data_AVS_bmrb_pdb_report_16813 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16813 _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 2 46 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16813 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 2 46 TRP CA 57.451 . 57.71 2.65 9.2214e-01 16813 1 1 1 2 46 TRP CB 32.111 . 30.16 2.19 3.7300e-01 16813 1 1 1 2 46 TRP CD1 130.176 A 126.16 1.76 2.2500e-02 16813 1 1 1 2 46 TRP CE3 118.747 . 120.38 1.5 2.7630e-01 16813 1 1 1 2 46 TRP CZ2 115.092 . 114.19 1.09 4.0794e-01 16813 1 1 1 2 46 TRP CZ3 121.090 . 121.57 1.76 7.8506e-01 16813 1 1 1 2 46 TRP CH2 125.447 . 123.75 1.34 2.0536e-01 16813 1 1 1 2 46 TRP H 8.107 . 8.35 0.84 7.7236e-01 16813 1 1 1 2 46 TRP HA 4.958 . 4.74 0.55 6.9184e-01 16813 1 1 1 2 46 TRP HB2 2.790 . 3.22 0.36 2.3230e-01 16813 1 1 1 2 46 TRP HB3 2.833 . 3.18 0.36 3.3510e-01 16813 1 1 1 2 46 TRP HD1 7.964 . 7.16 0.34 1.8044e-02 16813 1 1 1 2 46 TRP HE1 10.061 . 10.13 0.53 8.9642e-01 16813 1 1 1 2 46 TRP HE3 7.282 . 7.17 1.03 9.1341e-01 16813 1 1 1 2 46 TRP HZ2 7.318 . 7.14 0.89 8.4148e-01 16813 1 1 1 2 46 TRP HZ3 6.991 . 6.68 1.02 7.6044e-01 16813 1 1 1 2 46 TRP HH2 7.383 . 6.82 0.94 5.4922e-01 16813 1 1 1 2 46 TRP N 121.332 . 121.87 4.58 9.0649e-01 16813 1 1 1 2 46 TRP NE1 128.729 . 129.48 2.56 7.6925e-01 16813 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 2 46 TRP CYS 0.66 16813 1 1 1 2 46 TRP HIS 0.19 16813 1 1 1 2 46 TRP TRP 0.14 16813 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16813 _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 16813 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16813 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16813 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16813 _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_