data_AVS_bmrb_pdb_report_15955 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15955 _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 37 THR Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 15955 1 1 1 1 149 TRP Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 15955 1 1 1 1 159 TRP Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 15955 1 1 1 1 195 PHE Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 15955 1 1 1 1 224 ASN Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 15955 1 1 1 1 230 ASN Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 15955 1 1 1 2 1 RET UNSUPPORTED . . . . . . . 15955 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 37 THR C 175.7 . 174.6 1.8 5.4113e-01 15955 1 1 1 1 37 THR CA 69.2 A 62.15 2.72 9.5444e-03 15955 1 1 1 1 37 THR CB 68.5 . 69.64 1.7 5.0248e-01 15955 1 1 1 1 37 THR CG2 22.9 . 21.44 1.39 2.9355e-01 15955 1 1 1 1 37 THR N 117.6 . 115.7 5.05 7.0674e-01 15955 1 1 1 1 149 TRP C 176.2 . 176.1 1.89 9.5780e-01 15955 1 1 1 1 149 TRP CA 62.9 . 57.71 2.65 5.0173e-02 15955 1 1 1 1 149 TRP CB 28.7 . 30.16 2.19 5.0499e-01 15955 1 1 1 1 149 TRP CG 113.7 . 110.37 1.55 3.1683e-02 15955 1 1 1 1 149 TRP CD1 130.5 A 126.16 1.76 1.3667e-02 15955 1 1 1 1 149 TRP N 118.6 . 121.87 4.58 4.7524e-01 15955 1 1 1 1 159 TRP C 177.5 . 176.1 1.89 4.5885e-01 15955 1 1 1 1 159 TRP CA 59.4 . 57.71 2.65 5.2365e-01 15955 1 1 1 1 159 TRP CB 29.5 . 30.16 2.19 7.6313e-01 15955 1 1 1 1 159 TRP CG 110.8 . 110.37 1.55 7.8146e-01 15955 1 1 1 1 159 TRP CD1 122.7 . 126.16 1.76 4.9309e-02 15955 1 1 1 1 159 TRP CE2 139.5 A 137.38 2.86 4.5854e-01 15955 1 1 1 1 159 TRP N 119.2 . 121.87 4.58 5.5991e-01 15955 1 1 1 1 195 PHE C 177.2 . 175.49 2.13 4.2208e-01 15955 1 1 1 1 195 PHE CA 61.3 . 58.25 2.73 2.6390e-01 15955 1 1 1 1 195 PHE CB 40.7 . 39.95 2.04 7.1314e-01 15955 1 1 1 1 195 PHE CG 141.1 A 138.35 1.12 1.4074e-02 15955 1 1 1 1 195 PHE CD1 131.9 . 131.38 1.38 7.0631e-01 15955 1 1 1 1 195 PHE N 111.0 . 120.69 4.18 2.0439e-02 15955 1 1 1 1 224 ASN C 177.2 . 175.16 1.76 2.4642e-01 15955 1 1 1 1 224 ASN CA 55.0 . 53.43 1.94 4.1836e-01 15955 1 1 1 1 224 ASN CB 36.5 . 38.66 1.78 2.2494e-01 15955 1 1 1 1 224 ASN CG 173.6 . 176.61 1.33 2.3626e-02 15955 1 1 1 1 224 ASN N 120.1 . 119.13 4.42 8.2629e-01 15955 1 1 1 1 224 ASN ND2 99.4 A 112.83 2.6 2.3995e-07 15955 1 1 1 1 230 ASN C 175.5 . 175.16 1.76 8.4682e-01 15955 1 1 1 1 230 ASN CA 55.0 . 53.43 1.94 4.1836e-01 15955 1 1 1 1 230 ASN CB 38.7 . 38.66 1.78 9.8207e-01 15955 1 1 1 1 230 ASN CG 171.2 A 176.61 1.33 4.7486e-05 15955 1 1 1 1 230 ASN N 114.1 . 119.13 4.42 2.5512e-01 15955 1 1 1 1 230 ASN ND2 108.3 . 112.83 2.6 8.1455e-02 15955 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 37 THR THR 0.96 15955 1 1 1 1 37 THR CYS 0.03 15955 1 1 1 1 149 TRP CYS 0.87 15955 1 1 1 1 149 TRP HIS 0.1 15955 1 1 1 1 149 TRP TRP 0.02 15955 1 1 1 1 159 TRP CYS 0.65 15955 1 1 1 1 159 TRP TRP 0.34 15955 1 1 1 1 195 PHE CYS 0.74 15955 1 1 1 1 195 PHE PHE 0.24 15955 1 1 1 1 224 ASN CYS 0.91 15955 1 1 1 1 224 ASN ASN 0.08 15955 1 1 1 1 230 ASN CYS 0.99 15955 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15955 _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 15955 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15955 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15955 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15955 _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_