data_AVS_bmrb_pdb_report_15574 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15574 _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 15574 1 1 1 1 32 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 15574 1 1 1 1 32 GLN C 178.698 . 176.39 1.96 2.3898e-01 15574 1 1 1 1 32 GLN CA 58.101 . 56.62 2.19 4.9888e-01 15574 1 1 1 1 32 GLN CB 27.494 . 29.1 1.97 4.1494e-01 15574 1 1 1 1 32 GLN CG 33.660 . 33.72 1.1 9.5650e-01 15574 1 1 1 1 32 GLN H 8.576 . 8.22 0.62 5.6584e-01 15574 1 1 1 1 32 GLN HA 3.345 . 4.28 0.44 3.3587e-02 15574 1 1 1 1 32 GLN HB2 2.037 . 2.05 0.28 9.6297e-01 15574 1 1 1 1 32 GLN HB3 1.290 . 2.04 0.29 9.7039e-03 15574 1 1 1 1 32 GLN HG2 2.089 . 2.32 0.29 4.2571e-01 15574 1 1 1 1 32 GLN HG3 0.096 M 2.32 0.29 1.7339e-14 15574 1 1 1 1 32 GLN HE21 7.430 . 7.17 0.46 5.7193e-01 15574 1 1 1 1 32 GLN HE22 6.799 . 7.07 0.49 5.8022e-01 15574 1 1 1 1 32 GLN N 115.209 . 119.92 4.01 2.4007e-01 15574 1 1 1 1 32 GLN NE2 111.985 . 111.81 2.2 9.3660e-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 15574 1 1 1 1 32 GLN CYS 0.3 15574 1 1 1 1 32 GLN GLN 0.24 15574 1 1 1 1 32 GLN LYS 0.22 15574 1 1 1 1 32 GLN ARG 0.11 15574 1 1 1 1 32 GLN GLU 0.06 15574 1 1 1 1 32 GLN ILE 0.02 15574 1 1 1 1 32 GLN MET 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15574 _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 15574 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 15574 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15574 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15574 _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_