data_AVS_bmrb_pdb_report_17776 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17776 _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 29 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17776 1 1 1 1 32 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17776 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 29 HIS C 174.43 . 175.25 1.97 6.7723e-01 17776 1 1 1 1 29 HIS CA 58.23 . 56.52 2.31 4.5914e-01 17776 1 1 1 1 29 HIS CB 27.64 . 30.24 2.07 2.0910e-01 17776 1 1 1 1 29 HIS H 7.74 . 8.24 0.68 4.6216e-01 17776 1 1 1 1 29 HIS HA 4.24 . 4.61 0.43 3.8953e-01 17776 1 1 1 1 29 HIS HB2 3.02 . 3.1 0.36 8.2414e-01 17776 1 1 1 1 29 HIS HB3 3.25 . 3.04 0.38 5.8052e-01 17776 1 1 1 1 29 HIS HD1 10.05 . 8.68 2.62 6.0104e-01 17776 1 1 1 1 29 HIS HD2 6.49 . 7 0.43 2.3560e-01 17776 1 1 1 1 29 HIS HE1 7.84 . 7.95 0.48 8.1874e-01 17776 1 1 1 1 29 HIS N 103.70 A 119.69 4 6.4015e-05 17776 1 1 1 1 32 ARG CA 56.81 . 56.77 2.31 9.8618e-01 17776 1 1 1 1 32 ARG CB 33.16 . 30.7 1.83 1.7886e-01 17776 1 1 1 1 32 ARG CG 28.53 . 27.21 1.2 2.7133e-01 17776 1 1 1 1 32 ARG CD 44.19 . 43.16 0.88 2.4182e-01 17776 1 1 1 1 32 ARG H 7.14 . 8.24 0.61 7.1345e-02 17776 1 1 1 1 32 ARG HA 4.54 . 4.3 0.46 6.0185e-01 17776 1 1 1 1 32 ARG HB2 1.56 . 1.79 0.27 3.9430e-01 17776 1 1 1 1 32 ARG HB3 2.04 . 1.76 0.28 3.1731e-01 17776 1 1 1 1 32 ARG HG2 1.64 . 1.57 0.27 7.9544e-01 17776 1 1 1 1 32 ARG HG3 1.64 . 1.54 0.29 7.3022e-01 17776 1 1 1 1 32 ARG HD2 2.85 . 3.12 0.24 2.6059e-01 17776 1 1 1 1 32 ARG HD3 3.47 . 3.1 0.26 1.5471e-01 17776 1 1 1 1 32 ARG HE 8.40 . 7.4 0.63 1.1244e-01 17776 1 1 1 1 32 ARG N 119.53 . 120.8 3.68 7.3001e-01 17776 1 1 1 1 32 ARG NE 113.74 A 84.63 1.68 2.9234e-67 17776 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 29 HIS ARG 0.19 17776 1 1 1 1 29 HIS CYS 0.18 17776 1 1 1 1 29 HIS GLN 0.13 17776 1 1 1 1 29 HIS ILE 0.11 17776 1 1 1 1 29 HIS LYS 0.1 17776 1 1 1 1 29 HIS GLU 0.08 17776 1 1 1 1 29 HIS LEU 0.08 17776 1 1 1 1 29 HIS HIS 0.08 17776 1 1 1 1 32 ARG CYS 0.51 17776 1 1 1 1 32 ARG GLY 0.22 17776 1 1 1 1 32 ARG ARG 0.2 17776 1 1 1 1 32 ARG LYS 0.05 17776 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17776 _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 17776 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17776 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17776 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17776 _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_