data_AVS_bmrb_pdb_report_7291 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7291 _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 7291 1 1 1 1 3 SER Anomalous Consistent Consistent Consistent Consistent Anomalous . . 7291 1 1 1 1 31 PRO Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 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 7291 1 1 1 1 3 SER C 174.43 . 174.53 1.73 9.5391e-01 7291 1 1 1 1 3 SER CA 58.43 . 58.57 2.12 9.4735e-01 7291 1 1 1 1 3 SER CB 64.00 . 63.8 1.57 8.9863e-01 7291 1 1 1 1 3 SER H 8.53 . 8.29 0.62 6.9868e-01 7291 1 1 1 1 3 SER HA 4.75 . 4.51 0.43 5.7675e-01 7291 1 1 1 1 3 SER HB2 4.58 . 3.88 0.29 1.5787e-02 7291 1 1 1 1 3 SER HB3 4.58 . 3.87 0.31 2.2003e-02 7291 1 1 1 1 3 SER N 174.43 M 116.3 3.95 5.0547e-49 7291 1 1 1 1 31 PRO C 117.05 M 176.7 1.69 0.0000e+00 7291 1 1 1 1 31 PRO CA 62.90 . 63.3 1.64 8.0731e-01 7291 1 1 1 1 31 PRO CB 32.42 . 31.81 1.54 6.9203e-01 7291 1 1 1 1 31 PRO CD 50.76 . 50.28 1.04 6.4441e-01 7291 1 1 1 1 31 PRO HA 4.32 . 4.41 0.36 8.0259e-01 7291 1 1 1 1 31 PRO HB2 2.23 . 2.05 0.39 6.4441e-01 7291 1 1 1 1 31 PRO HB3 2.23 . 2.05 0.39 6.4441e-01 7291 1 1 1 1 31 PRO HG2 2.00 . 1.93 0.36 8.4583e-01 7291 1 1 1 1 31 PRO HG3 1.92 . 1.92 0.37 1.0000e+00 7291 1 1 1 1 31 PRO HD2 3.76 . 3.64 0.36 7.3888e-01 7291 1 1 1 1 31 PRO HD3 3.69 . 3.63 0.4 8.8076e-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 7291 1 1 1 1 3 SER SER 0.99 7291 1 1 1 1 31 PRO PRO 0.77 7291 1 1 1 1 31 PRO CYS 0.22 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7291 _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 7291 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 7291 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7291 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7291 _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_