data_AVS_bmrb_pdb_report_25459 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25459 _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 32 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25459 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 32 TRP C 177.30 . 176.12 2.01 5.5716e-01 25459 1 1 1 1 32 TRP CA 57.33 . 57.66 2.58 8.9822e-01 25459 1 1 1 1 32 TRP CB 30.76 . 30.01 2.01 7.0905e-01 25459 1 1 1 1 32 TRP H 7.831 . 8.29 0.79 5.6123e-01 25459 1 1 1 1 32 TRP HA 4.700 . 4.68 0.53 9.6990e-01 25459 1 1 1 1 32 TRP HB2 3.344 . 3.19 0.35 6.5994e-01 25459 1 1 1 1 32 TRP HB3 3.143 . 3.12 0.36 9.4906e-01 25459 1 1 1 1 32 TRP HD1 7.194 . 7.14 0.36 8.8076e-01 25459 1 1 1 1 32 TRP HE1 7.539 S 10.08 0.66 1.1812e-04 25459 1 1 1 1 32 TRP HE3 9.932 A 7.31 0.41 1.6042e-10 25459 1 1 1 1 32 TRP HZ2 6.909 . 7.28 0.33 2.6091e-01 25459 1 1 1 1 32 TRP HZ3 7.055 . 6.86 0.4 6.2590e-01 25459 1 1 1 1 32 TRP HH2 7.389 . 6.98 0.39 2.9431e-01 25459 1 1 1 1 32 TRP N 121.41 . 121.68 4.18 9.4850e-01 25459 1 1 1 1 32 TRP NE1 128.88 . 129.32 2.11 8.3481e-01 25459 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 32 TRP ARG 0.14 25459 1 1 1 1 32 TRP TRP 0.14 25459 1 1 1 1 32 TRP CYS 0.14 25459 1 1 1 1 32 TRP HIS 0.14 25459 1 1 1 1 32 TRP GLU 0.14 25459 1 1 1 1 32 TRP GLN 0.09 25459 1 1 1 1 32 TRP MET 0.08 25459 1 1 1 1 32 TRP LYS 0.07 25459 1 1 1 1 32 TRP VAL 0.01 25459 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25459 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 25459 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25459 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25459 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25459 _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_