data_AVS_bmrb_pdb_report_6090 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6090 _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 6090 1 1 1 1 53 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6090 1 1 1 1 116 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 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 6090 1 1 1 1 53 TRP C 181.156 M 176.1 1.89 7.4700e-03 6090 1 1 1 1 53 TRP CA 58.230 . 57.71 2.65 8.4443e-01 6090 1 1 1 1 53 TRP CB 29.168 . 30.16 2.19 6.5057e-01 6090 1 1 1 1 53 TRP H 7.809 . 8.35 0.84 5.1954e-01 6090 1 1 1 1 53 TRP HA 3.977 . 4.74 0.55 1.6536e-01 6090 1 1 1 1 53 TRP N 123.767 . 121.87 4.58 6.7873e-01 6090 1 1 1 1 116 GLU C 178.867 . 176.93 2.11 3.5861e-01 6090 1 1 1 1 116 GLU CA 57.930 . 57.42 2.19 8.1586e-01 6090 1 1 1 1 116 GLU CB 30.368 . 30.07 1.84 8.7134e-01 6090 1 1 1 1 116 GLU H 7.570 . 8.34 0.61 2.0684e-01 6090 1 1 1 1 116 GLU HA 4.305 . 4.26 0.43 9.1665e-01 6090 1 1 1 1 116 GLU N 108.183 M 120.68 3.68 6.8397e-04 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 6090 1 1 1 1 53 TRP TRP 0.14 6090 1 1 1 1 53 TRP GLU 0.13 6090 1 1 1 1 53 TRP LYS 0.13 6090 1 1 1 1 53 TRP GLN 0.12 6090 1 1 1 1 53 TRP CYS 0.12 6090 1 1 1 1 53 TRP HIS 0.11 6090 1 1 1 1 53 TRP ARG 0.1 6090 1 1 1 1 53 TRP ILE 0.06 6090 1 1 1 1 53 TRP MET 0.02 6090 1 1 1 1 53 TRP LEU 0.01 6090 1 1 1 1 53 TRP VAL 0.01 6090 1 1 1 1 116 GLU TRP 0.15 6090 1 1 1 1 116 GLU GLU 0.14 6090 1 1 1 1 116 GLU ARG 0.14 6090 1 1 1 1 116 GLU CYS 0.13 6090 1 1 1 1 116 GLU HIS 0.12 6090 1 1 1 1 116 GLU GLN 0.1 6090 1 1 1 1 116 GLU LYS 0.07 6090 1 1 1 1 116 GLU MET 0.06 6090 1 1 1 1 116 GLU ILE 0.03 6090 1 1 1 1 116 GLU VAL 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6090 _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 6090 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 6090 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6090 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6090 _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_