data_AVS_bmrb_pdb_report_17307 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17307 _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 56 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17307 1 1 1 2 4 MK8 UNSUPPORTED . . . . . . . 17307 1 1 1 2 8 MK8 UNSUPPORTED . . . . . . . 17307 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 56 LYS C 179.690 . 176.46 2.05 1.1512e-01 17307 1 1 1 1 56 LYS CA 61.036 . 56.84 2.25 6.2197e-02 17307 1 1 1 1 56 LYS CB 32.066 . 32.83 1.88 6.8446e-01 17307 1 1 1 1 56 LYS CG 27.051 . 24.91 1.31 1.0219e-01 17307 1 1 1 1 56 LYS CD 29.553 . 28.78 1.39 5.7813e-01 17307 1 1 1 1 56 LYS CE 42.803 . 41.78 0.98 2.9654e-01 17307 1 1 1 1 56 LYS H 8.043 . 8.22 0.64 7.8212e-01 17307 1 1 1 1 56 LYS HA 3.718 . 4.28 0.45 2.1171e-01 17307 1 1 1 1 56 LYS HB2 0.851 S 1.79 0.25 1.7265e-04 17307 1 1 1 1 56 LYS HB3 1.429 . 1.78 0.26 1.7702e-01 17307 1 1 1 1 56 LYS HG2 0.486 S 1.38 0.27 9.2926e-04 17307 1 1 1 1 56 LYS HG3 1.396 . 1.37 0.29 9.2856e-01 17307 1 1 1 1 56 LYS HD2 0.285 A 1.61 0.25 1.1580e-07 17307 1 1 1 1 56 LYS HD3 0.844 . 1.61 0.25 2.1840e-03 17307 1 1 1 1 56 LYS HE2 2.385 . 2.93 0.2 6.4301e-03 17307 1 1 1 1 56 LYS HE3 2.841 . 2.93 0.2 6.5632e-01 17307 1 1 1 1 56 LYS N 120.099 . 121.16 4.11 7.9629e-01 17307 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 56 LYS CYS 0.42 17307 1 1 1 1 56 LYS ARG 0.38 17307 1 1 1 1 56 LYS LYS 0.13 17307 1 1 1 1 56 LYS GLY 0.05 17307 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17307 _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 17307 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17307 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17307 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17307 _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_