data_AVS_bmrb_pdb_report_6495 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6495 _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 6495 1 1 1 1 7 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6495 1 1 1 1 23 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6495 1 1 1 1 79 MET Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6495 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 6495 1 1 1 1 7 ARG C 177.000 . 176.49 2.16 8.1335e-01 6495 1 1 1 1 7 ARG CA 51.400 . 56.95 2.41 2.1284e-02 6495 1 1 1 1 7 ARG H 12.020 M 8.24 0.6 2.9765e-10 6495 1 1 1 1 7 ARG HA 5.130 . 4.27 0.44 5.0637e-02 6495 1 1 1 1 7 ARG N 129.700 . 120.61 3.9 1.9766e-02 6495 1 1 1 1 23 LYS C 182.200 M 176.46 2.05 5.1103e-03 6495 1 1 1 1 23 LYS CA 57.300 . 56.84 2.25 8.3801e-01 6495 1 1 1 1 23 LYS H 8.640 . 8.22 0.64 5.1166e-01 6495 1 1 1 1 23 LYS HA 4.110 . 4.28 0.45 7.0560e-01 6495 1 1 1 1 23 LYS N 117.700 . 121.16 4.11 3.9987e-01 6495 1 1 1 1 79 MET C 175.200 . 176.3 2.13 6.0555e-01 6495 1 1 1 1 79 MET CA 57.200 . 56.16 2.34 6.5672e-01 6495 1 1 1 1 79 MET H 11.890 M 8.26 0.6 1.4485e-09 6495 1 1 1 1 79 MET HA 3.920 . 4.39 0.46 3.0690e-01 6495 1 1 1 1 79 MET N 127.300 . 120.1 3.88 6.3501e-02 6495 1 1 1 1 93 MET C 172.800 . 176.3 2.13 1.0034e-01 6495 1 1 1 1 93 MET CA 54.700 . 56.16 2.34 5.3267e-01 6495 1 1 1 1 93 MET H 10.180 . 8.26 0.6 1.3743e-03 6495 1 1 1 1 93 MET HA 4.700 . 4.39 0.46 5.0037e-01 6495 1 1 1 1 93 MET N 134.800 M 120.1 3.88 1.5146e-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 6495 1 1 1 1 7 ARG ALA 0.27 6495 1 1 1 1 7 ARG ASN 0.2 6495 1 1 1 1 7 ARG PRO 0.19 6495 1 1 1 1 7 ARG ASP 0.09 6495 1 1 1 1 7 ARG CYS 0.05 6495 1 1 1 1 7 ARG LEU 0.03 6495 1 1 1 1 7 ARG MET 0.02 6495 1 1 1 1 7 ARG HIS 0.02 6495 1 1 1 1 7 ARG ARG 0.01 6495 1 1 1 1 7 ARG TRP 0.01 6495 1 1 1 1 7 ARG GLN 0.01 6495 1 1 1 1 7 ARG LYS 0.01 6495 1 1 1 1 23 LYS CYS 0.1 6495 1 1 1 1 23 LYS GLU 0.09 6495 1 1 1 1 23 LYS ARG 0.09 6495 1 1 1 1 23 LYS TRP 0.09 6495 1 1 1 1 23 LYS LYS 0.08 6495 1 1 1 1 23 LYS TYR 0.08 6495 1 1 1 1 23 LYS GLN 0.07 6495 1 1 1 1 23 LYS PHE 0.07 6495 1 1 1 1 23 LYS HIS 0.07 6495 1 1 1 1 23 LYS MET 0.06 6495 1 1 1 1 23 LYS SER 0.05 6495 1 1 1 1 23 LYS LEU 0.04 6495 1 1 1 1 23 LYS ASP 0.01 6495 1 1 1 1 23 LYS ILE 0.01 6495 1 1 1 1 79 MET CYS 0.09 6495 1 1 1 1 79 MET GLU 0.09 6495 1 1 1 1 79 MET ARG 0.09 6495 1 1 1 1 79 MET LYS 0.08 6495 1 1 1 1 79 MET TRP 0.08 6495 1 1 1 1 79 MET GLN 0.08 6495 1 1 1 1 79 MET TYR 0.07 6495 1 1 1 1 79 MET HIS 0.07 6495 1 1 1 1 79 MET PHE 0.07 6495 1 1 1 1 79 MET MET 0.06 6495 1 1 1 1 79 MET SER 0.05 6495 1 1 1 1 79 MET LEU 0.04 6495 1 1 1 1 79 MET ASP 0.02 6495 1 1 1 1 79 MET ILE 0.01 6495 1 1 1 1 93 MET ASP 0.15 6495 1 1 1 1 93 MET LEU 0.11 6495 1 1 1 1 93 MET MET 0.08 6495 1 1 1 1 93 MET ASN 0.08 6495 1 1 1 1 93 MET HIS 0.08 6495 1 1 1 1 93 MET ALA 0.07 6495 1 1 1 1 93 MET CYS 0.06 6495 1 1 1 1 93 MET GLN 0.06 6495 1 1 1 1 93 MET ARG 0.05 6495 1 1 1 1 93 MET LYS 0.05 6495 1 1 1 1 93 MET TRP 0.04 6495 1 1 1 1 93 MET GLU 0.03 6495 1 1 1 1 93 MET TYR 0.03 6495 1 1 1 1 93 MET PHE 0.03 6495 1 1 1 1 93 MET SER 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6495 _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 6495 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 6495 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6495 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6495 _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_