data_AVS_bmrb_pdb_report_16992 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16992 _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 59 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16992 1 1 1 1 91 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16992 1 1 1 1 161 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16992 1 1 1 1 192 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16992 1 1 1 1 196 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16992 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 59 THR C 177.465 . 174.6 1.8 1.1146e-01 16992 1 1 1 1 59 THR CA 69.516 A 62.15 2.72 6.7672e-03 16992 1 1 1 1 59 THR CG2 21.696 . 21.44 1.39 8.5388e-01 16992 1 1 1 1 59 THR H 8.616 . 8.27 0.62 5.7680e-01 16992 1 1 1 1 59 THR HA 3.849 . 4.48 0.5 2.0695e-01 16992 1 1 1 1 59 THR HB 3.133 . 4.17 0.37 5.0676e-03 16992 1 1 1 1 59 THR HG21 0.927 . 1.16 0.28 4.0533e-01 16992 1 1 1 1 59 THR HG22 0.927 . 1.16 0.28 4.0533e-01 16992 1 1 1 1 59 THR HG23 0.927 . 1.16 0.28 4.0533e-01 16992 1 1 1 1 59 THR N 115.852 . 115.7 5.05 9.7599e-01 16992 1 1 1 1 91 ARG C 178.600 . 176.49 2.16 3.2864e-01 16992 1 1 1 1 91 ARG CA 59.822 . 56.95 2.41 2.3338e-01 16992 1 1 1 1 91 ARG CB 31.718 . 30.66 1.77 5.5001e-01 16992 1 1 1 1 91 ARG CG 28.219 . 27.31 1.65 5.8170e-01 16992 1 1 1 1 91 ARG CD 45.723 A 43.1 1.1 1.7100e-02 16992 1 1 1 1 91 ARG H 8.945 . 8.24 0.6 2.3999e-01 16992 1 1 1 1 91 ARG HA 3.829 . 4.27 0.44 3.1621e-01 16992 1 1 1 1 91 ARG HB2 1.766 . 1.79 0.28 9.3169e-01 16992 1 1 1 1 91 ARG HB3 1.766 . 1.78 0.28 9.6012e-01 16992 1 1 1 1 91 ARG HG2 1.796 . 1.58 0.27 4.2371e-01 16992 1 1 1 1 91 ARG HG3 1.796 . 1.58 0.27 4.2371e-01 16992 1 1 1 1 91 ARG HD2 3.094 . 3.13 0.23 8.7562e-01 16992 1 1 1 1 91 ARG HD3 2.956 . 3.13 0.22 4.2900e-01 16992 1 1 1 1 91 ARG N 121.287 . 120.61 3.9 8.6219e-01 16992 1 1 1 1 161 ARG C 179.927 . 176.49 2.16 1.1156e-01 16992 1 1 1 1 161 ARG CA 57.597 . 56.95 2.41 7.8834e-01 16992 1 1 1 1 161 ARG CB 31.230 . 30.66 1.77 7.4743e-01 16992 1 1 1 1 161 ARG CG 27.422 . 27.31 1.65 9.4588e-01 16992 1 1 1 1 161 ARG CD 43.745 . 43.1 1.1 5.5763e-01 16992 1 1 1 1 161 ARG H 7.171 . 8.24 0.6 7.4804e-02 16992 1 1 1 1 161 ARG HA 3.683 . 4.27 0.44 1.8217e-01 16992 1 1 1 1 161 ARG HB2 0.527 S 1.79 0.28 6.4610e-06 16992 1 1 1 1 161 ARG HB3 -0.857 A 1.78 0.28 4.6039e-21 16992 1 1 1 1 161 ARG HG2 0.869 . 1.58 0.27 8.4551e-03 16992 1 1 1 1 161 ARG HG3 0.714 . 1.58 0.27 1.3394e-03 16992 1 1 1 1 161 ARG HD2 2.122 S 3.13 0.23 1.1727e-05 16992 1 1 1 1 161 ARG HD3 1.736 S 3.13 0.22 2.3525e-10 16992 1 1 1 1 161 ARG N 118.303 . 120.61 3.9 5.5416e-01 16992 1 1 1 1 192 VAL CA 69.952 A 62.48 3.04 1.3975e-02 16992 1 1 1 1 192 VAL CB 29.392 . 32.66 1.91 8.7082e-02 16992 1 1 1 1 192 VAL CG1 22.749 . 21.38 1.53 3.7091e-01 16992 1 1 1 1 192 VAL CG2 26.427 . 21.31 1.76 3.6446e-03 16992 1 1 1 1 192 VAL H 7.348 . 8.29 0.71 1.8459e-01 16992 1 1 1 1 192 VAL HA 3.014 . 4.16 0.57 4.4376e-02 16992 1 1 1 1 192 VAL HB 1.853 . 1.99 0.33 6.7803e-01 16992 1 1 1 1 192 VAL HG11 0.552 . 0.84 0.27 2.8612e-01 16992 1 1 1 1 192 VAL HG12 0.552 . 0.84 0.27 2.8612e-01 16992 1 1 1 1 192 VAL HG13 0.552 . 0.84 0.27 2.8612e-01 16992 1 1 1 1 192 VAL HG21 0.963 . 0.83 0.29 6.4651e-01 16992 1 1 1 1 192 VAL HG22 0.963 . 0.83 0.29 6.4651e-01 16992 1 1 1 1 192 VAL HG23 0.963 . 0.83 0.29 6.4651e-01 16992 1 1 1 1 192 VAL N 119.768 . 121.02 4.96 8.0072e-01 16992 1 1 1 1 196 TYR C 180.631 A 175.39 1.89 5.5539e-03 16992 1 1 1 1 196 TYR CA 62.749 . 58.02 2.64 7.3247e-02 16992 1 1 1 1 196 TYR CB 37.548 . 39.16 2.23 4.6976e-01 16992 1 1 1 1 196 TYR H 8.069 . 8.37 0.75 6.8817e-01 16992 1 1 1 1 196 TYR HA 4.047 . 4.63 0.56 2.9784e-01 16992 1 1 1 1 196 TYR HB2 3.050 . 2.91 0.37 7.0515e-01 16992 1 1 1 1 196 TYR HB3 2.899 . 2.91 0.37 9.7628e-01 16992 1 1 1 1 196 TYR N 117.328 . 120.79 4.69 4.6041e-01 16992 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 59 THR VAL 0.72 16992 1 1 1 1 59 THR THR 0.26 16992 1 1 1 1 91 ARG GLY 0.48 16992 1 1 1 1 91 ARG CYS 0.45 16992 1 1 1 1 91 ARG ARG 0.06 16992 1 1 1 1 161 ARG ARG 0.41 16992 1 1 1 1 161 ARG CYS 0.38 16992 1 1 1 1 161 ARG GLY 0.11 16992 1 1 1 1 161 ARG LYS 0.09 16992 1 1 1 1 192 VAL VAL 0.54 16992 1 1 1 1 192 VAL CYS 0.45 16992 1 1 1 1 196 TYR ILE 0.56 16992 1 1 1 1 196 TYR CYS 0.18 16992 1 1 1 1 196 TYR TYR 0.1 16992 1 1 1 1 196 TYR PHE 0.08 16992 1 1 1 1 196 TYR VAL 0.02 16992 1 1 1 1 196 TYR GLU 0.02 16992 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16992 _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 16992 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16992 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16992 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16992 _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_