data_AVS_bmrb_pdb_report_15873 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15873 _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 7 LYS Anomalous Suspicious Consistent Consistent Anomalous Indeterminable . . 15873 1 1 1 1 44 MET Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 15873 1 1 1 1 64 LYS Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 15873 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 7 LYS CA 37.775 A 56.84 2.25 2.3847e-17 15873 1 1 1 1 7 LYS CB 33.150 . 32.83 1.88 8.6484e-01 15873 1 1 1 1 7 LYS HA 4.376 . 4.28 0.45 8.3107e-01 15873 1 1 1 1 7 LYS HB2 1.780 . 1.79 0.25 9.6809e-01 15873 1 1 1 1 7 LYS HB3 1.550 . 1.78 0.26 3.7636e-01 15873 1 1 1 1 44 MET CA 36.030 A 56.16 2.34 7.7955e-18 15873 1 1 1 1 44 MET CB 34.947 . 32.9 2.23 3.5865e-01 15873 1 1 1 1 44 MET CG 29.178 . 32.07 1.45 4.6099e-02 15873 1 1 1 1 44 MET H 7.424 . 8.26 0.6 1.6352e-01 15873 1 1 1 1 44 MET HA 4.753 . 4.39 0.46 4.3004e-01 15873 1 1 1 1 44 MET HB2 2.422 . 2.03 0.38 3.0227e-01 15873 1 1 1 1 44 MET HB3 2.155 . 2.01 0.36 6.8711e-01 15873 1 1 1 1 44 MET HG2 2.450 . 2.44 0.36 9.7784e-01 15873 1 1 1 1 44 MET HG3 2.496 . 2.41 0.4 8.2977e-01 15873 1 1 1 1 44 MET HE1 2.069 . 1.86 0.47 6.5655e-01 15873 1 1 1 1 44 MET HE2 2.069 . 1.86 0.47 6.5655e-01 15873 1 1 1 1 44 MET HE3 2.069 . 1.86 0.47 6.5655e-01 15873 1 1 1 1 44 MET N 111.703 . 120.1 3.88 3.0451e-02 15873 1 1 1 1 64 LYS CA 34.628 A 56.84 2.25 5.5056e-23 15873 1 1 1 1 64 LYS CB 32.588 . 32.83 1.88 8.9758e-01 15873 1 1 1 1 64 LYS H 7.546 . 8.22 0.64 2.9228e-01 15873 1 1 1 1 64 LYS HA 4.468 . 4.28 0.45 6.7611e-01 15873 1 1 1 1 64 LYS HB2 2.060 . 1.79 0.25 2.8014e-01 15873 1 1 1 1 64 LYS HB3 1.600 . 1.78 0.26 4.8874e-01 15873 1 1 1 1 64 LYS HG2 1.410 . 1.38 0.27 9.1153e-01 15873 1 1 1 1 64 LYS HD2 1.660 . 1.61 0.25 8.4148e-01 15873 1 1 1 1 64 LYS HE2 2.840 . 2.93 0.2 6.5271e-01 15873 1 1 1 1 64 LYS N 114.016 . 121.16 4.11 8.2176e-02 15873 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 7 LYS GLU 0.49 15873 1 1 1 1 7 LYS MET 0.27 15873 1 1 1 1 7 LYS ILE 0.22 15873 1 1 1 1 44 MET LYS 0.98 15873 1 1 1 1 64 LYS MET 0.62 15873 1 1 1 1 64 LYS GLU 0.23 15873 1 1 1 1 64 LYS GLN 0.13 15873 1 1 1 1 64 LYS ILE 0.01 15873 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15873 _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 15873 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15873 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15873 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15873 _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_