data_AVS_bmrb_pdb_report_19855 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19855 _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 2 SER Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 5 MET Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 19855 1 1 1 1 7 THR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19855 1 1 1 1 10 GLU Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 19855 1 1 1 1 13 ILE Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 14 CYS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 16 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 21 GLU Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 19855 1 1 1 1 22 GLU Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 19855 1 1 1 1 30 GLN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 32 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 33 ASN Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 19855 1 1 1 1 35 PHE Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 40 TYR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 41 ASP Anomalous Suspicious Consistent Consistent Anomalous Anomalous . . 19855 1 1 1 1 42 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19855 1 1 1 1 43 GLU Anomalous Suspicious Consistent Consistent Suspicious Anomalous . . 19855 1 1 1 1 44 TRP Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 19855 1 1 1 1 45 TYR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 46 PRO Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 47 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 48 GLU Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 19855 1 1 1 1 49 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 50 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 51 THR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19855 1 1 1 1 52 ASP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 54 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 55 ASP Anomalous Consistent Consistent Consistent Suspicious Anomalous . . 19855 1 1 1 1 56 ASP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 57 VAL Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 58 PHE Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 19855 1 1 1 1 59 ASP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 60 PRO Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 61 ASP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 62 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 63 ASP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 65 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 66 VAL Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 67 VAL Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 68 PHE Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 69 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 70 THR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19855 1 1 1 1 71 GLN Anomalous Suspicious Consistent Consistent Suspicious Anomalous . . 19855 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 19855 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 2 SER C 174.804 . 174.62 1.72 9.1481e-01 19855 1 1 1 1 2 SER CB 63.961 . 63.8 1.48 9.1337e-01 19855 1 1 1 1 2 SER H 8.157 . 8.28 0.59 8.3486e-01 19855 1 1 1 1 2 SER HB2 3.850 . 3.88 0.25 9.0448e-01 19855 1 1 1 1 2 SER N 139.648 A 116.28 3.52 3.1660e-11 19855 1 1 1 1 5 MET C 175.910 . 176.18 2.09 8.9721e-01 19855 1 1 1 1 5 MET CB 33.199 . 32.99 2.24 9.2566e-01 19855 1 1 1 1 5 MET H 5.242 S 8.26 0.6 4.9048e-07 19855 1 1 1 1 5 MET HB2 2.117 . 2.03 0.34 7.9804e-01 19855 1 1 1 1 5 MET HG2 2.586 . 2.42 0.35 6.3530e-01 19855 1 1 1 1 5 MET N 137.109 A 120.09 3.57 1.8678e-06 19855 1 1 1 1 7 THR C 174.783 . 174.54 1.76 8.9019e-01 19855 1 1 1 1 7 THR CB 69.234 . 69.73 1.63 7.6090e-01 19855 1 1 1 1 7 THR CG2 20.308 . 21.55 1.11 2.6317e-01 19855 1 1 1 1 7 THR H 5.233 A 8.24 0.62 1.2346e-06 19855 1 1 1 1 7 THR HB 4.247 . 4.17 0.33 8.1550e-01 19855 1 1 1 1 7 THR HG21 1.194 . 1.14 0.23 8.1438e-01 19855 1 1 1 1 7 THR HG22 1.194 . 1.14 0.23 8.1438e-01 19855 1 1 1 1 7 THR HG23 1.194 . 1.14 0.23 8.1438e-01 19855 1 1 1 1 7 THR N 113.281 . 115.42 4.75 6.5248e-01 19855 1 1 1 1 10 GLU C 176.344 . 176.87 1.95 7.8736e-01 19855 1 1 1 1 10 GLU CB 30.269 . 30.01 1.72 8.8031e-01 19855 1 1 1 1 10 GLU H 5.673 S 8.33 0.59 6.6878e-06 19855 1 1 1 1 10 GLU HB2 1.937 . 2.02 0.21 6.9267e-01 19855 1 1 1 1 10 GLU N 139.844 A 120.67 3.48 3.5930e-08 19855 1 1 1 1 13 ILE C 175.997 . 175.85 1.92 9.3897e-01 19855 1 1 1 1 13 ILE CB 41.109 . 38.63 2.02 2.1974e-01 19855 1 1 1 1 13 ILE CG1 27.340 . 27.71 1.68 8.2569e-01 19855 1 1 1 1 13 ILE CG2 18.257 . 17.53 1.36 5.9295e-01 19855 1 1 1 1 13 ILE CD1 13.277 . 13.43 1.67 9.2700e-01 19855 1 1 1 1 13 ILE H 6.817 . 8.28 0.68 3.1439e-02 19855 1 1 1 1 13 ILE HG12 1.246 . 1.28 0.4 9.3226e-01 19855 1 1 1 1 13 ILE HG21 0.877 . 0.77 0.27 6.9189e-01 19855 1 1 1 1 13 ILE HG22 0.877 . 0.77 0.27 6.9189e-01 19855 1 1 1 1 13 ILE HG23 0.877 . 0.77 0.27 6.9189e-01 19855 1 1 1 1 13 ILE HD11 0.677 . 0.68 0.29 9.9175e-01 19855 1 1 1 1 13 ILE HD12 0.677 . 0.68 0.29 9.9175e-01 19855 1 1 1 1 13 ILE HD13 0.677 . 0.68 0.29 9.9175e-01 19855 1 1 1 1 13 ILE N 90.234 A 121.46 4.28 2.9690e-13 19855 1 1 1 1 14 CYS C 177.200 . 174.95 2.07 2.7706e-01 19855 1 1 1 1 14 CYS CB 33.492 . 32.49 6.01 8.6759e-01 19855 1 1 1 1 14 CYS H 8.235 . 8.39 0.67 8.1705e-01 19855 1 1 1 1 14 CYS HB2 1.804 . 2.96 0.44 8.6072e-03 19855 1 1 1 1 14 CYS N 90.625 A 120.17 4.64 1.9219e-10 19855 1 1 1 1 16 HIS C 174.638 . 175.25 1.97 7.5606e-01 19855 1 1 1 1 16 HIS CB 28.511 . 30.24 2.07 4.0357e-01 19855 1 1 1 1 16 HIS H 8.411 . 8.24 0.68 8.0145e-01 19855 1 1 1 1 16 HIS HB2 2.853 . 3.1 0.36 4.9264e-01 19855 1 1 1 1 16 HIS N 91.406 A 119.69 4 1.5382e-12 19855 1 1 1 1 21 GLU C 177.414 . 176.87 1.95 7.8026e-01 19855 1 1 1 1 21 GLU CB 30.562 . 30.01 1.72 7.4826e-01 19855 1 1 1 1 21 GLU H 5.418 S 8.33 0.59 7.9908e-07 19855 1 1 1 1 21 GLU HG2 2.280 . 2.27 0.21 9.6202e-01 19855 1 1 1 1 21 GLU N 104.297 A 120.67 3.48 2.5401e-06 19855 1 1 1 1 22 GLU C 175.998 . 176.87 1.95 6.5475e-01 19855 1 1 1 1 22 GLU CB 31.148 . 30.01 1.72 5.0821e-01 19855 1 1 1 1 22 GLU H 5.233 S 8.33 0.59 1.5280e-07 19855 1 1 1 1 22 GLU HB2 2.012 . 2.02 0.21 9.6961e-01 19855 1 1 1 1 22 GLU HB3 2.012 . 1.99 0.23 9.2380e-01 19855 1 1 1 1 22 GLU HG2 2.180 . 2.27 0.21 6.6823e-01 19855 1 1 1 1 22 GLU N 104.102 A 120.67 3.48 1.9271e-06 19855 1 1 1 1 30 GLN C 175.829 . 176.31 1.95 8.0517e-01 19855 1 1 1 1 30 GLN CB 30.562 . 29.19 1.82 4.5094e-01 19855 1 1 1 1 30 GLN H 7.892 . 8.22 0.59 5.7826e-01 19855 1 1 1 1 30 GLN HE21 7.350 . 7.24 0.45 8.0689e-01 19855 1 1 1 1 30 GLN HE22 6.780 . 7.02 0.44 5.8544e-01 19855 1 1 1 1 30 GLN N 101.563 A 119.89 3.6 3.5649e-07 19855 1 1 1 1 32 ARG C 175.924 . 176.41 2.03 8.1079e-01 19855 1 1 1 1 32 ARG CB 31.441 . 30.7 1.83 6.8554e-01 19855 1 1 1 1 32 ARG CD 44.918 . 43.16 0.88 4.5746e-02 19855 1 1 1 1 32 ARG H 7.961 . 8.24 0.61 6.4740e-01 19855 1 1 1 1 32 ARG HB2 1.673 . 1.79 0.27 6.6477e-01 19855 1 1 1 1 32 ARG N 100.391 A 120.8 3.68 2.9241e-08 19855 1 1 1 1 33 ASN C 175.488 . 175.27 1.79 9.0307e-01 19855 1 1 1 1 33 ASN CB 38.472 . 38.69 1.69 8.9736e-01 19855 1 1 1 1 33 ASN H 5.301 S 8.34 0.63 1.4084e-06 19855 1 1 1 1 33 ASN HB2 2.731 . 2.81 0.31 7.9885e-01 19855 1 1 1 1 33 ASN HD21 6.900 . 7.35 0.48 3.4850e-01 19855 1 1 1 1 33 ASN HD22 7.570 . 7.14 0.49 3.8019e-01 19855 1 1 1 1 33 ASN N 100.391 A 118.93 4.03 4.2199e-06 19855 1 1 1 1 35 PHE C 175.393 . 175.42 1.99 9.8917e-01 19855 1 1 1 1 35 PHE CB 42.281 . 39.99 2.09 2.7300e-01 19855 1 1 1 1 35 PHE H 7.746 . 8.36 0.72 3.9378e-01 19855 1 1 1 1 35 PHE HB2 3.772 . 3 0.37 3.6935e-02 19855 1 1 1 1 35 PHE N 100.195 A 120.45 4.18 1.2617e-06 19855 1 1 1 1 40 TYR CB 44.332 . 39.32 2.16 2.0321e-02 19855 1 1 1 1 40 TYR H 8.137 . 8.32 0.73 8.0206e-01 19855 1 1 1 1 40 TYR N 99.609 A 120.52 4.2 6.3977e-07 19855 1 1 1 1 41 ASP C 176.291 . 176.4 1.75 9.5034e-01 19855 1 1 1 1 41 ASP CB 51.949 A 40.88 1.62 8.3322e-12 19855 1 1 1 1 41 ASP H 8.254 . 8.31 0.58 9.2308e-01 19855 1 1 1 1 41 ASP N 99.023 A 120.65 3.86 2.1086e-08 19855 1 1 1 1 42 GLU C 176.561 . 176.87 1.95 8.7409e-01 19855 1 1 1 1 42 GLU CB 30.562 . 30.01 1.72 7.4826e-01 19855 1 1 1 1 42 GLU H 13.877 A 8.33 0.59 5.3691e-21 19855 1 1 1 1 42 GLU N 120.703 . 120.67 3.48 9.9243e-01 19855 1 1 1 1 43 GLU C 176.291 . 176.87 1.95 7.6653e-01 19855 1 1 1 1 43 GLU CB 37.300 S 30.01 1.72 2.2515e-05 19855 1 1 1 1 43 GLU H 7.716 . 8.33 0.59 2.9803e-01 19855 1 1 1 1 43 GLU HB2 2.411 . 2.02 0.21 6.2617e-02 19855 1 1 1 1 43 GLU N 98.828 A 120.67 3.48 3.4642e-10 19855 1 1 1 1 44 TRP C 179.291 . 176.12 2.01 1.1465e-01 19855 1 1 1 1 44 TRP CB 34.664 . 30.01 2.01 2.0590e-02 19855 1 1 1 1 44 TRP H 5.497 S 8.29 0.79 4.0709e-04 19855 1 1 1 1 44 TRP N 98.828 A 121.68 4.18 4.5775e-08 19855 1 1 1 1 45 TYR CB 45.504 . 39.32 2.16 4.1970e-03 19855 1 1 1 1 45 TYR H 8.597 . 8.32 0.73 7.0435e-01 19855 1 1 1 1 45 TYR N 98.633 A 120.52 4.2 1.8763e-07 19855 1 1 1 1 46 PRO C 176.789 . 176.75 1.51 9.7939e-01 19855 1 1 1 1 46 PRO CB 33.492 . 31.85 1.18 1.6407e-01 19855 1 1 1 1 46 PRO CD 51.070 . 50.32 0.99 4.4871e-01 19855 1 1 1 1 46 PRO HB2 1.870 . 2.08 0.35 5.4851e-01 19855 1 1 1 1 46 PRO HD2 3.291 . 3.65 0.35 3.0503e-01 19855 1 1 1 1 46 PRO N 98.633 A 134.16 6.62 8.0227e-08 19855 1 1 1 1 47 GLU CB 27.047 . 30.01 1.72 8.4947e-02 19855 1 1 1 1 47 GLU H 8.235 . 8.33 0.59 8.7208e-01 19855 1 1 1 1 47 GLU N 98.438 A 120.67 3.48 1.6751e-10 19855 1 1 1 1 48 GLU H 8.391 . 8.33 0.59 9.1765e-01 19855 1 1 1 1 48 GLU N 97.656 A 120.67 3.48 3.7605e-11 19855 1 1 1 1 49 LEU C 176.939 . 176.99 1.98 9.7945e-01 19855 1 1 1 1 49 LEU CB 43.160 . 42.31 1.88 6.5118e-01 19855 1 1 1 1 49 LEU CD1 24.117 . 24.72 1.59 7.0451e-01 19855 1 1 1 1 49 LEU CD2 22.359 . 24.05 1.7 3.1988e-01 19855 1 1 1 1 49 LEU H 8.215 . 8.23 0.65 9.8159e-01 19855 1 1 1 1 49 LEU HD11 0.860 . 0.75 0.28 6.9442e-01 19855 1 1 1 1 49 LEU HD12 0.860 . 0.75 0.28 6.9442e-01 19855 1 1 1 1 49 LEU HD13 0.860 . 0.75 0.28 6.9442e-01 19855 1 1 1 1 49 LEU N 97.656 A 121.86 3.9 5.4297e-10 19855 1 1 1 1 50 LEU C 177.384 . 176.99 1.98 8.4227e-01 19855 1 1 1 1 50 LEU CB 43.160 . 42.31 1.88 6.5118e-01 19855 1 1 1 1 50 LEU CD1 25.875 . 24.72 1.59 4.6758e-01 19855 1 1 1 1 50 LEU CD2 24.410 . 24.05 1.7 8.3229e-01 19855 1 1 1 1 50 LEU H 8.000 . 8.23 0.65 7.2345e-01 19855 1 1 1 1 50 LEU HB2 1.591 . 1.61 0.34 9.5544e-01 19855 1 1 1 1 50 LEU HD11 0.888 . 0.75 0.28 6.2211e-01 19855 1 1 1 1 50 LEU HD12 0.888 . 0.75 0.28 6.2211e-01 19855 1 1 1 1 50 LEU HD13 0.888 . 0.75 0.28 6.2211e-01 19855 1 1 1 1 50 LEU HD21 0.841 . 0.73 0.29 7.0190e-01 19855 1 1 1 1 50 LEU HD22 0.841 . 0.73 0.29 7.0190e-01 19855 1 1 1 1 50 LEU HD23 0.841 . 0.73 0.29 7.0190e-01 19855 1 1 1 1 50 LEU N 97.266 A 121.86 3.9 2.8605e-10 19855 1 1 1 1 51 THR C 174.158 . 174.54 1.76 8.2817e-01 19855 1 1 1 1 51 THR CB 73.922 . 69.73 1.63 1.0118e-02 19855 1 1 1 1 51 THR CG2 22.066 . 21.55 1.11 6.4203e-01 19855 1 1 1 1 51 THR H 5.184 A 8.24 0.62 8.2638e-07 19855 1 1 1 1 51 THR HB 4.239 . 4.17 0.33 8.3438e-01 19855 1 1 1 1 51 THR HG21 1.157 . 1.14 0.23 9.4108e-01 19855 1 1 1 1 51 THR HG22 1.157 . 1.14 0.23 9.4108e-01 19855 1 1 1 1 51 THR HG23 1.157 . 1.14 0.23 9.4108e-01 19855 1 1 1 1 51 THR N 114.062 . 115.42 4.75 7.7496e-01 19855 1 1 1 1 52 ASP C 176.584 . 176.4 1.75 9.1626e-01 19855 1 1 1 1 52 ASP CB 41.402 . 40.88 1.62 7.4728e-01 19855 1 1 1 1 52 ASP H 8.108 . 8.31 0.58 7.2763e-01 19855 1 1 1 1 52 ASP N 97.070 A 120.65 3.86 1.0038e-09 19855 1 1 1 1 54 GLU C 175.982 . 176.87 1.95 6.4883e-01 19855 1 1 1 1 54 GLU CB 30.269 . 30.01 1.72 8.8031e-01 19855 1 1 1 1 54 GLU H 7.726 . 8.33 0.59 3.0596e-01 19855 1 1 1 1 54 GLU HB2 1.901 . 2.02 0.21 5.7094e-01 19855 1 1 1 1 54 GLU N 96.680 A 120.67 3.48 5.4368e-12 19855 1 1 1 1 55 ASP C 175.857 . 176.4 1.75 7.5634e-01 19855 1 1 1 1 55 ASP CB 46.968 S 40.88 1.62 1.7126e-04 19855 1 1 1 1 55 ASP H 8.440 . 8.31 0.58 8.2265e-01 19855 1 1 1 1 55 ASP HB2 2.561 . 2.72 0.26 5.4084e-01 19855 1 1 1 1 55 ASP N 96.484 A 120.65 3.86 3.8345e-10 19855 1 1 1 1 56 ASP C 175.795 . 176.4 1.75 7.2956e-01 19855 1 1 1 1 56 ASP CB 40.816 . 40.88 1.62 9.6849e-01 19855 1 1 1 1 56 ASP H 7.756 . 8.31 0.58 3.3949e-01 19855 1 1 1 1 56 ASP N 96.484 A 120.65 3.86 3.8345e-10 19855 1 1 1 1 57 VAL C 175.567 . 175.62 1.9 9.7775e-01 19855 1 1 1 1 57 VAL CB 33.199 . 32.73 1.79 7.9331e-01 19855 1 1 1 1 57 VAL CG1 20.894 . 21.49 1.36 6.6122e-01 19855 1 1 1 1 57 VAL H 8.274 . 8.29 0.67 9.8095e-01 19855 1 1 1 1 57 VAL HB 1.991 . 1.98 0.32 9.7258e-01 19855 1 1 1 1 57 VAL HG11 0.845 . 0.83 0.26 9.5399e-01 19855 1 1 1 1 57 VAL HG12 0.845 . 0.83 0.26 9.5399e-01 19855 1 1 1 1 57 VAL HG13 0.845 . 0.83 0.26 9.5399e-01 19855 1 1 1 1 57 VAL N 96.094 A 121.14 4.54 3.4535e-08 19855 1 1 1 1 58 PHE C 174.537 . 175.42 1.99 6.5725e-01 19855 1 1 1 1 58 PHE CB 41.109 . 39.99 2.09 5.9237e-01 19855 1 1 1 1 58 PHE H 5.262 S 8.36 0.72 1.6867e-05 19855 1 1 1 1 58 PHE N 96.094 A 120.45 4.18 5.6502e-09 19855 1 1 1 1 59 ASP CB 42.281 . 40.88 1.62 3.8714e-01 19855 1 1 1 1 59 ASP H 8.411 . 8.31 0.58 8.6176e-01 19855 1 1 1 1 59 ASP N 95.898 A 120.65 3.86 1.4321e-10 19855 1 1 1 1 60 PRO C 176.830 . 176.75 1.51 9.5775e-01 19855 1 1 1 1 60 PRO CB 33.199 . 31.85 1.18 2.5295e-01 19855 1 1 1 1 60 PRO CD 51.363 . 50.32 0.99 2.9210e-01 19855 1 1 1 1 60 PRO HB2 1.946 . 2.08 0.35 7.0183e-01 19855 1 1 1 1 60 PRO HD2 3.572 . 3.65 0.35 8.2365e-01 19855 1 1 1 1 60 PRO N 95.898 A 134.16 6.62 7.4808e-09 19855 1 1 1 1 61 ASP C 176.348 . 176.4 1.75 9.7630e-01 19855 1 1 1 1 61 ASP CB 39.644 . 40.88 1.62 4.4549e-01 19855 1 1 1 1 61 ASP H 8.147 . 8.31 0.58 7.7868e-01 19855 1 1 1 1 61 ASP HB2 2.568 . 2.72 0.26 5.5881e-01 19855 1 1 1 1 61 ASP N 95.508 A 120.65 3.86 7.3434e-11 19855 1 1 1 1 62 LEU C 177.087 . 176.99 1.98 9.6093e-01 19855 1 1 1 1 62 LEU CB 43.746 . 42.31 1.88 4.4497e-01 19855 1 1 1 1 62 LEU CD1 25.289 . 24.72 1.59 7.2045e-01 19855 1 1 1 1 62 LEU CD2 27.925 . 24.05 1.7 2.2643e-02 19855 1 1 1 1 62 LEU H 8.333 . 8.23 0.65 8.7409e-01 19855 1 1 1 1 62 LEU HD11 0.896 . 0.75 0.28 6.0207e-01 19855 1 1 1 1 62 LEU HD12 0.896 . 0.75 0.28 6.0207e-01 19855 1 1 1 1 62 LEU HD13 0.896 . 0.75 0.28 6.0207e-01 19855 1 1 1 1 62 LEU HD21 0.851 . 0.73 0.29 6.7650e-01 19855 1 1 1 1 62 LEU HD22 0.851 . 0.73 0.29 6.7650e-01 19855 1 1 1 1 62 LEU HD23 0.851 . 0.73 0.29 6.7650e-01 19855 1 1 1 1 62 LEU N 95.313 A 121.86 3.9 9.9708e-12 19855 1 1 1 1 63 ASP C 176.075 . 176.4 1.75 8.5267e-01 19855 1 1 1 1 63 ASP CB 41.988 . 40.88 1.62 4.9401e-01 19855 1 1 1 1 63 ASP H 8.127 . 8.31 0.58 7.5237e-01 19855 1 1 1 1 63 ASP HB2 2.561 . 2.72 0.26 5.4084e-01 19855 1 1 1 1 63 ASP N 95.313 A 120.65 3.86 5.2387e-11 19855 1 1 1 1 65 GLU C 176.208 . 176.87 1.95 7.3424e-01 19855 1 1 1 1 65 GLU CB 32.027 . 30.01 1.72 2.4093e-01 19855 1 1 1 1 65 GLU H 8.225 . 8.33 0.59 8.5875e-01 19855 1 1 1 1 65 GLU HG2 2.180 . 2.27 0.21 6.6823e-01 19855 1 1 1 1 65 GLU N 95.117 A 120.67 3.48 2.0915e-13 19855 1 1 1 1 66 VAL C 175.656 . 175.62 1.9 9.8488e-01 19855 1 1 1 1 66 VAL CB 33.785 . 32.73 1.79 5.5560e-01 19855 1 1 1 1 66 VAL CG1 22.066 . 21.49 1.36 6.7191e-01 19855 1 1 1 1 66 VAL H 8.010 . 8.29 0.67 6.7601e-01 19855 1 1 1 1 66 VAL HG11 0.871 . 0.83 0.26 8.7470e-01 19855 1 1 1 1 66 VAL HG12 0.871 . 0.83 0.26 8.7470e-01 19855 1 1 1 1 66 VAL HG13 0.871 . 0.83 0.26 8.7470e-01 19855 1 1 1 1 66 VAL HG21 0.730 . 0.8 0.28 8.0259e-01 19855 1 1 1 1 66 VAL HG22 0.730 . 0.8 0.28 8.0259e-01 19855 1 1 1 1 66 VAL HG23 0.730 . 0.8 0.28 8.0259e-01 19855 1 1 1 1 66 VAL N 95.117 A 121.14 4.54 9.9289e-09 19855 1 1 1 1 67 VAL C 175.643 . 175.62 1.9 9.9034e-01 19855 1 1 1 1 67 VAL CB 34.078 . 32.73 1.79 4.5141e-01 19855 1 1 1 1 67 VAL CG1 19.429 . 21.49 1.36 1.2966e-01 19855 1 1 1 1 67 VAL H 8.000 . 8.29 0.67 6.6513e-01 19855 1 1 1 1 67 VAL HB 1.944 . 1.98 0.32 9.1043e-01 19855 1 1 1 1 67 VAL HG11 0.843 . 0.83 0.26 9.6012e-01 19855 1 1 1 1 67 VAL HG12 0.843 . 0.83 0.26 9.6012e-01 19855 1 1 1 1 67 VAL HG13 0.843 . 0.83 0.26 9.6012e-01 19855 1 1 1 1 67 VAL HG21 0.710 . 0.8 0.28 7.4789e-01 19855 1 1 1 1 67 VAL HG22 0.710 . 0.8 0.28 7.4789e-01 19855 1 1 1 1 67 VAL HG23 0.710 . 0.8 0.28 7.4789e-01 19855 1 1 1 1 67 VAL N 94.922 A 121.14 4.54 7.7003e-09 19855 1 1 1 1 68 PHE C 175.499 . 175.42 1.99 9.6833e-01 19855 1 1 1 1 68 PHE CB 40.230 . 39.99 2.09 9.0858e-01 19855 1 1 1 1 68 PHE H 7.912 . 8.36 0.72 5.3380e-01 19855 1 1 1 1 68 PHE HB2 2.954 . 3 0.37 9.0106e-01 19855 1 1 1 1 68 PHE N 94.531 A 120.45 4.18 5.6206e-10 19855 1 1 1 1 69 GLU C 176.182 . 176.87 1.95 7.2422e-01 19855 1 1 1 1 69 GLU CB 29.976 . 30.01 1.72 9.8423e-01 19855 1 1 1 1 69 GLU H 8.323 . 8.33 0.59 9.9053e-01 19855 1 1 1 1 69 GLU HB2 1.902 . 2.02 0.21 5.7418e-01 19855 1 1 1 1 69 GLU N 94.141 A 120.67 3.48 2.4732e-14 19855 1 1 1 1 70 THR C 173.695 . 174.54 1.76 6.3115e-01 19855 1 1 1 1 70 THR CB 69.820 . 69.73 1.63 9.5597e-01 19855 1 1 1 1 70 THR CG2 23.238 . 21.55 1.11 1.2833e-01 19855 1 1 1 1 70 THR H 8.284 . 8.24 0.62 9.4342e-01 19855 1 1 1 1 70 THR HB 4.205 . 4.17 0.33 9.1553e-01 19855 1 1 1 1 70 THR HG21 1.202 . 1.14 0.23 7.8749e-01 19855 1 1 1 1 70 THR HG22 1.202 . 1.14 0.23 7.8749e-01 19855 1 1 1 1 70 THR HG23 1.202 . 1.14 0.23 7.8749e-01 19855 1 1 1 1 70 THR N 93.750 A 115.42 4.75 5.0643e-06 19855 1 1 1 1 71 GLN CB 36.422 S 29.19 1.82 7.0787e-05 19855 1 1 1 1 71 GLN H 8.606 . 8.22 0.59 5.1296e-01 19855 1 1 1 1 71 GLN HB2 1.910 . 2.05 0.25 5.7548e-01 19855 1 1 1 1 71 GLN HE21 6.780 . 7.24 0.45 3.0668e-01 19855 1 1 1 1 71 GLN HE22 7.510 . 7.02 0.44 2.6544e-01 19855 1 1 1 1 71 GLN N 92.188 A 119.89 3.6 1.4149e-14 19855 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 2 SER SER 0.28 19855 1 1 1 1 2 SER PRO 0.2 19855 1 1 1 1 2 SER VAL 0.18 19855 1 1 1 1 2 SER THR 0.15 19855 1 1 1 1 2 SER ILE 0.11 19855 1 1 1 1 2 SER CYS 0.02 19855 1 1 1 1 5 MET MET 0.19 19855 1 1 1 1 5 MET CYS 0.18 19855 1 1 1 1 5 MET LYS 0.16 19855 1 1 1 1 5 MET VAL 0.16 19855 1 1 1 1 5 MET GLN 0.12 19855 1 1 1 1 5 MET PRO 0.05 19855 1 1 1 1 5 MET ARG 0.03 19855 1 1 1 1 5 MET HIS 0.03 19855 1 1 1 1 5 MET TRP 0.02 19855 1 1 1 1 5 MET GLU 0.01 19855 1 1 1 1 7 THR THR 0.9 19855 1 1 1 1 7 THR VAL 0.09 19855 1 1 1 1 10 GLU HIS 0.17 19855 1 1 1 1 10 GLU TRP 0.15 19855 1 1 1 1 10 GLU GLU 0.15 19855 1 1 1 1 10 GLU ARG 0.14 19855 1 1 1 1 10 GLU CYS 0.12 19855 1 1 1 1 10 GLU GLN 0.09 19855 1 1 1 1 10 GLU LYS 0.03 19855 1 1 1 1 10 GLU MET 0.03 19855 1 1 1 1 10 GLU PRO 0.03 19855 1 1 1 1 10 GLU VAL 0.02 19855 1 1 1 1 10 GLU ILE 0.02 19855 1 1 1 1 13 ILE ILE 0.99 19855 1 1 1 1 14 CYS CYS 0.19 19855 1 1 1 1 14 CYS MET 0.18 19855 1 1 1 1 14 CYS GLN 0.18 19855 1 1 1 1 14 CYS LYS 0.15 19855 1 1 1 1 14 CYS VAL 0.15 19855 1 1 1 1 14 CYS PRO 0.03 19855 1 1 1 1 14 CYS ARG 0.02 19855 1 1 1 1 14 CYS HIS 0.02 19855 1 1 1 1 14 CYS TRP 0.01 19855 1 1 1 1 16 HIS GLN 0.15 19855 1 1 1 1 16 HIS LYS 0.15 19855 1 1 1 1 16 HIS ILE 0.14 19855 1 1 1 1 16 HIS CYS 0.11 19855 1 1 1 1 16 HIS TRP 0.1 19855 1 1 1 1 16 HIS HIS 0.09 19855 1 1 1 1 16 HIS GLU 0.08 19855 1 1 1 1 16 HIS ARG 0.06 19855 1 1 1 1 16 HIS PRO 0.04 19855 1 1 1 1 16 HIS LEU 0.02 19855 1 1 1 1 16 HIS MET 0.01 19855 1 1 1 1 21 GLU ARG 0.16 19855 1 1 1 1 21 GLU HIS 0.15 19855 1 1 1 1 21 GLU TRP 0.13 19855 1 1 1 1 21 GLU CYS 0.13 19855 1 1 1 1 21 GLU GLU 0.13 19855 1 1 1 1 21 GLU GLN 0.08 19855 1 1 1 1 21 GLU MET 0.04 19855 1 1 1 1 21 GLU PRO 0.04 19855 1 1 1 1 21 GLU VAL 0.04 19855 1 1 1 1 21 GLU LYS 0.03 19855 1 1 1 1 21 GLU ILE 0.01 19855 1 1 1 1 22 GLU CYS 0.15 19855 1 1 1 1 22 GLU ARG 0.14 19855 1 1 1 1 22 GLU HIS 0.12 19855 1 1 1 1 22 GLU TRP 0.1 19855 1 1 1 1 22 GLU PRO 0.1 19855 1 1 1 1 22 GLU GLU 0.09 19855 1 1 1 1 22 GLU MET 0.08 19855 1 1 1 1 22 GLU VAL 0.06 19855 1 1 1 1 22 GLU LYS 0.06 19855 1 1 1 1 22 GLU GLN 0.05 19855 1 1 1 1 30 GLN ARG 0.16 19855 1 1 1 1 30 GLN HIS 0.15 19855 1 1 1 1 30 GLN TRP 0.13 19855 1 1 1 1 30 GLN CYS 0.13 19855 1 1 1 1 30 GLN GLU 0.13 19855 1 1 1 1 30 GLN GLN 0.08 19855 1 1 1 1 30 GLN MET 0.04 19855 1 1 1 1 30 GLN PRO 0.04 19855 1 1 1 1 30 GLN VAL 0.04 19855 1 1 1 1 30 GLN LYS 0.03 19855 1 1 1 1 30 GLN ILE 0.01 19855 1 1 1 1 32 ARG GLY 0.85 19855 1 1 1 1 32 ARG ARG 0.14 19855 1 1 1 1 33 ASN ILE 0.26 19855 1 1 1 1 33 ASN ASN 0.25 19855 1 1 1 1 33 ASN TYR 0.19 19855 1 1 1 1 33 ASN PHE 0.13 19855 1 1 1 1 33 ASN CYS 0.08 19855 1 1 1 1 33 ASN ASP 0.03 19855 1 1 1 1 33 ASN GLU 0.01 19855 1 1 1 1 33 ASN LEU 0.01 19855 1 1 1 1 35 PHE LEU 0.32 19855 1 1 1 1 35 PHE LYS 0.21 19855 1 1 1 1 35 PHE ASP 0.12 19855 1 1 1 1 35 PHE ARG 0.1 19855 1 1 1 1 35 PHE PHE 0.09 19855 1 1 1 1 35 PHE TYR 0.05 19855 1 1 1 1 35 PHE CYS 0.03 19855 1 1 1 1 35 PHE ILE 0.02 19855 1 1 1 1 35 PHE ASN 0.01 19855 1 1 1 1 40 TYR GLY 0.42 19855 1 1 1 1 40 TYR LEU 0.26 19855 1 1 1 1 40 TYR ARG 0.17 19855 1 1 1 1 40 TYR CYS 0.04 19855 1 1 1 1 40 TYR PHE 0.03 19855 1 1 1 1 40 TYR ASP 0.03 19855 1 1 1 1 40 TYR TYR 0.01 19855 1 1 1 1 41 ASP ALA 0.37 19855 1 1 1 1 41 ASP ASN 0.27 19855 1 1 1 1 41 ASP PRO 0.06 19855 1 1 1 1 41 ASP LEU 0.05 19855 1 1 1 1 41 ASP MET 0.04 19855 1 1 1 1 41 ASP CYS 0.03 19855 1 1 1 1 41 ASP HIS 0.03 19855 1 1 1 1 41 ASP ARG 0.02 19855 1 1 1 1 41 ASP GLN 0.02 19855 1 1 1 1 41 ASP TRP 0.01 19855 1 1 1 1 41 ASP LYS 0.01 19855 1 1 1 1 41 ASP PHE 0.01 19855 1 1 1 1 42 GLU ARG 0.16 19855 1 1 1 1 42 GLU HIS 0.15 19855 1 1 1 1 42 GLU TRP 0.13 19855 1 1 1 1 42 GLU CYS 0.13 19855 1 1 1 1 42 GLU GLU 0.13 19855 1 1 1 1 42 GLU GLN 0.08 19855 1 1 1 1 42 GLU MET 0.04 19855 1 1 1 1 42 GLU PRO 0.04 19855 1 1 1 1 42 GLU VAL 0.04 19855 1 1 1 1 42 GLU LYS 0.03 19855 1 1 1 1 42 GLU ILE 0.01 19855 1 1 1 1 43 GLU ILE 0.25 19855 1 1 1 1 43 GLU CYS 0.21 19855 1 1 1 1 43 GLU ASN 0.2 19855 1 1 1 1 43 GLU TYR 0.17 19855 1 1 1 1 43 GLU PHE 0.09 19855 1 1 1 1 43 GLU MET 0.02 19855 1 1 1 1 43 GLU ASP 0.01 19855 1 1 1 1 44 TRP CYS 0.27 19855 1 1 1 1 44 TRP MET 0.17 19855 1 1 1 1 44 TRP GLN 0.16 19855 1 1 1 1 44 TRP LYS 0.11 19855 1 1 1 1 44 TRP VAL 0.1 19855 1 1 1 1 44 TRP GLU 0.08 19855 1 1 1 1 44 TRP ILE 0.01 19855 1 1 1 1 44 TRP HIS 0.01 19855 1 1 1 1 44 TRP TYR 0.01 19855 1 1 1 1 44 TRP ARG 0.01 19855 1 1 1 1 45 TYR GLY 0.86 19855 1 1 1 1 45 TYR LEU 0.08 19855 1 1 1 1 45 TYR CYS 0.02 19855 1 1 1 1 46 PRO PRO 0.5 19855 1 1 1 1 46 PRO CYS 0.16 19855 1 1 1 1 46 PRO MET 0.13 19855 1 1 1 1 46 PRO GLN 0.06 19855 1 1 1 1 46 PRO LYS 0.04 19855 1 1 1 1 46 PRO HIS 0.03 19855 1 1 1 1 46 PRO ARG 0.02 19855 1 1 1 1 46 PRO TRP 0.01 19855 1 1 1 1 47 GLU PRO 0.2 19855 1 1 1 1 47 GLU ARG 0.2 19855 1 1 1 1 47 GLU LEU 0.18 19855 1 1 1 1 47 GLU ILE 0.15 19855 1 1 1 1 47 GLU CYS 0.08 19855 1 1 1 1 47 GLU GLN 0.05 19855 1 1 1 1 47 GLU TRP 0.03 19855 1 1 1 1 47 GLU HIS 0.02 19855 1 1 1 1 47 GLU GLU 0.01 19855 1 1 1 1 47 GLU LYS 0.01 19855 1 1 1 1 49 LEU LEU 0.87 19855 1 1 1 1 49 LEU GLY 0.12 19855 1 1 1 1 50 LEU LEU 0.87 19855 1 1 1 1 50 LEU GLY 0.1 19855 1 1 1 1 50 LEU LYS 0.01 19855 1 1 1 1 51 THR THR 0.99 19855 1 1 1 1 52 ASP ASP 0.23 19855 1 1 1 1 52 ASP LEU 0.19 19855 1 1 1 1 52 ASP LYS 0.17 19855 1 1 1 1 52 ASP PHE 0.15 19855 1 1 1 1 52 ASP TYR 0.1 19855 1 1 1 1 52 ASP ILE 0.05 19855 1 1 1 1 52 ASP CYS 0.04 19855 1 1 1 1 52 ASP ASN 0.03 19855 1 1 1 1 52 ASP ARG 0.01 19855 1 1 1 1 54 GLU HIS 0.17 19855 1 1 1 1 54 GLU TRP 0.15 19855 1 1 1 1 54 GLU GLU 0.15 19855 1 1 1 1 54 GLU ARG 0.14 19855 1 1 1 1 54 GLU CYS 0.12 19855 1 1 1 1 54 GLU GLN 0.09 19855 1 1 1 1 54 GLU LYS 0.03 19855 1 1 1 1 54 GLU MET 0.03 19855 1 1 1 1 54 GLU PRO 0.03 19855 1 1 1 1 54 GLU VAL 0.02 19855 1 1 1 1 54 GLU ILE 0.02 19855 1 1 1 1 55 ASP GLY 0.87 19855 1 1 1 1 55 ASP CYS 0.06 19855 1 1 1 1 55 ASP LEU 0.05 19855 1 1 1 1 56 ASP ASP 0.28 19855 1 1 1 1 56 ASP PHE 0.2 19855 1 1 1 1 56 ASP TYR 0.14 19855 1 1 1 1 56 ASP LEU 0.12 19855 1 1 1 1 56 ASP ILE 0.08 19855 1 1 1 1 56 ASP ASN 0.06 19855 1 1 1 1 56 ASP LYS 0.05 19855 1 1 1 1 56 ASP CYS 0.04 19855 1 1 1 1 57 VAL VAL 0.93 19855 1 1 1 1 57 VAL MET 0.05 19855 1 1 1 1 58 PHE ASP 0.26 19855 1 1 1 1 58 PHE PHE 0.17 19855 1 1 1 1 58 PHE LEU 0.15 19855 1 1 1 1 58 PHE TYR 0.12 19855 1 1 1 1 58 PHE LYS 0.1 19855 1 1 1 1 58 PHE ILE 0.06 19855 1 1 1 1 58 PHE ASN 0.04 19855 1 1 1 1 58 PHE CYS 0.04 19855 1 1 1 1 59 ASP LEU 0.32 19855 1 1 1 1 59 ASP LYS 0.21 19855 1 1 1 1 59 ASP ASP 0.12 19855 1 1 1 1 59 ASP ARG 0.1 19855 1 1 1 1 59 ASP PHE 0.09 19855 1 1 1 1 59 ASP TYR 0.05 19855 1 1 1 1 59 ASP CYS 0.03 19855 1 1 1 1 59 ASP ILE 0.02 19855 1 1 1 1 59 ASP ASN 0.01 19855 1 1 1 1 60 PRO PRO 0.44 19855 1 1 1 1 60 PRO CYS 0.16 19855 1 1 1 1 60 PRO MET 0.15 19855 1 1 1 1 60 PRO GLN 0.06 19855 1 1 1 1 60 PRO LYS 0.05 19855 1 1 1 1 60 PRO HIS 0.04 19855 1 1 1 1 60 PRO ARG 0.03 19855 1 1 1 1 60 PRO TRP 0.02 19855 1 1 1 1 61 ASP TYR 0.23 19855 1 1 1 1 61 ASP PHE 0.22 19855 1 1 1 1 61 ASP ILE 0.16 19855 1 1 1 1 61 ASP ASN 0.15 19855 1 1 1 1 61 ASP ASP 0.11 19855 1 1 1 1 61 ASP CYS 0.06 19855 1 1 1 1 61 ASP LEU 0.04 19855 1 1 1 1 62 LEU GLY 0.38 19855 1 1 1 1 62 LEU ARG 0.25 19855 1 1 1 1 62 LEU LEU 0.19 19855 1 1 1 1 62 LEU LYS 0.17 19855 1 1 1 1 63 ASP LYS 0.27 19855 1 1 1 1 63 ASP LEU 0.26 19855 1 1 1 1 63 ASP ASP 0.15 19855 1 1 1 1 63 ASP PHE 0.1 19855 1 1 1 1 63 ASP TYR 0.06 19855 1 1 1 1 63 ASP ARG 0.05 19855 1 1 1 1 63 ASP CYS 0.03 19855 1 1 1 1 63 ASP ILE 0.02 19855 1 1 1 1 63 ASP ASN 0.01 19855 1 1 1 1 65 GLU MET 0.17 19855 1 1 1 1 65 GLU CYS 0.16 19855 1 1 1 1 65 GLU PRO 0.15 19855 1 1 1 1 65 GLU VAL 0.12 19855 1 1 1 1 65 GLU LYS 0.11 19855 1 1 1 1 65 GLU ARG 0.08 19855 1 1 1 1 65 GLU HIS 0.06 19855 1 1 1 1 65 GLU TRP 0.05 19855 1 1 1 1 65 GLU GLU 0.04 19855 1 1 1 1 65 GLU GLN 0.02 19855 1 1 1 1 66 VAL VAL 0.94 19855 1 1 1 1 66 VAL LYS 0.04 19855 1 1 1 1 67 VAL MET 0.52 19855 1 1 1 1 67 VAL VAL 0.42 19855 1 1 1 1 67 VAL ILE 0.05 19855 1 1 1 1 68 PHE PHE 0.25 19855 1 1 1 1 68 PHE ASP 0.19 19855 1 1 1 1 68 PHE TYR 0.18 19855 1 1 1 1 68 PHE ILE 0.11 19855 1 1 1 1 68 PHE ASN 0.1 19855 1 1 1 1 68 PHE LEU 0.07 19855 1 1 1 1 68 PHE CYS 0.05 19855 1 1 1 1 68 PHE LYS 0.01 19855 1 1 1 1 69 GLU TRP 0.16 19855 1 1 1 1 69 GLU GLU 0.16 19855 1 1 1 1 69 GLU HIS 0.15 19855 1 1 1 1 69 GLU ARG 0.11 19855 1 1 1 1 69 GLU CYS 0.11 19855 1 1 1 1 69 GLU GLN 0.11 19855 1 1 1 1 69 GLU LYS 0.05 19855 1 1 1 1 69 GLU MET 0.03 19855 1 1 1 1 69 GLU ILE 0.03 19855 1 1 1 1 69 GLU VAL 0.02 19855 1 1 1 1 69 GLU PRO 0.01 19855 1 1 1 1 70 THR THR 0.94 19855 1 1 1 1 70 THR VAL 0.05 19855 1 1 1 1 71 GLN GLU 0.35 19855 1 1 1 1 71 GLN CYS 0.22 19855 1 1 1 1 71 GLN ILE 0.12 19855 1 1 1 1 71 GLN TYR 0.07 19855 1 1 1 1 71 GLN ASN 0.07 19855 1 1 1 1 71 GLN MET 0.05 19855 1 1 1 1 71 GLN PHE 0.03 19855 1 1 1 1 71 GLN LYS 0.01 19855 1 1 1 1 71 GLN VAL 0.01 19855 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19855 _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 19855 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19855 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19855 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19855 _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_