data_AVS_bmrb_pdb_report_6182 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6182 _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 6182 1 1 1 1 27 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6182 1 1 1 1 110 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 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 6182 1 1 1 1 27 TRP C 176.7 . 176.1 1.89 7.5089e-01 6182 1 1 1 1 27 TRP CA 57.1 . 57.71 2.65 8.1795e-01 6182 1 1 1 1 27 TRP H 5.24 M 8.35 0.84 2.1359e-04 6182 1 1 1 1 27 TRP N 122.9 . 121.87 4.58 8.2206e-01 6182 1 1 1 1 110 ILE C 174.2 . 175.82 1.95 4.0610e-01 6182 1 1 1 1 110 ILE CA 62.4 . 61.59 2.78 7.7077e-01 6182 1 1 1 1 110 ILE CB 45.2 M 38.58 2.09 1.5377e-03 6182 1 1 1 1 110 ILE H 9.17 . 8.26 0.71 1.9995e-01 6182 1 1 1 1 110 ILE N 122.7 . 121.6 4.72 8.1572e-01 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.PRTL_comp_type _AVS_analysis.PRTL_probability_score 6182 1 1 1 1 27 TRP ARG 0.09 6182 1 1 1 1 27 TRP CYS 0.09 6182 1 1 1 1 27 TRP LYS 0.09 6182 1 1 1 1 27 TRP GLU 0.09 6182 1 1 1 1 27 TRP GLN 0.08 6182 1 1 1 1 27 TRP TRP 0.08 6182 1 1 1 1 27 TRP HIS 0.07 6182 1 1 1 1 27 TRP TYR 0.07 6182 1 1 1 1 27 TRP MET 0.07 6182 1 1 1 1 27 TRP PHE 0.06 6182 1 1 1 1 27 TRP LEU 0.05 6182 1 1 1 1 27 TRP SER 0.05 6182 1 1 1 1 27 TRP ASP 0.02 6182 1 1 1 1 27 TRP ILE 0.01 6182 1 1 1 1 110 ILE GLY 0.87 6182 1 1 1 1 110 ILE CYS 0.08 6182 1 1 1 1 110 ILE ARG 0.01 6182 1 1 1 1 110 ILE PHE 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6182 _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 6182 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 6182 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6182 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6182 _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_