data_AVS_bmrb_pdb_report_16338 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16338 _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 89 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16338 1 1 1 1 91 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16338 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 89 ARG C 174.9 . 176.41 2.03 4.5697e-01 16338 1 1 1 1 89 ARG CA 53.6 . 56.77 2.31 1.6997e-01 16338 1 1 1 1 89 ARG CB 34.3 . 30.7 1.83 4.9159e-02 16338 1 1 1 1 89 ARG CG 27.5 . 27.21 1.2 8.0904e-01 16338 1 1 1 1 89 ARG CD 43.1 . 43.16 0.88 9.4564e-01 16338 1 1 1 1 89 ARG CZ 158.5 . 159.97 2.95 6.1827e-01 16338 1 1 1 1 89 ARG H 8.88 . 8.24 0.61 2.9410e-01 16338 1 1 1 1 89 ARG HA 5.30 . 4.3 0.46 2.9712e-02 16338 1 1 1 1 89 ARG HB2 1.69 . 1.79 0.27 7.1111e-01 16338 1 1 1 1 89 ARG HB3 1.92 . 1.76 0.28 5.6771e-01 16338 1 1 1 1 89 ARG HG2 1.15 . 1.57 0.27 1.1981e-01 16338 1 1 1 1 89 ARG HG3 1.27 . 1.54 0.29 3.5184e-01 16338 1 1 1 1 89 ARG HD2 2.97 . 3.12 0.24 5.3197e-01 16338 1 1 1 1 89 ARG HD3 3.18 . 3.1 0.26 7.5832e-01 16338 1 1 1 1 89 ARG HE 7.40 . 7.4 0.63 1.0000e+00 16338 1 1 1 1 89 ARG N 121.2 . 120.8 3.68 9.1344e-01 16338 1 1 1 1 89 ARG NE 112.9 A 84.63 1.68 1.5375e-63 16338 1 1 1 1 91 HIS C 174.3 . 175.25 1.97 6.2964e-01 16338 1 1 1 1 91 HIS CA 54.5 . 56.52 2.31 3.8187e-01 16338 1 1 1 1 91 HIS CB 35.2 . 30.24 2.07 1.6569e-02 16338 1 1 1 1 91 HIS CD2 118.0 . 120.49 3.42 4.6657e-01 16338 1 1 1 1 91 HIS CE1 137.2 . 137.71 2.12 8.0989e-01 16338 1 1 1 1 91 HIS H 9.60 . 8.24 0.68 4.5500e-02 16338 1 1 1 1 91 HIS HA 5.28 . 4.61 0.43 1.1920e-01 16338 1 1 1 1 91 HIS HB2 2.38 . 3.1 0.36 4.5500e-02 16338 1 1 1 1 91 HIS HB3 3.22 . 3.04 0.38 6.3572e-01 16338 1 1 1 1 91 HIS HD2 7.00 . 7 0.43 1.0000e+00 16338 1 1 1 1 91 HIS HE1 7.85 . 7.95 0.48 8.3497e-01 16338 1 1 1 1 91 HIS N 124.8 . 119.69 4 2.0143e-01 16338 1 1 1 1 91 HIS ND1 242.2 A 195.02 18.51 1.0807e-02 16338 1 1 1 1 91 HIS NE2 163.2 . 182.41 14.4 1.8219e-01 16338 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 89 ARG CYS 0.47 16338 1 1 1 1 89 ARG ARG 0.4 16338 1 1 1 1 89 ARG GLY 0.12 16338 1 1 1 1 91 HIS CYS 0.67 16338 1 1 1 1 91 HIS HIS 0.18 16338 1 1 1 1 91 HIS TYR 0.13 16338 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16338 _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 16338 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16338 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16338 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16338 _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_