data_AVS_bmrb_pdb_report_27631 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 27631 _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 1 GLY Anomalous Indeterminable Consistent Indeterminable Anomalous Indeterminable . . 27631 1 1 1 1 46 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 27631 1 1 1 1 142 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 27631 1 1 1 1 143 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 27631 1 1 1 1 163 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 27631 1 1 1 1 266 LEU Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 27631 1 1 1 1 268 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 27631 1 1 1 1 275 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 27631 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 1 GLY C 185.571 A 173.87 1.88 4.8483e-10 27631 1 1 1 1 46 GLU CA 64.656 A 57.32 2.09 4.4803e-04 27631 1 1 1 1 46 GLU CB 31.728 . 30.01 1.72 3.1787e-01 27631 1 1 1 1 46 GLU H 9.328 . 8.33 0.59 9.0737e-02 27631 1 1 1 1 46 GLU N 126.052 . 120.67 3.48 1.2197e-01 27631 1 1 1 1 142 THR C 176.799 . 174.54 1.76 1.9931e-01 27631 1 1 1 1 142 THR CA 51.299 A 62.22 2.59 2.4801e-05 27631 1 1 1 1 142 THR CB 67.208 . 69.73 1.63 1.2181e-01 27631 1 1 1 1 142 THR H 7.529 . 8.24 0.62 2.5147e-01 27631 1 1 1 1 142 THR N 118.857 . 115.42 4.75 4.6932e-01 27631 1 1 1 1 143 THR C 173.575 . 174.54 1.76 5.8349e-01 27631 1 1 1 1 143 THR CA 51.024 A 62.22 2.59 1.5408e-05 27631 1 1 1 1 143 THR CB 67.317 . 69.73 1.63 1.3877e-01 27631 1 1 1 1 143 THR H 6.834 . 8.24 0.62 2.3345e-02 27631 1 1 1 1 143 THR N 120.412 . 115.42 4.75 2.9328e-01 27631 1 1 1 1 163 THR C 174.549 . 174.54 1.76 9.9592e-01 27631 1 1 1 1 163 THR CA 51.058 A 62.22 2.59 1.6351e-05 27631 1 1 1 1 163 THR CB 69.144 . 69.73 1.63 7.1921e-01 27631 1 1 1 1 163 THR H 7.719 . 8.24 0.62 4.0073e-01 27631 1 1 1 1 163 THR N 125.191 . 115.42 4.75 3.9681e-02 27631 1 1 1 1 266 LEU CA 66.572 A 55.62 2.13 2.7214e-07 27631 1 1 1 1 266 LEU CB 41.289 . 42.31 1.88 5.8707e-01 27631 1 1 1 1 266 LEU CD1 26.300 . 24.72 1.59 3.2036e-01 27631 1 1 1 1 266 LEU CD2 23.575 . 24.05 1.7 7.7993e-01 27631 1 1 1 1 266 LEU H 7.980 . 8.23 0.65 7.0052e-01 27631 1 1 1 1 266 LEU HD11 0.939 . 0.75 0.28 4.9968e-01 27631 1 1 1 1 266 LEU HD12 0.939 . 0.75 0.28 4.9968e-01 27631 1 1 1 1 266 LEU HD13 0.939 . 0.75 0.28 4.9968e-01 27631 1 1 1 1 266 LEU HD21 1.059 . 0.73 0.29 2.5659e-01 27631 1 1 1 1 266 LEU HD22 1.059 . 0.73 0.29 2.5659e-01 27631 1 1 1 1 266 LEU HD23 1.059 . 0.73 0.29 2.5659e-01 27631 1 1 1 1 266 LEU N 122.199 . 121.86 3.9 9.3073e-01 27631 1 1 1 1 268 LYS CA 64.752 A 56.95 2.2 3.9059e-04 27631 1 1 1 1 268 LYS CB 33.132 . 32.79 1.78 8.4764e-01 27631 1 1 1 1 268 LYS H 7.197 . 8.19 0.6 9.7924e-02 27631 1 1 1 1 268 LYS N 114.781 . 121.05 3.77 9.6340e-02 27631 1 1 1 1 275 GLU CA 64.960 A 57.32 2.09 2.5668e-04 27631 1 1 1 1 275 GLU CB 29.736 . 30.01 1.72 8.7343e-01 27631 1 1 1 1 275 GLU H 7.430 . 8.33 0.59 1.2715e-01 27631 1 1 1 1 275 GLU N 127.202 . 120.67 3.48 6.0517e-02 27631 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 46 GLU PRO 0.44 27631 1 1 1 1 46 GLU VAL 0.41 27631 1 1 1 1 46 GLU CYS 0.1 27631 1 1 1 1 46 GLU ILE 0.01 27631 1 1 1 1 46 GLU TRP 0.01 27631 1 1 1 1 142 THR PRO 0.98 27631 1 1 1 1 143 THR PRO 0.98 27631 1 1 1 1 163 THR PRO 0.76 27631 1 1 1 1 163 THR THR 0.13 27631 1 1 1 1 163 THR CYS 0.06 27631 1 1 1 1 163 THR GLY 0.03 27631 1 1 1 1 266 LEU CYS 0.91 27631 1 1 1 1 266 LEU GLY 0.08 27631 1 1 1 1 268 LYS VAL 0.57 27631 1 1 1 1 268 LYS PRO 0.28 27631 1 1 1 1 268 LYS CYS 0.12 27631 1 1 1 1 275 GLU ILE 0.34 27631 1 1 1 1 275 GLU VAL 0.26 27631 1 1 1 1 275 GLU CYS 0.18 27631 1 1 1 1 275 GLU PRO 0.17 27631 1 1 1 1 275 GLU TRP 0.02 27631 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 27631 _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 27631 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 27631 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 27631 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 27631 _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_