data_AVS_bmrb_pdb_report_15128 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15128 _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 6 GLN Anomalous Indeterminable Consistent Consistent Anomalous Consistent . . 15128 1 1 1 1 20 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15128 1 1 1 1 76 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15128 1 1 1 1 79 SER Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15128 1 1 1 1 88 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15128 1 1 1 1 96 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15128 1 1 1 1 97 PRO Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 15128 1 1 1 1 99 PRO Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 15128 1 1 1 1 138 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15128 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 6 GLN C 168.309 A 176.39 1.96 3.7404e-05 15128 1 1 1 1 6 GLN H 8.513 . 8.22 0.62 6.3651e-01 15128 1 1 1 1 6 GLN HA 4.249 . 4.28 0.44 9.4383e-01 15128 1 1 1 1 6 GLN HB2 2.017 . 2.05 0.28 9.0618e-01 15128 1 1 1 1 6 GLN HB3 2.227 . 2.04 0.29 5.1904e-01 15128 1 1 1 1 6 GLN N 121.453 . 119.92 4.01 7.0224e-01 15128 1 1 1 1 20 GLN C 170.097 A 176.39 1.96 1.3241e-03 15128 1 1 1 1 20 GLN CA 56.127 . 56.62 2.19 8.2189e-01 15128 1 1 1 1 20 GLN H 7.225 . 8.22 0.62 1.0853e-01 15128 1 1 1 1 20 GLN HA 4.095 . 4.28 0.44 6.7415e-01 15128 1 1 1 1 20 GLN HB2 2.003 . 2.05 0.28 8.6670e-01 15128 1 1 1 1 20 GLN HB3 2.136 . 2.04 0.29 7.4062e-01 15128 1 1 1 1 20 GLN HE21 6.978 . 7.17 0.46 6.7639e-01 15128 1 1 1 1 20 GLN HE22 6.627 . 7.07 0.49 3.6595e-01 15128 1 1 1 1 20 GLN N 113.233 . 119.92 4.01 9.5399e-02 15128 1 1 1 1 20 GLN NE2 109.612 . 111.81 2.2 3.1775e-01 15128 1 1 1 1 76 GLN C 169.860 A 176.39 1.96 8.6338e-04 15128 1 1 1 1 76 GLN CA 54.667 . 56.62 2.19 3.7251e-01 15128 1 1 1 1 76 GLN CB 28.778 . 29.1 1.97 8.7016e-01 15128 1 1 1 1 76 GLN CG 34.346 . 33.72 1.1 5.6929e-01 15128 1 1 1 1 76 GLN H 8.023 . 8.22 0.62 7.5068e-01 15128 1 1 1 1 76 GLN HA 4.478 . 4.28 0.44 6.5271e-01 15128 1 1 1 1 76 GLN HB2 1.729 . 2.05 0.28 2.5162e-01 15128 1 1 1 1 76 GLN HB3 2.251 . 2.04 0.29 4.6687e-01 15128 1 1 1 1 76 GLN HG2 2.255 . 2.32 0.29 8.2265e-01 15128 1 1 1 1 76 GLN HG3 2.255 . 2.32 0.29 8.2265e-01 15128 1 1 1 1 76 GLN N 119.438 . 119.92 4.01 9.0433e-01 15128 1 1 1 1 79 SER C 182.485 A 174.53 1.73 4.2602e-06 15128 1 1 1 1 79 SER CA 54.336 . 58.57 2.12 4.5807e-02 15128 1 1 1 1 79 SER CB 64.515 . 63.8 1.57 6.4881e-01 15128 1 1 1 1 79 SER H 8.288 . 8.29 0.62 9.9743e-01 15128 1 1 1 1 79 SER HA 4.762 . 4.51 0.43 5.5784e-01 15128 1 1 1 1 79 SER HB2 3.688 . 3.88 0.29 5.0793e-01 15128 1 1 1 1 79 SER HB3 3.688 . 3.87 0.31 5.5714e-01 15128 1 1 1 1 79 SER N 113.632 . 116.3 3.95 4.9939e-01 15128 1 1 1 1 88 TRP C 170.488 A 176.1 1.89 2.9847e-03 15128 1 1 1 1 88 TRP CA 56.903 . 57.71 2.65 7.6073e-01 15128 1 1 1 1 88 TRP CB 30.373 . 30.16 2.19 9.2252e-01 15128 1 1 1 1 88 TRP CD1 127.186 . 126.16 1.76 5.5992e-01 15128 1 1 1 1 88 TRP CE3 121.279 . 120.38 1.5 5.4895e-01 15128 1 1 1 1 88 TRP CZ2 114.920 . 114.19 1.09 5.0303e-01 15128 1 1 1 1 88 TRP CZ3 122.291 . 121.57 1.76 6.8206e-01 15128 1 1 1 1 88 TRP CH2 125.455 . 123.75 1.34 2.0324e-01 15128 1 1 1 1 88 TRP H 7.645 . 8.35 0.84 4.0131e-01 15128 1 1 1 1 88 TRP HA 4.765 . 4.74 0.55 9.6375e-01 15128 1 1 1 1 88 TRP HB2 3.420 . 3.22 0.36 5.7851e-01 15128 1 1 1 1 88 TRP HB3 3.228 . 3.18 0.36 8.9393e-01 15128 1 1 1 1 88 TRP HD1 7.215 . 7.16 0.34 8.7149e-01 15128 1 1 1 1 88 TRP HE1 10.118 . 10.13 0.53 9.8194e-01 15128 1 1 1 1 88 TRP HE3 7.686 . 7.17 1.03 6.1639e-01 15128 1 1 1 1 88 TRP HZ2 7.496 . 7.14 0.89 6.8916e-01 15128 1 1 1 1 88 TRP HZ3 7.074 . 6.68 1.02 6.9929e-01 15128 1 1 1 1 88 TRP HH2 7.090 . 6.82 0.94 7.7393e-01 15128 1 1 1 1 88 TRP N 119.182 . 121.87 4.58 5.5727e-01 15128 1 1 1 1 88 TRP NE1 128.448 . 129.48 2.56 6.8686e-01 15128 1 1 1 1 96 GLU C 166.914 A 176.93 2.11 2.0654e-06 15128 1 1 1 1 96 GLU CA 53.618 . 57.42 2.19 8.2551e-02 15128 1 1 1 1 96 GLU CB 30.409 . 30.07 1.84 8.5383e-01 15128 1 1 1 1 96 GLU CG 36.450 . 36.01 1.51 7.7075e-01 15128 1 1 1 1 96 GLU H 7.711 . 8.34 0.61 3.0247e-01 15128 1 1 1 1 96 GLU HA 4.621 . 4.26 0.43 4.0117e-01 15128 1 1 1 1 96 GLU HB2 1.804 . 2.04 0.22 2.8339e-01 15128 1 1 1 1 96 GLU HB3 1.984 . 2.04 0.23 8.0763e-01 15128 1 1 1 1 96 GLU HG2 2.125 . 2.31 0.21 3.7834e-01 15128 1 1 1 1 96 GLU HG3 2.125 . 2.31 0.21 3.7834e-01 15128 1 1 1 1 96 GLU N 116.302 . 120.68 3.68 2.3417e-01 15128 1 1 1 1 97 PRO C 170.787 A 176.7 1.69 4.6733e-04 15128 1 1 1 1 97 PRO CA 63.607 . 63.3 1.64 8.5151e-01 15128 1 1 1 1 97 PRO CB 32.891 . 31.81 1.54 4.8271e-01 15128 1 1 1 1 97 PRO CG 27.920 . 27.14 1.18 5.0860e-01 15128 1 1 1 1 97 PRO CD 50.326 . 50.28 1.04 9.6472e-01 15128 1 1 1 1 97 PRO HA 4.503 . 4.41 0.36 7.9615e-01 15128 1 1 1 1 97 PRO HB2 1.837 . 2.05 0.39 5.8496e-01 15128 1 1 1 1 97 PRO HB3 1.997 . 2.05 0.39 8.9190e-01 15128 1 1 1 1 97 PRO HG2 1.837 . 1.93 0.36 7.9615e-01 15128 1 1 1 1 97 PRO HG3 2.037 . 1.92 0.37 7.5184e-01 15128 1 1 1 1 97 PRO HD2 3.541 . 3.64 0.36 7.8332e-01 15128 1 1 1 1 97 PRO HD3 3.601 . 3.63 0.4 9.4220e-01 15128 1 1 1 1 99 PRO C 170.088 A 176.7 1.69 9.1374e-05 15128 1 1 1 1 99 PRO CA 65.750 . 63.3 1.64 1.3520e-01 15128 1 1 1 1 99 PRO CB 32.487 . 31.81 1.54 6.6022e-01 15128 1 1 1 1 99 PRO CD 50.674 . 50.28 1.04 7.0480e-01 15128 1 1 1 1 99 PRO HA 4.039 . 4.41 0.36 3.0275e-01 15128 1 1 1 1 99 PRO HB2 1.909 . 2.05 0.39 7.1770e-01 15128 1 1 1 1 99 PRO HB3 2.425 . 2.05 0.39 3.3628e-01 15128 1 1 1 1 99 PRO HD2 3.760 . 3.64 0.36 7.3888e-01 15128 1 1 1 1 99 PRO HD3 3.760 . 3.63 0.4 7.4518e-01 15128 1 1 1 1 138 ARG C 168.099 A 176.49 2.16 1.0245e-04 15128 1 1 1 1 138 ARG CA 53.780 . 56.95 2.41 1.8839e-01 15128 1 1 1 1 138 ARG CB 31.456 . 30.66 1.77 6.5291e-01 15128 1 1 1 1 138 ARG H 8.402 . 8.24 0.6 7.8716e-01 15128 1 1 1 1 138 ARG HA 4.695 . 4.27 0.44 3.3409e-01 15128 1 1 1 1 138 ARG HB2 1.646 . 1.79 0.28 6.0705e-01 15128 1 1 1 1 138 ARG HB3 1.790 . 1.78 0.28 9.7151e-01 15128 1 1 1 1 138 ARG HG2 1.611 . 1.58 0.27 9.0859e-01 15128 1 1 1 1 138 ARG HG3 1.611 . 1.58 0.27 9.0859e-01 15128 1 1 1 1 138 ARG N 121.283 . 120.61 3.9 8.6299e-01 15128 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 20 GLN MET 0.12 15128 1 1 1 1 20 GLN LEU 0.1 15128 1 1 1 1 20 GLN GLN 0.1 15128 1 1 1 1 20 GLN LYS 0.09 15128 1 1 1 1 20 GLN ARG 0.09 15128 1 1 1 1 20 GLN CYS 0.08 15128 1 1 1 1 20 GLN GLU 0.06 15128 1 1 1 1 20 GLN TRP 0.06 15128 1 1 1 1 20 GLN TYR 0.05 15128 1 1 1 1 20 GLN ASP 0.05 15128 1 1 1 1 20 GLN PHE 0.05 15128 1 1 1 1 20 GLN SER 0.03 15128 1 1 1 1 20 GLN ASN 0.02 15128 1 1 1 1 20 GLN ALA 0.01 15128 1 1 1 1 76 GLN GLN 0.27 15128 1 1 1 1 76 GLN CYS 0.26 15128 1 1 1 1 76 GLN LYS 0.24 15128 1 1 1 1 76 GLN GLU 0.12 15128 1 1 1 1 76 GLN MET 0.04 15128 1 1 1 1 76 GLN ARG 0.04 15128 1 1 1 1 79 SER SER 0.98 15128 1 1 1 1 79 SER CYS 0.01 15128 1 1 1 1 88 TRP TRP 0.5 15128 1 1 1 1 88 TRP CYS 0.49 15128 1 1 1 1 96 GLU CYS 0.43 15128 1 1 1 1 96 GLU GLU 0.31 15128 1 1 1 1 96 GLU MET 0.14 15128 1 1 1 1 96 GLU LYS 0.05 15128 1 1 1 1 96 GLU GLN 0.03 15128 1 1 1 1 96 GLU ILE 0.01 15128 1 1 1 1 97 PRO PRO 0.82 15128 1 1 1 1 97 PRO CYS 0.17 15128 1 1 1 1 99 PRO PRO 0.77 15128 1 1 1 1 99 PRO CYS 0.22 15128 1 1 1 1 138 ARG MET 0.22 15128 1 1 1 1 138 ARG CYS 0.21 15128 1 1 1 1 138 ARG ARG 0.15 15128 1 1 1 1 138 ARG LYS 0.12 15128 1 1 1 1 138 ARG TRP 0.11 15128 1 1 1 1 138 ARG GLN 0.08 15128 1 1 1 1 138 ARG GLU 0.07 15128 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15128 _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 15128 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15128 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15128 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15128 _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_