data_AVS_bmrb_pdb_report_6906 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6906 _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 53 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6906 1 1 1 2 1 DG UNSUPPORTED . . . . . . . 6906 1 1 1 2 2 DC UNSUPPORTED . . . . . . . 6906 1 1 1 2 3 DT UNSUPPORTED . . . . . . . 6906 1 1 1 2 4 DC UNSUPPORTED . . . . . . . 6906 1 1 1 2 5 DT UNSUPPORTED . . . . . . . 6906 1 1 1 2 6 DA UNSUPPORTED . . . . . . . 6906 1 1 1 2 7 DA UNSUPPORTED . . . . . . . 6906 1 1 1 2 8 DT UNSUPPORTED . . . . . . . 6906 1 1 1 2 9 DC UNSUPPORTED . . . . . . . 6906 1 1 1 2 10 DC UNSUPPORTED . . . . . . . 6906 1 1 1 2 11 DC UNSUPPORTED . . . . . . . 6906 1 1 1 2 12 DC UNSUPPORTED . . . . . . . 6906 1 1 1 2 13 DG UNSUPPORTED . . . . . . . 6906 1 1 1 3 1 DC UNSUPPORTED . . . . . . . 6906 1 1 1 3 2 DG UNSUPPORTED . . . . . . . 6906 1 1 1 3 3 DA UNSUPPORTED . . . . . . . 6906 1 1 1 3 4 DG UNSUPPORTED . . . . . . . 6906 1 1 1 3 5 DA UNSUPPORTED . . . . . . . 6906 1 1 1 3 6 DT UNSUPPORTED . . . . . . . 6906 1 1 1 3 7 DT UNSUPPORTED . . . . . . . 6906 1 1 1 3 8 DA UNSUPPORTED . . . . . . . 6906 1 1 1 3 9 DG UNSUPPORTED . . . . . . . 6906 1 1 1 3 10 DG UNSUPPORTED . . . . . . . 6906 1 1 1 3 11 DG UNSUPPORTED . . . . . . . 6906 1 1 1 3 12 DG UNSUPPORTED . . . . . . . 6906 1 1 1 3 13 DC UNSUPPORTED . . . . . . . 6906 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 53 ARG C 178.7 . 176.49 2.16 3.0624e-01 6906 1 1 1 1 53 ARG CA 56.9 . 56.95 2.41 9.8345e-01 6906 1 1 1 1 53 ARG CB 27.7 . 30.66 1.77 9.4462e-02 6906 1 1 1 1 53 ARG CG 23.8 . 27.31 1.65 3.3397e-02 6906 1 1 1 1 53 ARG CD 40.6 . 43.1 1.1 2.3043e-02 6906 1 1 1 1 53 ARG H 8.772 . 8.24 0.6 3.7526e-01 6906 1 1 1 1 53 ARG HA 3.478 . 4.27 0.44 7.1861e-02 6906 1 1 1 1 53 ARG HB2 0.705 S 1.79 0.28 1.0662e-04 6906 1 1 1 1 53 ARG HB3 -0.35 A 1.78 0.28 2.8022e-14 6906 1 1 1 1 53 ARG HG2 -0.566 S 1.58 0.27 1.8932e-15 6906 1 1 1 1 53 ARG HG3 -0.238 A 1.58 0.27 1.6582e-11 6906 1 1 1 1 53 ARG HD2 2.34 S 3.13 0.23 5.9303e-04 6906 1 1 1 1 53 ARG HD3 2.115 S 3.13 0.22 3.9568e-06 6906 1 1 1 1 53 ARG N 125.1 . 120.61 3.9 2.4962e-01 6906 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 53 ARG LEU 0.38 6906 1 1 1 1 53 ARG CYS 0.31 6906 1 1 1 1 53 ARG LYS 0.29 6906 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6906 _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 6906 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6906 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6906 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6906 _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_