data_AVS_bmrb_pdb_report_1839 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 1839 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 1839 1 1 1 1 48 ARG Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HD2 > HB2" 0.9950 1839 1 1 1 1 48 ARG . . . . . . "HD2 > HB3" 0.9951 1839 1 1 1 1 51 TRP Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 1839 1 1 1 1 52 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 1839 1 1 1 1 175 HIS Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "H > HB2" 0.9986 1839 1 1 1 1 175 HIS . . . . . . "H > HB3" 0.9971 1839 1 1 1 1 175 HIS . . . . . . "HA > HB2" 0.9926 1839 1 1 1 1 175 HIS . . . . . . "HA > HB3" 0.9952 1839 1 1 1 1 232 LEU Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 1839 1 1 1 1 48 ARG HB2 3.99 M 1.79 0.28 3.9299e-15 1839 1 1 1 1 48 ARG HB3 3.28 S 1.78 0.28 8.4548e-08 1839 1 1 1 1 48 ARG HD2 1.52 S 3.13 0.23 2.5596e-12 1839 1 1 1 1 48 ARG HD3 4.66 M 3.13 0.22 3.5370e-12 1839 1 1 1 1 51 TRP HE1 18 M 10.13 0.53 7.0555e-50 1839 1 1 1 1 52 HIS HD1 16.4 . 10.14 3.5 7.3684e-02 1839 1 1 1 1 52 HIS HD2 9.6 M 7.08 0.5 4.6553e-07 1839 1 1 1 1 52 HIS HE1 14 M 8.08 0.57 2.8725e-25 1839 1 1 1 1 52 HIS HE2 28.6 M 10.43 3.11 5.1441e-09 1839 1 1 1 1 175 HIS H 12.9 M 8.25 0.74 3.3043e-10 1839 1 1 1 1 175 HIS HA 8.48 S 4.62 0.51 3.7719e-14 1839 1 1 1 1 175 HIS HB2 19.5 M 3.12 0.43 0.0000e+00 1839 1 1 1 1 175 HIS HB3 14.9 M 3.11 0.45 0.0000e+00 1839 1 1 1 1 175 HIS HE1 -22 M 8.08 0.57 0.0000e+00 1839 1 1 1 1 232 LEU HD1 2.78 M 0.77 0.27 9.7353e-14 1839 1 1 1 1 232 LEU HD2 1.24 . 0.76 0.28 8.6476e-02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 1839 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 1839 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 1839 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 1839 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 1839 _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_