data_AVS_bmrb_pdb_report_6199 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6199 _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 6199 1 1 1 1 152 TYR Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 6199 1 1 1 1 163 ASP 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 6199 1 1 1 1 152 TYR C 180.4 M 175.39 1.89 8.0303e-03 6199 1 1 1 1 152 TYR CA 56.0 . 58.02 2.64 4.4418e-01 6199 1 1 1 1 152 TYR CB 39.8 . 39.16 2.23 7.7412e-01 6199 1 1 1 1 152 TYR CD1 133.2 . 132.54 1.35 6.2492e-01 6199 1 1 1 1 152 TYR CE1 117.4 . 117.81 2.09 8.4448e-01 6199 1 1 1 1 152 TYR H 8.16 . 8.37 0.75 7.7948e-01 6199 1 1 1 1 152 TYR HA 4.88 . 4.63 0.56 6.5529e-01 6199 1 1 1 1 152 TYR HB2 1.66 S 2.91 0.37 7.2915e-04 6199 1 1 1 1 152 TYR HB3 3.04 . 2.91 0.37 7.2532e-01 6199 1 1 1 1 152 TYR HD1 6.76 . 6.87 0.65 8.6562e-01 6199 1 1 1 1 152 TYR HE1 6.86 . 6.64 0.58 7.0446e-01 6199 1 1 1 1 152 TYR N 115.2 . 120.79 4.69 2.3330e-01 6199 1 1 1 1 163 ASP CA 53.0 . 54.52 2.1 4.6918e-01 6199 1 1 1 1 163 ASP CB 42.9 . 40.7 1.67 1.8772e-01 6199 1 1 1 1 163 ASP H 8.84 . 8.33 0.57 3.7093e-01 6199 1 1 1 1 163 ASP HA 4.57 . 4.61 0.31 8.9733e-01 6199 1 1 1 1 163 ASP HB2 1.10 M 2.74 0.29 1.5569e-08 6199 1 1 1 1 163 ASP HB3 1.56 S 2.7 0.29 8.4581e-05 6199 1 1 1 1 163 ASP N 122.5 . 120.73 4.2 6.7344e-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 6199 1 1 1 1 152 TYR TYR 0.58 6199 1 1 1 1 152 TYR CYS 0.41 6199 1 1 1 1 163 ASP LEU 0.29 6199 1 1 1 1 163 ASP ASP 0.2 6199 1 1 1 1 163 ASP ARG 0.16 6199 1 1 1 1 163 ASP CYS 0.11 6199 1 1 1 1 163 ASP LYS 0.07 6199 1 1 1 1 163 ASP GLY 0.05 6199 1 1 1 1 163 ASP ASN 0.03 6199 1 1 1 1 163 ASP PHE 0.03 6199 1 1 1 1 163 ASP TYR 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6199 _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 6199 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 6199 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6199 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6199 _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_