data_AVS_bmrb_pdb_report_10215 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10215 _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 32 ASP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10215 1 1 1 1 33 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 10215 1 1 1 1 36 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 10215 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 32 ASP C 179.908 . 176.41 1.77 4.8124e-02 10215 1 1 1 1 32 ASP CA 53.716 . 54.52 2.1 7.0183e-01 10215 1 1 1 1 32 ASP CB 41.631 . 40.7 1.67 5.7720e-01 10215 1 1 1 1 32 ASP H 8.361 . 8.33 0.57 9.5663e-01 10215 1 1 1 1 32 ASP HA 3.844 . 4.61 0.31 1.3475e-02 10215 1 1 1 1 32 ASP HB2 1.944 . 2.74 0.29 6.0543e-03 10215 1 1 1 1 32 ASP HB3 0.172 A 2.7 0.29 2.8506e-18 10215 1 1 1 1 32 ASP N 126.397 . 120.73 4.2 1.7724e-01 10215 1 1 1 1 33 HIS C 178.929 . 175.19 2.14 8.0603e-02 10215 1 1 1 1 33 HIS CA 60.587 . 56.37 2.4 7.8904e-02 10215 1 1 1 1 33 HIS CB 33.066 . 29.95 2.15 1.4725e-01 10215 1 1 1 1 33 HIS CD2 120.939 . 119.84 3.3 7.3911e-01 10215 1 1 1 1 33 HIS CE1 140.868 A 136.05 3.58 1.7836e-01 10215 1 1 1 1 33 HIS H 8.636 . 8.25 0.74 6.0193e-01 10215 1 1 1 1 33 HIS HA 4.269 . 4.62 0.51 4.9130e-01 10215 1 1 1 1 33 HIS HB2 3.083 . 3.12 0.43 9.3143e-01 10215 1 1 1 1 33 HIS HB3 3.083 . 3.11 0.45 9.5216e-01 10215 1 1 1 1 33 HIS HD2 6.960 . 7.08 0.5 8.1033e-01 10215 1 1 1 1 33 HIS HE1 7.827 . 8.08 0.57 6.5714e-01 10215 1 1 1 1 33 HIS N 122.272 . 119.44 4.52 5.3096e-01 10215 1 1 1 1 36 ARG C 177.156 . 176.49 2.16 7.5783e-01 10215 1 1 1 1 36 ARG CA 58.927 . 56.95 2.41 4.1203e-01 10215 1 1 1 1 36 ARG CB 28.757 . 30.66 1.77 2.8231e-01 10215 1 1 1 1 36 ARG CG 29.438 . 27.31 1.65 1.9716e-01 10215 1 1 1 1 36 ARG CD 45.618 A 43.1 1.1 2.2074e-02 10215 1 1 1 1 36 ARG H 7.691 . 8.24 0.6 3.6019e-01 10215 1 1 1 1 36 ARG HA 3.921 . 4.27 0.44 4.2767e-01 10215 1 1 1 1 36 ARG HB2 2.002 . 1.79 0.28 4.4896e-01 10215 1 1 1 1 36 ARG HB3 1.792 . 1.78 0.28 9.6582e-01 10215 1 1 1 1 36 ARG HG2 1.470 . 1.58 0.27 6.8371e-01 10215 1 1 1 1 36 ARG HG3 1.470 . 1.58 0.27 6.8371e-01 10215 1 1 1 1 36 ARG HD2 3.147 . 3.13 0.23 9.4108e-01 10215 1 1 1 1 36 ARG HD3 3.147 . 3.13 0.22 9.3841e-01 10215 1 1 1 1 36 ARG N 118.342 . 120.61 3.9 5.6088e-01 10215 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 32 ASP ASP 0.33 10215 1 1 1 1 32 ASP LEU 0.26 10215 1 1 1 1 32 ASP LYS 0.15 10215 1 1 1 1 32 ASP ASN 0.1 10215 1 1 1 1 32 ASP ARG 0.07 10215 1 1 1 1 32 ASP TYR 0.06 10215 1 1 1 1 33 HIS TRP 0.72 10215 1 1 1 1 33 HIS HIS 0.27 10215 1 1 1 1 36 ARG GLY 0.92 10215 1 1 1 1 36 ARG ARG 0.07 10215 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10215 _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 10215 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10215 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10215 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10215 _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_