3389e-07 7360 1 1 1 1 4 LYS HA 4.971 . 4.28 0.45 1.2465e-01 7360 1 1 1 1 4 LYS HB2 2.101 . 1.79 0.25 2.1350e-01 7360 1 1 1 1 4 LYS HB3 2.053 . 1.78 0.26 2.9372e-01 7360 1 1 1 1 4 LYS HG2 1.664 . 1.38 0.27 2.9287e-01 7360 1 1 1 1 4 LYS HG3 1.664 . 1.37 0.29 3.1068e-01 7360 1 1 1 1 4 LYS HD2 1.917 . 1.61 0.25 2.1945e-01 7360 1 1 1 1 4 LYS HD3 1.917 . 1.61 0.25 2.1945e-01 7360 1 1 1 1 4 LYS HE2 3.177 . 2.93 0.2 2.1683e-01 7360 1 1 1 1 4 LYS HE3 3.177 . 2.93 0.2 2.1683e-01 7360 1 1 1 1 4 LYS N 127.256 . 121.16 4.11 1.3802e-01 7360 1 1 1 1 57 HIS CA 54.177 . 56.37 2.4 3.6085e-01 7360 1 1 1 1 57 HIS CB 27.758 . 29.95 2.15 3.0795e-01 7360 1 1 1 1 57 HIS H 11.389 A 8.25 0.74 2.2164e-05 7360 1 1 1 1 57 HIS HA 4.111 . 4.62 0.51 3.1826e-01 7360 1 1 1 1 57 HIS HB2 3.014 . 3.12 0.43 8.0529e-01 7360 1 1 1 1 57 HIS HB3 2.506 . 3.11 0.45 1.7952e-01 7360 1 1 1 1 57 HIS N 112.645 . 119.44 4.52 1.3276e-01 7360 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 4 LYS CYS 0.64 7360 1 1 1 1 4 LYS ALA 0.29 7360 1 1 1 1 4 LYS LYS 0.03 7360 1 1 1 1 4 LYS MET 0.01 7360 1 1 1 1 4 LYS ARG 0.01 7360 1 1 1 1 57 HIS LEU 0.2 7360 1 1 1 1 57 HIS ARG 0.17 7360 1 1 1 1 57 HIS GLN 0.14 7360 1 1 1 1 57 HIS CYS 0.13 7360 1 1 1 1 57 HIS HIS 0.13 7360 1 1 1 1 57 HIS LYS 0.12 7360 1 1 1 1 57 HIS GLU 0.05 7360 1 1 1 1 57 HIS MET 0.01 7360 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7360 _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 7360 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 7360 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 7360 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7360 _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_