data_AVS_bmrb_pdb_report_10211 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10211 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 85 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 10211 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 85 TRP C 180.969 A 176.1 1.89 9.9896e-03 10211 1 1 1 1 85 TRP CA 58.534 . 57.71 2.65 7.5584e-01 10211 1 1 1 1 85 TRP CB 30.183 . 30.16 2.19 9.9162e-01 10211 1 1 1 1 85 TRP CD1 126.999 . 126.16 1.76 6.3357e-01 10211 1 1 1 1 85 TRP CE3 121.221 . 120.38 1.5 5.7502e-01 10211 1 1 1 1 85 TRP CZ2 114.410 . 114.19 1.09 8.4005e-01 10211 1 1 1 1 85 TRP CZ3 121.777 . 121.57 1.76 9.0637e-01 10211 1 1 1 1 85 TRP CH2 124.407 . 123.75 1.34 6.2392e-01 10211 1 1 1 1 85 TRP H 7.553 . 8.35 0.84 3.4272e-01 10211 1 1 1 1 85 TRP HA 4.453 . 4.74 0.55 6.0180e-01 10211 1 1 1 1 85 TRP HB2 3.317 . 3.22 0.36 7.8759e-01 10211 1 1 1 1 85 TRP HB3 3.109 . 3.18 0.36 8.4365e-01 10211 1 1 1 1 85 TRP HD1 7.163 . 7.16 0.34 9.9296e-01 10211 1 1 1 1 85 TRP HE3 7.637 . 7.17 1.03 6.5026e-01 10211 1 1 1 1 85 TRP HZ2 7.335 . 7.14 0.89 8.2657e-01 10211 1 1 1 1 85 TRP HZ3 7.098 . 6.68 1.02 6.8195e-01 10211 1 1 1 1 85 TRP HH2 7.130 . 6.82 0.94 7.4156e-01 10211 1 1 1 1 85 TRP N 127.450 . 121.87 4.58 2.2309e-01 10211 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 85 TRP TRP 0.53 10211 1 1 1 1 85 TRP CYS 0.43 10211 1 1 1 1 85 TRP HIS 0.02 10211 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10211 _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.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 10211 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10211 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10211 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10211 _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_