data_AVS_bmrb_pdb_report_7179 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7179 _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 7179 1 1 1 1 35 GLY Anomalous Consistent Consistent Anomalous Consistent Consistent . . 7179 1 1 1 1 98 SER 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 7179 1 1 1 1 35 GLY C 175.26 . 174.04 1.94 5.2944e-01 7179 1 1 1 1 35 GLY CA 46.16 . 45.33 1.42 5.5888e-01 7179 1 1 1 1 35 GLY H 5.74 S 8.34 0.74 4.4222e-04 7179 1 1 1 1 35 GLY HA2 2.05 S 3.95 0.4 2.0342e-06 7179 1 1 1 1 35 GLY HA3 0.98 M 3.93 0.4 1.6435e-13 7179 1 1 1 1 35 GLY N 101.7 . 109.91 4.29 5.5652e-02 7179 1 1 1 1 98 SER CA 58.34 . 58.57 2.12 9.1361e-01 7179 1 1 1 1 98 SER CB 63.74 . 63.8 1.57 9.6952e-01 7179 1 1 1 1 98 SER H 8.31 . 8.29 0.62 9.7427e-01 7179 1 1 1 1 98 SER HA 4.36 . 4.51 0.43 7.2721e-01 7179 1 1 1 1 98 SER HB2 3.79 . 3.88 0.29 7.5630e-01 7179 1 1 1 1 98 SER HB3 1.25 M 3.87 0.31 2.8731e-17 7179 1 1 1 1 98 SER N 117.42 . 116.3 3.95 7.7676e-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 7179 1 1 1 1 35 GLY GLY 0.81 7179 1 1 1 1 35 GLY CYS 0.11 7179 1 1 1 1 35 GLY LEU 0.06 7179 1 1 1 1 98 SER SER 0.99 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7179 _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 7179 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 7179 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7179 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7179 _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_