data_AVS_bmrb_pdb_report_4384 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4384 _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 4384 1 1 1 1 220 GLN Anomalous Consistent Consistent Consistent Anomalous 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 4384 1 1 1 1 220 GLN C 182.221 M 176.39 1.96 2.9299e-03 4384 1 1 1 1 220 GLN CA 55.551 . 56.62 2.19 6.2546e-01 4384 1 1 1 1 220 GLN CB 28.639 . 29.1 1.97 8.1498e-01 4384 1 1 1 1 220 GLN CG 34.194 . 33.72 1.1 6.6653e-01 4384 1 1 1 1 220 GLN CD 179.555 . 179.68 1.17 9.1492e-01 4384 1 1 1 1 220 GLN H 8.497 . 8.22 0.62 6.5504e-01 4384 1 1 1 1 220 GLN HA 4.299 . 4.28 0.44 9.6556e-01 4384 1 1 1 1 220 GLN HB2 1.785 . 2.05 0.28 3.4393e-01 4384 1 1 1 1 220 GLN HB3 1.636 . 2.04 0.29 1.6359e-01 4384 1 1 1 1 220 GLN HG2 2.383 . 2.32 0.29 8.2802e-01 4384 1 1 1 1 220 GLN HG3 1.943 . 2.32 0.29 1.9360e-01 4384 1 1 1 1 220 GLN HE21 7.418 . 7.17 0.46 5.8980e-01 4384 1 1 1 1 220 GLN HE22 7.036 . 7.07 0.49 9.4468e-01 4384 1 1 1 1 220 GLN N 121.292 . 119.92 4.01 7.3224e-01 4384 1 1 1 1 220 GLN NE2 114.033 . 111.81 2.2 3.1228e-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 4384 1 1 1 1 220 GLN GLN 0.44 4384 1 1 1 1 220 GLN CYS 0.39 4384 1 1 1 1 220 GLN GLU 0.15 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4384 _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 4384 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 4384 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4384 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4384 _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_