data_AVS_bmrb_pdb_report_27434 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 27434 _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 7 TYR Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 27434 1 1 1 1 10 HSE UNSUPPORTED . . . . . . . 27434 1 1 1 1 49 HSD UNSUPPORTED . . . . . . . 27434 1 1 1 1 79 HSD UNSUPPORTED . . . . . . . 27434 1 1 1 1 109 HSD UNSUPPORTED . . . . . . . 27434 1 1 1 1 179 TYR Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 27434 1 1 1 1 180 LYS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 27434 1 1 1 1 181 PHE Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 27434 1 1 1 1 182 HSD UNSUPPORTED . . . . . . . 27434 1 1 1 1 186 HSD UNSUPPORTED . . . . . . . 27434 1 1 1 1 205 HSD UNSUPPORTED . . . . . . . 27434 1 1 1 1 206 TYR Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 27434 1 1 1 1 209 THR Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 27434 1 1 1 1 212 PRO Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 27434 1 1 1 1 225 ARG Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 27434 1 1 1 1 255 ARG Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 27434 1 1 1 1 258 HSE UNSUPPORTED . . . . . . . 27434 1 1 1 1 260 CYS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 27434 1 1 1 1 261 HSE UNSUPPORTED . . . . . . . 27434 1 1 1 1 264 TYR Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 27434 1 1 1 1 310 HSE UNSUPPORTED . . . . . . . 27434 1 1 1 1 311 HSD UNSUPPORTED . . . . . . . 27434 1 1 1 1 335 HSD UNSUPPORTED . . . . . . . 27434 1 1 1 1 408 HSD UNSUPPORTED . . . . . . . 27434 1 1 1 1 418 HSD UNSUPPORTED . . . . . . . 27434 1 1 1 1 430 HSD UNSUPPORTED . . . . . . . 27434 1 1 1 1 464 HSD UNSUPPORTED . . . . . . . 27434 1 1 1 1 487 MET Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 27434 1 1 1 1 488 HSD UNSUPPORTED . . . . . . . 27434 1 1 1 1 516 HSD UNSUPPORTED . . . . . . . 27434 1 1 1 2 1 PCB UNSUPPORTED . . . . . . . 27434 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 7 TYR HD2 9.4 A 6.93 0.3 1.8207e-16 27434 1 1 1 1 7 TYR HE2 10.1 A 6.71 0.23 3.6141e-49 27434 1 1 1 1 179 TYR HB2 3.2 . 2.91 0.37 4.3317e-01 27434 1 1 1 1 179 TYR HB3 3.2 . 2.84 0.39 3.5597e-01 27434 1 1 1 1 179 TYR HD2 8.6 A 6.93 0.3 2.5966e-08 27434 1 1 1 1 179 TYR HE2 8.8 A 6.71 0.23 1.0185e-19 27434 1 1 1 1 180 LYS H 12.3 A 8.19 0.6 7.3850e-12 27434 1 1 1 1 181 PHE HD1 8.5 A 7.06 0.31 3.3981e-06 27434 1 1 1 1 181 PHE HE1 7.9 . 7.08 0.31 8.1652e-03 27434 1 1 1 1 181 PHE HZ 7.0 . 7 0.42 1.0000e+00 27434 1 1 1 1 206 TYR HB2 3.7 . 2.91 0.37 3.2750e-02 27434 1 1 1 1 206 TYR HB3 3.7 . 2.84 0.39 2.7445e-02 27434 1 1 1 1 206 TYR HE2 10.5 A 6.71 0.23 5.2576e-61 27434 1 1 1 1 209 THR HB 4.7 . 4.17 0.33 1.0826e-01 27434 1 1 1 1 209 THR HG1 9.7 A 4.92 1.58 2.4837e-03 27434 1 1 1 1 212 PRO HB2 2.9 . 2.08 0.35 1.9137e-02 27434 1 1 1 1 212 PRO HB3 2.9 . 2 0.36 1.2419e-02 27434 1 1 1 1 212 PRO HG2 3.7 S 1.93 0.31 1.1319e-08 27434 1 1 1 1 212 PRO HG3 3.7 S 1.9 0.33 4.9098e-08 27434 1 1 1 1 212 PRO HD2 6.2 A 3.65 0.35 3.1997e-13 27434 1 1 1 1 212 PRO HD3 6.2 A 3.61 0.39 3.1151e-11 27434 1 1 1 1 225 ARG HD2 5.0 A 3.12 0.24 4.7510e-15 27434 1 1 1 1 225 ARG HD3 5.0 A 3.1 0.26 2.7177e-13 27434 1 1 1 1 225 ARG HE 10.0 S 7.4 0.63 3.6755e-05 27434 1 1 1 1 225 ARG HH22 9.9 S 6.76 0.36 2.7279e-18 27434 1 1 1 1 255 ARG HH11 11.7 A 6.91 0.46 2.1620e-25 27434 1 1 1 1 255 ARG HH22 8.5 S 6.76 0.36 1.3427e-06 27434 1 1 1 1 260 CYS H 12.0 S 8.39 0.67 7.1222e-08 27434 1 1 1 1 260 CYS HA 5.8 . 4.66 0.55 3.8198e-02 27434 1 1 1 1 260 CYS HB2 4.9 A 2.96 0.44 1.0381e-05 27434 1 1 1 1 260 CYS HB3 4.9 A 2.89 0.46 1.2449e-05 27434 1 1 1 1 264 TYR HD1 10.5 A 6.93 0.3 1.1835e-32 27434 1 1 1 1 264 TYR HE1 11.7 A 6.7 0.23 0.0000e+00 27434 1 1 1 1 264 TYR HE2 10.8 A 6.71 0.23 9.6389e-71 27434 1 1 1 1 264 TYR HH 10.0 . 9.3 1.36 6.0676e-01 27434 1 1 1 1 487 MET HG2 4.3 S 2.42 0.35 7.8115e-08 27434 1 1 1 1 487 MET HG3 4.3 A 2.39 0.38 4.9999e-07 27434 1 1 1 1 487 MET HE1 2.9 . 1.89 0.46 2.8117e-02 27434 1 1 1 1 487 MET HE2 2.9 . 1.89 0.46 2.8117e-02 27434 1 1 1 1 487 MET HE3 2.9 . 1.89 0.46 2.8117e-02 27434 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 27434 _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 27434 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 27434 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 27434 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 27434 _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_