data_AVS_bmrb_pdb_report_25496 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25496 _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 21 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HB2" 0.9994 25496 1 1 1 1 21 ARG . . . . . . "HA > HG2" 1.0000 25496 1 1 1 1 21 ARG . . . . . . "HA > HD2" 0.9912 25496 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 21 ARG C 175.352 . 176.41 2.03 6.0224e-01 25496 1 1 1 1 21 ARG CA 57.308 . 56.77 2.31 8.1584e-01 25496 1 1 1 1 21 ARG CB 30.369 . 30.7 1.83 8.5647e-01 25496 1 1 1 1 21 ARG CG 27.463 . 27.21 1.2 8.3302e-01 25496 1 1 1 1 21 ARG CD 44.079 . 43.16 0.88 2.9634e-01 25496 1 1 1 1 21 ARG H 7.957 . 8.24 0.61 6.4269e-01 25496 1 1 1 1 21 ARG HA 1.291 A 4.3 0.46 6.0985e-11 25496 1 1 1 1 21 ARG HB2 1.410 . 1.79 0.27 1.5931e-01 25496 1 1 1 1 21 ARG HB3 1.282 . 1.76 0.28 8.7796e-02 25496 1 1 1 1 21 ARG HG2 1.326 . 1.57 0.27 3.6615e-01 25496 1 1 1 1 21 ARG HG3 1.178 . 1.54 0.29 2.1193e-01 25496 1 1 1 1 21 ARG HD2 3.154 . 3.12 0.24 8.8734e-01 25496 1 1 1 1 21 ARG HD3 3.041 . 3.1 0.26 8.2048e-01 25496 1 1 1 1 21 ARG HE 8.805 . 7.4 0.63 2.5737e-02 25496 1 1 1 1 21 ARG HH11 6.821 . 6.91 0.46 8.4658e-01 25496 1 1 1 1 21 ARG HH21 6.821 . 6.81 0.48 9.8172e-01 25496 1 1 1 1 21 ARG N 120.155 . 120.8 3.68 8.6087e-01 25496 1 1 1 1 21 ARG NE 86.975 . 84.63 1.68 1.6276e-01 25496 1 1 1 1 21 ARG NH1 70.689 . 73.82 4.62 4.9796e-01 25496 1 1 1 1 21 ARG NH2 72.146 . 73.26 3.32 7.3722e-01 25496 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 21 ARG CYS 0.41 25496 1 1 1 1 21 ARG ARG 0.4 25496 1 1 1 1 21 ARG GLY 0.15 25496 1 1 1 1 21 ARG LYS 0.01 25496 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25496 _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 25496 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25496 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25496 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25496 _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_