data_AVS_bmrb_pdb_report_4881 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4881 _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 4881 1 1 1 1 99 GLN Anomalous Consistent Consistent Anomalous 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 4881 1 1 1 1 99 GLN C 174.3 . 176.39 1.96 2.8628e-01 4881 1 1 1 1 99 GLN CA 58.6 . 56.62 2.19 3.6594e-01 4881 1 1 1 1 99 GLN CB 29.9 . 29.1 1.97 6.8468e-01 4881 1 1 1 1 99 GLN H 8.64 . 8.22 0.62 4.9814e-01 4881 1 1 1 1 99 GLN HA 3.82 . 4.28 0.44 2.9581e-01 4881 1 1 1 1 99 GLN HB2 2.40 . 2.05 0.28 2.1130e-01 4881 1 1 1 1 99 GLN HB3 0.60 S 2.04 0.29 6.8518e-07 4881 1 1 1 1 99 GLN HE21 8.46 . 7.17 0.46 5.0418e-03 4881 1 1 1 1 99 GLN HE22 10.02 M 7.07 0.49 1.7398e-09 4881 1 1 1 1 99 GLN N 122.7 . 119.92 4.01 4.8814e-01 4881 1 1 1 1 99 GLN NE2 125.4 M 111.81 2.2 6.5218e-10 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 4881 1 1 1 1 99 GLN TRP 0.21 4881 1 1 1 1 99 GLN GLU 0.19 4881 1 1 1 1 99 GLN ARG 0.16 4881 1 1 1 1 99 GLN GLN 0.13 4881 1 1 1 1 99 GLN LYS 0.12 4881 1 1 1 1 99 GLN ILE 0.07 4881 1 1 1 1 99 GLN MET 0.05 4881 1 1 1 1 99 GLN VAL 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4881 _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 4881 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 4881 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4881 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4881 _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_