data_AVS_bmrb_pdb_report_6475 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6475 _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 6475 1 1 1 1 58 SER Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6475 1 1 1 1 115 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6475 1 1 1 1 125 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 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 6475 1 1 1 1 58 SER CA 55.291 . 58.57 2.12 1.2194e-01 6475 1 1 1 1 58 SER CB 62.701 . 63.8 1.57 4.8393e-01 6475 1 1 1 1 58 SER H 9.058 . 8.29 0.62 2.1545e-01 6475 1 1 1 1 58 SER HA 5.111 . 4.51 0.43 1.6221e-01 6475 1 1 1 1 58 SER HB2 3.802 . 3.88 0.29 7.8796e-01 6475 1 1 1 1 58 SER HB3 4.968 M 3.87 0.31 3.9720e-04 6475 1 1 1 1 58 SER N 112.897 . 116.3 3.95 3.8895e-01 6475 1 1 1 1 115 HIS C 175.555 . 175.19 2.14 8.6457e-01 6475 1 1 1 1 115 HIS CA 59.218 . 56.37 2.4 2.3536e-01 6475 1 1 1 1 115 HIS CB 30.593 . 29.95 2.15 7.6489e-01 6475 1 1 1 1 115 HIS CE1 144.002 M 136.05 3.58 2.6335e-02 6475 1 1 1 1 115 HIS H 9.549 . 8.25 0.74 7.9190e-02 6475 1 1 1 1 115 HIS HA 4.700 . 4.62 0.51 8.7535e-01 6475 1 1 1 1 115 HIS HB2 2.890 . 3.12 0.43 5.9273e-01 6475 1 1 1 1 115 HIS HB3 3.181 . 3.11 0.45 8.7463e-01 6475 1 1 1 1 115 HIS HE1 7.853 . 8.08 0.57 6.9045e-01 6475 1 1 1 1 115 HIS N 125.470 . 119.44 4.52 1.8218e-01 6475 1 1 1 1 125 LEU CA 55.290 . 55.65 2.21 8.7060e-01 6475 1 1 1 1 125 LEU H 7.931 . 8.22 0.65 6.5660e-01 6475 1 1 1 1 125 LEU HA 4.324 . 4.32 0.47 9.9321e-01 6475 1 1 1 1 125 LEU N 108.160 M 121.98 4.07 6.8484e-04 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 6475 1 1 1 1 58 SER SER 0.99 6475 1 1 1 1 115 HIS TRP 0.57 6475 1 1 1 1 115 HIS HIS 0.42 6475 1 1 1 1 125 LEU LEU 0.13 6475 1 1 1 1 125 LEU ASP 0.1 6475 1 1 1 1 125 LEU MET 0.1 6475 1 1 1 1 125 LEU HIS 0.09 6475 1 1 1 1 125 LEU GLN 0.08 6475 1 1 1 1 125 LEU ARG 0.07 6475 1 1 1 1 125 LEU LYS 0.07 6475 1 1 1 1 125 LEU TRP 0.05 6475 1 1 1 1 125 LEU ASN 0.05 6475 1 1 1 1 125 LEU GLU 0.05 6475 1 1 1 1 125 LEU ALA 0.04 6475 1 1 1 1 125 LEU TYR 0.04 6475 1 1 1 1 125 LEU PHE 0.04 6475 1 1 1 1 125 LEU SER 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6475 _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 6475 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 6475 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6475 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6475 _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_