data_AVS_bmrb_pdb_report_15485 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15485 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15485 1 1 1 1 49 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15485 1 1 1 1 60 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15485 1 1 1 1 74 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15485 1 1 1 1 84 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15485 1 1 1 1 92 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15485 1 1 1 1 97 VAL Anomalous Consistent Consistent Anomalous Consistent Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15485 1 1 1 1 49 ASN CA 54.550 . 53.43 1.94 5.6372e-01 15485 1 1 1 1 49 ASN CB 35.917 . 38.66 1.78 1.2331e-01 15485 1 1 1 1 49 ASN H 8.599 . 8.37 0.65 7.2461e-01 15485 1 1 1 1 49 ASN HA 4.302 . 4.7 0.39 3.0749e-01 15485 1 1 1 1 49 ASN HB2 2.774 . 2.8 0.34 9.3904e-01 15485 1 1 1 1 49 ASN HB3 2.835 . 2.78 0.34 8.7149e-01 15485 1 1 1 1 49 ASN HD21 6.688 . 7.27 0.52 2.6304e-01 15485 1 1 1 1 49 ASN HD22 7.297 . 7.2 0.52 8.5202e-01 15485 1 1 1 1 49 ASN N 113.807 . 119.13 4.42 2.2847e-01 15485 1 1 1 1 49 ASN ND2 102.902 M 112.83 2.6 1.3429e-04 15485 1 1 1 1 60 GLU CA 54.519 . 57.42 2.19 1.8528e-01 15485 1 1 1 1 60 GLU CB 30.861 . 30.07 1.84 6.6727e-01 15485 1 1 1 1 60 GLU CG 34.367 . 36.01 1.51 2.7656e-01 15485 1 1 1 1 60 GLU H 7.427 . 8.34 0.61 1.3447e-01 15485 1 1 1 1 60 GLU HA 4.423 . 4.26 0.43 7.0464e-01 15485 1 1 1 1 60 GLU HB2 1.825 . 2.04 0.22 3.2843e-01 15485 1 1 1 1 60 GLU HB3 1.825 . 2.04 0.23 3.4990e-01 15485 1 1 1 1 60 GLU HG2 1.894 . 2.31 0.21 4.7597e-02 15485 1 1 1 1 60 GLU HG3 2.060 . 2.31 0.21 2.3386e-01 15485 1 1 1 1 60 GLU N 109.101 M 120.68 3.68 1.6526e-03 15485 1 1 1 1 74 GLU CB 29.604 . 30.07 1.84 8.0007e-01 15485 1 1 1 1 74 GLU CG 34.663 . 36.01 1.51 3.7236e-01 15485 1 1 1 1 74 GLU H 8.581 . 8.34 0.61 6.9278e-01 15485 1 1 1 1 74 GLU HB2 1.902 . 2.04 0.22 5.3048e-01 15485 1 1 1 1 74 GLU HB3 2.209 . 2.04 0.23 4.6247e-01 15485 1 1 1 1 74 GLU HG2 2.033 . 2.31 0.21 1.8715e-01 15485 1 1 1 1 74 GLU HG3 2.167 . 2.31 0.21 4.9590e-01 15485 1 1 1 1 74 GLU N 108.602 M 120.68 3.68 1.0305e-03 15485 1 1 1 1 84 GLU CA 55.790 . 57.42 2.19 4.5670e-01 15485 1 1 1 1 84 GLU CB 29.467 . 30.07 1.84 7.4313e-01 15485 1 1 1 1 84 GLU CG 34.848 . 36.01 1.51 4.4158e-01 15485 1 1 1 1 84 GLU H 7.914 . 8.34 0.61 4.8495e-01 15485 1 1 1 1 84 GLU HA 4.404 . 4.26 0.43 7.3771e-01 15485 1 1 1 1 84 GLU HB2 1.916 . 2.04 0.22 5.7300e-01 15485 1 1 1 1 84 GLU HB3 2.205 . 2.04 0.23 4.7313e-01 15485 1 1 1 1 84 GLU HG2 2.324 . 2.31 0.21 9.4685e-01 15485 1 1 1 1 84 GLU HG3 2.430 . 2.31 0.21 5.6771e-01 15485 1 1 1 1 84 GLU N 108.503 M 120.68 3.68 9.3641e-04 15485 1 1 1 1 92 ASN CA 52.762 . 53.43 1.94 7.3060e-01 15485 1 1 1 1 92 ASN CB 35.931 . 38.66 1.78 1.2524e-01 15485 1 1 1 1 92 ASN H 8.473 . 8.37 0.65 8.7409e-01 15485 1 1 1 1 92 ASN HA 4.046 . 4.7 0.39 9.3558e-02 15485 1 1 1 1 92 ASN HB2 2.907 . 2.8 0.34 7.5298e-01 15485 1 1 1 1 92 ASN HB3 3.032 . 2.78 0.34 4.5859e-01 15485 1 1 1 1 92 ASN HD21 6.796 . 7.27 0.52 3.6201e-01 15485 1 1 1 1 92 ASN HD22 7.438 . 7.2 0.52 6.4717e-01 15485 1 1 1 1 92 ASN N 101.712 M 119.13 4.42 8.1236e-05 15485 1 1 1 1 92 ASN ND2 107.288 . 112.83 2.6 3.3045e-02 15485 1 1 1 1 97 VAL CA 59.831 . 62.48 3.04 3.8355e-01 15485 1 1 1 1 97 VAL CB 31.604 . 32.66 1.91 5.8035e-01 15485 1 1 1 1 97 VAL CG1 22.214 . 21.38 1.53 5.8569e-01 15485 1 1 1 1 97 VAL CG2 18.677 . 21.31 1.76 1.3465e-01 15485 1 1 1 1 97 VAL H 11.072 M 8.29 0.71 8.9172e-05 15485 1 1 1 1 97 VAL HA 4.622 . 4.16 0.57 4.1764e-01 15485 1 1 1 1 97 VAL HB 2.230 . 1.99 0.33 4.6706e-01 15485 1 1 1 1 97 VAL HG1 0.848 . 0.84 0.27 9.7636e-01 15485 1 1 1 1 97 VAL HG2 0.989 . 0.83 0.29 5.8350e-01 15485 1 1 1 1 97 VAL N 124.608 . 121.02 4.96 4.6944e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15485 1 1 1 1 49 ASN GLU 0.28 15485 1 1 1 1 49 ASN MET 0.2 15485 1 1 1 1 49 ASN ASN 0.17 15485 1 1 1 1 49 ASN LYS 0.1 15485 1 1 1 1 49 ASN TYR 0.09 15485 1 1 1 1 49 ASN GLN 0.05 15485 1 1 1 1 49 ASN PHE 0.03 15485 1 1 1 1 49 ASN ILE 0.01 15485 1 1 1 1 49 ASN ASP 0.01 15485 1 1 1 1 49 ASN HIS 0.01 15485 1 1 1 1 60 GLU MET 0.34 15485 1 1 1 1 60 GLU GLN 0.29 15485 1 1 1 1 60 GLU GLU 0.19 15485 1 1 1 1 60 GLU LYS 0.14 15485 1 1 1 1 74 GLU GLN 0.3 15485 1 1 1 1 74 GLU GLU 0.29 15485 1 1 1 1 74 GLU LYS 0.23 15485 1 1 1 1 74 GLU MET 0.07 15485 1 1 1 1 74 GLU ILE 0.05 15485 1 1 1 1 74 GLU ARG 0.01 15485 1 1 1 1 84 GLU GLN 0.29 15485 1 1 1 1 84 GLU GLU 0.29 15485 1 1 1 1 84 GLU LYS 0.26 15485 1 1 1 1 84 GLU MET 0.1 15485 1 1 1 1 84 GLU ARG 0.02 15485 1 1 1 1 84 GLU ILE 0.01 15485 1 1 1 1 92 ASN ASN 0.41 15485 1 1 1 1 92 ASN MET 0.19 15485 1 1 1 1 92 ASN GLU 0.14 15485 1 1 1 1 92 ASN LYS 0.07 15485 1 1 1 1 92 ASN TYR 0.06 15485 1 1 1 1 92 ASN GLN 0.03 15485 1 1 1 1 92 ASN PHE 0.02 15485 1 1 1 1 92 ASN ASP 0.01 15485 1 1 1 1 97 VAL VAL 0.98 15485 1 1 1 1 97 VAL ALA 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15485 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 15485 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 15485 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15485 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15485 _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_