data_AVS_bmrb_pdb_report_16619 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16619 _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 1 151 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16619 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 1 151 TRP C 179.1300 . 176.1 1.89 1.0890e-01 16619 1 1 1 1 151 TRP CA 58.1400 . 57.71 2.65 8.7110e-01 16619 1 1 1 1 151 TRP CB 28.4490 . 30.16 2.19 4.3464e-01 16619 1 1 1 1 151 TRP CD1 127.6400 . 126.16 1.76 4.0040e-01 16619 1 1 1 1 151 TRP CE3 119.0800 . 120.38 1.5 3.8612e-01 16619 1 1 1 1 151 TRP CZ3 121.3400 . 121.57 1.76 8.9603e-01 16619 1 1 1 1 151 TRP CH2 124.8300 . 123.75 1.34 4.2026e-01 16619 1 1 1 1 151 TRP H 8.3577 . 8.35 0.84 9.9269e-01 16619 1 1 1 1 151 TRP HA 4.7004 . 4.74 0.55 9.4260e-01 16619 1 1 1 1 151 TRP HB2 3.1610 . 3.22 0.36 8.6982e-01 16619 1 1 1 1 151 TRP HB3 3.1610 . 3.18 0.36 9.5791e-01 16619 1 1 1 1 151 TRP HD1 5.6600 A 7.16 0.34 1.0253e-05 16619 1 1 1 1 151 TRP HE1 10.1140 . 10.13 0.53 9.7592e-01 16619 1 1 1 1 151 TRP HE3 7.7130 . 7.17 1.03 5.9807e-01 16619 1 1 1 1 151 TRP HZ2 7.2520 . 7.14 0.89 8.9986e-01 16619 1 1 1 1 151 TRP HZ3 6.4750 . 6.68 1.02 8.4071e-01 16619 1 1 1 1 151 TRP HH2 6.2450 . 6.82 0.94 5.4073e-01 16619 1 1 1 1 151 TRP N 121.7068 . 121.87 4.58 9.7158e-01 16619 1 1 1 1 151 TRP NE1 128.4150 . 129.48 2.56 6.7740e-01 16619 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 1 151 TRP TRP 0.52 16619 1 1 1 1 151 TRP CYS 0.42 16619 1 1 1 1 151 TRP HIS 0.05 16619 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16619 _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 16619 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16619 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16619 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16619 _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_