data_AVS_bmrb_pdb_report_15727 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15727 _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 Suspicious Anomalous Consistent Consistent "HD2 > HB2" 0.9950 15727 1 1 1 1 90 ARG . . . . . . "HD2 > HB3" 0.9951 15727 1 1 1 1 90 ARG . . . . . . "HD2 > HG3" 0.9983 15727 1 1 1 2 1 U UNSUPPORTED . . . . . . . 15727 1 1 1 2 2 U UNSUPPORTED . . . . . . . 15727 1 1 1 2 3 U UNSUPPORTED . . . . . . . 15727 1 1 1 2 4 U UNSUPPORTED . . . . . . . 15727 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 C 173.701 . 176.49 2.16 1.9663e-01 15727 1 1 1 1 90 ARG CA 54.096 . 56.95 2.41 2.3632e-01 15727 1 1 1 1 90 ARG CB 34.742 . 30.66 1.77 2.1099e-02 15727 1 1 1 1 90 ARG CG 24.075 . 27.31 1.65 4.9925e-02 15727 1 1 1 1 90 ARG CD 43.275 . 43.1 1.1 8.7360e-01 15727 1 1 1 1 90 ARG H 8.499 . 8.24 0.6 6.6598e-01 15727 1 1 1 1 90 ARG HA 4.335 . 4.27 0.44 8.8256e-01 15727 1 1 1 1 90 ARG HB2 0.883 . 1.79 0.28 1.1983e-03 15727 1 1 1 1 90 ARG HB3 1.168 . 1.78 0.28 2.8837e-02 15727 1 1 1 1 90 ARG HG2 -0.119 S 1.58 0.27 3.1221e-10 15727 1 1 1 1 90 ARG HG3 0.401 S 1.58 0.27 1.2616e-05 15727 1 1 1 1 90 ARG HD2 0.235 A 3.13 0.23 2.4909e-36 15727 1 1 1 1 90 ARG HD3 2.096 S 3.13 0.22 2.6016e-06 15727 1 1 1 1 90 ARG N 115.561 . 120.61 3.9 1.9545e-01 15727 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 CYS 0.57 15727 1 1 1 1 90 ARG LYS 0.24 15727 1 1 1 1 90 ARG GLY 0.13 15727 1 1 1 1 90 ARG ARG 0.02 15727 1 1 1 1 90 ARG ALA 0.01 15727 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15727 _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.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 15727 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15727 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15727 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15727 _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_