data_AVS_bmrb_pdb_report_34202 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 34202 _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 52 SER Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 34202 1 1 1 1 113 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 34202 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 52 SER C 174.664 . 174.62 1.72 9.7959e-01 34202 1 1 1 1 52 SER CA 58.939 . 58.72 2.07 9.1574e-01 34202 1 1 1 1 52 SER CB 64.058 . 63.8 1.48 8.6161e-01 34202 1 1 1 1 52 SER HA 7.422 A 4.48 0.4 1.9093e-13 34202 1 1 1 1 113 ARG C 178.877 . 176.41 2.03 2.2426e-01 34202 1 1 1 1 113 ARG CA 59.721 . 56.77 2.31 2.0143e-01 34202 1 1 1 1 113 ARG CB 29.956 . 30.7 1.83 6.8433e-01 34202 1 1 1 1 113 ARG CG 27.767 . 27.21 1.2 6.4253e-01 34202 1 1 1 1 113 ARG CD 43.963 . 43.16 0.88 3.6151e-01 34202 1 1 1 1 113 ARG H 8.791 . 8.24 0.61 3.6638e-01 34202 1 1 1 1 113 ARG HA 3.578 . 4.3 0.46 1.1652e-01 34202 1 1 1 1 113 ARG HB2 1.878 . 1.79 0.27 7.4448e-01 34202 1 1 1 1 113 ARG HB3 1.876 . 1.76 0.28 6.7866e-01 34202 1 1 1 1 113 ARG HG2 1.592 . 1.57 0.27 9.3506e-01 34202 1 1 1 1 113 ARG HG3 1.592 . 1.54 0.29 8.5769e-01 34202 1 1 1 1 113 ARG HD2 3.081 . 3.12 0.24 8.7091e-01 34202 1 1 1 1 113 ARG HD3 3.081 . 3.1 0.26 9.4175e-01 34202 1 1 1 1 113 ARG HE 7.537 . 7.4 0.63 8.2785e-01 34202 1 1 1 1 113 ARG HH11 7.688 . 6.91 0.46 9.0779e-02 34202 1 1 1 1 113 ARG HH12 7.688 . 6.8 0.33 7.1258e-03 34202 1 1 1 1 113 ARG HH21 7.565 . 6.81 0.48 1.1574e-01 34202 1 1 1 1 113 ARG HH22 7.565 . 6.76 0.36 2.5344e-02 34202 1 1 1 1 113 ARG N 117.224 . 120.8 3.68 3.3118e-01 34202 1 1 1 1 113 ARG NE 92.823 S 84.63 1.68 1.0783e-06 34202 1 1 1 1 113 ARG NH1 91.684 A 73.82 4.62 1.1033e-04 34202 1 1 1 1 113 ARG NH2 95.877 A 73.26 3.32 9.6018e-12 34202 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 52 SER SER 0.99 34202 1 1 1 1 113 ARG CYS 0.47 34202 1 1 1 1 113 ARG ARG 0.33 34202 1 1 1 1 113 ARG GLY 0.17 34202 1 1 1 1 113 ARG LYS 0.01 34202 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 34202 _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 34202 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 34202 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 34202 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 34202 _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_