data_AVS_bmrb_pdb_report_15595 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15595 _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 15595 1 1 1 1 125 GLN Anomalous Consistent Consistent Anomalous Consistent 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 15595 1 1 1 1 125 GLN C 176.814 . 176.39 1.96 8.2873e-01 15595 1 1 1 1 125 GLN CA 59.120 . 56.62 2.19 2.5364e-01 15595 1 1 1 1 125 GLN CB 28.120 . 29.1 1.97 6.1886e-01 15595 1 1 1 1 125 GLN CG 34.570 . 33.72 1.1 4.3968e-01 15595 1 1 1 1 125 GLN H 7.384 . 8.22 0.62 1.7753e-01 15595 1 1 1 1 125 GLN HA 3.692 . 4.28 0.44 1.8143e-01 15595 1 1 1 1 125 GLN HB2 2.266 . 2.05 0.28 4.4045e-01 15595 1 1 1 1 125 GLN HB3 1.077 S 2.04 0.29 8.9795e-04 15595 1 1 1 1 125 GLN HG2 1.647 . 2.32 0.29 2.0304e-02 15595 1 1 1 1 125 GLN HG3 0.238 M 2.32 0.29 7.0064e-13 15595 1 1 1 1 125 GLN HE21 6.979 . 7.17 0.46 6.7798e-01 15595 1 1 1 1 125 GLN HE22 6.979 . 7.07 0.49 8.5267e-01 15595 1 1 1 1 125 GLN N 115.427 . 119.92 4.01 2.6252e-01 15595 1 1 1 1 125 GLN NE2 107.966 . 111.81 2.2 8.0590e-02 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 15595 1 1 1 1 125 GLN CYS 0.31 15595 1 1 1 1 125 GLN LYS 0.19 15595 1 1 1 1 125 GLN GLN 0.19 15595 1 1 1 1 125 GLN GLU 0.16 15595 1 1 1 1 125 GLN ILE 0.07 15595 1 1 1 1 125 GLN ARG 0.04 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15595 _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 15595 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 15595 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15595 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15595 _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_