data_AVS_bmrb_pdb_report_7201 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7201 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 90 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 7201 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 90 ARG CA 60.2 . 56.77 2.31 1.3758e-01 7201 1 1 1 1 90 ARG CB 30.9 . 30.7 1.83 9.1297e-01 7201 1 1 1 1 90 ARG CD 43.4 . 43.16 0.88 7.8506e-01 7201 1 1 1 1 90 ARG H 7.75 . 8.24 0.61 4.2181e-01 7201 1 1 1 1 90 ARG HA 3.38 . 4.3 0.46 4.5500e-02 7201 1 1 1 1 90 ARG HB2 1.22 . 1.79 0.27 3.4763e-02 7201 1 1 1 1 90 ARG HB3 1.92 . 1.76 0.28 5.6771e-01 7201 1 1 1 1 90 ARG HG2 1.16 . 1.57 0.27 1.2888e-01 7201 1 1 1 1 90 ARG HG3 1.98 . 1.54 0.29 1.2921e-01 7201 1 1 1 1 90 ARG HD2 3.15 . 3.12 0.24 9.0052e-01 7201 1 1 1 1 90 ARG HD3 3.38 . 3.1 0.26 2.8151e-01 7201 1 1 1 1 90 ARG HE 9.31 . 7.4 0.63 2.4314e-03 7201 1 1 1 1 90 ARG HH11 4.41 A 6.91 0.46 5.4863e-08 7201 1 1 1 1 90 ARG HH12 4.41 A 6.8 0.33 4.4073e-13 7201 1 1 1 1 90 ARG HH21 3.87 A 6.81 0.48 9.0684e-10 7201 1 1 1 1 90 ARG HH22 3.87 A 6.76 0.36 9.9254e-16 7201 1 1 1 1 90 ARG N 118.8 . 120.8 3.68 5.8680e-01 7201 1 1 1 1 90 ARG NE 86.8 . 84.63 1.68 1.9647e-01 7201 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 90 ARG ARG 0.67 7201 1 1 1 1 90 ARG GLY 0.19 7201 1 1 1 1 90 ARG LYS 0.1 7201 1 1 1 1 90 ARG ILE 0.03 7201 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7201 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 7201 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 7201 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 7201 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7201 _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_