data_AVS_bmrb_pdb_report_17299 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17299 _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 32 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17299 1 1 1 1 35 TRP Anomalous Consistent Consistent Anomalous Consistent Anomalous . . 17299 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 32 TRP C 171.384 . 176.1 1.89 1.2587e-02 17299 1 1 1 1 32 TRP CA 54.544 . 57.71 2.65 2.3220e-01 17299 1 1 1 1 32 TRP CB 33.119 . 30.16 2.19 1.7665e-01 17299 1 1 1 1 32 TRP CD1 126.375 . 126.16 1.76 9.0277e-01 17299 1 1 1 1 32 TRP CE3 118.289 . 120.38 1.5 1.6332e-01 17299 1 1 1 1 32 TRP CZ2 114.540 . 114.19 1.09 7.4813e-01 17299 1 1 1 1 32 TRP CZ3 124.796 . 121.57 1.76 6.6810e-02 17299 1 1 1 1 32 TRP CH2 119.152 A 123.75 1.34 6.0060e-04 17299 1 1 1 1 32 TRP H 8.619 . 8.35 0.84 7.4879e-01 17299 1 1 1 1 32 TRP HA 5.041 . 4.74 0.55 5.8419e-01 17299 1 1 1 1 32 TRP HB2 3.049 . 3.22 0.36 6.3479e-01 17299 1 1 1 1 32 TRP HB3 2.903 . 3.18 0.36 4.4163e-01 17299 1 1 1 1 32 TRP HD1 7.229 . 7.16 0.34 8.3918e-01 17299 1 1 1 1 32 TRP HE1 10.761 . 10.13 0.53 2.3382e-01 17299 1 1 1 1 32 TRP HE3 6.784 . 7.17 1.03 7.0784e-01 17299 1 1 1 1 32 TRP HZ2 7.521 . 7.14 0.89 6.6859e-01 17299 1 1 1 1 32 TRP HZ3 7.210 . 6.68 1.02 6.0334e-01 17299 1 1 1 1 32 TRP HH2 6.881 . 6.82 0.94 9.4826e-01 17299 1 1 1 1 32 TRP N 120.820 . 121.87 4.58 8.1867e-01 17299 1 1 1 1 32 TRP NE1 130.900 . 129.48 2.56 5.7911e-01 17299 1 1 1 1 35 TRP C 175.470 . 176.1 1.89 7.3888e-01 17299 1 1 1 1 35 TRP CA 53.612 . 57.71 2.65 1.2200e-01 17299 1 1 1 1 35 TRP CB 28.735 . 30.16 2.19 5.1525e-01 17299 1 1 1 1 35 TRP CD1 128.969 . 126.16 1.76 1.1048e-01 17299 1 1 1 1 35 TRP CZ2 115.302 . 114.19 1.09 3.0764e-01 17299 1 1 1 1 35 TRP CZ3 119.749 . 121.57 1.76 3.0083e-01 17299 1 1 1 1 35 TRP CH2 125.055 . 123.75 1.34 3.3012e-01 17299 1 1 1 1 35 TRP H 6.318 . 8.35 0.84 1.5561e-02 17299 1 1 1 1 35 TRP HA 4.525 . 4.74 0.55 6.9586e-01 17299 1 1 1 1 35 TRP HB2 3.628 . 3.22 0.36 2.5707e-01 17299 1 1 1 1 35 TRP HB3 3.136 . 3.18 0.36 9.0272e-01 17299 1 1 1 1 35 TRP HD1 7.392 . 7.16 0.34 4.9502e-01 17299 1 1 1 1 35 TRP HE1 11.903 A 10.13 0.53 8.2199e-04 17299 1 1 1 1 35 TRP HZ2 7.300 . 7.14 0.89 8.5733e-01 17299 1 1 1 1 35 TRP HZ3 7.106 . 6.68 1.02 6.7620e-01 17299 1 1 1 1 35 TRP HH2 7.171 . 6.82 0.94 7.0885e-01 17299 1 1 1 1 35 TRP N 111.266 . 121.87 4.58 2.0597e-02 17299 1 1 1 1 35 TRP NE1 137.150 A 129.48 2.56 2.7346e-03 17299 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 32 TRP CYS 0.96 17299 1 1 1 1 32 TRP HIS 0.03 17299 1 1 1 1 35 TRP CYS 0.52 17299 1 1 1 1 35 TRP TRP 0.28 17299 1 1 1 1 35 TRP HIS 0.19 17299 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17299 _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 17299 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17299 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17299 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17299 _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_