data_AVS_bmrb_pdb_report_25627 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25627 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 32 GLN Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 25627 1 1 1 1 66 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25627 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 32 GLN C 182.258 A 176.31 1.95 2.2865e-03 25627 1 1 1 1 32 GLN CA 58.963 . 56.57 2.14 2.6347e-01 25627 1 1 1 1 32 GLN CB 26.761 . 29.19 1.82 1.8200e-01 25627 1 1 1 1 32 GLN CG 36.086 . 33.76 1.11 3.6127e-02 25627 1 1 1 1 32 GLN H 8.995 . 8.22 0.59 1.8899e-01 25627 1 1 1 1 32 GLN HA 4.725 . 4.27 0.44 3.0109e-01 25627 1 1 1 1 32 GLN HB2 2.091 . 2.05 0.25 8.6973e-01 25627 1 1 1 1 32 GLN HB3 2.075 . 2.02 0.28 8.4427e-01 25627 1 1 1 1 32 GLN HG2 3.001 . 2.32 0.27 1.1662e-02 25627 1 1 1 1 32 GLN HG3 3.120 . 2.29 0.29 4.2089e-03 25627 1 1 1 1 32 GLN HE21 8.624 . 7.24 0.45 2.1011e-03 25627 1 1 1 1 32 GLN HE22 9.071 S 7.02 0.44 3.1412e-06 25627 1 1 1 1 32 GLN N 120.400 . 119.89 3.6 8.8734e-01 25627 1 1 1 1 32 GLN NE2 114.963 . 111.87 1.72 7.2137e-02 25627 1 1 1 1 66 ARG C 176.508 . 176.41 2.03 9.6150e-01 25627 1 1 1 1 66 ARG CA 59.863 . 56.77 2.31 1.8058e-01 25627 1 1 1 1 66 ARG CB 29.464 . 30.7 1.83 4.9942e-01 25627 1 1 1 1 66 ARG CG 29.909 . 27.21 1.2 2.4502e-02 25627 1 1 1 1 66 ARG CD 43.426 . 43.16 0.88 7.6244e-01 25627 1 1 1 1 66 ARG H 9.385 . 8.24 0.61 6.0512e-02 25627 1 1 1 1 66 ARG HA 3.868 . 4.3 0.46 3.4766e-01 25627 1 1 1 1 66 ARG HB2 1.895 . 1.79 0.27 6.9736e-01 25627 1 1 1 1 66 ARG HB3 1.605 . 1.76 0.28 5.7987e-01 25627 1 1 1 1 66 ARG HG2 1.899 . 1.57 0.27 2.2303e-01 25627 1 1 1 1 66 ARG HD2 3.195 . 3.12 0.24 7.5466e-01 25627 1 1 1 1 66 ARG HD3 3.007 . 3.1 0.26 7.2057e-01 25627 1 1 1 1 66 ARG HE 6.529 . 7.4 0.63 1.6681e-01 25627 1 1 1 1 66 ARG N 123.754 . 120.8 3.68 4.2214e-01 25627 1 1 1 1 66 ARG NE 116.828 A 84.63 1.68 7.1896e-82 25627 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 32 GLN CYS 0.5 25627 1 1 1 1 32 GLN ILE 0.25 25627 1 1 1 1 32 GLN GLU 0.14 25627 1 1 1 1 32 GLN LYS 0.04 25627 1 1 1 1 32 GLN GLN 0.03 25627 1 1 1 1 32 GLN ARG 0.01 25627 1 1 1 1 66 ARG CYS 0.69 25627 1 1 1 1 66 ARG GLY 0.12 25627 1 1 1 1 66 ARG ARG 0.09 25627 1 1 1 1 66 ARG LYS 0.07 25627 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25627 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 25627 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25627 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25627 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25627 _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_