data_AVS_bmrb_pdb_report_16336 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16336 _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 42 TRP Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16336 1 1 1 1 56 TRP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16336 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 42 TRP CA 81.0 A 57.66 2.58 1.4761e-19 16336 1 1 1 1 42 TRP CB 33.5 . 30.01 2.01 8.2508e-02 16336 1 1 1 1 42 TRP CD1 124.4 . 126.51 1.83 2.4891e-01 16336 1 1 1 1 42 TRP CE3 120.9 . 120.43 1.79 7.9288e-01 16336 1 1 1 1 42 TRP CZ2 114.0 . 114.26 1.12 8.1643e-01 16336 1 1 1 1 42 TRP CZ3 121.6 . 121.35 1.53 8.7020e-01 16336 1 1 1 1 42 TRP CH2 124.4 . 123.86 1.42 7.0374e-01 16336 1 1 1 1 42 TRP HA 6.42 . 4.68 0.53 1.0270e-03 16336 1 1 1 1 42 TRP HB2 3.15 . 3.19 0.35 9.0901e-01 16336 1 1 1 1 42 TRP HB3 3.02 . 3.12 0.36 7.8118e-01 16336 1 1 1 1 42 TRP HD1 6.98 . 7.14 0.36 6.5672e-01 16336 1 1 1 1 42 TRP HE1 10.09 . 10.08 0.66 9.8791e-01 16336 1 1 1 1 42 TRP HE3 7.81 . 7.31 0.41 2.2265e-01 16336 1 1 1 1 42 TRP HZ2 7.33 . 7.28 0.33 8.7957e-01 16336 1 1 1 1 42 TRP HZ3 6.68 . 6.86 0.4 6.5271e-01 16336 1 1 1 1 42 TRP HH2 7.08 . 6.98 0.39 7.9763e-01 16336 1 1 1 1 42 TRP NE1 127.5 . 129.32 2.11 3.8838e-01 16336 1 1 1 1 56 TRP CA 61.9 . 57.66 2.58 1.0030e-01 16336 1 1 1 1 56 TRP CB 28.8 . 30.01 2.01 5.4718e-01 16336 1 1 1 1 56 TRP CD1 128.8 . 126.51 1.83 2.1080e-01 16336 1 1 1 1 56 TRP CE3 121.0 . 120.43 1.79 7.5015e-01 16336 1 1 1 1 56 TRP CZ2 114.8 . 114.26 1.12 6.2970e-01 16336 1 1 1 1 56 TRP CZ3 122.0 . 121.35 1.53 6.7096e-01 16336 1 1 1 1 56 TRP CH2 124.7 . 123.86 1.42 5.5415e-01 16336 1 1 1 1 56 TRP H 8.06 . 8.29 0.79 7.7094e-01 16336 1 1 1 1 56 TRP HA 4.18 . 4.68 0.53 3.4548e-01 16336 1 1 1 1 56 TRP HB2 3.68 . 3.19 0.35 1.6151e-01 16336 1 1 1 1 56 TRP HB3 3.17 . 3.12 0.36 8.8954e-01 16336 1 1 1 1 56 TRP HD1 7.02 . 7.14 0.36 7.3888e-01 16336 1 1 1 1 56 TRP HE1 7.98 . 10.08 0.66 1.4635e-03 16336 1 1 1 1 56 TRP HE3 7.64 . 7.31 0.41 4.2089e-01 16336 1 1 1 1 56 TRP HZ2 7.44 . 7.28 0.33 6.2778e-01 16336 1 1 1 1 56 TRP HZ3 6.86 . 6.86 0.4 1.0000e+00 16336 1 1 1 1 56 TRP HH2 7.22 . 6.98 0.39 5.3830e-01 16336 1 1 1 1 56 TRP N 122.1 . 121.68 4.18 9.1996e-01 16336 1 1 1 1 56 TRP NE1 106.0 A 129.32 2.11 2.1407e-28 16336 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 42 TRP CYS 0.99 16336 1 1 1 1 56 TRP TRP 0.51 16336 1 1 1 1 56 TRP CYS 0.48 16336 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16336 _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 16336 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16336 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16336 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16336 _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_