data_AVS_bmrb_pdb_report_6054 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6054 _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 12 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 6054 1 1 1 1 38 CYM UNSUPPORTED . . . . . . . 6054 1 1 1 1 39 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6054 1 1 1 1 49 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 6054 1 1 1 2 21 ZN UNSUPPORTED . . . . . . . 6054 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 12 ARG C 178.04 . 176.41 2.03 4.2200e-01 6054 1 1 1 1 12 ARG CA 59.73 . 56.77 2.31 2.0006e-01 6054 1 1 1 1 12 ARG CB 29.26 . 30.7 1.83 4.3135e-01 6054 1 1 1 1 12 ARG CG 28.58 . 27.21 1.2 2.5359e-01 6054 1 1 1 1 12 ARG CD 43.51 . 43.16 0.88 6.9083e-01 6054 1 1 1 1 12 ARG H 8.03 . 8.24 0.61 7.3065e-01 6054 1 1 1 1 12 ARG HA 3.57 . 4.3 0.46 1.1252e-01 6054 1 1 1 1 12 ARG HB2 0.60 S 1.79 0.27 1.0462e-05 6054 1 1 1 1 12 ARG HB3 -0.11 S 1.76 0.28 2.4128e-11 6054 1 1 1 1 12 ARG HG2 1.18 . 1.57 0.27 1.4861e-01 6054 1 1 1 1 12 ARG HG3 0.10 S 1.54 0.29 6.8518e-07 6054 1 1 1 1 12 ARG HD2 2.10 S 3.12 0.24 2.1377e-05 6054 1 1 1 1 12 ARG HD3 1.74 S 3.1 0.26 1.6881e-07 6054 1 1 1 1 12 ARG HE 6.48 . 7.4 0.63 1.4420e-01 6054 1 1 1 1 12 ARG N 120.45 . 120.8 3.68 9.2423e-01 6054 1 1 1 1 12 ARG NE 109.82 A 84.63 1.68 8.0306e-51 6054 1 1 1 1 39 ARG CA 54.23 . 56.77 2.31 2.7152e-01 6054 1 1 1 1 39 ARG CB 30.46 . 30.7 1.83 8.9566e-01 6054 1 1 1 1 39 ARG CG 28.50 . 27.21 1.2 2.8237e-01 6054 1 1 1 1 39 ARG CD 44.74 . 43.16 0.88 7.2581e-02 6054 1 1 1 1 39 ARG H 9.04 . 8.24 0.61 1.8970e-01 6054 1 1 1 1 39 ARG HA 5.00 . 4.3 0.46 1.2807e-01 6054 1 1 1 1 39 ARG HB2 2.07 . 1.79 0.27 2.9972e-01 6054 1 1 1 1 39 ARG HB3 1.81 . 1.76 0.28 8.5827e-01 6054 1 1 1 1 39 ARG HG2 1.60 . 1.57 0.27 9.1153e-01 6054 1 1 1 1 39 ARG HG3 1.81 . 1.54 0.29 3.5184e-01 6054 1 1 1 1 39 ARG HD2 3.27 . 3.12 0.24 5.3197e-01 6054 1 1 1 1 39 ARG HD3 3.22 . 3.1 0.26 6.4441e-01 6054 1 1 1 1 39 ARG HE 6.85 . 7.4 0.63 3.8265e-01 6054 1 1 1 1 39 ARG N 122.80 . 120.8 3.68 5.8680e-01 6054 1 1 1 1 39 ARG NE 111.43 A 84.63 1.68 2.7424e-57 6054 1 1 1 1 49 ARG C 178.31 . 176.41 2.03 3.4929e-01 6054 1 1 1 1 49 ARG CA 58.36 . 56.77 2.31 4.9126e-01 6054 1 1 1 1 49 ARG CB 29.14 . 30.7 1.83 3.9396e-01 6054 1 1 1 1 49 ARG CG 26.68 . 27.21 1.2 6.5873e-01 6054 1 1 1 1 49 ARG CD 41.09 . 43.16 0.88 1.8659e-02 6054 1 1 1 1 49 ARG H 8.58 . 8.24 0.61 5.7727e-01 6054 1 1 1 1 49 ARG HA 2.69 S 4.3 0.46 4.6526e-04 6054 1 1 1 1 49 ARG HB2 1.42 . 1.79 0.27 1.7057e-01 6054 1 1 1 1 49 ARG HB3 1.08 . 1.76 0.28 1.5158e-02 6054 1 1 1 1 49 ARG HG2 0.63 S 1.57 0.27 4.9865e-04 6054 1 1 1 1 49 ARG HG3 1.23 . 1.54 0.29 2.8509e-01 6054 1 1 1 1 49 ARG HD2 1.92 S 3.12 0.24 5.7330e-07 6054 1 1 1 1 49 ARG HD3 1.58 S 3.1 0.26 5.0307e-09 6054 1 1 1 1 49 ARG HE 7.11 . 7.4 0.63 6.4529e-01 6054 1 1 1 1 49 ARG N 123.48 . 120.8 3.68 4.6645e-01 6054 1 1 1 1 49 ARG NE 111.74 A 84.63 1.68 1.4041e-58 6054 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 12 ARG CYS 0.54 6054 1 1 1 1 12 ARG ARG 0.3 6054 1 1 1 1 12 ARG GLY 0.11 6054 1 1 1 1 12 ARG LYS 0.03 6054 1 1 1 1 39 ARG GLY 0.48 6054 1 1 1 1 39 ARG CYS 0.33 6054 1 1 1 1 39 ARG ARG 0.17 6054 1 1 1 1 49 ARG CYS 0.57 6054 1 1 1 1 49 ARG LYS 0.27 6054 1 1 1 1 49 ARG ARG 0.09 6054 1 1 1 1 49 ARG LEU 0.05 6054 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6054 _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 6054 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6054 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6054 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6054 _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_