data_AVS_bmrb_pdb_report_5665 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5665 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5665 1 1 1 1 14 CYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5665 1 1 1 1 39 CYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5665 1 1 1 1 57 HIS Anomalous Consistent Consistent Anomalous Consistent Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5665 1 1 1 1 14 CYS C 180.732 M 174.78 1.99 2.7811e-03 5665 1 1 1 1 14 CYS CA 61.103 . 57.43 3.41 2.8142e-01 5665 1 1 1 1 14 CYS CB 31.357 . 34.15 6.77 6.7993e-01 5665 1 1 1 1 14 CYS H 9.166 . 8.42 0.66 2.5835e-01 5665 1 1 1 1 14 CYS HA 4.025 . 4.73 0.57 2.1615e-01 5665 1 1 1 1 14 CYS HB2 3.483 . 2.95 0.43 2.1515e-01 5665 1 1 1 1 14 CYS HB3 2.695 . 2.98 0.45 5.2652e-01 5665 1 1 1 1 14 CYS N 122.868 . 119.95 4.79 5.4240e-01 5665 1 1 1 1 39 CYS C 181.040 M 174.78 1.99 1.6567e-03 5665 1 1 1 1 39 CYS CA 65.571 . 57.43 3.41 1.6968e-02 5665 1 1 1 1 39 CYS CB 27.364 . 34.15 6.77 3.1617e-01 5665 1 1 1 1 39 CYS H 9.201 . 8.42 0.66 2.3668e-01 5665 1 1 1 1 39 CYS HA 4.030 . 4.73 0.57 2.1942e-01 5665 1 1 1 1 39 CYS HB2 3.043 . 2.95 0.43 8.2877e-01 5665 1 1 1 1 39 CYS HB3 2.541 . 2.98 0.45 3.2928e-01 5665 1 1 1 1 39 CYS N 127.261 . 119.95 4.79 1.2693e-01 5665 1 1 1 1 57 HIS CA 57.233 . 56.37 2.4 7.1916e-01 5665 1 1 1 1 57 HIS CB 30.681 . 29.95 2.15 7.3386e-01 5665 1 1 1 1 57 HIS H 7.859 . 8.25 0.74 5.9724e-01 5665 1 1 1 1 57 HIS HD1 3.794 M 10.14 3.5 6.9810e-02 5665 1 1 1 1 57 HIS HD2 3.653 S 7.08 0.5 7.1813e-12 5665 1 1 1 1 57 HIS N 124.186 . 119.44 4.52 2.9372e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5665 1 1 1 1 14 CYS VAL 0.27 5665 1 1 1 1 14 CYS CYS 0.19 5665 1 1 1 1 14 CYS PRO 0.15 5665 1 1 1 1 14 CYS ILE 0.1 5665 1 1 1 1 14 CYS ARG 0.08 5665 1 1 1 1 14 CYS GLU 0.07 5665 1 1 1 1 14 CYS LYS 0.04 5665 1 1 1 1 14 CYS HIS 0.04 5665 1 1 1 1 14 CYS GLN 0.02 5665 1 1 1 1 39 CYS PRO 0.48 5665 1 1 1 1 39 CYS ILE 0.45 5665 1 1 1 1 39 CYS CYS 0.04 5665 1 1 1 1 39 CYS VAL 0.01 5665 1 1 1 1 57 HIS ARG 0.19 5665 1 1 1 1 57 HIS GLU 0.18 5665 1 1 1 1 57 HIS HIS 0.17 5665 1 1 1 1 57 HIS CYS 0.16 5665 1 1 1 1 57 HIS GLN 0.13 5665 1 1 1 1 57 HIS LYS 0.09 5665 1 1 1 1 57 HIS VAL 0.02 5665 1 1 1 1 57 HIS ILE 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5665 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 5665 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 5665 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5665 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5665 _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_