data_AVS_bmrb_pdb_report_6297 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6297 _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 6297 1 1 1 1 71 CYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6297 1 1 1 1 75 TYR 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 6297 1 1 1 1 71 CYS C 172.068 . 174.78 1.99 1.7294e-01 6297 1 1 1 1 71 CYS CA 56.894 . 57.43 3.41 8.7510e-01 6297 1 1 1 1 71 CYS CB 27.903 . 34.15 6.77 3.5614e-01 6297 1 1 1 1 71 CYS H 8.530 . 8.42 0.66 8.6763e-01 6297 1 1 1 1 71 CYS HA 4.398 . 4.73 0.57 5.6026e-01 6297 1 1 1 1 71 CYS HB2 2.318 . 2.95 0.43 1.4162e-01 6297 1 1 1 1 71 CYS HB3 2.699 . 2.98 0.45 5.3234e-01 6297 1 1 1 1 71 CYS HG 0.789 M 1.66 0.48 6.9588e-02 6297 1 1 1 1 71 CYS N 125.579 . 119.95 4.79 2.3993e-01 6297 1 1 1 1 75 TYR CA 57.140 . 58.02 2.64 7.3888e-01 6297 1 1 1 1 75 TYR CB 38.233 . 39.16 2.23 6.7763e-01 6297 1 1 1 1 75 TYR CD1 133.338 . 132.54 1.35 5.5445e-01 6297 1 1 1 1 75 TYR CD2 134.341 . 132.26 1.99 2.9569e-01 6297 1 1 1 1 75 TYR CE1 118.031 . 117.81 2.09 9.1579e-01 6297 1 1 1 1 75 TYR CE2 119.968 . 117.91 2.6 4.2863e-01 6297 1 1 1 1 75 TYR H 7.513 . 8.37 0.75 2.5318e-01 6297 1 1 1 1 75 TYR HA 4.779 . 4.63 0.56 7.9018e-01 6297 1 1 1 1 75 TYR HB2 2.922 . 2.91 0.37 9.7413e-01 6297 1 1 1 1 75 TYR HB3 3.118 . 2.91 0.37 5.7401e-01 6297 1 1 1 1 75 TYR HD1 7.468 . 6.87 0.65 3.5757e-01 6297 1 1 1 1 75 TYR HD2 7.058 . 6.86 0.68 7.7092e-01 6297 1 1 1 1 75 TYR HE1 6.859 . 6.64 0.58 7.0574e-01 6297 1 1 1 1 75 TYR HE2 7.354 . 6.63 0.61 2.3527e-01 6297 1 1 1 1 75 TYR HH 13.748 M 9.25 1.34 7.8874e-04 6297 1 1 1 1 75 TYR N 124.131 . 120.79 4.69 4.7624e-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 6297 1 1 1 1 71 CYS ARG 0.17 6297 1 1 1 1 71 CYS GLN 0.15 6297 1 1 1 1 71 CYS LYS 0.15 6297 1 1 1 1 71 CYS CYS 0.12 6297 1 1 1 1 71 CYS HIS 0.11 6297 1 1 1 1 71 CYS LEU 0.1 6297 1 1 1 1 71 CYS GLU 0.09 6297 1 1 1 1 71 CYS ILE 0.04 6297 1 1 1 1 71 CYS MET 0.01 6297 1 1 1 1 75 TYR TYR 0.51 6297 1 1 1 1 75 TYR CYS 0.48 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6297 _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 6297 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 6297 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6297 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6297 _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_