data_AVS_bmrb_pdb_report_16824 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16824 _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 14 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16824 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 14 TRP C 173.437 . 176.1 1.89 1.5884e-01 16824 1 1 1 1 14 TRP CA 57.320 . 57.71 2.65 8.8300e-01 16824 1 1 1 1 14 TRP CB 31.380 . 30.16 2.19 5.7747e-01 16824 1 1 1 1 14 TRP CD1 124.818 . 126.16 1.76 4.4576e-01 16824 1 1 1 1 14 TRP CZ2 113.000 . 114.19 1.09 2.7495e-01 16824 1 1 1 1 14 TRP CH2 123.200 . 123.75 1.34 6.8148e-01 16824 1 1 1 1 14 TRP H 7.760 . 8.35 0.84 4.8244e-01 16824 1 1 1 1 14 TRP HA 4.309 . 4.74 0.55 4.3325e-01 16824 1 1 1 1 14 TRP HB2 2.607 . 3.22 0.36 8.8610e-02 16824 1 1 1 1 14 TRP HB3 2.353 . 3.18 0.36 2.1606e-02 16824 1 1 1 1 14 TRP HD1 5.715 A 7.16 0.34 2.1377e-05 16824 1 1 1 1 14 TRP HE1 9.400 . 10.13 0.53 1.6840e-01 16824 1 1 1 1 14 TRP HE3 6.510 . 7.17 1.03 5.2167e-01 16824 1 1 1 1 14 TRP HZ2 7.180 . 7.14 0.89 9.6415e-01 16824 1 1 1 1 14 TRP HZ3 6.540 . 6.68 1.02 8.9083e-01 16824 1 1 1 1 14 TRP HH2 6.910 . 6.82 0.94 9.2372e-01 16824 1 1 1 1 14 TRP N 122.550 . 121.87 4.58 8.8197e-01 16824 1 1 1 1 14 TRP NE1 127.338 . 129.48 2.56 4.0275e-01 16824 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 14 TRP TRP 0.99 16824 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16824 _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 16824 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16824 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16824 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16824 _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_