data_AVS_bmrb_pdb_report_4475 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4475 _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 4475 1 1 1 1 10 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 4475 1 1 1 1 32 CYS Anomalous Consistent Consistent Consistent Anomalous 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 4475 1 1 1 1 10 GLU C 174.2 . 176.93 2.11 1.9572e-01 4475 1 1 1 1 10 GLU CA 52.1 . 57.42 2.19 1.5131e-02 4475 1 1 1 1 10 GLU CB 30.9 . 30.07 1.84 6.5193e-01 4475 1 1 1 1 10 GLU CG 33.6 . 36.01 1.51 1.1048e-01 4475 1 1 1 1 10 GLU CD 183.1 . 181.94 1.85 5.3064e-01 4475 1 1 1 1 10 GLU H 7.45 . 8.34 0.61 1.4456e-01 4475 1 1 1 1 10 GLU HA 4.82 . 4.26 0.43 1.9280e-01 4475 1 1 1 1 10 GLU HB2 4.82 M 2.04 0.22 1.3307e-36 4475 1 1 1 1 10 GLU HB3 2.04 . 2.04 0.23 1.0000e+00 4475 1 1 1 1 10 GLU HG2 1.68 . 2.31 0.21 2.6998e-03 4475 1 1 1 1 10 GLU HG3 1.68 . 2.31 0.21 2.6998e-03 4475 1 1 1 1 10 GLU N 118.5 . 120.68 3.68 5.5359e-01 4475 1 1 1 1 32 CYS C 177.3 . 174.78 1.99 2.0539e-01 4475 1 1 1 1 32 CYS CA 49.7 M 57.43 3.41 2.3399e-02 4475 1 1 1 1 32 CYS CB 37.2 . 34.15 6.77 6.5234e-01 4475 1 1 1 1 32 CYS H 8.04 . 8.42 0.66 5.6478e-01 4475 1 1 1 1 32 CYS HA 4.91 . 4.73 0.57 7.5216e-01 4475 1 1 1 1 32 CYS HB2 3.53 . 2.95 0.43 1.7739e-01 4475 1 1 1 1 32 CYS HB3 3.01 . 2.98 0.45 9.4685e-01 4475 1 1 1 1 32 CYS N 117.1 . 119.95 4.79 5.5185e-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 4475 1 1 1 1 10 GLU CYS 0.81 4475 1 1 1 1 10 GLU GLU 0.16 4475 1 1 1 1 10 GLU GLN 0.02 4475 1 1 1 1 32 CYS CYS 0.76 4475 1 1 1 1 32 CYS ASP 0.08 4475 1 1 1 1 32 CYS MET 0.03 4475 1 1 1 1 32 CYS PHE 0.03 4475 1 1 1 1 32 CYS GLY 0.02 4475 1 1 1 1 32 CYS PRO 0.02 4475 1 1 1 1 32 CYS GLU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4475 _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 4475 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 4475 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4475 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4475 _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_