data_AVS_bmrb_pdb_report_18547 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18547 _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 19 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HB2" 0.9950 18547 1 1 1 1 19 ARG . . . . . . "HD3 > HG2" 0.9974 18547 1 1 1 1 19 ARG . . . . . . "HD3 > HG3" 0.9982 18547 1 1 1 1 124 HIS Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 18547 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 19 ARG C 175.0 . 176.41 2.03 4.8732e-01 18547 1 1 1 1 19 ARG CA 54.8 . 56.77 2.31 3.9376e-01 18547 1 1 1 1 19 ARG CB 31.6 . 30.7 1.83 6.2286e-01 18547 1 1 1 1 19 ARG CG 28.7 . 27.21 1.2 2.1436e-01 18547 1 1 1 1 19 ARG CD 41.3 . 43.16 0.88 3.4546e-02 18547 1 1 1 1 19 ARG H 8.07 . 8.24 0.61 7.8048e-01 18547 1 1 1 1 19 ARG HA 5.06 . 4.3 0.46 9.8499e-02 18547 1 1 1 1 19 ARG HB2 0.96 . 1.79 0.27 2.1116e-03 18547 1 1 1 1 19 ARG HB3 0.37 S 1.76 0.28 6.8954e-07 18547 1 1 1 1 19 ARG HG2 1.14 . 1.57 0.27 1.1125e-01 18547 1 1 1 1 19 ARG HG3 0.83 . 1.54 0.29 1.4354e-02 18547 1 1 1 1 19 ARG HD2 2.18 S 3.12 0.24 8.9782e-05 18547 1 1 1 1 19 ARG HD3 0.72 A 3.1 0.26 5.4942e-20 18547 1 1 1 1 19 ARG HE 8.91 . 7.4 0.63 1.6538e-02 18547 1 1 1 1 19 ARG N 122.1 . 120.8 3.68 7.2389e-01 18547 1 1 1 1 19 ARG NE 86.4 . 84.63 1.68 2.9208e-01 18547 1 1 1 1 124 HIS C 173.9 . 175.25 1.97 4.9317e-01 18547 1 1 1 1 124 HIS CA 54.3 . 56.52 2.31 3.3653e-01 18547 1 1 1 1 124 HIS CB 34.6 . 30.24 2.07 3.5180e-02 18547 1 1 1 1 124 HIS CD2 114.7 . 120.49 3.42 9.0459e-02 18547 1 1 1 1 124 HIS CE1 136.1 . 137.71 2.12 4.4759e-01 18547 1 1 1 1 124 HIS H 8.77 . 8.24 0.68 4.3574e-01 18547 1 1 1 1 124 HIS HA 5.24 . 4.61 0.43 1.4289e-01 18547 1 1 1 1 124 HIS HB2 3.19 . 3.1 0.36 8.0259e-01 18547 1 1 1 1 124 HIS HB3 2.35 . 3.04 0.38 6.9403e-02 18547 1 1 1 1 124 HIS HD2 6.68 . 7 0.43 4.5676e-01 18547 1 1 1 1 124 HIS HE1 6.31 S 7.95 0.48 6.3393e-04 18547 1 1 1 1 124 HIS HE2 11.41 . 9.64 2.6 4.9602e-01 18547 1 1 1 1 124 HIS N 128.2 . 119.69 4 3.3379e-02 18547 1 1 1 1 124 HIS ND1 255.4 A 195.02 18.51 1.1062e-03 18547 1 1 1 1 124 HIS NE2 162.4 . 182.41 14.4 1.6466e-01 18547 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 19 ARG LYS 0.51 18547 1 1 1 1 19 ARG CYS 0.39 18547 1 1 1 1 19 ARG ARG 0.09 18547 1 1 1 1 124 HIS CYS 0.69 18547 1 1 1 1 124 HIS TRP 0.19 18547 1 1 1 1 124 HIS HIS 0.1 18547 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18547 _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 18547 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18547 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18547 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18547 _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_