data_AVS_bmrb_pdb_report_17236 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17236 _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 17 CYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17236 1 1 1 1 73 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 17236 1 1 1 1 76 MET Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 17236 1 1 1 1 80 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 17236 1 1 1 2 1 FE UNSUPPORTED . . . . . . . 17236 1 1 1 3 1 HEC UNSUPPORTED . . . . . . . 17236 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 17 CYS C 174.4 . 174.78 1.99 8.4856e-01 17236 1 1 1 1 17 CYS CA 55.9 . 57.43 3.41 6.5366e-01 17236 1 1 1 1 17 CYS CB 38.5 . 34.15 6.77 5.2052e-01 17236 1 1 1 1 17 CYS H 9.44 . 8.42 0.66 1.2224e-01 17236 1 1 1 1 17 CYS HA 7.11 A 4.73 0.57 2.9741e-05 17236 1 1 1 1 17 CYS N 116.9 . 119.95 4.79 5.2429e-01 17236 1 1 1 1 73 ARG C 170.2 . 176.49 2.16 3.5908e-03 17236 1 1 1 1 73 ARG CA 53.0 . 56.95 2.41 1.0121e-01 17236 1 1 1 1 73 ARG CB 22.5 A 30.66 1.77 4.0234e-06 17236 1 1 1 1 73 ARG H 7.74 . 8.24 0.6 4.0466e-01 17236 1 1 1 1 73 ARG N 109.4 . 120.61 3.9 4.0485e-03 17236 1 1 1 1 76 MET C 171.4 . 176.3 2.13 2.1422e-02 17236 1 1 1 1 76 MET CA 63.6 A 56.16 2.34 1.4754e-03 17236 1 1 1 1 76 MET CB 13.7 A 32.9 2.23 7.3146e-18 17236 1 1 1 1 76 MET H 6.84 . 8.26 0.6 1.7949e-02 17236 1 1 1 1 76 MET N 124.9 . 120.1 3.88 2.1604e-01 17236 1 1 1 1 80 ARG C 171.5 . 176.49 2.16 2.0878e-02 17236 1 1 1 1 80 ARG CA 53.3 . 56.95 2.41 1.2989e-01 17236 1 1 1 1 80 ARG CB 23.4 A 30.66 1.77 4.1013e-05 17236 1 1 1 1 80 ARG H 9.29 . 8.24 0.6 8.0118e-02 17236 1 1 1 1 80 ARG N 118.4 . 120.61 3.9 5.7094e-01 17236 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 17 CYS CYS 0.22 17236 1 1 1 1 17 CYS TYR 0.21 17236 1 1 1 1 17 CYS PHE 0.16 17236 1 1 1 1 17 CYS ASN 0.13 17236 1 1 1 1 17 CYS ASP 0.1 17236 1 1 1 1 17 CYS GLU 0.06 17236 1 1 1 1 17 CYS ILE 0.03 17236 1 1 1 1 17 CYS LEU 0.03 17236 1 1 1 1 17 CYS MET 0.01 17236 1 1 1 1 73 ARG LEU 0.43 17236 1 1 1 1 73 ARG ALA 0.2 17236 1 1 1 1 73 ARG MET 0.16 17236 1 1 1 1 73 ARG CYS 0.13 17236 1 1 1 1 73 ARG LYS 0.05 17236 1 1 1 1 76 MET ILE 0.99 17236 1 1 1 1 80 ARG LEU 0.53 17236 1 1 1 1 80 ARG LYS 0.15 17236 1 1 1 1 80 ARG CYS 0.13 17236 1 1 1 1 80 ARG MET 0.09 17236 1 1 1 1 80 ARG ALA 0.05 17236 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17236 _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 17236 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17236 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17236 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17236 _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_