data_AVS_bmrb_pdb_report_19766 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19766 _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 33 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19766 1 1 1 1 105 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19766 1 1 1 3 22 GLY Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 19766 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 33 GLU C 174.223 . 176.87 1.95 1.7464e-01 19766 1 1 1 1 33 GLU CA 59.640 . 57.32 2.09 2.6698e-01 19766 1 1 1 1 33 GLU CB 27.831 . 30.01 1.72 2.0520e-01 19766 1 1 1 1 33 GLU CG 34.426 . 36.11 1.19 1.5703e-01 19766 1 1 1 1 33 GLU H 6.964 . 8.33 0.59 2.0599e-02 19766 1 1 1 1 33 GLU HA 2.157 S 4.25 0.41 3.3101e-07 19766 1 1 1 1 33 GLU HB2 0.589 S 2.02 0.21 9.4733e-12 19766 1 1 1 1 33 GLU HB3 0.589 S 1.99 0.23 1.1199e-09 19766 1 1 1 1 33 GLU HG2 0.336 A 2.27 0.21 3.2757e-20 19766 1 1 1 1 33 GLU HG3 0.336 A 2.25 0.22 3.3188e-18 19766 1 1 1 1 33 GLU N 121.234 . 120.67 3.48 8.7125e-01 19766 1 1 1 1 105 GLU C 178.399 . 176.87 1.95 4.3298e-01 19766 1 1 1 1 105 GLU CA 58.265 . 57.32 2.09 6.5116e-01 19766 1 1 1 1 105 GLU CB 29.773 . 30.01 1.72 8.9041e-01 19766 1 1 1 1 105 GLU CG 32.614 . 36.11 1.19 3.3053e-03 19766 1 1 1 1 105 GLU H 7.225 . 8.33 0.59 6.1085e-02 19766 1 1 1 1 105 GLU HA 3.900 . 4.25 0.41 3.9329e-01 19766 1 1 1 1 105 GLU HB2 1.583 . 2.02 0.21 3.7438e-02 19766 1 1 1 1 105 GLU HB3 1.384 . 1.99 0.23 8.4191e-03 19766 1 1 1 1 105 GLU HG2 1.178 S 2.27 0.21 1.9929e-07 19766 1 1 1 1 105 GLU HG3 0.297 A 2.25 0.22 6.8520e-19 19766 1 1 1 1 105 GLU N 118.569 . 120.67 3.48 5.4602e-01 19766 1 1 1 3 22 GLY CA 44.313 . 45.35 1.34 4.3900e-01 19766 1 1 1 3 22 GLY H 4.587 S 8.33 0.65 8.4884e-09 19766 1 1 1 3 22 GLY HA2 0.557 A 3.97 0.37 2.8535e-20 19766 1 1 1 3 22 GLY HA3 3.144 . 3.9 0.37 4.1028e-02 19766 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 33 GLU GLN 0.32 19766 1 1 1 1 33 GLU LYS 0.26 19766 1 1 1 1 33 GLU GLU 0.15 19766 1 1 1 1 33 GLU ILE 0.14 19766 1 1 1 1 33 GLU ARG 0.09 19766 1 1 1 1 105 GLU LYS 0.42 19766 1 1 1 1 105 GLU GLN 0.31 19766 1 1 1 1 105 GLU MET 0.18 19766 1 1 1 1 105 GLU ARG 0.05 19766 1 1 1 1 105 GLU GLU 0.01 19766 1 1 1 3 22 GLY GLY 0.43 19766 1 1 1 3 22 GLY LEU 0.28 19766 1 1 1 3 22 GLY ARG 0.18 19766 1 1 1 3 22 GLY PHE 0.03 19766 1 1 1 3 22 GLY ASP 0.03 19766 1 1 1 3 22 GLY TYR 0.02 19766 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19766 _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 19766 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19766 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19766 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19766 _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_