data_AVS_bmrb_pdb_report_19717 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19717 _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 23 GLY Anomalous Consistent Consistent Anomalous Consistent Anomalous . . 19717 1 1 1 1 106 THR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19717 1 1 1 2 1 FES UNSUPPORTED . . . . . . . 19717 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 23 GLY C 173.7 . 173.87 1.88 9.2795e-01 19717 1 1 1 1 23 GLY CA 45.1 . 45.35 1.34 8.5200e-01 19717 1 1 1 1 23 GLY H 112.3 A 8.33 0.65 0.0000e+00 19717 1 1 1 1 23 GLY N 8.75 A 109.67 3.87 0.0000e+00 19717 1 1 1 1 106 THR C 173.4 . 174.54 1.76 5.1716e-01 19717 1 1 1 1 106 THR CA 61.2 . 62.22 2.59 6.9371e-01 19717 1 1 1 1 106 THR CB 70.6 . 69.73 1.63 5.9352e-01 19717 1 1 1 1 106 THR CG2 21.8 . 21.55 1.11 8.2180e-01 19717 1 1 1 1 106 THR H 175.5 A 8.24 0.62 0.0000e+00 19717 1 1 1 1 106 THR HA 54.9 A 4.46 0.48 0.0000e+00 19717 1 1 1 1 106 THR HB 34.0 A 4.17 0.33 0.0000e+00 19717 1 1 1 1 106 THR N 114.5 . 115.42 4.75 8.4642e-01 19717 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 23 GLY GLY 0.78 19717 1 1 1 1 23 GLY LEU 0.12 19717 1 1 1 1 23 GLY CYS 0.03 19717 1 1 1 1 23 GLY ARG 0.02 19717 1 1 1 1 23 GLY PHE 0.01 19717 1 1 1 1 106 THR THR 0.86 19717 1 1 1 1 106 THR CYS 0.13 19717 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19717 _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 19717 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19717 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19717 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19717 _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_