data_AVS_bmrb_pdb_report_6494 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6494 _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 6494 1 1 1 1 7 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6494 1 1 1 1 79 MET Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6494 1 1 1 1 93 MET Anomalous Consistent Consistent Consistent Consistent Anomalous . . 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 6494 1 1 1 1 7 ARG C 175.900 . 176.49 2.16 7.8474e-01 6494 1 1 1 1 7 ARG CA 53.300 . 56.95 2.41 1.2989e-01 6494 1 1 1 1 7 ARG H 11.910 M 8.24 0.6 9.5553e-10 6494 1 1 1 1 7 ARG HA 5.390 . 4.27 0.44 1.0914e-02 6494 1 1 1 1 7 ARG N 130.800 . 120.61 3.9 8.9798e-03 6494 1 1 1 1 79 MET C 175.200 . 176.3 2.13 6.0555e-01 6494 1 1 1 1 79 MET CA 57.100 . 56.16 2.34 6.8790e-01 6494 1 1 1 1 79 MET CB 34.100 . 32.9 2.23 5.9050e-01 6494 1 1 1 1 79 MET H 10.650 M 8.26 0.6 6.7955e-05 6494 1 1 1 1 79 MET HA 3.970 . 4.39 0.46 3.6122e-01 6494 1 1 1 1 79 MET N 126.200 . 120.1 3.88 1.1591e-01 6494 1 1 1 1 93 MET C 173.500 . 176.3 2.13 1.8866e-01 6494 1 1 1 1 93 MET CA 54.600 . 56.16 2.34 5.0499e-01 6494 1 1 1 1 93 MET CB 35.400 . 32.9 2.23 2.6226e-01 6494 1 1 1 1 93 MET H 10.190 . 8.26 0.6 1.2969e-03 6494 1 1 1 1 93 MET HA 4.690 . 4.39 0.46 5.1429e-01 6494 1 1 1 1 93 MET N 134.200 M 120.1 3.88 2.7904e-04 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 6494 1 1 1 1 7 ARG ASN 0.23 6494 1 1 1 1 7 ARG ALA 0.23 6494 1 1 1 1 7 ARG ASP 0.13 6494 1 1 1 1 7 ARG LEU 0.07 6494 1 1 1 1 7 ARG CYS 0.05 6494 1 1 1 1 7 ARG MET 0.05 6494 1 1 1 1 7 ARG HIS 0.04 6494 1 1 1 1 7 ARG ARG 0.03 6494 1 1 1 1 7 ARG GLN 0.03 6494 1 1 1 1 7 ARG LYS 0.02 6494 1 1 1 1 7 ARG TRP 0.02 6494 1 1 1 1 7 ARG TYR 0.01 6494 1 1 1 1 7 ARG PHE 0.01 6494 1 1 1 1 7 ARG GLU 0.01 6494 1 1 1 1 79 MET CYS 0.21 6494 1 1 1 1 79 MET GLN 0.19 6494 1 1 1 1 79 MET MET 0.16 6494 1 1 1 1 79 MET LYS 0.16 6494 1 1 1 1 79 MET GLU 0.09 6494 1 1 1 1 79 MET TRP 0.04 6494 1 1 1 1 79 MET VAL 0.03 6494 1 1 1 1 79 MET ARG 0.03 6494 1 1 1 1 79 MET HIS 0.03 6494 1 1 1 1 79 MET TYR 0.01 6494 1 1 1 1 93 MET CYS 0.29 6494 1 1 1 1 93 MET MET 0.18 6494 1 1 1 1 93 MET GLU 0.16 6494 1 1 1 1 93 MET LYS 0.1 6494 1 1 1 1 93 MET GLN 0.08 6494 1 1 1 1 93 MET ASN 0.06 6494 1 1 1 1 93 MET TYR 0.04 6494 1 1 1 1 93 MET PHE 0.01 6494 1 1 1 1 93 MET HIS 0.01 6494 1 1 1 1 93 MET TRP 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6494 _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 6494 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 6494 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6494 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6494 _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_