data_AVS_bmrb_pdb_report_15152 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15152 _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 15152 1 1 1 1 2 CYS Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 15152 1 1 1 1 3 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 4 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 7 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 8 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15152 1 1 1 1 10 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 11 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 12 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 13 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 14 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 15 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 16 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 18 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 19 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 20 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 21 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 22 CYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 23 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 26 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 28 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 31 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 34 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 35 SER Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 36 CYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 39 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 40 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 43 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 45 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 46 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 47 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 48 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 50 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 51 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 52 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 53 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 54 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 57 SER Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 59 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 60 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 65 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 67 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 75 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 76 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 77 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 82 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 86 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 87 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15152 1 1 1 1 89 GLU Anomalous Consistent Consistent Consistent Anomalous 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 15152 1 1 1 1 2 CYS C 182.149 M 174.78 1.99 2.1305e-04 15152 1 1 1 1 2 CYS CA 68.510 M 57.43 3.41 1.1570e-03 15152 1 1 1 1 2 CYS CB 38.760 . 34.15 6.77 4.9591e-01 15152 1 1 1 1 2 CYS HA 4.170 . 4.73 0.57 3.2588e-01 15152 1 1 1 1 2 CYS HB2 3.130 . 2.95 0.43 6.7550e-01 15152 1 1 1 1 2 CYS HB3 3.130 . 2.98 0.45 7.3888e-01 15152 1 1 1 1 3 ILE C 184.030 M 175.82 1.95 2.5508e-05 15152 1 1 1 1 3 ILE CA 60.279 . 61.59 2.78 6.3722e-01 15152 1 1 1 1 3 ILE CB 40.220 . 38.58 2.09 4.3264e-01 15152 1 1 1 1 3 ILE CG1 26.810 . 27.65 2.32 7.1730e-01 15152 1 1 1 1 3 ILE CG2 17.514 . 17.36 1.6 9.2332e-01 15152 1 1 1 1 3 ILE CD1 12.999 . 13.41 1.91 8.2962e-01 15152 1 1 1 1 3 ILE H 8.099 . 8.26 0.71 8.2061e-01 15152 1 1 1 1 3 ILE HA 4.210 . 4.2 0.56 9.8575e-01 15152 1 1 1 1 3 ILE HB 1.626 . 1.8 0.31 5.7460e-01 15152 1 1 1 1 3 ILE HG2 0.610 . 0.8 0.29 5.1236e-01 15152 1 1 1 1 3 ILE HG12 0.810 . 1.3 0.4 2.2058e-01 15152 1 1 1 1 3 ILE HG13 1.192 . 1.24 0.4 9.0448e-01 15152 1 1 1 1 3 ILE HD1 0.609 . 0.7 0.3 7.6164e-01 15152 1 1 1 1 3 ILE N 118.648 . 121.6 4.72 5.3169e-01 15152 1 1 1 1 4 GLY C 185.664 M 174.04 1.94 2.0759e-09 15152 1 1 1 1 4 GLY CA 43.811 . 45.33 1.42 2.8475e-01 15152 1 1 1 1 4 GLY H 7.776 . 8.34 0.74 4.4596e-01 15152 1 1 1 1 4 GLY HA2 4.003 . 3.95 0.4 8.9459e-01 15152 1 1 1 1 4 GLY HA3 4.003 . 3.93 0.4 8.5519e-01 15152 1 1 1 1 4 GLY N 107.830 . 109.91 4.29 6.2778e-01 15152 1 1 1 1 7 GLY C 187.280 M 174.04 1.94 8.8083e-12 15152 1 1 1 1 7 GLY CA 45.930 . 45.33 1.42 6.7263e-01 15152 1 1 1 1 7 GLY H 9.505 . 8.34 0.74 1.1541e-01 15152 1 1 1 1 7 GLY HA2 3.422 . 3.95 0.4 1.8683e-01 15152 1 1 1 1 7 GLY HA3 4.943 . 3.93 0.4 1.1325e-02 15152 1 1 1 1 7 GLY N 109.868 . 109.91 4.29 9.9219e-01 15152 1 1 1 1 8 GLN C 181.925 . 176.39 1.96 4.7431e-03 15152 1 1 1 1 8 GLN CA 53.639 . 56.62 2.19 1.7345e-01 15152 1 1 1 1 8 GLN CB 29.467 . 29.1 1.97 8.5221e-01 15152 1 1 1 1 8 GLN CG 32.655 . 33.72 1.1 3.3295e-01 15152 1 1 1 1 8 GLN H 7.870 . 8.22 0.62 5.7240e-01 15152 1 1 1 1 8 GLN HA 4.195 . 4.28 0.44 8.4682e-01 15152 1 1 1 1 8 GLN HB2 -0.653 M 2.05 0.28 4.7473e-22 15152 1 1 1 1 8 GLN HB3 1.224 . 2.04 0.29 4.8961e-03 15152 1 1 1 1 8 GLN HG2 0.682 S 2.32 0.29 1.6206e-08 15152 1 1 1 1 8 GLN HG3 1.340 S 2.32 0.29 7.2668e-04 15152 1 1 1 1 8 GLN HE21 7.455 . 7.17 0.46 5.3554e-01 15152 1 1 1 1 8 GLN HE22 6.863 . 7.07 0.49 6.7270e-01 15152 1 1 1 1 8 GLN N 122.443 . 119.92 4.01 5.2923e-01 15152 1 1 1 1 8 GLN NE2 111.790 . 111.81 2.2 9.9275e-01 15152 1 1 1 1 10 ARG C 181.934 M 176.49 2.16 1.1723e-02 15152 1 1 1 1 10 ARG CA 56.561 . 56.95 2.41 8.7177e-01 15152 1 1 1 1 10 ARG CB 31.061 . 30.66 1.77 8.2077e-01 15152 1 1 1 1 10 ARG CG 26.014 . 27.31 1.65 4.3219e-01 15152 1 1 1 1 10 ARG CD 42.217 . 43.1 1.1 4.2213e-01 15152 1 1 1 1 10 ARG H 9.410 . 8.24 0.6 5.1176e-02 15152 1 1 1 1 10 ARG HA 4.487 . 4.27 0.44 6.2188e-01 15152 1 1 1 1 10 ARG HB2 1.786 . 1.79 0.28 9.8860e-01 15152 1 1 1 1 10 ARG HB3 1.786 . 1.78 0.28 9.8290e-01 15152 1 1 1 1 10 ARG HG2 1.597 . 1.58 0.27 9.4980e-01 15152 1 1 1 1 10 ARG HG3 1.597 . 1.58 0.27 9.4980e-01 15152 1 1 1 1 10 ARG HD2 2.965 . 3.13 0.23 4.7313e-01 15152 1 1 1 1 10 ARG HD3 3.112 . 3.13 0.22 9.3479e-01 15152 1 1 1 1 10 ARG HE 7.408 . 7.32 0.52 8.6562e-01 15152 1 1 1 1 10 ARG N 131.108 . 120.61 3.9 7.1069e-03 15152 1 1 1 1 10 ARG NE 114.230 . 89.8 12.83 5.6893e-02 15152 1 1 1 1 11 THR C 185.327 M 174.6 1.8 2.5310e-09 15152 1 1 1 1 11 THR CA 60.279 . 62.15 2.72 4.9154e-01 15152 1 1 1 1 11 THR CB 72.232 . 69.64 1.7 1.2733e-01 15152 1 1 1 1 11 THR CG2 22.030 . 21.44 1.39 6.7123e-01 15152 1 1 1 1 11 THR H 7.504 . 8.27 0.62 2.1665e-01 15152 1 1 1 1 11 THR HA 4.547 . 4.48 0.5 8.9340e-01 15152 1 1 1 1 11 THR HB 4.069 . 4.17 0.37 7.8487e-01 15152 1 1 1 1 11 THR HG2 1.103 . 1.16 0.28 8.3869e-01 15152 1 1 1 1 11 THR N 109.472 . 115.7 5.05 2.1748e-01 15152 1 1 1 1 12 ILE C 183.387 M 175.82 1.95 1.0424e-04 15152 1 1 1 1 12 ILE CA 61.342 . 61.59 2.78 9.2892e-01 15152 1 1 1 1 12 ILE CB 42.217 . 38.58 2.09 8.1825e-02 15152 1 1 1 1 12 ILE CG1 28.671 . 27.65 2.32 6.5987e-01 15152 1 1 1 1 12 ILE CG2 18.577 . 17.36 1.6 4.4688e-01 15152 1 1 1 1 12 ILE CD1 15.921 . 13.41 1.91 1.8862e-01 15152 1 1 1 1 12 ILE H 8.589 . 8.26 0.71 6.4309e-01 15152 1 1 1 1 12 ILE HA 4.421 . 4.2 0.56 6.9311e-01 15152 1 1 1 1 12 ILE HB 1.458 . 1.8 0.31 2.6993e-01 15152 1 1 1 1 12 ILE HG2 0.812 . 0.8 0.29 9.6699e-01 15152 1 1 1 1 12 ILE HG12 0.696 . 1.3 0.4 1.3104e-01 15152 1 1 1 1 12 ILE HG13 1.282 . 1.24 0.4 9.1638e-01 15152 1 1 1 1 12 ILE HD1 0.836 . 0.7 0.3 6.5031e-01 15152 1 1 1 1 12 ILE N 121.706 . 121.6 4.72 9.8208e-01 15152 1 1 1 1 13 ASP C 181.760 M 176.41 1.77 2.5061e-03 15152 1 1 1 1 13 ASP CA 53.320 . 54.52 2.1 5.6771e-01 15152 1 1 1 1 13 ASP CB 42.217 . 40.7 1.67 3.6368e-01 15152 1 1 1 1 13 ASP H 8.777 . 8.33 0.57 4.3292e-01 15152 1 1 1 1 13 ASP HA 4.760 . 4.61 0.31 6.2848e-01 15152 1 1 1 1 13 ASP HB2 2.423 . 2.74 0.29 2.7435e-01 15152 1 1 1 1 13 ASP HB3 2.707 . 2.7 0.29 9.8074e-01 15152 1 1 1 1 13 ASP N 128.673 . 120.73 4.2 5.8599e-02 15152 1 1 1 1 14 GLY C 183.708 M 174.04 1.94 6.2443e-07 15152 1 1 1 1 14 GLY CA 47.264 . 45.33 1.42 1.7321e-01 15152 1 1 1 1 14 GLY H 8.993 . 8.34 0.74 3.7754e-01 15152 1 1 1 1 14 GLY HA2 3.576 . 3.95 0.4 3.4979e-01 15152 1 1 1 1 14 GLY HA3 3.968 . 3.93 0.4 9.2432e-01 15152 1 1 1 1 14 GLY N 117.118 . 109.91 4.29 9.2921e-02 15152 1 1 1 1 15 ASN C 184.216 M 175.16 1.76 2.6687e-07 15152 1 1 1 1 15 ASN CA 52.820 . 53.43 1.94 7.5319e-01 15152 1 1 1 1 15 ASN CB 39.030 . 38.66 1.78 8.3533e-01 15152 1 1 1 1 15 ASN H 8.851 . 8.37 0.65 4.5930e-01 15152 1 1 1 1 15 ASN HA 4.820 . 4.7 0.39 7.5832e-01 15152 1 1 1 1 15 ASN HB2 2.674 . 2.8 0.34 7.1094e-01 15152 1 1 1 1 15 ASN HB3 2.941 . 2.78 0.34 6.3584e-01 15152 1 1 1 1 15 ASN HD21 7.505 . 7.27 0.52 6.5132e-01 15152 1 1 1 1 15 ASN HD22 7.017 . 7.2 0.52 7.2490e-01 15152 1 1 1 1 15 ASN N 124.935 . 119.13 4.42 1.8907e-01 15152 1 1 1 1 15 ASN ND2 113.720 . 112.83 2.6 7.3212e-01 15152 1 1 1 1 16 GLN C 183.512 M 176.39 1.96 2.7941e-04 15152 1 1 1 1 16 GLN CA 54.630 . 56.62 2.19 3.6352e-01 15152 1 1 1 1 16 GLN CB 30.790 . 29.1 1.97 3.9097e-01 15152 1 1 1 1 16 GLN CG 33.717 . 33.72 1.1 9.9782e-01 15152 1 1 1 1 16 GLN H 7.997 . 8.22 0.62 7.1909e-01 15152 1 1 1 1 16 GLN HA 4.780 . 4.28 0.44 2.5580e-01 15152 1 1 1 1 16 GLN HB2 2.079 . 2.05 0.28 9.1751e-01 15152 1 1 1 1 16 GLN HB3 2.142 . 2.04 0.29 7.2504e-01 15152 1 1 1 1 16 GLN HG2 2.314 . 2.32 0.29 9.8349e-01 15152 1 1 1 1 16 GLN HG3 2.314 . 2.32 0.29 9.8349e-01 15152 1 1 1 1 16 GLN HE21 7.388 . 7.17 0.46 6.3556e-01 15152 1 1 1 1 16 GLN HE22 6.608 . 7.07 0.49 3.4575e-01 15152 1 1 1 1 16 GLN N 119.780 . 119.92 4.01 9.7215e-01 15152 1 1 1 1 16 GLN NE2 111.796 . 111.81 2.2 9.9492e-01 15152 1 1 1 1 18 LYS C 181.645 M 176.46 2.05 1.1430e-02 15152 1 1 1 1 18 LYS CA 54.436 . 56.84 2.25 2.8532e-01 15152 1 1 1 1 18 LYS CB 32.390 . 32.83 1.88 8.1495e-01 15152 1 1 1 1 18 LYS CG 24.150 . 24.91 1.31 5.6181e-01 15152 1 1 1 1 18 LYS CD 28.405 . 28.78 1.39 7.8733e-01 15152 1 1 1 1 18 LYS CE 42.217 . 41.78 0.98 6.5566e-01 15152 1 1 1 1 18 LYS H 8.219 . 8.22 0.64 9.9875e-01 15152 1 1 1 1 18 LYS HA 4.980 . 4.28 0.45 1.1981e-01 15152 1 1 1 1 18 LYS HB2 1.433 . 1.79 0.25 1.5329e-01 15152 1 1 1 1 18 LYS HB3 1.958 . 1.78 0.26 4.9359e-01 15152 1 1 1 1 18 LYS HG2 1.267 . 1.38 0.27 6.7557e-01 15152 1 1 1 1 18 LYS HG3 1.332 . 1.37 0.29 8.9575e-01 15152 1 1 1 1 18 LYS HD2 1.622 . 1.61 0.25 9.6172e-01 15152 1 1 1 1 18 LYS HD3 1.300 . 1.61 0.25 2.1498e-01 15152 1 1 1 1 18 LYS HE2 2.832 . 2.93 0.2 6.2413e-01 15152 1 1 1 1 18 LYS HE3 2.832 . 2.93 0.2 6.2413e-01 15152 1 1 1 1 18 LYS N 120.517 . 121.16 4.11 8.7568e-01 15152 1 1 1 1 19 VAL C 181.965 M 175.69 2.03 1.9939e-03 15152 1 1 1 1 19 VAL CA 59.750 . 62.48 3.04 3.6917e-01 15152 1 1 1 1 19 VAL CB 35.310 . 32.66 1.91 1.6531e-01 15152 1 1 1 1 19 VAL CG1 21.233 . 21.38 1.53 9.2346e-01 15152 1 1 1 1 19 VAL CG2 23.757 . 21.31 1.76 1.6443e-01 15152 1 1 1 1 19 VAL H 9.241 . 8.29 0.71 1.8043e-01 15152 1 1 1 1 19 VAL HA 4.437 . 4.16 0.57 6.2699e-01 15152 1 1 1 1 19 VAL HB 1.670 . 1.99 0.33 3.3220e-01 15152 1 1 1 1 19 VAL HG1 0.418 . 0.84 0.27 1.1806e-01 15152 1 1 1 1 19 VAL HG2 0.608 . 0.83 0.29 4.4396e-01 15152 1 1 1 1 19 VAL N 125.784 . 121.02 4.96 3.3681e-01 15152 1 1 1 1 20 ASP C 182.737 M 176.41 1.77 3.5080e-04 15152 1 1 1 1 20 ASP CA 54.436 . 54.52 2.1 9.6809e-01 15152 1 1 1 1 20 ASP CB 41.952 . 40.7 1.67 4.5344e-01 15152 1 1 1 1 20 ASP H 8.707 . 8.33 0.57 5.0835e-01 15152 1 1 1 1 20 ASP HA 4.494 . 4.61 0.31 7.0826e-01 15152 1 1 1 1 20 ASP HB2 2.262 . 2.74 0.29 9.9296e-02 15152 1 1 1 1 20 ASP HB3 2.663 . 2.7 0.29 8.9848e-01 15152 1 1 1 1 20 ASP N 128.730 . 120.73 4.2 5.6811e-02 15152 1 1 1 1 21 VAL C 181.629 M 175.69 2.03 3.4378e-03 15152 1 1 1 1 21 VAL CA 61.340 . 62.48 3.04 7.0766e-01 15152 1 1 1 1 21 VAL CB 32.124 . 32.66 1.91 7.7900e-01 15152 1 1 1 1 21 VAL CG1 20.968 . 21.38 1.53 7.8771e-01 15152 1 1 1 1 21 VAL CG2 22.030 . 21.31 1.76 6.8247e-01 15152 1 1 1 1 21 VAL H 8.841 . 8.29 0.71 4.3772e-01 15152 1 1 1 1 21 VAL HA 4.560 . 4.16 0.57 4.8283e-01 15152 1 1 1 1 21 VAL HB 2.054 . 1.99 0.33 8.4622e-01 15152 1 1 1 1 21 VAL HG1 0.760 . 0.84 0.27 7.6700e-01 15152 1 1 1 1 21 VAL HG2 0.900 . 0.83 0.29 8.0926e-01 15152 1 1 1 1 21 VAL N 128.616 . 121.02 4.96 1.2566e-01 15152 1 1 1 1 22 CYS C 183.192 M 174.78 1.99 2.3668e-05 15152 1 1 1 1 22 CYS CA 60.280 . 57.43 3.41 4.0328e-01 15152 1 1 1 1 22 CYS CB 26.280 . 34.15 6.77 2.4504e-01 15152 1 1 1 1 22 CYS H 10.101 . 8.42 0.66 1.0866e-02 15152 1 1 1 1 22 CYS HA 4.017 . 4.73 0.57 2.1098e-01 15152 1 1 1 1 22 CYS HB2 2.955 . 2.95 0.43 9.9072e-01 15152 1 1 1 1 22 CYS HB3 3.233 . 2.98 0.45 5.7396e-01 15152 1 1 1 1 22 CYS N 124.990 . 119.95 4.79 2.9271e-01 15152 1 1 1 1 23 GLY C 183.593 M 174.04 1.94 8.4695e-07 15152 1 1 1 1 23 GLY CA 45.670 . 45.33 1.42 8.1077e-01 15152 1 1 1 1 23 GLY H 8.567 . 8.34 0.74 7.5903e-01 15152 1 1 1 1 23 GLY HA2 3.815 . 3.95 0.4 7.3574e-01 15152 1 1 1 1 23 GLY HA3 4.233 . 3.93 0.4 4.4875e-01 15152 1 1 1 1 23 GLY N 105.507 . 109.91 4.29 3.0473e-01 15152 1 1 1 1 26 ARG C 182.697 M 176.49 2.16 4.0581e-03 15152 1 1 1 1 26 ARG CA 53.506 . 56.95 2.41 1.5299e-01 15152 1 1 1 1 26 ARG CB 32.920 . 30.66 1.77 2.0166e-01 15152 1 1 1 1 26 ARG CG 26.280 . 27.31 1.65 5.3247e-01 15152 1 1 1 1 26 ARG CD 42.740 . 43.1 1.1 7.4346e-01 15152 1 1 1 1 26 ARG H 9.208 . 8.24 0.6 1.0667e-01 15152 1 1 1 1 26 ARG HA 4.664 . 4.27 0.44 3.7054e-01 15152 1 1 1 1 26 ARG HB2 1.555 . 1.79 0.28 4.0131e-01 15152 1 1 1 1 26 ARG HB3 1.836 . 1.78 0.28 8.4148e-01 15152 1 1 1 1 26 ARG HG2 1.700 . 1.58 0.27 6.5672e-01 15152 1 1 1 1 26 ARG HG3 1.700 . 1.58 0.27 6.5672e-01 15152 1 1 1 1 26 ARG HD2 3.000 . 3.13 0.23 5.7193e-01 15152 1 1 1 1 26 ARG HD3 3.160 . 3.13 0.22 8.9153e-01 15152 1 1 1 1 26 ARG HE 7.149 . 7.32 0.52 7.4227e-01 15152 1 1 1 1 26 ARG N 125.500 . 120.61 3.9 2.0990e-01 15152 1 1 1 1 26 ARG NE 114.060 . 89.8 12.83 5.8640e-02 15152 1 1 1 1 28 VAL C 185.044 M 175.69 2.03 4.0679e-06 15152 1 1 1 1 28 VAL CA 60.545 . 62.48 3.04 5.2444e-01 15152 1 1 1 1 28 VAL CB 36.905 . 32.66 1.91 2.6249e-02 15152 1 1 1 1 28 VAL CG1 23.360 . 21.38 1.53 1.9562e-01 15152 1 1 1 1 28 VAL CG2 23.360 . 21.31 1.76 2.4411e-01 15152 1 1 1 1 28 VAL H 9.054 . 8.29 0.71 2.8190e-01 15152 1 1 1 1 28 VAL HA 4.220 . 4.16 0.57 9.1617e-01 15152 1 1 1 1 28 VAL HB 1.576 . 1.99 0.33 2.0964e-01 15152 1 1 1 1 28 VAL HG1 0.598 . 0.84 0.27 3.7009e-01 15152 1 1 1 1 28 VAL HG2 0.598 . 0.83 0.29 4.2371e-01 15152 1 1 1 1 28 VAL N 124.760 . 121.02 4.96 4.5083e-01 15152 1 1 1 1 31 THR C 181.547 M 174.6 1.8 1.1365e-04 15152 1 1 1 1 31 THR CA 68.780 . 62.15 2.72 1.4789e-02 15152 1 1 1 1 31 THR CB 69.576 . 69.64 1.7 9.6997e-01 15152 1 1 1 1 31 THR CG2 21.500 . 21.44 1.39 9.6557e-01 15152 1 1 1 1 31 THR H 9.536 . 8.27 0.62 4.1158e-02 15152 1 1 1 1 31 THR HA 3.714 . 4.48 0.5 1.2552e-01 15152 1 1 1 1 31 THR HB 4.082 . 4.17 0.37 8.1201e-01 15152 1 1 1 1 31 THR HG2 1.300 . 1.16 0.28 6.1707e-01 15152 1 1 1 1 31 THR N 118.930 . 115.7 5.05 5.2243e-01 15152 1 1 1 1 34 GLY C 183.907 M 174.04 1.94 3.6554e-07 15152 1 1 1 1 34 GLY CA 44.340 . 45.33 1.42 4.8569e-01 15152 1 1 1 1 34 GLY H 8.336 . 8.34 0.74 9.9569e-01 15152 1 1 1 1 34 GLY HA2 3.778 . 3.95 0.4 6.6720e-01 15152 1 1 1 1 34 GLY HA3 4.587 . 3.93 0.4 1.0049e-01 15152 1 1 1 1 34 GLY N 113.320 . 109.91 4.29 4.2669e-01 15152 1 1 1 1 35 SER C 183.459 M 174.53 1.73 2.4528e-07 15152 1 1 1 1 35 SER CA 60.010 . 58.57 2.12 4.9698e-01 15152 1 1 1 1 35 SER CB 63.733 . 63.8 1.57 9.6596e-01 15152 1 1 1 1 35 SER H 8.723 . 8.29 0.62 4.8494e-01 15152 1 1 1 1 35 SER HA 4.180 . 4.51 0.43 4.4282e-01 15152 1 1 1 1 35 SER HB2 4.005 . 3.88 0.29 6.6644e-01 15152 1 1 1 1 35 SER HB3 3.920 . 3.87 0.31 8.7186e-01 15152 1 1 1 1 35 SER N 118.760 . 116.3 3.95 5.3343e-01 15152 1 1 1 1 36 CYS C 184.372 M 174.78 1.99 1.4349e-06 15152 1 1 1 1 36 CYS CA 56.030 . 57.43 3.41 6.8140e-01 15152 1 1 1 1 36 CYS CB 31.327 . 34.15 6.77 6.7669e-01 15152 1 1 1 1 36 CYS H 7.838 . 8.42 0.66 3.7788e-01 15152 1 1 1 1 36 CYS HA 5.050 . 4.73 0.57 5.7452e-01 15152 1 1 1 1 36 CYS HB2 2.282 . 2.95 0.43 1.2031e-01 15152 1 1 1 1 36 CYS HB3 2.738 . 2.98 0.45 5.9073e-01 15152 1 1 1 1 36 CYS N 116.610 . 119.95 4.79 4.8562e-01 15152 1 1 1 1 39 ASN C 181.879 M 175.16 1.76 1.3475e-04 15152 1 1 1 1 39 ASN CA 52.842 . 53.43 1.94 7.6182e-01 15152 1 1 1 1 39 ASN CB 39.560 . 38.66 1.78 6.1312e-01 15152 1 1 1 1 39 ASN H 8.360 . 8.37 0.65 9.8773e-01 15152 1 1 1 1 39 ASN HA 4.943 . 4.7 0.39 5.3323e-01 15152 1 1 1 1 39 ASN HB2 2.840 . 2.8 0.34 9.0635e-01 15152 1 1 1 1 39 ASN HB3 3.029 . 2.78 0.34 4.6395e-01 15152 1 1 1 1 39 ASN HD21 6.992 . 7.27 0.52 5.9292e-01 15152 1 1 1 1 39 ASN HD22 7.849 . 7.2 0.52 2.1200e-01 15152 1 1 1 1 39 ASN N 118.530 . 119.13 4.42 8.9202e-01 15152 1 1 1 1 39 ASN ND2 115.532 . 112.83 2.6 2.9870e-01 15152 1 1 1 1 40 GLY C 183.670 M 174.04 1.94 6.9085e-07 15152 1 1 1 1 40 GLY CA 45.670 . 45.33 1.42 8.1077e-01 15152 1 1 1 1 40 GLY H 8.290 . 8.34 0.74 9.4613e-01 15152 1 1 1 1 40 GLY HA2 3.695 . 3.95 0.4 5.2380e-01 15152 1 1 1 1 40 GLY HA3 4.204 . 3.93 0.4 4.9334e-01 15152 1 1 1 1 40 GLY N 109.530 . 109.91 4.29 9.2942e-01 15152 1 1 1 1 43 ARG C 182.298 M 176.49 2.16 7.1690e-03 15152 1 1 1 1 43 ARG CA 57.890 . 56.95 2.41 6.9651e-01 15152 1 1 1 1 43 ARG CB 29.467 . 30.66 1.77 5.0030e-01 15152 1 1 1 1 43 ARG CG 28.405 . 27.31 1.65 5.0692e-01 15152 1 1 1 1 43 ARG CD 43.540 . 43.1 1.1 6.8916e-01 15152 1 1 1 1 43 ARG H 7.916 . 8.24 0.6 5.8920e-01 15152 1 1 1 1 43 ARG HA 4.170 . 4.27 0.44 8.2021e-01 15152 1 1 1 1 43 ARG HB2 1.115 . 1.79 0.28 1.5921e-02 15152 1 1 1 1 43 ARG HB3 2.006 . 1.78 0.28 4.1958e-01 15152 1 1 1 1 43 ARG HG2 1.145 . 1.58 0.27 1.0716e-01 15152 1 1 1 1 43 ARG HG3 1.342 . 1.58 0.27 3.7806e-01 15152 1 1 1 1 43 ARG HD2 2.816 . 3.13 0.23 1.7218e-01 15152 1 1 1 1 43 ARG HD3 3.028 . 3.13 0.22 6.4291e-01 15152 1 1 1 1 43 ARG HE 6.642 . 7.32 0.52 1.9229e-01 15152 1 1 1 1 43 ARG N 123.236 . 120.61 3.9 5.0074e-01 15152 1 1 1 1 43 ARG NE 114.966 . 89.8 12.83 4.9821e-02 15152 1 1 1 1 45 GLY C 183.124 M 174.04 1.94 2.8343e-06 15152 1 1 1 1 45 GLY CA 45.140 . 45.33 1.42 8.9356e-01 15152 1 1 1 1 45 GLY H 8.486 . 8.34 0.74 8.4359e-01 15152 1 1 1 1 45 GLY HA2 3.544 . 3.95 0.4 3.1011e-01 15152 1 1 1 1 45 GLY HA3 4.380 . 3.93 0.4 2.6059e-01 15152 1 1 1 1 45 GLY N 116.380 . 109.91 4.29 1.3151e-01 15152 1 1 1 1 46 GLN C 183.150 M 176.39 1.96 5.6271e-04 15152 1 1 1 1 46 GLN CA 56.560 . 56.62 2.19 9.7814e-01 15152 1 1 1 1 46 GLN CB 29.200 . 29.1 1.97 9.5952e-01 15152 1 1 1 1 46 GLN CG 35.311 . 33.72 1.1 1.4807e-01 15152 1 1 1 1 46 GLN H 7.781 . 8.22 0.62 4.7891e-01 15152 1 1 1 1 46 GLN HA 4.487 . 4.28 0.44 6.3803e-01 15152 1 1 1 1 46 GLN HB2 2.128 . 2.05 0.28 7.8057e-01 15152 1 1 1 1 46 GLN HB3 2.284 . 2.04 0.29 4.0014e-01 15152 1 1 1 1 46 GLN HG2 2.296 . 2.32 0.29 9.3404e-01 15152 1 1 1 1 46 GLN HG3 2.296 . 2.32 0.29 9.3404e-01 15152 1 1 1 1 46 GLN HE21 7.300 . 7.17 0.46 7.7748e-01 15152 1 1 1 1 46 GLN HE22 6.515 . 7.07 0.49 2.5736e-01 15152 1 1 1 1 46 GLN N 120.170 . 119.92 4.01 9.5029e-01 15152 1 1 1 1 46 GLN NE2 109.585 . 111.81 2.2 3.1184e-01 15152 1 1 1 1 47 TRP C 181.809 M 176.1 1.89 2.5225e-03 15152 1 1 1 1 47 TRP CA 56.300 . 57.71 2.65 5.9467e-01 15152 1 1 1 1 47 TRP CB 30.264 . 30.16 2.19 9.6212e-01 15152 1 1 1 1 47 TRP CD1 126.228 . 126.16 1.76 9.6918e-01 15152 1 1 1 1 47 TRP CE3 120.062 . 120.38 1.5 8.3211e-01 15152 1 1 1 1 47 TRP CZ2 114.555 . 114.19 1.09 7.3773e-01 15152 1 1 1 1 47 TRP CZ3 118.891 . 121.57 1.76 1.2797e-01 15152 1 1 1 1 47 TRP CH2 124.398 . 123.75 1.34 6.2868e-01 15152 1 1 1 1 47 TRP H 8.939 . 8.35 0.84 4.8318e-01 15152 1 1 1 1 47 TRP HA 5.240 . 4.74 0.55 3.6330e-01 15152 1 1 1 1 47 TRP HB2 2.756 . 3.22 0.36 1.9744e-01 15152 1 1 1 1 47 TRP HB3 3.200 . 3.18 0.36 9.5570e-01 15152 1 1 1 1 47 TRP HD1 7.353 . 7.16 0.34 5.7027e-01 15152 1 1 1 1 47 TRP HE1 10.355 . 10.13 0.53 6.7118e-01 15152 1 1 1 1 47 TRP HE3 7.160 . 7.17 1.03 9.9225e-01 15152 1 1 1 1 47 TRP HZ2 7.318 . 7.14 0.89 8.4148e-01 15152 1 1 1 1 47 TRP HZ3 6.860 . 6.68 1.02 8.5992e-01 15152 1 1 1 1 47 TRP HH2 7.063 . 6.82 0.94 7.9601e-01 15152 1 1 1 1 47 TRP N 122.273 . 121.87 4.58 9.2988e-01 15152 1 1 1 1 47 TRP NE1 130.429 . 129.48 2.56 7.1086e-01 15152 1 1 1 1 48 VAL C 182.127 M 175.69 2.03 1.5195e-03 15152 1 1 1 1 48 VAL CA 56.826 . 62.48 3.04 6.2904e-02 15152 1 1 1 1 48 VAL CB 36.370 . 32.66 1.91 5.2088e-02 15152 1 1 1 1 48 VAL CG1 18.046 . 21.38 1.53 2.9325e-02 15152 1 1 1 1 48 VAL CG2 23.360 . 21.31 1.76 2.4411e-01 15152 1 1 1 1 48 VAL H 9.265 . 8.29 0.71 1.6968e-01 15152 1 1 1 1 48 VAL HA 5.554 . 4.16 0.57 1.4461e-02 15152 1 1 1 1 48 VAL HB 2.040 . 1.99 0.33 8.7957e-01 15152 1 1 1 1 48 VAL HG1 0.610 . 0.84 0.27 3.9430e-01 15152 1 1 1 1 48 VAL HG2 0.876 . 0.83 0.29 8.7397e-01 15152 1 1 1 1 48 VAL N 111.340 . 121.02 4.96 5.0984e-02 15152 1 1 1 1 50 VAL C 181.989 M 175.69 2.03 1.9160e-03 15152 1 1 1 1 50 VAL CA 62.404 . 62.48 3.04 9.8006e-01 15152 1 1 1 1 50 VAL CB 32.920 . 32.66 1.91 8.9172e-01 15152 1 1 1 1 50 VAL CG1 22.560 . 21.38 1.53 4.4056e-01 15152 1 1 1 1 50 VAL CG2 22.830 . 21.31 1.76 3.8779e-01 15152 1 1 1 1 50 VAL H 9.116 . 8.29 0.71 2.4468e-01 15152 1 1 1 1 50 VAL HA 4.610 . 4.16 0.57 4.2984e-01 15152 1 1 1 1 50 VAL HB 2.168 . 1.99 0.33 5.8961e-01 15152 1 1 1 1 50 VAL HG1 0.760 . 0.84 0.27 7.6700e-01 15152 1 1 1 1 50 VAL HG2 0.830 . 0.83 0.29 1.0000e+00 15152 1 1 1 1 50 VAL N 125.670 . 121.02 4.96 3.4850e-01 15152 1 1 1 1 51 HIS C 183.827 M 175.19 2.14 5.4375e-05 15152 1 1 1 1 51 HIS CA 56.295 . 56.37 2.4 9.7507e-01 15152 1 1 1 1 51 HIS CB 33.452 . 29.95 2.15 1.0335e-01 15152 1 1 1 1 51 HIS CD2 120.414 . 119.84 3.3 8.6191e-01 15152 1 1 1 1 51 HIS H 9.252 . 8.25 0.74 1.7572e-01 15152 1 1 1 1 51 HIS HA 5.043 . 4.62 0.51 4.0687e-01 15152 1 1 1 1 51 HIS HB2 2.955 . 3.12 0.43 7.0119e-01 15152 1 1 1 1 51 HIS HB3 3.280 . 3.11 0.45 7.0560e-01 15152 1 1 1 1 51 HIS HD2 7.064 . 7.08 0.5 9.7447e-01 15152 1 1 1 1 51 HIS N 128.956 . 119.44 4.52 3.5264e-02 15152 1 1 1 1 52 VAL C 182.417 M 175.69 2.03 9.2040e-04 15152 1 1 1 1 52 VAL CA 62.936 . 62.48 3.04 8.8076e-01 15152 1 1 1 1 52 VAL CB 30.796 . 32.66 1.91 3.2911e-01 15152 1 1 1 1 52 VAL CG1 20.160 . 21.38 1.53 4.2523e-01 15152 1 1 1 1 52 VAL CG2 22.561 . 21.31 1.76 4.7721e-01 15152 1 1 1 1 52 VAL H 8.980 . 8.29 0.71 3.3113e-01 15152 1 1 1 1 52 VAL HA 3.470 . 4.16 0.57 2.2608e-01 15152 1 1 1 1 52 VAL HB 2.244 . 1.99 0.33 4.4148e-01 15152 1 1 1 1 52 VAL HG1 0.495 . 0.84 0.27 2.0133e-01 15152 1 1 1 1 52 VAL HG2 0.710 . 0.83 0.29 6.7903e-01 15152 1 1 1 1 52 VAL N 125.275 . 121.02 4.96 3.9097e-01 15152 1 1 1 1 53 GLY C 183.634 M 174.04 1.94 7.6003e-07 15152 1 1 1 1 53 GLY CA 45.670 . 45.33 1.42 8.1077e-01 15152 1 1 1 1 53 GLY H 8.346 . 8.34 0.74 9.9353e-01 15152 1 1 1 1 53 GLY HA2 3.690 . 3.95 0.4 5.1569e-01 15152 1 1 1 1 53 GLY HA3 4.110 . 3.93 0.4 6.5271e-01 15152 1 1 1 1 53 GLY N 104.600 . 109.91 4.29 2.1580e-01 15152 1 1 1 1 54 PHE C 182.978 M 175.49 2.13 4.3894e-04 15152 1 1 1 1 54 PHE CA 57.620 . 58.25 2.73 8.1749e-01 15152 1 1 1 1 54 PHE CB 42.748 . 39.95 2.04 1.7020e-01 15152 1 1 1 1 54 PHE CD1 131.899 . 131.38 1.38 7.0685e-01 15152 1 1 1 1 54 PHE CE1 131.899 . 130.48 1.29 2.7133e-01 15152 1 1 1 1 54 PHE H 8.589 . 8.42 0.74 8.1935e-01 15152 1 1 1 1 54 PHE HA 5.100 . 4.62 0.58 4.0791e-01 15152 1 1 1 1 54 PHE HB2 3.000 . 2.99 0.37 9.7844e-01 15152 1 1 1 1 54 PHE HB3 3.170 . 2.97 0.38 5.9867e-01 15152 1 1 1 1 54 PHE HD1 7.407 . 6.91 0.82 5.4445e-01 15152 1 1 1 1 54 PHE HE1 7.342 . 6.95 0.82 6.3262e-01 15152 1 1 1 1 54 PHE N 121.140 . 120.69 4.18 9.1427e-01 15152 1 1 1 1 57 SER C 185.136 M 174.53 1.73 8.7529e-10 15152 1 1 1 1 57 SER CA 57.358 . 58.57 2.12 5.6753e-01 15152 1 1 1 1 57 SER CB 64.530 . 63.8 1.57 6.4195e-01 15152 1 1 1 1 57 SER H 7.187 . 8.29 0.62 7.5235e-02 15152 1 1 1 1 57 SER HA 4.440 . 4.51 0.43 8.7068e-01 15152 1 1 1 1 57 SER HB2 3.830 . 3.88 0.29 8.6311e-01 15152 1 1 1 1 57 SER HB3 3.738 . 3.87 0.31 6.7025e-01 15152 1 1 1 1 57 SER N 108.565 . 116.3 3.95 5.0203e-02 15152 1 1 1 1 59 ILE C 183.567 M 175.82 1.95 7.1027e-05 15152 1 1 1 1 59 ILE CA 59.250 . 61.59 2.78 3.9994e-01 15152 1 1 1 1 59 ILE CB 41.420 . 38.58 2.09 1.7419e-01 15152 1 1 1 1 59 ILE CG1 26.014 . 27.65 2.32 4.8070e-01 15152 1 1 1 1 59 ILE CG2 18.040 . 17.36 1.6 6.7084e-01 15152 1 1 1 1 59 ILE CD1 13.530 . 13.41 1.91 9.4990e-01 15152 1 1 1 1 59 ILE H 8.575 . 8.26 0.71 6.5729e-01 15152 1 1 1 1 59 ILE HA 4.830 . 4.2 0.56 2.6059e-01 15152 1 1 1 1 59 ILE HB 1.920 . 1.8 0.31 6.9868e-01 15152 1 1 1 1 59 ILE HG2 0.763 . 0.8 0.29 8.9848e-01 15152 1 1 1 1 59 ILE HG12 0.767 . 1.3 0.4 1.8270e-01 15152 1 1 1 1 59 ILE HG13 1.370 . 1.24 0.4 7.4518e-01 15152 1 1 1 1 59 ILE HD1 0.646 . 0.7 0.3 8.5715e-01 15152 1 1 1 1 59 ILE N 123.518 . 121.6 4.72 6.8448e-01 15152 1 1 1 1 60 ASN C 182.397 M 175.16 1.76 3.9236e-05 15152 1 1 1 1 60 ASN CA 52.280 . 53.43 1.94 5.5333e-01 15152 1 1 1 1 60 ASN CB 39.560 . 38.66 1.78 6.1312e-01 15152 1 1 1 1 60 ASN H 8.745 . 8.37 0.65 5.6399e-01 15152 1 1 1 1 60 ASN HA 4.856 . 4.7 0.39 6.8916e-01 15152 1 1 1 1 60 ASN HB2 2.890 . 2.8 0.34 7.9124e-01 15152 1 1 1 1 60 ASN HB3 3.125 . 2.78 0.34 3.1025e-01 15152 1 1 1 1 60 ASN HD21 6.951 . 7.27 0.52 5.3957e-01 15152 1 1 1 1 60 ASN HD22 7.649 . 7.2 0.52 3.8788e-01 15152 1 1 1 1 60 ASN N 119.720 . 119.13 4.42 8.9381e-01 15152 1 1 1 1 60 ASN ND2 113.890 . 112.83 2.6 6.8350e-01 15152 1 1 1 1 65 ARG C 184.234 M 176.49 2.16 3.3684e-04 15152 1 1 1 1 65 ARG CA 58.950 . 56.95 2.41 4.0661e-01 15152 1 1 1 1 65 ARG CB 29.467 . 30.66 1.77 5.0030e-01 15152 1 1 1 1 65 ARG CG 27.077 . 27.31 1.65 8.8770e-01 15152 1 1 1 1 65 ARG CD 43.150 . 43.1 1.1 9.6375e-01 15152 1 1 1 1 65 ARG H 7.928 . 8.24 0.6 6.0306e-01 15152 1 1 1 1 65 ARG HA 3.740 . 4.27 0.44 2.2838e-01 15152 1 1 1 1 65 ARG HB2 1.773 . 1.79 0.28 9.5159e-01 15152 1 1 1 1 65 ARG HB3 1.842 . 1.78 0.28 8.2476e-01 15152 1 1 1 1 65 ARG HG2 1.500 . 1.58 0.27 7.6700e-01 15152 1 1 1 1 65 ARG HG3 1.600 . 1.58 0.27 9.4095e-01 15152 1 1 1 1 65 ARG HD2 3.105 . 3.13 0.23 9.1344e-01 15152 1 1 1 1 65 ARG HD3 3.105 . 3.13 0.22 9.0953e-01 15152 1 1 1 1 65 ARG HE 7.383 . 7.32 0.52 9.0357e-01 15152 1 1 1 1 65 ARG N 118.138 . 120.61 3.9 5.2618e-01 15152 1 1 1 1 65 ARG NE 114.965 . 89.8 12.83 4.9830e-02 15152 1 1 1 1 67 THR C 181.650 M 174.6 1.8 8.9782e-05 15152 1 1 1 1 67 THR CA 66.654 . 62.15 2.72 9.7746e-02 15152 1 1 1 1 67 THR CB 68.510 . 69.64 1.7 5.0624e-01 15152 1 1 1 1 67 THR CG2 21.764 . 21.44 1.39 8.1569e-01 15152 1 1 1 1 67 THR H 8.263 . 8.27 0.62 9.9099e-01 15152 1 1 1 1 67 THR HA 3.990 . 4.48 0.5 3.2709e-01 15152 1 1 1 1 67 THR HB 4.183 . 4.17 0.37 9.7197e-01 15152 1 1 1 1 67 THR HG2 1.190 . 1.16 0.28 9.1468e-01 15152 1 1 1 1 67 THR N 118.760 . 115.7 5.05 5.4455e-01 15152 1 1 1 1 75 PHE C 182.078 M 175.49 2.13 1.9817e-03 15152 1 1 1 1 75 PHE CA 57.960 . 58.25 2.73 9.1540e-01 15152 1 1 1 1 75 PHE CB 39.560 . 39.95 2.04 8.4839e-01 15152 1 1 1 1 75 PHE CD1 131.780 . 131.38 1.38 7.7193e-01 15152 1 1 1 1 75 PHE CE1 131.899 . 130.48 1.29 2.7133e-01 15152 1 1 1 1 75 PHE H 8.114 . 8.42 0.74 6.7923e-01 15152 1 1 1 1 75 PHE HA 4.656 . 4.62 0.58 9.5051e-01 15152 1 1 1 1 75 PHE HB2 3.030 . 2.99 0.37 9.1391e-01 15152 1 1 1 1 75 PHE HB3 3.240 . 2.97 0.38 4.7738e-01 15152 1 1 1 1 75 PHE HD1 7.292 . 6.91 0.82 6.4132e-01 15152 1 1 1 1 75 PHE HE1 7.356 . 6.95 0.82 6.2051e-01 15152 1 1 1 1 75 PHE N 120.460 . 120.69 4.18 9.5612e-01 15152 1 1 1 1 76 ASP C 181.967 M 176.41 1.77 1.6921e-03 15152 1 1 1 1 76 ASP CA 54.436 . 54.52 2.1 9.6809e-01 15152 1 1 1 1 76 ASP CB 41.420 . 40.7 1.67 6.6637e-01 15152 1 1 1 1 76 ASP H 8.257 . 8.33 0.57 8.9809e-01 15152 1 1 1 1 76 ASP HA 4.636 . 4.61 0.31 9.3316e-01 15152 1 1 1 1 76 ASP HB2 2.712 . 2.74 0.29 9.2308e-01 15152 1 1 1 1 76 ASP HB3 2.600 . 2.7 0.29 7.3022e-01 15152 1 1 1 1 76 ASP N 121.080 . 120.73 4.2 9.3359e-01 15152 1 1 1 1 77 VAL C 181.709 M 175.69 2.03 3.0266e-03 15152 1 1 1 1 77 VAL CA 61.610 . 62.48 3.04 7.7474e-01 15152 1 1 1 1 77 VAL CB 33.452 . 32.66 1.91 6.7839e-01 15152 1 1 1 1 77 VAL CG1 20.702 . 21.38 1.53 6.5767e-01 15152 1 1 1 1 77 VAL CG2 21.230 . 21.31 1.76 9.6375e-01 15152 1 1 1 1 77 VAL H 7.858 . 8.29 0.71 5.4289e-01 15152 1 1 1 1 77 VAL HA 4.220 . 4.16 0.57 9.1617e-01 15152 1 1 1 1 77 VAL HB 2.111 . 1.99 0.33 7.1387e-01 15152 1 1 1 1 77 VAL HG1 0.935 . 0.84 0.27 7.2495e-01 15152 1 1 1 1 77 VAL HG2 0.940 . 0.83 0.29 7.0446e-01 15152 1 1 1 1 77 VAL N 118.420 . 121.02 4.96 6.0014e-01 15152 1 1 1 1 82 GLY C 183.069 M 174.04 1.94 3.2536e-06 15152 1 1 1 1 82 GLY CA 46.200 . 45.33 1.42 5.4009e-01 15152 1 1 1 1 82 GLY H 8.530 . 8.34 0.74 7.9737e-01 15152 1 1 1 1 82 GLY HA2 3.767 . 3.95 0.4 6.4731e-01 15152 1 1 1 1 82 GLY HA3 3.929 . 3.93 0.4 9.9801e-01 15152 1 1 1 1 82 GLY N 110.550 . 109.91 4.29 8.8141e-01 15152 1 1 1 1 86 TYR C 181.109 M 175.39 1.89 2.4787e-03 15152 1 1 1 1 86 TYR CA 57.650 . 58.02 2.64 8.8854e-01 15152 1 1 1 1 86 TYR CB 38.760 . 39.16 2.23 8.5765e-01 15152 1 1 1 1 86 TYR CD1 133.530 . 132.54 1.35 4.6336e-01 15152 1 1 1 1 86 TYR CE1 118.188 . 117.81 2.09 8.5648e-01 15152 1 1 1 1 86 TYR H 8.087 . 8.37 0.75 7.0593e-01 15152 1 1 1 1 86 TYR HA 4.660 . 4.63 0.56 9.5728e-01 15152 1 1 1 1 86 TYR HB2 2.920 . 2.91 0.37 9.7844e-01 15152 1 1 1 1 86 TYR HB3 3.170 . 2.91 0.37 4.8224e-01 15152 1 1 1 1 86 TYR HD1 7.138 . 6.87 0.65 6.8011e-01 15152 1 1 1 1 86 TYR HE1 6.800 . 6.64 0.58 7.8265e-01 15152 1 1 1 1 86 TYR N 119.040 . 120.79 4.69 7.0905e-01 15152 1 1 1 1 87 GLY C 183.936 M 174.04 1.94 3.3781e-07 15152 1 1 1 1 87 GLY CA 45.670 . 45.33 1.42 8.1077e-01 15152 1 1 1 1 87 GLY H 8.081 . 8.34 0.74 7.2634e-01 15152 1 1 1 1 87 GLY HA2 3.971 . 3.95 0.4 9.5813e-01 15152 1 1 1 1 87 GLY HA3 3.931 . 3.93 0.4 9.9801e-01 15152 1 1 1 1 87 GLY N 110.550 . 109.91 4.29 8.8141e-01 15152 1 1 1 1 89 GLU C 182.213 M 176.93 2.11 1.2287e-02 15152 1 1 1 1 89 GLU CA 56.290 . 57.42 2.19 6.0587e-01 15152 1 1 1 1 89 GLU CB 30.796 . 30.07 1.84 6.9316e-01 15152 1 1 1 1 89 GLU CG 36.500 . 36.01 1.51 7.4556e-01 15152 1 1 1 1 89 GLU H 8.554 . 8.34 0.61 7.2572e-01 15152 1 1 1 1 89 GLU HA 4.300 . 4.26 0.43 9.2589e-01 15152 1 1 1 1 89 GLU HB2 1.925 . 2.04 0.22 6.0116e-01 15152 1 1 1 1 89 GLU HB3 2.076 . 2.04 0.23 8.7562e-01 15152 1 1 1 1 89 GLU HG2 2.270 . 2.31 0.21 8.4894e-01 15152 1 1 1 1 89 GLU HG3 2.270 . 2.31 0.21 8.4894e-01 15152 1 1 1 1 89 GLU N 123.630 . 120.68 3.68 4.2277e-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 15152 1 1 1 1 2 CYS ILE 0.88 15152 1 1 1 1 2 CYS CYS 0.07 15152 1 1 1 1 2 CYS VAL 0.01 15152 1 1 1 1 2 CYS PHE 0.01 15152 1 1 1 1 3 ILE ILE 0.66 15152 1 1 1 1 3 ILE CYS 0.32 15152 1 1 1 1 4 GLY ARG 0.32 15152 1 1 1 1 4 GLY LEU 0.27 15152 1 1 1 1 4 GLY GLY 0.17 15152 1 1 1 1 4 GLY CYS 0.09 15152 1 1 1 1 4 GLY ASP 0.03 15152 1 1 1 1 4 GLY PHE 0.03 15152 1 1 1 1 4 GLY LYS 0.02 15152 1 1 1 1 4 GLY TYR 0.02 15152 1 1 1 1 7 GLY GLY 0.81 15152 1 1 1 1 7 GLY CYS 0.09 15152 1 1 1 1 7 GLY LEU 0.06 15152 1 1 1 1 7 GLY ARG 0.01 15152 1 1 1 1 8 GLN CYS 0.26 15152 1 1 1 1 8 GLN LYS 0.25 15152 1 1 1 1 8 GLN GLN 0.21 15152 1 1 1 1 8 GLN MET 0.14 15152 1 1 1 1 8 GLN ARG 0.09 15152 1 1 1 1 8 GLN GLU 0.02 15152 1 1 1 1 10 ARG CYS 0.34 15152 1 1 1 1 10 ARG ARG 0.33 15152 1 1 1 1 10 ARG LYS 0.3 15152 1 1 1 1 10 ARG GLY 0.01 15152 1 1 1 1 11 THR THR 0.73 15152 1 1 1 1 11 THR CYS 0.26 15152 1 1 1 1 12 ILE CYS 0.49 15152 1 1 1 1 12 ILE ILE 0.46 15152 1 1 1 1 12 ILE GLY 0.03 15152 1 1 1 1 13 ASP LEU 0.25 15152 1 1 1 1 13 ASP ASP 0.25 15152 1 1 1 1 13 ASP LYS 0.11 15152 1 1 1 1 13 ASP CYS 0.1 15152 1 1 1 1 13 ASP ARG 0.1 15152 1 1 1 1 13 ASP ASN 0.06 15152 1 1 1 1 13 ASP PHE 0.04 15152 1 1 1 1 13 ASP TYR 0.03 15152 1 1 1 1 13 ASP GLY 0.01 15152 1 1 1 1 14 GLY GLY 0.7 15152 1 1 1 1 14 GLY CYS 0.21 15152 1 1 1 1 14 GLY LEU 0.03 15152 1 1 1 1 14 GLY ALA 0.01 15152 1 1 1 1 14 GLY PRO 0.01 15152 1 1 1 1 15 ASN ASN 0.45 15152 1 1 1 1 15 ASN ASP 0.21 15152 1 1 1 1 15 ASN CYS 0.14 15152 1 1 1 1 15 ASN TYR 0.06 15152 1 1 1 1 15 ASN PHE 0.06 15152 1 1 1 1 15 ASN LEU 0.04 15152 1 1 1 1 16 GLN MET 0.26 15152 1 1 1 1 16 GLN CYS 0.25 15152 1 1 1 1 16 GLN GLN 0.24 15152 1 1 1 1 16 GLN LYS 0.12 15152 1 1 1 1 16 GLN GLU 0.09 15152 1 1 1 1 16 GLN ARG 0.01 15152 1 1 1 1 18 LYS LYS 0.4 15152 1 1 1 1 18 LYS CYS 0.3 15152 1 1 1 1 18 LYS ARG 0.24 15152 1 1 1 1 18 LYS MET 0.03 15152 1 1 1 1 18 LYS GLY 0.01 15152 1 1 1 1 19 VAL CYS 0.69 15152 1 1 1 1 19 VAL VAL 0.28 15152 1 1 1 1 19 VAL ILE 0.01 15152 1 1 1 1 20 ASP LEU 0.24 15152 1 1 1 1 20 ASP ASP 0.21 15152 1 1 1 1 20 ASP LYS 0.16 15152 1 1 1 1 20 ASP CYS 0.1 15152 1 1 1 1 20 ASP ARG 0.09 15152 1 1 1 1 20 ASP PHE 0.06 15152 1 1 1 1 20 ASP TYR 0.05 15152 1 1 1 1 20 ASP ASN 0.04 15152 1 1 1 1 21 VAL VAL 0.66 15152 1 1 1 1 21 VAL CYS 0.33 15152 1 1 1 1 22 CYS ILE 0.34 15152 1 1 1 1 22 CYS CYS 0.16 15152 1 1 1 1 22 CYS ARG 0.14 15152 1 1 1 1 22 CYS LYS 0.08 15152 1 1 1 1 22 CYS PRO 0.06 15152 1 1 1 1 22 CYS TRP 0.05 15152 1 1 1 1 22 CYS LEU 0.04 15152 1 1 1 1 22 CYS GLN 0.04 15152 1 1 1 1 22 CYS HIS 0.02 15152 1 1 1 1 22 CYS GLU 0.02 15152 1 1 1 1 23 GLY GLY 0.8 15152 1 1 1 1 23 GLY CYS 0.08 15152 1 1 1 1 23 GLY LEU 0.07 15152 1 1 1 1 23 GLY ARG 0.01 15152 1 1 1 1 26 ARG CYS 0.38 15152 1 1 1 1 26 ARG ARG 0.28 15152 1 1 1 1 26 ARG LYS 0.27 15152 1 1 1 1 26 ARG GLY 0.05 15152 1 1 1 1 28 VAL CYS 0.87 15152 1 1 1 1 28 VAL VAL 0.11 15152 1 1 1 1 31 THR THR 0.99 15152 1 1 1 1 34 GLY GLY 0.38 15152 1 1 1 1 34 GLY LEU 0.22 15152 1 1 1 1 34 GLY ARG 0.2 15152 1 1 1 1 34 GLY CYS 0.1 15152 1 1 1 1 34 GLY PHE 0.02 15152 1 1 1 1 34 GLY ASP 0.02 15152 1 1 1 1 34 GLY TYR 0.01 15152 1 1 1 1 35 SER SER 0.99 15152 1 1 1 1 36 CYS MET 0.14 15152 1 1 1 1 36 CYS ARG 0.14 15152 1 1 1 1 36 CYS CYS 0.13 15152 1 1 1 1 36 CYS HIS 0.13 15152 1 1 1 1 36 CYS TRP 0.11 15152 1 1 1 1 36 CYS LYS 0.11 15152 1 1 1 1 36 CYS GLU 0.1 15152 1 1 1 1 36 CYS GLN 0.08 15152 1 1 1 1 36 CYS VAL 0.01 15152 1 1 1 1 39 ASN ASN 0.38 15152 1 1 1 1 39 ASN ASP 0.26 15152 1 1 1 1 39 ASN CYS 0.13 15152 1 1 1 1 39 ASN TYR 0.06 15152 1 1 1 1 39 ASN LEU 0.06 15152 1 1 1 1 39 ASN PHE 0.06 15152 1 1 1 1 40 GLY GLY 0.8 15152 1 1 1 1 40 GLY CYS 0.08 15152 1 1 1 1 40 GLY LEU 0.07 15152 1 1 1 1 40 GLY ARG 0.01 15152 1 1 1 1 43 ARG ARG 0.42 15152 1 1 1 1 43 ARG CYS 0.38 15152 1 1 1 1 43 ARG GLY 0.1 15152 1 1 1 1 43 ARG LYS 0.07 15152 1 1 1 1 43 ARG LEU 0.01 15152 1 1 1 1 45 GLY GLY 0.72 15152 1 1 1 1 45 GLY LEU 0.11 15152 1 1 1 1 45 GLY CYS 0.08 15152 1 1 1 1 45 GLY ARG 0.05 15152 1 1 1 1 46 GLN CYS 0.28 15152 1 1 1 1 46 GLN GLU 0.27 15152 1 1 1 1 46 GLN LYS 0.18 15152 1 1 1 1 46 GLN GLN 0.16 15152 1 1 1 1 46 GLN MET 0.04 15152 1 1 1 1 46 GLN ILE 0.03 15152 1 1 1 1 46 GLN ARG 0.01 15152 1 1 1 1 47 TRP TRP 0.48 15152 1 1 1 1 47 TRP CYS 0.48 15152 1 1 1 1 47 TRP HIS 0.03 15152 1 1 1 1 48 VAL CYS 0.75 15152 1 1 1 1 48 VAL ALA 0.14 15152 1 1 1 1 48 VAL ILE 0.08 15152 1 1 1 1 50 VAL VAL 0.71 15152 1 1 1 1 50 VAL CYS 0.28 15152 1 1 1 1 51 HIS CYS 0.49 15152 1 1 1 1 51 HIS TRP 0.24 15152 1 1 1 1 51 HIS HIS 0.23 15152 1 1 1 1 51 HIS TYR 0.02 15152 1 1 1 1 52 VAL VAL 0.74 15152 1 1 1 1 52 VAL CYS 0.25 15152 1 1 1 1 53 GLY GLY 0.8 15152 1 1 1 1 53 GLY CYS 0.08 15152 1 1 1 1 53 GLY LEU 0.07 15152 1 1 1 1 53 GLY ARG 0.01 15152 1 1 1 1 54 PHE TYR 0.36 15152 1 1 1 1 54 PHE PHE 0.31 15152 1 1 1 1 54 PHE CYS 0.27 15152 1 1 1 1 54 PHE GLY 0.04 15152 1 1 1 1 57 SER SER 0.99 15152 1 1 1 1 59 ILE ILE 0.56 15152 1 1 1 1 59 ILE CYS 0.41 15152 1 1 1 1 60 ASN ASN 0.42 15152 1 1 1 1 60 ASN ASP 0.26 15152 1 1 1 1 60 ASN CYS 0.13 15152 1 1 1 1 60 ASN LEU 0.05 15152 1 1 1 1 60 ASN TYR 0.05 15152 1 1 1 1 60 ASN PHE 0.05 15152 1 1 1 1 65 ARG ARG 0.44 15152 1 1 1 1 65 ARG CYS 0.35 15152 1 1 1 1 65 ARG LYS 0.1 15152 1 1 1 1 65 ARG GLY 0.06 15152 1 1 1 1 65 ARG LEU 0.03 15152 1 1 1 1 67 THR THR 0.98 15152 1 1 1 1 67 THR CYS 0.01 15152 1 1 1 1 75 PHE TYR 0.38 15152 1 1 1 1 75 PHE PHE 0.33 15152 1 1 1 1 75 PHE CYS 0.28 15152 1 1 1 1 76 ASP ASP 0.25 15152 1 1 1 1 76 ASP LEU 0.21 15152 1 1 1 1 76 ASP LYS 0.14 15152 1 1 1 1 76 ASP CYS 0.1 15152 1 1 1 1 76 ASP PHE 0.08 15152 1 1 1 1 76 ASP ASN 0.07 15152 1 1 1 1 76 ASP TYR 0.06 15152 1 1 1 1 76 ASP ARG 0.05 15152 1 1 1 1 77 VAL VAL 0.67 15152 1 1 1 1 77 VAL CYS 0.32 15152 1 1 1 1 82 GLY GLY 0.81 15152 1 1 1 1 82 GLY CYS 0.11 15152 1 1 1 1 82 GLY LEU 0.05 15152 1 1 1 1 86 TYR TYR 0.54 15152 1 1 1 1 86 TYR CYS 0.45 15152 1 1 1 1 87 GLY GLY 0.8 15152 1 1 1 1 87 GLY CYS 0.08 15152 1 1 1 1 87 GLY LEU 0.07 15152 1 1 1 1 87 GLY ARG 0.01 15152 1 1 1 1 89 GLU GLU 0.37 15152 1 1 1 1 89 GLU CYS 0.36 15152 1 1 1 1 89 GLU MET 0.13 15152 1 1 1 1 89 GLU LYS 0.04 15152 1 1 1 1 89 GLU ILE 0.03 15152 1 1 1 1 89 GLU GLN 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15152 _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 15152 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 15152 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15152 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15152 _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_