data_AVS_bmrb_pdb_report_15431 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15431 _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 15431 1 1 1 1 51 MET Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15431 1 1 1 1 83 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 15431 1 1 1 1 51 MET C 179.6 . 176.3 2.13 1.2131e-01 15431 1 1 1 1 51 MET CA 59.3 . 56.16 2.34 1.7963e-01 15431 1 1 1 1 51 MET CB 31.7 . 32.9 2.23 5.9050e-01 15431 1 1 1 1 51 MET CG 30.9 . 32.07 1.45 4.1973e-01 15431 1 1 1 1 51 MET CE 16.7 . 17.21 3.42 8.8146e-01 15431 1 1 1 1 51 MET H 8.73 . 8.26 0.6 4.3343e-01 15431 1 1 1 1 51 MET HA 4.04 . 4.39 0.46 4.4674e-01 15431 1 1 1 1 51 MET HB2 2.03 . 2.03 0.38 1.0000e+00 15431 1 1 1 1 51 MET HB3 1.76 . 2.01 0.36 4.8740e-01 15431 1 1 1 1 51 MET HG2 2.41 . 2.44 0.36 9.3359e-01 15431 1 1 1 1 51 MET HG3 2.15 . 2.41 0.4 5.1569e-01 15431 1 1 1 1 51 MET HE 1.64 . 1.86 0.47 6.3972e-01 15431 1 1 1 1 51 MET N 132.5 M 120.1 3.88 1.3941e-03 15431 1 1 1 1 83 GLN C 177.8 . 176.39 1.96 4.7190e-01 15431 1 1 1 1 83 GLN CA 58.3 . 56.62 2.19 4.4301e-01 15431 1 1 1 1 83 GLN CB 28.7 . 29.1 1.97 8.3910e-01 15431 1 1 1 1 83 GLN CG 34.1 . 33.72 1.1 7.2975e-01 15431 1 1 1 1 83 GLN H 12.04 M 8.22 0.62 7.2155e-10 15431 1 1 1 1 83 GLN HA 4.08 . 4.28 0.44 6.4944e-01 15431 1 1 1 1 83 GLN HB2 2.10 . 2.05 0.28 8.5827e-01 15431 1 1 1 1 83 GLN HG2 2.20 . 2.32 0.29 6.7903e-01 15431 1 1 1 1 83 GLN HG3 2.10 . 2.32 0.29 4.4808e-01 15431 1 1 1 1 83 GLN HE21 6.82 . 7.17 0.46 4.4674e-01 15431 1 1 1 1 83 GLN HE22 6.58 . 7.07 0.49 3.1731e-01 15431 1 1 1 1 83 GLN N 125.0 . 119.92 4.01 2.0521e-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 15431 1 1 1 1 51 MET CYS 0.56 15431 1 1 1 1 51 MET MET 0.42 15431 1 1 1 1 83 GLN CYS 0.27 15431 1 1 1 1 83 GLN GLN 0.24 15431 1 1 1 1 83 GLN LYS 0.23 15431 1 1 1 1 83 GLN GLU 0.14 15431 1 1 1 1 83 GLN ARG 0.05 15431 1 1 1 1 83 GLN ILE 0.02 15431 1 1 1 1 83 GLN MET 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15431 _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 15431 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 15431 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15431 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15431 _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_