data_AVS_bmrb_pdb_report_6723 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6723 _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 6723 1 1 1 1 38 MET Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6723 1 1 1 1 120 ARG Anomalous Suspicious Consistent Consistent Anomalous 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 6723 1 1 1 1 38 MET CA 53.652 . 56.16 2.34 2.8381e-01 6723 1 1 1 1 38 MET CB 33.671 . 32.9 2.23 7.2954e-01 6723 1 1 1 1 38 MET CG 30.202 . 32.07 1.45 1.9765e-01 6723 1 1 1 1 38 MET CE 17.122 . 17.21 3.42 9.7947e-01 6723 1 1 1 1 38 MET H 9.355 . 8.26 0.6 6.8001e-02 6723 1 1 1 1 38 MET HA 4.665 . 4.39 0.46 5.4996e-01 6723 1 1 1 1 38 MET HB2 1.748 . 2.03 0.38 4.5802e-01 6723 1 1 1 1 38 MET HB3 2.109 . 2.01 0.36 7.8332e-01 6723 1 1 1 1 38 MET HG2 2.131 . 2.44 0.36 3.9071e-01 6723 1 1 1 1 38 MET HG3 2.582 . 2.41 0.4 6.6720e-01 6723 1 1 1 1 38 MET HE 1.877 . 1.86 0.47 9.7115e-01 6723 1 1 1 1 38 MET N 131.974 M 120.1 3.88 2.2111e-03 6723 1 1 1 1 120 ARG CA 30.941 M 56.95 2.41 3.7505e-27 6723 1 1 1 1 120 ARG CB 30.210 . 30.66 1.77 7.9931e-01 6723 1 1 1 1 120 ARG H 8.088 . 8.24 0.6 8.0001e-01 6723 1 1 1 1 120 ARG HA 4.390 . 4.27 0.44 7.8506e-01 6723 1 1 1 1 120 ARG HB2 1.794 . 1.79 0.28 9.8860e-01 6723 1 1 1 1 120 ARG HB3 1.898 . 1.78 0.28 6.7344e-01 6723 1 1 1 1 120 ARG N 124.181 . 120.61 3.9 3.5986e-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 6723 1 1 1 1 38 MET ALA 0.51 6723 1 1 1 1 38 MET MET 0.48 6723 1 1 1 1 120 ARG MET 0.45 6723 1 1 1 1 120 ARG LYS 0.45 6723 1 1 1 1 120 ARG GLN 0.04 6723 1 1 1 1 120 ARG PRO 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6723 _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 6723 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 6723 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6723 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6723 _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_