data_AVS_bmrb_pdb_report_11173 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11173 _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 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11173 1 1 1 1 49 MET Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HG2" 0.9982 11173 1 1 1 1 49 MET . . . . . . "HA > HG3" 0.9991 11173 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 TYR C 174.849 . 175.39 1.89 7.7469e-01 11173 1 1 1 1 32 TYR CA 58.504 . 58.02 2.64 8.5454e-01 11173 1 1 1 1 32 TYR CB 34.864 . 39.16 2.23 5.4047e-02 11173 1 1 1 1 32 TYR CD1 131.019 . 132.54 1.35 2.5988e-01 11173 1 1 1 1 32 TYR CD2 131.019 . 132.26 1.99 5.3288e-01 11173 1 1 1 1 32 TYR CE1 114.881 . 117.81 2.09 1.6108e-01 11173 1 1 1 1 32 TYR CE2 114.881 A 117.91 2.6 2.4402e-01 11173 1 1 1 1 32 TYR H 8.878 . 8.37 0.75 4.9819e-01 11173 1 1 1 1 32 TYR HA 3.978 . 4.63 0.56 2.4431e-01 11173 1 1 1 1 32 TYR HB2 2.862 . 2.91 0.37 8.9678e-01 11173 1 1 1 1 32 TYR HB3 1.778 . 2.91 0.37 2.2174e-03 11173 1 1 1 1 32 TYR HD1 6.731 . 6.87 0.65 8.3067e-01 11173 1 1 1 1 32 TYR HD2 6.731 . 6.86 0.68 8.4954e-01 11173 1 1 1 1 32 TYR HE1 6.717 . 6.64 0.58 8.9438e-01 11173 1 1 1 1 32 TYR HE2 6.717 . 6.63 0.61 8.8659e-01 11173 1 1 1 1 32 TYR N 116.644 . 120.79 4.69 3.7669e-01 11173 1 1 1 1 49 MET C 173.007 . 176.3 2.13 1.2210e-01 11173 1 1 1 1 49 MET CA 55.495 . 56.16 2.34 7.7627e-01 11173 1 1 1 1 49 MET CB 29.765 . 32.9 2.23 1.5977e-01 11173 1 1 1 1 49 MET CG 28.318 . 32.07 1.45 9.6651e-03 11173 1 1 1 1 49 MET H 7.217 . 8.26 0.6 8.2152e-02 11173 1 1 1 1 49 MET HA 2.108 A 4.39 0.46 7.0178e-07 11173 1 1 1 1 49 MET HB2 1.652 . 2.03 0.38 3.1986e-01 11173 1 1 1 1 49 MET HB3 1.652 . 2.01 0.36 3.2001e-01 11173 1 1 1 1 49 MET HG2 2.134 . 2.44 0.36 3.9533e-01 11173 1 1 1 1 49 MET HG3 2.261 . 2.41 0.4 7.0952e-01 11173 1 1 1 1 49 MET N 118.775 . 120.1 3.88 7.3273e-01 11173 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 TYR CYS 0.78 11173 1 1 1 1 32 TYR TYR 0.16 11173 1 1 1 1 32 TYR HIS 0.05 11173 1 1 1 1 49 MET ARG 0.41 11173 1 1 1 1 49 MET CYS 0.35 11173 1 1 1 1 49 MET LYS 0.19 11173 1 1 1 1 49 MET MET 0.01 11173 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11173 _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.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 11173 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11173 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11173 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11173 _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_