data_AVS_bmrb_pdb_report_6419 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6419 _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 6419 1 1 1 1 33 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 6419 1 1 1 1 33 GLN CA 60.03 . 56.62 2.19 1.1945e-01 6419 1 1 1 1 33 GLN CB 27.31 . 29.1 1.97 3.6355e-01 6419 1 1 1 1 33 GLN CG 31.58 . 33.72 1.1 5.1720e-02 6419 1 1 1 1 33 GLN H 7.85 . 8.22 0.62 5.5066e-01 6419 1 1 1 1 33 GLN HA 2.33 M 4.28 0.44 9.3442e-06 6419 1 1 1 1 33 GLN HB2 0.40 S 2.05 0.28 3.7957e-09 6419 1 1 1 1 33 GLN HB3 1.01 S 2.04 0.29 3.8272e-04 6419 1 1 1 1 33 GLN HG2 0.51 S 2.32 0.29 4.3373e-10 6419 1 1 1 1 33 GLN HG3 1.38 . 2.32 0.29 1.1895e-03 6419 1 1 1 1 33 GLN HE21 6.52 . 7.17 0.46 1.5764e-01 6419 1 1 1 1 33 GLN HE22 6.90 . 7.07 0.49 7.2864e-01 6419 1 1 1 1 33 GLN N 118.48 . 119.92 4.01 7.1952e-01 6419 1 1 1 1 33 GLN NE2 109.41 . 111.81 2.2 2.7531e-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 6419 1 1 1 1 33 GLN CYS 0.5 6419 1 1 1 1 33 GLN LYS 0.22 6419 1 1 1 1 33 GLN PRO 0.18 6419 1 1 1 1 33 GLN GLN 0.05 6419 1 1 1 1 33 GLN MET 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6419 _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 6419 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 6419 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6419 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6419 _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_