data_AVS_bmrb_pdb_report_10033 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10033 _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 10033 1 1 1 1 18 TRP 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 10033 1 1 1 1 18 TRP C 177.643 . 176.1 1.89 4.1427e-01 10033 1 1 1 1 18 TRP CA 58.598 . 57.71 2.65 7.3755e-01 10033 1 1 1 1 18 TRP CB 31.190 . 30.16 2.19 6.3813e-01 10033 1 1 1 1 18 TRP CD1 127.745 . 126.16 1.76 3.6782e-01 10033 1 1 1 1 18 TRP CE3 120.210 . 120.38 1.5 9.0977e-01 10033 1 1 1 1 18 TRP CZ2 114.568 . 114.19 1.09 7.2875e-01 10033 1 1 1 1 18 TRP CZ3 121.657 . 121.57 1.76 9.6058e-01 10033 1 1 1 1 18 TRP CH2 124.798 . 123.75 1.34 4.3416e-01 10033 1 1 1 1 18 TRP H 7.022 . 8.35 0.84 1.1389e-01 10033 1 1 1 1 18 TRP HA 4.513 . 4.74 0.55 6.7981e-01 10033 1 1 1 1 18 TRP HB2 2.270 . 3.22 0.36 8.3178e-03 10033 1 1 1 1 18 TRP HB3 3.128 . 3.18 0.36 8.8515e-01 10033 1 1 1 1 18 TRP HD1 5.470 M 7.16 0.34 6.6750e-07 10033 1 1 1 1 18 TRP HE1 10.198 . 10.13 0.53 8.9791e-01 10033 1 1 1 1 18 TRP HE3 7.305 . 7.17 1.03 8.9572e-01 10033 1 1 1 1 18 TRP HZ2 7.375 . 7.14 0.89 7.9175e-01 10033 1 1 1 1 18 TRP HZ3 7.004 . 6.68 1.02 7.5075e-01 10033 1 1 1 1 18 TRP HH2 7.102 . 6.82 0.94 7.6418e-01 10033 1 1 1 1 18 TRP N 122.467 . 121.87 4.58 8.9629e-01 10033 1 1 1 1 18 TRP NE1 129.974 . 129.48 2.56 8.4698e-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 10033 1 1 1 1 18 TRP TRP 0.49 10033 1 1 1 1 18 TRP CYS 0.45 10033 1 1 1 1 18 TRP HIS 0.04 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10033 _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 10033 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 10033 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10033 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10033 _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_