data_AVS_bmrb_pdb_report_6035 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6035 _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 6035 1 1 1 1 74 THR Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 6035 1 1 1 1 80 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6035 1 1 1 1 88 GLU 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 6035 1 1 1 1 74 THR C 173.3 . 174.6 1.8 4.7016e-01 6035 1 1 1 1 74 THR CA 60.5 . 62.15 2.72 5.4410e-01 6035 1 1 1 1 74 THR CB 66.9 . 69.64 1.7 1.0701e-01 6035 1 1 1 1 74 THR CG2 18.5 . 21.44 1.39 3.4421e-02 6035 1 1 1 1 74 THR H 7.73 . 8.27 0.62 3.8377e-01 6035 1 1 1 1 74 THR HA 3.95 . 4.48 0.5 2.8914e-01 6035 1 1 1 1 74 THR HB 2.65 S 4.17 0.37 3.9891e-05 6035 1 1 1 1 74 THR HG2 0.32 . 1.16 0.28 2.6998e-03 6035 1 1 1 1 74 THR N 132.9 M 115.7 5.05 6.5937e-04 6035 1 1 1 1 80 GLU C 175.8 . 176.93 2.11 5.9227e-01 6035 1 1 1 1 80 GLU CA 57.6 . 57.42 2.19 9.3449e-01 6035 1 1 1 1 80 GLU CB 25.8 . 30.07 1.84 2.0306e-02 6035 1 1 1 1 80 GLU CG 33.2 . 36.01 1.51 6.2755e-02 6035 1 1 1 1 80 GLU H 8.31 . 8.34 0.61 9.6078e-01 6035 1 1 1 1 80 GLU HA 2.96 . 4.26 0.43 2.5007e-03 6035 1 1 1 1 80 GLU HB2 1.22 S 2.04 0.22 1.9356e-04 6035 1 1 1 1 80 GLU HG2 0.71 M 2.31 0.21 2.5555e-14 6035 1 1 1 1 80 GLU HG3 1.48 S 2.31 0.21 7.7377e-05 6035 1 1 1 1 80 GLU N 119.6 . 120.68 3.68 7.6916e-01 6035 1 1 1 1 88 GLU C 176.5 . 176.93 2.11 8.3852e-01 6035 1 1 1 1 88 GLU CA 57.3 . 57.42 2.19 9.5630e-01 6035 1 1 1 1 88 GLU CB 27.3 . 30.07 1.84 1.3221e-01 6035 1 1 1 1 88 GLU H 8.44 . 8.34 0.61 8.6978e-01 6035 1 1 1 1 88 GLU HA 3.96 . 4.26 0.43 4.8538e-01 6035 1 1 1 1 88 GLU HB2 2.05 . 2.04 0.22 9.6375e-01 6035 1 1 1 1 88 GLU HB3 0.00 M 2.04 0.23 7.3432e-19 6035 1 1 1 1 88 GLU HG2 2.19 . 2.31 0.21 5.6771e-01 6035 1 1 1 1 88 GLU N 119.7 . 120.68 3.68 7.9000e-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 6035 1 1 1 1 74 THR SER 0.46 6035 1 1 1 1 74 THR THR 0.29 6035 1 1 1 1 74 THR CYS 0.22 6035 1 1 1 1 80 GLU CYS 0.35 6035 1 1 1 1 80 GLU LYS 0.31 6035 1 1 1 1 80 GLU ARG 0.14 6035 1 1 1 1 80 GLU GLN 0.12 6035 1 1 1 1 80 GLU MET 0.02 6035 1 1 1 1 80 GLU GLU 0.01 6035 1 1 1 1 88 GLU ARG 0.19 6035 1 1 1 1 88 GLU LEU 0.13 6035 1 1 1 1 88 GLU GLN 0.12 6035 1 1 1 1 88 GLU CYS 0.12 6035 1 1 1 1 88 GLU LYS 0.11 6035 1 1 1 1 88 GLU HIS 0.08 6035 1 1 1 1 88 GLU TRP 0.08 6035 1 1 1 1 88 GLU GLU 0.06 6035 1 1 1 1 88 GLU ILE 0.06 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6035 _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 6035 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 6035 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6035 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6035 _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_