data_AVS_bmrb_pdb_report_26805 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 26805 _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 74 HIS Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 26805 1 1 1 1 195 ARG Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 26805 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 74 HIS C 176.218 . 175.25 1.97 6.2316e-01 26805 1 1 1 1 74 HIS CA 58.618 . 56.52 2.31 3.6376e-01 26805 1 1 1 1 74 HIS CB 31.578 . 30.24 2.07 5.1804e-01 26805 1 1 1 1 74 HIS CG 135.444 . 131.52 3.27 2.3014e-01 26805 1 1 1 1 74 HIS CD2 114.674 . 120.49 3.42 8.9021e-02 26805 1 1 1 1 74 HIS CE1 139.641 . 137.71 2.12 3.6238e-01 26805 1 1 1 1 74 HIS N 125.350 . 119.69 4 1.5707e-01 26805 1 1 1 1 74 HIS ND1 166.156 . 195.02 18.51 1.1891e-01 26805 1 1 1 1 74 HIS NE2 161.098 A 182.41 14.4 1.3887e-01 26805 1 1 1 1 195 ARG C 181.734 . 176.41 2.03 8.7246e-03 26805 1 1 1 1 195 ARG CA 57.805 . 56.77 2.31 6.5412e-01 26805 1 1 1 1 195 ARG CB 28.579 . 30.7 1.83 2.4645e-01 26805 1 1 1 1 195 ARG CG 26.643 . 27.21 1.2 6.3657e-01 26805 1 1 1 1 195 ARG CD 43.258 . 43.16 0.88 9.1133e-01 26805 1 1 1 1 195 ARG CZ 160.491 . 159.97 2.95 8.5981e-01 26805 1 1 1 1 195 ARG N 117.580 . 120.8 3.68 3.8157e-01 26805 1 1 1 1 195 ARG NE 85.588 . 84.63 1.68 5.6852e-01 26805 1 1 1 1 195 ARG NH1 70.414 . 73.82 4.62 4.6098e-01 26805 1 1 1 1 195 ARG NH2 69.258 A 73.26 3.32 2.2804e-01 26805 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 74 HIS CYS 0.78 26805 1 1 1 1 74 HIS HIS 0.21 26805 1 1 1 1 195 ARG ARG 0.48 26805 1 1 1 1 195 ARG CYS 0.44 26805 1 1 1 1 195 ARG GLY 0.06 26805 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 26805 _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 26805 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 26805 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 26805 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 26805 _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_