data_AVS_bmrb_pdb_report_11105 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11105 _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 1 103 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11105 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 1 103 ARG C 173.160 . 176.49 2.16 1.2315e-01 11105 1 1 1 1 103 ARG CA 51.905 . 56.95 2.41 3.6317e-02 11105 1 1 1 1 103 ARG CB 34.205 . 30.66 1.77 4.5196e-02 11105 1 1 1 1 103 ARG CG 27.492 . 27.31 1.65 9.1217e-01 11105 1 1 1 1 103 ARG CD 41.704 . 43.1 1.1 2.0441e-01 11105 1 1 1 1 103 ARG H 8.949 . 8.24 0.6 2.3734e-01 11105 1 1 1 1 103 ARG HA 4.148 . 4.27 0.44 7.8157e-01 11105 1 1 1 1 103 ARG HB2 0.942 . 1.79 0.28 2.4571e-03 11105 1 1 1 1 103 ARG HB3 0.229 S 1.78 0.28 3.0371e-08 11105 1 1 1 1 103 ARG HG2 -0.697 A 1.58 0.27 3.3596e-17 11105 1 1 1 1 103 ARG HG3 0.431 S 1.58 0.27 2.0853e-05 11105 1 1 1 1 103 ARG HD2 0.961 A 3.13 0.23 4.0839e-21 11105 1 1 1 1 103 ARG HD3 2.798 . 3.13 0.22 1.3128e-01 11105 1 1 1 1 103 ARG HE 6.498 . 7.32 0.52 1.1393e-01 11105 1 1 1 1 103 ARG N 118.604 . 120.61 3.9 6.0700e-01 11105 1 1 1 1 103 ARG NE 83.359 . 89.8 12.83 6.1565e-01 11105 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 1 103 ARG CYS 0.53 11105 1 1 1 1 103 ARG LYS 0.36 11105 1 1 1 1 103 ARG ARG 0.07 11105 1 1 1 1 103 ARG GLY 0.02 11105 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11105 _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 11105 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11105 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11105 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11105 _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_