data_AVS_bmrb_pdb_report_6875 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6875 _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 6875 1 1 1 1 23 ARG 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 6875 1 1 1 1 23 ARG C 172.38 . 176.49 2.16 5.7070e-02 6875 1 1 1 1 23 ARG CA 53.08 . 56.95 2.41 1.0832e-01 6875 1 1 1 1 23 ARG H 9.46 . 8.24 0.6 4.2019e-02 6875 1 1 1 1 23 ARG HA 4.70 . 4.27 0.44 3.2843e-01 6875 1 1 1 1 23 ARG HB2 2.52 . 1.79 0.28 9.1301e-03 6875 1 1 1 1 23 ARG HG2 1.36 . 1.58 0.27 4.1518e-01 6875 1 1 1 1 23 ARG HG3 1.23 . 1.58 0.27 1.9487e-01 6875 1 1 1 1 23 ARG HD2 3.37 . 3.13 0.23 2.9673e-01 6875 1 1 1 1 23 ARG HD3 2.75 . 3.13 0.22 8.4119e-02 6875 1 1 1 1 23 ARG HH11 9.73 M 6.74 0.31 5.1530e-22 6875 1 1 1 1 23 ARG N 126.45 . 120.61 3.9 1.3428e-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 6875 1 1 1 1 23 ARG ALA 0.26 6875 1 1 1 1 23 ARG ASN 0.23 6875 1 1 1 1 23 ARG ASP 0.13 6875 1 1 1 1 23 ARG LEU 0.06 6875 1 1 1 1 23 ARG CYS 0.05 6875 1 1 1 1 23 ARG MET 0.05 6875 1 1 1 1 23 ARG HIS 0.04 6875 1 1 1 1 23 ARG ARG 0.02 6875 1 1 1 1 23 ARG GLN 0.02 6875 1 1 1 1 23 ARG LYS 0.02 6875 1 1 1 1 23 ARG TRP 0.02 6875 1 1 1 1 23 ARG TYR 0.01 6875 1 1 1 1 23 ARG PHE 0.01 6875 1 1 1 1 23 ARG GLU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6875 _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 6875 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 6875 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6875 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6875 _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_