data_AVS_bmrb_pdb_report_15736 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15736 _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 43 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15736 1 1 1 1 132 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15736 1 1 1 1 145 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15736 1 1 1 1 150 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15736 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 43 TRP C 174.873 . 176.12 2.01 5.3500e-01 15736 1 1 1 1 43 TRP CA 58.338 . 57.66 2.58 7.9271e-01 15736 1 1 1 1 43 TRP CB 30.439 . 30.01 2.01 8.3099e-01 15736 1 1 1 1 43 TRP H 7.627 . 8.29 0.79 4.0133e-01 15736 1 1 1 1 43 TRP HA 4.492 . 4.68 0.53 7.2280e-01 15736 1 1 1 1 43 TRP HB2 3.275 . 3.19 0.35 8.0812e-01 15736 1 1 1 1 43 TRP HB3 3.072 . 3.12 0.36 8.9393e-01 15736 1 1 1 1 43 TRP HE1 9.964 . 10.08 0.66 8.6048e-01 15736 1 1 1 1 43 TRP HE3 9.964 A 7.31 0.41 9.5967e-11 15736 1 1 1 1 43 TRP HZ2 6.154 S 7.28 0.33 6.4459e-04 15736 1 1 1 1 43 TRP HZ3 6.350 . 6.86 0.4 2.0231e-01 15736 1 1 1 1 43 TRP N 132.301 . 121.68 4.18 1.1056e-02 15736 1 1 1 1 43 TRP NE1 130.689 . 129.32 2.11 5.1646e-01 15736 1 1 1 1 132 TRP C 174.640 . 176.12 2.01 4.6154e-01 15736 1 1 1 1 132 TRP CA 55.453 . 57.66 2.58 3.9232e-01 15736 1 1 1 1 132 TRP CB 30.961 . 30.01 2.01 6.3612e-01 15736 1 1 1 1 132 TRP H 9.477 . 8.29 0.79 1.3296e-01 15736 1 1 1 1 132 TRP HA 5.647 . 4.68 0.53 6.8072e-02 15736 1 1 1 1 132 TRP HB2 3.365 . 3.19 0.35 6.1707e-01 15736 1 1 1 1 132 TRP HB3 3.290 . 3.12 0.36 6.3677e-01 15736 1 1 1 1 132 TRP HE1 10.437 . 10.08 0.66 5.8857e-01 15736 1 1 1 1 132 TRP HE3 10.437 A 7.31 0.41 2.4060e-14 15736 1 1 1 1 132 TRP HZ2 6.785 . 7.28 0.33 1.3361e-01 15736 1 1 1 1 132 TRP N 133.005 . 121.68 4.18 6.7419e-03 15736 1 1 1 1 132 TRP NE1 128.976 . 129.32 2.11 8.7049e-01 15736 1 1 1 1 145 TRP C 175.669 . 176.12 2.01 8.2246e-01 15736 1 1 1 1 145 TRP CA 56.086 . 57.66 2.58 5.4181e-01 15736 1 1 1 1 145 TRP CB 30.064 . 30.01 2.01 9.7857e-01 15736 1 1 1 1 145 TRP H 9.317 . 8.29 0.79 1.9360e-01 15736 1 1 1 1 145 TRP HA 4.681 . 4.68 0.53 9.9849e-01 15736 1 1 1 1 145 TRP HB2 2.939 . 3.19 0.35 4.7329e-01 15736 1 1 1 1 145 TRP HB3 2.533 . 3.12 0.36 1.0298e-01 15736 1 1 1 1 145 TRP HE1 10.158 . 10.08 0.66 9.0592e-01 15736 1 1 1 1 145 TRP HE3 10.158 A 7.31 0.41 3.7488e-12 15736 1 1 1 1 145 TRP HZ2 6.896 . 7.28 0.33 2.4457e-01 15736 1 1 1 1 145 TRP N 124.557 . 121.68 4.18 4.9128e-01 15736 1 1 1 1 145 TRP NE1 129.970 . 129.32 2.11 7.5804e-01 15736 1 1 1 1 150 TRP C 170.802 . 176.12 2.01 8.1505e-03 15736 1 1 1 1 150 TRP CA 54.991 . 57.66 2.58 3.0090e-01 15736 1 1 1 1 150 TRP CB 30.094 . 30.01 2.01 9.6667e-01 15736 1 1 1 1 150 TRP H 8.887 . 8.29 0.79 4.4983e-01 15736 1 1 1 1 150 TRP HA 5.757 . 4.68 0.53 4.2146e-02 15736 1 1 1 1 150 TRP HB2 3.383 . 3.19 0.35 5.8134e-01 15736 1 1 1 1 150 TRP HB3 3.178 . 3.12 0.36 8.7201e-01 15736 1 1 1 1 150 TRP HE1 9.931 . 10.08 0.66 8.2139e-01 15736 1 1 1 1 150 TRP HE3 9.931 A 7.31 0.41 1.6300e-10 15736 1 1 1 1 150 TRP HZ2 7.586 . 7.28 0.33 3.5379e-01 15736 1 1 1 1 150 TRP N 121.432 . 121.68 4.18 9.5269e-01 15736 1 1 1 1 150 TRP NE1 131.622 . 129.32 2.11 2.7527e-01 15736 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 43 TRP TRP 0.16 15736 1 1 1 1 43 TRP CYS 0.16 15736 1 1 1 1 43 TRP GLU 0.14 15736 1 1 1 1 43 TRP ARG 0.13 15736 1 1 1 1 43 TRP HIS 0.12 15736 1 1 1 1 43 TRP GLN 0.09 15736 1 1 1 1 43 TRP LYS 0.05 15736 1 1 1 1 43 TRP MET 0.05 15736 1 1 1 1 43 TRP VAL 0.02 15736 1 1 1 1 43 TRP ILE 0.02 15736 1 1 1 1 132 TRP HIS 0.16 15736 1 1 1 1 132 TRP ARG 0.15 15736 1 1 1 1 132 TRP CYS 0.12 15736 1 1 1 1 132 TRP MET 0.12 15736 1 1 1 1 132 TRP TRP 0.11 15736 1 1 1 1 132 TRP GLU 0.1 15736 1 1 1 1 132 TRP GLN 0.1 15736 1 1 1 1 132 TRP LYS 0.08 15736 1 1 1 1 145 TRP HIS 0.15 15736 1 1 1 1 145 TRP ARG 0.14 15736 1 1 1 1 145 TRP GLN 0.13 15736 1 1 1 1 145 TRP GLU 0.13 15736 1 1 1 1 145 TRP TRP 0.13 15736 1 1 1 1 145 TRP CYS 0.11 15736 1 1 1 1 145 TRP LYS 0.08 15736 1 1 1 1 145 TRP MET 0.06 15736 1 1 1 1 150 TRP HIS 0.17 15736 1 1 1 1 150 TRP ARG 0.15 15736 1 1 1 1 150 TRP GLN 0.14 15736 1 1 1 1 150 TRP TRP 0.12 15736 1 1 1 1 150 TRP CYS 0.12 15736 1 1 1 1 150 TRP GLU 0.11 15736 1 1 1 1 150 TRP LYS 0.08 15736 1 1 1 1 150 TRP MET 0.08 15736 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15736 _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 15736 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15736 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15736 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15736 _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_