data_AVS_bmrb_pdb_report_1207 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 1207 _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 1207 1 1 1 1 23 LEU Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 1207 1 1 1 1 61 HIS Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HA > HB2" 0.9926 1207 1 1 1 1 61 HIS . . . . . . "HA > HB3" 0.9952 1207 1 1 1 1 74 ILE 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 1207 1 1 1 1 23 LEU H 8.36 . 8.22 0.65 8.2947e-01 1207 1 1 1 1 23 LEU HA 4.36 . 4.32 0.47 9.3218e-01 1207 1 1 1 1 23 LEU HB2 1.26 . 1.63 0.34 2.7649e-01 1207 1 1 1 1 23 LEU HB3 .1 S 1.57 0.36 4.4394e-05 1207 1 1 1 1 23 LEU HG -.16 S 1.54 0.33 2.5839e-07 1207 1 1 1 1 23 LEU HD1 -.84 S 0.77 0.27 2.4770e-09 1207 1 1 1 1 23 LEU HD2 -2.1 M 0.76 0.28 1.7113e-24 1207 1 1 1 1 61 HIS H 11.13 M 8.25 0.74 9.9466e-05 1207 1 1 1 1 61 HIS HA 7.37 S 4.62 0.51 6.9617e-08 1207 1 1 1 1 61 HIS HB2 9.87 M 3.12 0.43 1.5689e-55 1207 1 1 1 1 61 HIS HB3 10.07 M 3.11 0.45 5.8246e-54 1207 1 1 1 1 74 ILE H 8.59 . 8.26 0.71 6.4208e-01 1207 1 1 1 1 74 ILE HA 4.52 . 4.2 0.56 5.6771e-01 1207 1 1 1 1 74 ILE HB 1.76 . 1.8 0.31 8.9733e-01 1207 1 1 1 1 74 ILE HG2 .67 . 0.8 0.29 6.5395e-01 1207 1 1 1 1 74 ILE HG12 .16 . 1.3 0.4 4.3719e-03 1207 1 1 1 1 74 ILE HG13 -.11 S 1.24 0.4 7.3816e-04 1207 1 1 1 1 74 ILE HD1 -1.2 M 0.7 0.3 2.3992e-10 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 1207 _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 1207 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 1207 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 1207 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 1207 _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_