data_AVS_bmrb_pdb_report_6692 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6692 _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 6692 1 1 1 1 52 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6692 1 1 1 1 96 ARG 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 6692 1 1 1 1 52 TYR CA 53.742 . 58.02 2.64 1.0513e-01 6692 1 1 1 1 52 TYR CB 38.672 . 39.16 2.23 8.2678e-01 6692 1 1 1 1 52 TYR CD1 130.566 . 132.54 1.35 1.4368e-01 6692 1 1 1 1 52 TYR CD2 130.566 . 132.26 1.99 3.9463e-01 6692 1 1 1 1 52 TYR CE1 114.298 . 117.81 2.09 9.2883e-02 6692 1 1 1 1 52 TYR CE2 114.298 M 117.91 2.6 1.6476e-01 6692 1 1 1 1 52 TYR H 8.181 . 8.37 0.75 8.0104e-01 6692 1 1 1 1 52 TYR HA 5.539 . 4.63 0.56 1.0454e-01 6692 1 1 1 1 52 TYR HB2 2.847 . 2.91 0.37 8.6480e-01 6692 1 1 1 1 52 TYR HB3 2.951 . 2.91 0.37 9.1177e-01 6692 1 1 1 1 52 TYR HD1 6.542 . 6.87 0.65 6.1383e-01 6692 1 1 1 1 52 TYR HD2 6.542 . 6.86 0.68 6.4004e-01 6692 1 1 1 1 52 TYR HE1 6.397 . 6.64 0.58 6.7524e-01 6692 1 1 1 1 52 TYR HE2 6.397 . 6.63 0.61 7.0249e-01 6692 1 1 1 1 52 TYR N 121.452 . 120.79 4.69 8.8775e-01 6692 1 1 1 1 96 ARG CA 54.686 . 56.95 2.41 3.4752e-01 6692 1 1 1 1 96 ARG CB 28.221 . 30.66 1.77 1.6821e-01 6692 1 1 1 1 96 ARG CG 25.566 . 27.31 1.65 2.9053e-01 6692 1 1 1 1 96 ARG CD 40.701 . 43.1 1.1 2.9190e-02 6692 1 1 1 1 96 ARG H 11.649 M 8.24 0.6 1.3339e-08 6692 1 1 1 1 96 ARG HA 4.110 . 4.27 0.44 7.1613e-01 6692 1 1 1 1 96 ARG HB2 1.398 . 1.79 0.28 1.6151e-01 6692 1 1 1 1 96 ARG HB3 1.706 . 1.78 0.28 7.9156e-01 6692 1 1 1 1 96 ARG HG2 1.227 . 1.58 0.27 1.9107e-01 6692 1 1 1 1 96 ARG HG3 1.484 . 1.58 0.27 7.2217e-01 6692 1 1 1 1 96 ARG HD2 2.875 . 3.13 0.23 2.6756e-01 6692 1 1 1 1 96 ARG HD3 2.875 . 3.13 0.22 2.4642e-01 6692 1 1 1 1 96 ARG N 126.612 . 120.61 3.9 1.2381e-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 6692 1 1 1 1 52 TYR CYS 0.76 6692 1 1 1 1 52 TYR TYR 0.23 6692 1 1 1 1 96 ARG LYS 0.34 6692 1 1 1 1 96 ARG LEU 0.34 6692 1 1 1 1 96 ARG CYS 0.26 6692 1 1 1 1 96 ARG ARG 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6692 _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 6692 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 6692 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6692 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6692 _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_