data_18713 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18713 _Entry.PDB_ID 2LY8 save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 18713 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ILE HA H 2 4.175 4.175 3.931 0.244 18713 2 1 1 . 1 1 2 2 ILE CA C 2 61.880 61.880 63.476 -1.596 18713 3 1 1 . 1 1 2 2 ILE CB C 2 37.770 37.770 38.002 -0.232 18713 4 1 1 . 1 1 3 3 SER N N 3 116.020 116.020 114.512 1.508 18713 5 1 1 . 1 1 3 3 SER HA H 3 4.435 4.435 4.320 0.115 18713 6 1 1 . 1 1 3 3 SER CA C 3 59.590 59.590 60.098 -0.508 18713 7 1 1 . 1 1 3 3 SER CB C 3 63.640 63.640 63.386 0.254 18713 8 1 1 . 1 1 3 3 SER H H 3 7.913 7.913 8.052 -0.139 18713 9 1 1 . 1 1 4 4 LYS N N 4 120.030 120.030 119.383 0.647 18713 10 1 1 . 1 1 4 4 LYS HA H 4 4.380 4.380 4.411 -0.031 18713 11 1 1 . 1 1 4 4 LYS CA C 4 56.150 56.150 55.685 0.465 18713 12 1 1 . 1 1 4 4 LYS CB C 4 32.850 32.850 34.434 -1.584 18713 13 1 1 . 1 1 4 4 LYS H H 4 7.979 7.979 7.534 0.445 18713 14 1 1 . 1 1 7 7 PHE HA H 7 4.023 4.023 4.137 -0.114 18713 15 1 1 . 1 1 7 7 PHE C C 7 176.700 176.700 176.524 0.176 18713 16 1 1 . 1 1 7 7 PHE CA C 7 63.150 63.150 60.713 2.437 18713 17 1 1 . 1 1 7 7 PHE CB C 7 39.880 39.880 38.594 1.286 18713 18 1 1 . 1 1 8 8 ALA N N 8 121.230 121.230 122.096 -0.866 18713 19 1 1 . 1 1 8 8 ALA HA H 8 3.920 3.920 3.699 0.221 18713 20 1 1 . 1 1 8 8 ALA C C 8 178.010 178.010 179.497 -1.487 18713 21 1 1 . 1 1 8 8 ALA CA C 8 55.630 55.630 55.105 0.525 18713 22 1 1 . 1 1 8 8 ALA CB C 8 17.750 17.750 18.141 -0.391 18713 23 1 1 . 1 1 8 8 ALA H H 8 8.715 8.715 7.896 0.819 18713 24 1 1 . 1 1 9 9 ARG N N 9 118.910 118.910 118.230 0.680 18713 25 1 1 . 1 1 9 9 ARG HA H 9 4.081 4.081 3.888 0.193 18713 26 1 1 . 1 1 9 9 ARG C C 9 177.790 177.790 178.882 -1.092 18713 27 1 1 . 1 1 9 9 ARG CA C 9 58.700 58.700 59.477 -0.777 18713 28 1 1 . 1 1 9 9 ARG CB C 9 30.120 30.120 30.143 -0.023 18713 29 1 1 . 1 1 9 9 ARG H H 9 7.618 7.618 7.522 0.096 18713 30 1 1 . 1 1 10 10 LEU N N 10 120.830 120.830 120.621 0.209 18713 31 1 1 . 1 1 10 10 LEU HA H 10 4.233 4.233 3.920 0.313 18713 32 1 1 . 1 1 10 10 LEU C C 10 177.780 177.780 178.754 -0.974 18713 33 1 1 . 1 1 10 10 LEU CA C 10 57.680 57.680 57.930 -0.250 18713 34 1 1 . 1 1 10 10 LEU CB C 10 41.680 41.680 41.774 -0.094 18713 35 1 1 . 1 1 10 10 LEU H H 10 7.752 7.752 8.219 -0.467 18713 36 1 1 . 1 1 11 11 VAL N N 11 117.150 117.150 119.261 -2.111 18713 37 1 1 . 1 1 11 11 VAL HA H 11 3.425 3.425 3.322 0.103 18713 38 1 1 . 1 1 11 11 VAL C C 11 177.830 177.830 178.099 -0.269 18713 39 1 1 . 1 1 11 11 VAL CA C 11 66.930 66.930 66.965 -0.035 18713 40 1 1 . 1 1 11 11 VAL CB C 11 31.520 31.520 31.141 0.379 18713 41 1 1 . 1 1 11 11 VAL H H 11 8.180 8.180 8.363 -0.183 18713 42 1 1 . 1 1 12 12 LYS N N 12 121.880 121.880 119.739 2.141 18713 43 1 1 . 1 1 12 12 LYS HA H 12 3.998 3.998 3.871 0.127 18713 44 1 1 . 1 1 12 12 LYS C C 12 176.790 176.790 178.815 -2.025 18713 45 1 1 . 1 1 12 12 LYS CA C 12 58.950 58.950 59.880 -0.930 18713 46 1 1 . 1 1 12 12 LYS CB C 12 32.120 32.120 31.874 0.246 18713 47 1 1 . 1 1 12 12 LYS H H 12 7.668 7.668 8.189 -0.521 18713 48 1 1 . 1 1 13 13 GLU N N 13 118.250 118.250 119.445 -1.195 18713 49 1 1 . 1 1 13 13 GLU HA H 13 4.085 4.085 3.894 0.191 18713 50 1 1 . 1 1 13 13 GLU C C 13 179.280 179.280 178.844 0.436 18713 51 1 1 . 1 1 13 13 GLU CA C 13 59.650 59.650 59.362 0.288 18713 52 1 1 . 1 1 13 13 GLU CB C 13 29.770 29.770 29.492 0.278 18713 53 1 1 . 1 1 13 13 GLU H H 13 8.149 8.149 8.020 0.129 18713 54 1 1 . 1 1 14 14 VAL N N 14 117.450 117.450 119.412 -1.962 18713 55 1 1 . 1 1 14 14 VAL HA H 14 4.007 4.007 3.454 0.553 18713 56 1 1 . 1 1 14 14 VAL C C 14 178.350 178.350 177.729 0.621 18713 57 1 1 . 1 1 14 14 VAL CA C 14 66.220 66.220 66.324 -0.104 18713 58 1 1 . 1 1 14 14 VAL CB C 14 31.250 31.250 31.063 0.187 18713 59 1 1 . 1 1 14 14 VAL H H 14 7.974 7.974 7.989 -0.015 18713 60 1 1 . 1 1 15 15 THR N N 15 113.780 113.780 116.806 -3.026 18713 61 1 1 . 1 1 15 15 THR HA H 15 3.771 3.771 3.510 0.261 18713 62 1 1 . 1 1 15 15 THR C C 15 178.190 178.190 176.082 2.108 18713 63 1 1 . 1 1 15 15 THR CA C 15 66.990 66.990 67.401 -0.411 18713 64 1 1 . 1 1 15 15 THR CB C 15 68.590 68.590 68.575 0.015 18713 65 1 1 . 1 1 15 15 THR H H 15 8.569 8.569 8.101 0.468 18713 66 1 1 . 1 1 16 16 ASP N N 16 123.420 123.420 121.382 2.038 18713 67 1 1 . 1 1 16 16 ASP HA H 16 4.545 4.545 4.348 0.197 18713 68 1 1 . 1 1 16 16 ASP C C 16 178.450 178.450 178.029 0.421 18713 69 1 1 . 1 1 16 16 ASP CA C 16 57.410 57.410 57.281 0.130 18713 70 1 1 . 1 1 16 16 ASP CB C 16 39.880 39.880 39.963 -0.083 18713 71 1 1 . 1 1 16 16 ASP H H 16 8.664 8.664 8.258 0.406 18713 72 1 1 . 1 1 17 17 GLU N N 17 120.180 120.180 118.198 1.982 18713 73 1 1 . 1 1 17 17 GLU HA H 17 4.089 4.089 4.093 -0.004 18713 74 1 1 . 1 1 17 17 GLU C C 17 178.220 178.220 179.734 -1.514 18713 75 1 1 . 1 1 17 17 GLU CA C 17 59.050 59.050 58.879 0.171 18713 76 1 1 . 1 1 17 17 GLU CB C 17 28.850 28.850 29.410 -0.560 18713 77 1 1 . 1 1 17 17 GLU H H 17 7.705 7.705 7.435 0.270 18713 78 1 1 . 1 1 18 18 PHE N N 18 117.450 117.450 118.642 -1.192 18713 79 1 1 . 1 1 18 18 PHE HA H 18 4.396 4.396 4.532 -0.136 18713 80 1 1 . 1 1 18 18 PHE C C 18 177.130 177.130 178.059 -0.929 18713 81 1 1 . 1 1 18 18 PHE CA C 18 60.720 60.720 58.196 2.524 18713 82 1 1 . 1 1 18 18 PHE CB C 18 39.880 39.880 38.209 1.671 18713 83 1 1 . 1 1 18 18 PHE H H 18 7.911 7.911 7.495 0.415 18713 84 1 1 . 1 1 19 19 THR N N 19 115.450 115.450 114.013 1.437 18713 85 1 1 . 1 1 19 19 THR HA H 19 4.510 4.510 4.371 0.139 18713 86 1 1 . 1 1 19 19 THR C C 19 175.160 175.160 174.930 0.230 18713 87 1 1 . 1 1 19 19 THR CA C 19 63.880 63.880 63.258 0.623 18713 88 1 1 . 1 1 19 19 THR CB C 19 69.450 69.450 68.664 0.786 18713 89 1 1 . 1 1 19 19 THR H H 19 8.270 8.270 8.699 -0.429 18713 90 1 1 . 1 1 20 20 THR N N 20 114.370 114.370 116.826 -2.456 18713 91 1 1 . 1 1 20 20 THR HA H 20 4.262 4.262 4.039 0.223 18713 92 1 1 . 1 1 20 20 THR C C 20 175.280 175.280 175.016 0.264 18713 93 1 1 . 1 1 20 20 THR CA C 20 63.850 63.850 64.950 -1.100 18713 94 1 1 . 1 1 20 20 THR CB C 20 69.250 69.250 68.534 0.716 18713 95 1 1 . 1 1 20 20 THR H H 20 7.974 7.974 7.501 0.473 18713 96 1 1 . 1 1 21 21 LYS N N 21 119.710 119.710 119.885 -0.175 18713 97 1 1 . 1 1 21 21 LYS HA H 21 4.291 4.291 4.263 0.028 18713 98 1 1 . 1 1 21 21 LYS C C 21 176.070 176.070 176.777 -0.707 18713 99 1 1 . 1 1 21 21 LYS CA C 21 57.180 57.180 56.478 0.702 18713 100 1 1 . 1 1 21 21 LYS CB C 21 32.830 32.830 31.883 0.947 18713 101 1 1 . 1 1 21 21 LYS H H 21 7.519 7.519 7.860 -0.341 18713 102 1 1 . 1 1 22 22 ASP N N 22 119.020 119.020 121.171 -2.151 18713 103 1 1 . 1 1 22 22 ASP HA H 22 4.730 4.730 4.603 0.127 18713 104 1 1 . 1 1 22 22 ASP C C 22 175.080 175.080 176.513 -1.433 18713 105 1 1 . 1 1 22 22 ASP CA C 22 53.770 53.770 53.719 0.051 18713 106 1 1 . 1 1 22 22 ASP CB C 22 39.990 39.990 39.346 0.644 18713 107 1 1 . 1 1 22 22 ASP H H 22 7.841 7.841 7.604 0.237 18713 108 1 1 . 1 1 23 23 GLN N N 23 120.720 120.720 117.977 2.743 18713 109 1 1 . 1 1 23 23 GLN HA H 23 4.425 4.425 4.144 0.281 18713 110 1 1 . 1 1 23 23 GLN C C 23 175.860 175.860 176.529 -0.669 18713 111 1 1 . 1 1 23 23 GLN CA C 23 57.530 57.530 58.071 -0.541 18713 112 1 1 . 1 1 23 23 GLN CB C 23 29.050 29.050 28.957 0.093 18713 113 1 1 . 1 1 23 23 GLN H H 23 8.313 8.313 8.452 -0.139 18713 114 1 1 . 1 1 24 24 ASP N N 24 119.150 119.150 114.340 4.810 18713 115 1 1 . 1 1 24 24 ASP HA H 24 4.655 4.655 4.741 -0.086 18713 116 1 1 . 1 1 24 24 ASP C C 24 174.840 174.840 174.413 0.427 18713 117 1 1 . 1 1 24 24 ASP CA C 24 54.560 54.560 53.889 0.671 18713 118 1 1 . 1 1 24 24 ASP CB C 24 41.290 41.290 42.758 -1.468 18713 119 1 1 . 1 1 24 24 ASP H H 24 8.313 8.313 8.183 0.130 18713 120 1 1 . 1 1 25 25 LEU N N 25 121.240 121.240 120.928 0.312 18713 121 1 1 . 1 1 25 25 LEU HA H 25 4.602 4.602 4.231 0.371 18713 122 1 1 . 1 1 25 25 LEU C C 25 176.550 176.550 176.739 -0.189 18713 123 1 1 . 1 1 25 25 LEU CA C 25 55.060 55.060 55.925 -0.865 18713 124 1 1 . 1 1 25 25 LEU CB C 25 43.520 43.520 42.738 0.782 18713 125 1 1 . 1 1 25 25 LEU H H 25 7.572 7.572 8.050 -0.478 18713 126 1 1 . 1 1 26 26 ARG N N 26 123.560 123.560 119.890 3.670 18713 127 1 1 . 1 1 26 26 ARG HA H 26 4.787 4.787 4.656 0.131 18713 128 1 1 . 1 1 26 26 ARG C C 26 174.040 174.040 174.506 -0.466 18713 129 1 1 . 1 1 26 26 ARG CA C 26 54.010 54.010 54.907 -0.897 18713 130 1 1 . 1 1 26 26 ARG CB C 26 33.170 33.170 33.298 -0.128 18713 131 1 1 . 1 1 26 26 ARG H H 26 8.385 8.385 8.413 -0.028 18713 132 1 1 . 1 1 27 27 TRP N N 27 121.230 121.230 125.872 -4.642 18713 133 1 1 . 1 1 27 27 TRP HA H 27 4.608 4.608 4.849 -0.241 18713 134 1 1 . 1 1 27 27 TRP C C 27 176.280 176.280 176.544 -0.264 18713 135 1 1 . 1 1 27 27 TRP CA C 27 56.110 56.110 57.128 -1.018 18713 136 1 1 . 1 1 27 27 TRP CB C 27 30.350 30.350 29.744 0.606 18713 137 1 1 . 1 1 27 27 TRP H H 27 8.824 8.824 8.797 0.027 18713 138 1 1 . 1 1 28 28 GLN N N 28 122.270 122.270 125.120 -2.850 18713 139 1 1 . 1 1 28 28 GLN HA H 28 4.163 4.163 4.613 -0.450 18713 140 1 1 . 1 1 28 28 GLN C C 28 176.280 176.280 177.222 -0.942 18713 141 1 1 . 1 1 28 28 GLN CA C 28 56.850 56.850 54.433 2.417 18713 142 1 1 . 1 1 28 28 GLN CB C 28 32.830 32.830 29.555 3.275 18713 143 1 1 . 1 1 28 28 GLN H H 28 8.427 8.427 7.921 0.506 18713 144 1 1 . 1 1 29 29 SER HA H 29 4.276 4.276 4.233 0.043 18713 145 1 1 . 1 1 29 29 SER CA C 29 63.180 63.180 61.975 1.205 18713 146 1 1 . 1 1 29 29 SER CB C 29 62.930 62.930 63.102 -0.172 18713 147 1 1 . 1 1 30 30 MET HA H 30 4.430 4.430 4.203 0.227 18713 148 1 1 . 1 1 30 30 MET C C 30 178.450 178.450 178.057 0.393 18713 149 1 1 . 1 1 30 30 MET CA C 30 57.760 57.760 57.773 -0.013 18713 150 1 1 . 1 1 30 30 MET CB C 30 32.120 32.120 31.237 0.883 18713 151 1 1 . 1 1 31 31 ALA N N 31 122.750 122.750 122.501 0.249 18713 152 1 1 . 1 1 31 31 ALA HA H 31 4.015 4.015 3.831 0.184 18713 153 1 1 . 1 1 31 31 ALA C C 31 178.090 178.090 179.895 -1.805 18713 154 1 1 . 1 1 31 31 ALA CA C 31 55.430 55.430 55.201 0.229 18713 155 1 1 . 1 1 31 31 ALA CB C 31 18.590 18.590 17.323 1.267 18713 156 1 1 . 1 1 31 31 ALA H H 31 7.619 7.619 8.380 -0.761 18713 157 1 1 . 1 1 32 32 ILE N N 32 117.950 117.950 118.287 -0.337 18713 158 1 1 . 1 1 32 32 ILE HA H 32 3.691 3.691 3.723 -0.032 18713 159 1 1 . 1 1 32 32 ILE C C 32 178.410 178.410 177.930 0.480 18713 160 1 1 . 1 1 32 32 ILE CA C 32 63.290 63.290 64.824 -1.534 18713 161 1 1 . 1 1 32 32 ILE CB C 32 36.120 36.120 37.829 -1.709 18713 162 1 1 . 1 1 32 32 ILE H H 32 7.503 7.503 7.265 0.238 18713 163 1 1 . 1 1 33 33 MET N N 33 118.790 118.790 118.430 0.360 18713 164 1 1 . 1 1 33 33 MET HA H 33 4.269 4.269 4.136 0.133 18713 165 1 1 . 1 1 33 33 MET C C 33 177.970 177.970 178.509 -0.539 18713 166 1 1 . 1 1 33 33 MET CA C 33 57.670 57.670 57.245 0.425 18713 167 1 1 . 1 1 33 33 MET CB C 33 32.040 32.040 30.952 1.088 18713 168 1 1 . 1 1 33 33 MET H H 33 8.034 8.034 7.746 0.288 18713 169 1 1 . 1 1 34 34 ALA N N 34 122.470 122.470 121.886 0.584 18713 170 1 1 . 1 1 34 34 ALA HA H 34 3.944 3.944 4.138 -0.194 18713 171 1 1 . 1 1 34 34 ALA C C 34 179.680 179.680 179.390 0.290 18713 172 1 1 . 1 1 34 34 ALA CA C 34 55.290 55.290 55.107 0.183 18713 173 1 1 . 1 1 34 34 ALA CB C 34 17.050 17.050 18.097 -1.047 18713 174 1 1 . 1 1 34 34 ALA H H 34 8.007 8.007 8.644 -0.637 18713 175 1 1 . 1 1 35 35 LEU N N 35 118.310 118.310 119.596 -1.286 18713 176 1 1 . 1 1 35 35 LEU HA H 35 3.945 3.945 4.037 -0.092 18713 177 1 1 . 1 1 35 35 LEU C C 35 179.630 179.630 179.337 0.293 18713 178 1 1 . 1 1 35 35 LEU CA C 35 57.880 57.880 58.418 -0.538 18713 179 1 1 . 1 1 35 35 LEU CB C 35 42.710 42.710 41.260 1.450 18713 180 1 1 . 1 1 35 35 LEU H H 35 8.003 8.003 7.650 0.353 18713 181 1 1 . 1 1 36 36 GLN N N 36 122.480 122.480 118.140 4.340 18713 182 1 1 . 1 1 36 36 GLN HA H 36 3.718 3.718 4.090 -0.372 18713 183 1 1 . 1 1 36 36 GLN C C 36 177.850 177.850 178.936 -1.086 18713 184 1 1 . 1 1 36 36 GLN CA C 36 60.150 60.150 58.949 1.201 18713 185 1 1 . 1 1 36 36 GLN CB C 36 28.150 28.150 28.135 0.015 18713 186 1 1 . 1 1 36 36 GLN H H 36 8.532 8.532 7.892 0.640 18713 187 1 1 . 1 1 37 37 GLU N N 37 120.790 120.790 120.393 0.397 18713 188 1 1 . 1 1 37 37 GLU HA H 37 4.043 4.043 4.385 -0.342 18713 189 1 1 . 1 1 37 37 GLU C C 37 179.190 179.190 179.114 0.076 18713 190 1 1 . 1 1 37 37 GLU CA C 37 59.650 59.650 59.073 0.577 18713 191 1 1 . 1 1 37 37 GLU CB C 37 28.120 28.120 29.547 -1.427 18713 192 1 1 . 1 1 37 37 GLU H H 37 8.562 8.562 8.527 0.035 18713 193 1 1 . 1 1 38 38 ALA N N 38 121.430 121.430 122.531 -1.101 18713 194 1 1 . 1 1 38 38 ALA HA H 38 4.228 4.228 4.022 0.205 18713 195 1 1 . 1 1 38 38 ALA C C 38 179.740 179.740 179.727 0.013 18713 196 1 1 . 1 1 38 38 ALA CA C 38 54.550 54.550 55.317 -0.767 18713 197 1 1 . 1 1 38 38 ALA CB C 38 19.050 19.050 18.194 0.856 18713 198 1 1 . 1 1 38 38 ALA H H 38 8.626 8.626 8.464 0.162 18713 199 1 1 . 1 1 39 39 SER N N 39 115.350 115.350 114.452 0.898 18713 200 1 1 . 1 1 39 39 SER HA H 39 4.159 4.159 4.241 -0.082 18713 201 1 1 . 1 1 39 39 SER C C 39 174.490 174.490 176.934 -2.444 18713 202 1 1 . 1 1 39 39 SER CA C 39 62.550 62.550 62.023 0.527 18713 203 1 1 . 1 1 39 39 SER CB C 39 64.580 64.580 63.324 1.256 18713 204 1 1 . 1 1 39 39 SER H H 39 8.160 8.160 8.188 -0.028 18713 205 1 1 . 1 1 40 40 GLU N N 40 123.380 123.380 120.654 2.726 18713 206 1 1 . 1 1 40 40 GLU HA H 40 3.545 3.545 4.179 -0.634 18713 207 1 1 . 1 1 40 40 GLU C C 40 177.080 177.080 178.609 -1.529 18713 208 1 1 . 1 1 40 40 GLU CA C 40 59.890 59.890 59.051 0.839 18713 209 1 1 . 1 1 40 40 GLU CB C 40 28.150 28.150 29.292 -1.142 18713 210 1 1 . 1 1 40 40 GLU H H 40 7.632 7.632 8.078 -0.446 18713 211 1 1 . 1 1 41 41 ALA N N 41 120.090 120.090 122.595 -2.505 18713 212 1 1 . 1 1 41 41 ALA HA H 41 4.007 4.007 4.049 -0.042 18713 213 1 1 . 1 1 41 41 ALA C C 41 180.370 180.370 179.437 0.933 18713 214 1 1 . 1 1 41 41 ALA CA C 41 54.930 54.930 54.711 0.220 18713 215 1 1 . 1 1 41 41 ALA CB C 41 18.150 18.150 17.953 0.197 18713 216 1 1 . 1 1 41 41 ALA H H 41 7.860 7.860 8.265 -0.405 18713 217 1 1 . 1 1 42 42 TYR N N 42 120.400 120.400 119.939 0.461 18713 218 1 1 . 1 1 42 42 TYR HA H 42 3.970 3.970 4.021 -0.051 18713 219 1 1 . 1 1 42 42 TYR C C 42 177.220 177.220 177.602 -0.382 18713 220 1 1 . 1 1 42 42 TYR CA C 42 60.350 60.350 62.010 -1.660 18713 221 1 1 . 1 1 42 42 TYR CB C 42 38.450 38.450 38.617 -0.167 18713 222 1 1 . 1 1 42 42 TYR H H 42 8.266 8.266 8.078 0.188 18713 223 1 1 . 1 1 43 43 LEU N N 43 119.630 119.630 119.360 0.270 18713 224 1 1 . 1 1 43 43 LEU HA H 43 3.812 3.812 3.897 -0.085 18713 225 1 1 . 1 1 43 43 LEU C C 43 177.790 177.790 178.777 -0.987 18713 226 1 1 . 1 1 43 43 LEU CA C 43 57.530 57.530 58.233 -0.703 18713 227 1 1 . 1 1 43 43 LEU CB C 43 41.990 41.990 41.845 0.145 18713 228 1 1 . 1 1 43 43 LEU H H 43 8.080 8.080 7.931 0.149 18713 229 1 1 . 1 1 44 44 VAL N N 44 118.320 118.320 118.793 -0.473 18713 230 1 1 . 1 1 44 44 VAL HA H 44 3.450 3.450 3.588 -0.138 18713 231 1 1 . 1 1 44 44 VAL C C 44 177.960 177.960 178.248 -0.288 18713 232 1 1 . 1 1 44 44 VAL CA C 44 67.150 67.150 66.921 0.229 18713 233 1 1 . 1 1 44 44 VAL CB C 44 31.250 31.250 30.707 0.543 18713 234 1 1 . 1 1 44 44 VAL H H 44 8.415 8.415 8.419 -0.004 18713 235 1 1 . 1 1 45 45 GLY N N 45 106.020 106.020 107.906 -1.886 18713 236 1 1 . 1 1 45 45 GLY C C 45 176.070 176.070 175.760 0.310 18713 237 1 1 . 1 1 45 45 GLY CA C 45 47.410 47.410 46.819 0.591 18713 238 1 1 . 1 1 45 45 GLY H H 45 7.747 7.747 8.046 -0.299 18713 239 1 1 . 1 1 46 46 LEU N N 46 122.340 122.340 123.814 -1.474 18713 240 1 1 . 1 1 46 46 LEU HA H 46 4.002 4.002 3.915 0.087 18713 241 1 1 . 1 1 46 46 LEU C C 46 179.520 179.520 178.528 0.992 18713 242 1 1 . 1 1 46 46 LEU CA C 46 57.410 57.410 57.118 0.292 18713 243 1 1 . 1 1 46 46 LEU CB C 46 42.350 42.350 41.919 0.431 18713 244 1 1 . 1 1 46 46 LEU H H 46 7.802 7.802 7.691 0.111 18713 245 1 1 . 1 1 47 47 LEU N N 47 118.450 118.450 120.995 -2.545 18713 246 1 1 . 1 1 47 47 LEU HA H 47 4.169 4.169 4.097 0.072 18713 247 1 1 . 1 1 47 47 LEU C C 47 178.210 178.210 178.820 -0.610 18713 248 1 1 . 1 1 47 47 LEU CA C 47 56.950 56.950 57.991 -1.041 18713 249 1 1 . 1 1 47 47 LEU CB C 47 41.850 41.850 41.415 0.435 18713 250 1 1 . 1 1 47 47 LEU H H 47 8.082 8.082 8.665 -0.583 18713 251 1 1 . 1 1 48 48 GLU N N 48 116.980 116.980 117.681 -0.701 18713 252 1 1 . 1 1 48 48 GLU HA H 48 4.142 4.142 3.956 0.186 18713 253 1 1 . 1 1 48 48 GLU C C 48 177.120 177.120 179.391 -2.271 18713 254 1 1 . 1 1 48 48 GLU CA C 48 57.450 57.450 59.464 -2.014 18713 255 1 1 . 1 1 48 48 GLU CB C 48 30.010 30.010 29.093 0.917 18713 256 1 1 . 1 1 48 48 GLU H H 48 7.870 7.870 8.568 -0.698 18713 257 1 1 . 1 1 49 49 HIS N N 49 114.660 114.660 118.275 -3.615 18713 258 1 1 . 1 1 49 49 HIS HA H 49 4.878 4.878 4.327 0.551 18713 259 1 1 . 1 1 49 49 HIS C C 49 174.070 174.070 177.861 -3.791 18713 260 1 1 . 1 1 49 49 HIS CA C 49 55.760 55.760 58.374 -2.614 18713 261 1 1 . 1 1 49 49 HIS CB C 49 29.880 29.880 30.052 -0.172 18713 262 1 1 . 1 1 49 49 HIS H H 49 7.833 7.833 8.059 -0.226 18713 263 1 1 . 1 1 50 50 THR N N 50 113.050 113.050 113.378 -0.328 18713 264 1 1 . 1 1 50 50 THR HA H 50 4.571 4.571 3.990 0.581 18713 265 1 1 . 1 1 50 50 THR C C 50 173.390 173.390 176.593 -3.203 18713 266 1 1 . 1 1 50 50 THR CA C 50 61.880 61.880 65.308 -3.428 18713 267 1 1 . 1 1 50 50 THR CB C 50 70.350 70.350 68.506 1.844 18713 268 1 1 . 1 1 50 50 THR H H 50 7.871 7.871 8.407 -0.536 18713 269 1 1 . 1 1 51 51 ASN N N 51 119.760 119.760 120.621 -0.861 18713 270 1 1 . 1 1 51 51 ASN HA H 51 4.868 4.868 4.506 0.362 18713 271 1 1 . 1 1 51 51 ASN C C 51 175.440 175.440 177.240 -1.800 18713 272 1 1 . 1 1 51 51 ASN CA C 51 52.870 52.870 55.875 -3.005 18713 273 1 1 . 1 1 51 51 ASN CB C 51 38.470 38.470 38.421 0.049 18713 274 1 1 . 1 1 51 51 ASN H H 51 8.477 8.477 7.837 0.640 18713 275 1 1 . 1 1 52 52 LEU N N 52 121.360 121.360 118.801 2.559 18713 276 1 1 . 1 1 52 52 LEU HA H 52 4.144 4.144 4.065 0.079 18713 277 1 1 . 1 1 52 52 LEU C C 52 177.440 177.440 179.308 -1.868 18713 278 1 1 . 1 1 52 52 LEU CA C 52 56.880 56.880 57.439 -0.559 18713 279 1 1 . 1 1 52 52 LEU CB C 52 42.240 42.240 41.914 0.326 18713 280 1 1 . 1 1 52 52 LEU H H 52 8.089 8.089 7.508 0.581 18713 281 1 1 . 1 1 53 53 LEU N N 53 119.350 119.350 120.098 -0.748 18713 282 1 1 . 1 1 53 53 LEU HA H 53 4.255 4.255 3.932 0.323 18713 283 1 1 . 1 1 53 53 LEU C C 53 177.360 177.360 178.377 -1.017 18713 284 1 1 . 1 1 53 53 LEU CA C 53 56.010 56.010 57.702 -1.692 18713 285 1 1 . 1 1 53 53 LEU CB C 53 41.770 41.770 41.061 0.709 18713 286 1 1 . 1 1 53 53 LEU H H 53 8.165 8.165 7.493 0.672 18713 287 1 1 . 1 1 54 54 ALA N N 54 122.310 122.310 120.343 1.967 18713 288 1 1 . 1 1 54 54 ALA HA H 54 4.222 4.222 4.271 -0.049 18713 289 1 1 . 1 1 54 54 ALA C C 54 177.620 177.620 179.150 -1.530 18713 290 1 1 . 1 1 54 54 ALA CA C 54 53.250 53.250 54.130 -0.880 18713 291 1 1 . 1 1 54 54 ALA CB C 54 18.820 18.820 18.521 0.299 18713 292 1 1 . 1 1 54 54 ALA H H 54 7.969 7.969 7.474 0.495 18713 293 1 1 . 1 1 55 55 LEU N N 55 117.930 117.930 117.271 0.659 18713 294 1 1 . 1 1 55 55 LEU HA H 55 4.233 4.233 3.992 0.241 18713 295 1 1 . 1 1 55 55 LEU C C 55 176.740 176.740 178.339 -1.599 18713 296 1 1 . 1 1 55 55 LEU CA C 55 55.420 55.420 57.184 -1.764 18713 297 1 1 . 1 1 55 55 LEU CB C 55 42.350 42.350 42.265 0.085 18713 298 1 1 . 1 1 55 55 LEU H H 55 7.696 7.696 7.714 -0.018 18713 299 1 1 . 1 1 56 56 HIS N N 56 117.120 117.120 114.352 2.768 18713 300 1 1 . 1 1 56 56 HIS HA H 56 4.665 4.665 4.627 0.038 18713 301 1 1 . 1 1 56 56 HIS C C 56 174.150 174.150 174.706 -0.556 18713 302 1 1 . 1 1 56 56 HIS CA C 56 55.420 55.420 56.306 -0.886 18713 303 1 1 . 1 1 56 56 HIS CB C 56 29.250 29.250 33.309 -4.059 18713 304 1 1 . 1 1 56 56 HIS H H 56 8.196 8.196 7.724 0.472 18713 305 1 1 . 1 1 57 57 LEU N N 57 120.690 120.690 121.652 -0.962 18713 306 1 1 . 1 1 57 57 LEU HA H 57 4.414 4.414 4.611 -0.197 18713 307 1 1 . 1 1 57 57 LEU C C 57 175.760 175.760 175.374 0.386 18713 308 1 1 . 1 1 57 57 LEU CA C 57 55.410 55.410 54.150 1.260 18713 309 1 1 . 1 1 57 57 LEU CB C 57 42.470 42.470 44.319 -1.849 18713 310 1 1 . 1 1 57 57 LEU H H 57 7.989 7.989 8.318 -0.329 18713 311 1 1 . 1 1 58 58 VAL N N 58 119.740 119.740 121.159 -1.419 18713 312 1 1 . 1 1 58 58 VAL HA H 58 4.485 4.485 4.471 0.014 18713 313 1 1 . 1 1 58 58 VAL C C 58 173.880 173.880 173.924 -0.044 18713 314 1 1 . 1 1 58 58 VAL CA C 58 59.520 59.520 58.351 1.169 18713 315 1 1 . 1 1 58 58 VAL CB C 58 32.710 32.710 33.768 -1.058 18713 316 1 1 . 1 1 58 58 VAL H H 58 7.848 7.848 8.344 -0.496 18713 317 1 1 . 1 1 59 59 PRO HA H 59 4.449 4.449 4.477 -0.028 18713 318 1 1 . 1 1 59 59 PRO C C 59 174.250 174.250 176.621 -2.371 18713 319 1 1 . 1 1 59 59 PRO CA C 59 63.200 63.200 63.100 0.100 18713 320 1 1 . 1 1 59 59 PRO CB C 59 32.120 32.120 32.273 -0.152 18713 321 1 1 . 1 1 60 60 ARG N N 60 121.450 121.450 124.826 -3.376 18713 322 1 1 . 1 1 60 60 ARG HA H 60 4.335 4.335 4.309 0.026 18713 323 1 1 . 1 1 60 60 ARG C C 60 176.620 176.620 177.220 -0.600 18713 324 1 1 . 1 1 60 60 ARG CA C 60 56.460 56.460 55.911 0.548 18713 325 1 1 . 1 1 60 60 ARG CB C 60 30.720 30.720 29.430 1.290 18713 326 1 1 . 1 1 60 60 ARG H H 60 8.397 8.397 8.590 -0.193 18713 327 1 1 . 1 1 61 61 GLY N N 61 110.770 110.770 111.137 -0.367 18713 328 1 1 . 1 1 61 61 GLY C C 61 174.090 174.090 174.166 -0.076 18713 329 1 1 . 1 1 61 61 GLY CA C 61 45.650 45.650 45.717 -0.066 18713 330 1 1 . 1 1 61 61 GLY H H 61 8.541 8.541 7.958 0.583 18713 331 1 1 . 1 1 62 62 SER N N 62 115.890 115.890 114.859 1.031 18713 332 1 1 . 1 1 62 62 SER HA H 62 4.470 4.470 4.531 -0.061 18713 333 1 1 . 1 1 62 62 SER C C 62 174.270 174.270 174.416 -0.146 18713 334 1 1 . 1 1 62 62 SER CA C 62 58.750 58.750 58.386 0.364 18713 335 1 1 . 1 1 62 62 SER CB C 62 64.100 64.100 64.058 0.042 18713 336 1 1 . 1 1 62 62 SER H H 62 8.145 8.145 7.868 0.277 18713 337 1 1 . 1 1 63 63 LYS N N 63 122.680 122.680 119.414 3.266 18713 338 1 1 . 1 1 63 63 LYS HA H 63 4.372 4.372 3.997 0.375 18713 339 1 1 . 1 1 63 63 LYS C C 63 175.950 175.950 176.194 -0.244 18713 340 1 1 . 1 1 63 63 LYS CA C 63 56.120 56.120 57.126 -1.006 18713 341 1 1 . 1 1 63 63 LYS CB C 63 32.830 32.830 30.999 1.831 18713 342 1 1 . 1 1 63 63 LYS H H 63 8.336 8.336 8.643 -0.307 18713 343 1 1 . 1 1 64 64 ARG N N 64 120.930 120.930 119.373 1.557 18713 344 1 1 . 1 1 64 64 ARG HA H 64 4.395 4.395 4.184 0.211 18713 345 1 1 . 1 1 64 64 ARG C C 64 175.550 175.550 175.536 0.014 18713 346 1 1 . 1 1 64 64 ARG CA C 64 56.350 56.350 56.370 -0.021 18713 347 1 1 . 1 1 64 64 ARG CB C 64 30.950 30.950 29.237 1.713 18713 348 1 1 . 1 1 64 64 ARG H H 64 8.187 8.187 8.508 -0.321 18713 349 1 1 . 1 1 65 65 ILE N N 65 121.120 121.120 124.152 -3.032 18713 350 1 1 . 1 1 65 65 ILE HA H 65 4.255 4.255 4.294 -0.039 18713 351 1 1 . 1 1 65 65 ILE C C 65 175.880 175.880 175.253 0.627 18713 352 1 1 . 1 1 65 65 ILE CA C 65 61.170 61.170 61.159 0.011 18713 353 1 1 . 1 1 65 65 ILE CB C 65 38.820 38.820 38.595 0.225 18713 354 1 1 . 1 1 65 65 ILE H H 65 8.165 8.165 8.572 -0.407 18713 355 1 1 . 1 1 66 66 SER N N 66 120.720 120.720 123.754 -3.034 18713 356 1 1 . 1 1 66 66 SER HA H 66 4.511 4.511 4.567 -0.056 18713 357 1 1 . 1 1 66 66 SER C C 66 174.490 174.490 174.717 -0.227 18713 358 1 1 . 1 1 66 66 SER CA C 66 58.580 58.580 57.707 0.873 18713 359 1 1 . 1 1 66 66 SER CB C 66 64.110 64.110 63.644 0.466 18713 360 1 1 . 1 1 66 66 SER H H 66 8.346 8.346 8.816 -0.470 18713 361 1 1 . 1 1 67 67 GLY N N 67 110.050 110.050 111.312 -1.262 18713 362 1 1 . 1 1 67 67 GLY C C 67 175.840 175.840 173.519 2.321 18713 363 1 1 . 1 1 67 67 GLY CA C 67 45.480 45.480 45.196 0.284 18713 364 1 1 . 1 1 67 67 GLY H H 67 8.275 8.275 8.451 -0.176 18713 365 1 1 . 1 1 68 68 LEU N N 68 120.990 120.990 117.238 3.752 18713 366 1 1 . 1 1 68 68 LEU HA H 68 4.492 4.492 3.980 0.512 18713 367 1 1 . 1 1 68 68 LEU C C 68 177.450 177.450 177.691 -0.241 18713 368 1 1 . 1 1 68 68 LEU CA C 68 55.410 55.410 55.050 0.360 18713 369 1 1 . 1 1 68 68 LEU CB C 68 42.710 42.710 39.999 2.711 18713 370 1 1 . 1 1 68 68 LEU H H 68 8.057 8.057 7.930 0.127 18713 371 1 1 . 1 1 70 70 TYR HA H 70 4.039 4.039 4.122 -0.083 18713 372 1 1 . 1 1 70 70 TYR CA C 70 61.650 61.650 62.338 -0.688 18713 373 1 1 . 1 1 70 70 TYR CB C 70 38.250 38.250 37.324 0.926 18713 374 1 1 . 1 1 71 71 GLU N N 71 117.580 117.580 119.527 -1.947 18713 375 1 1 . 1 1 71 71 GLU HA H 71 4.173 4.173 4.093 0.080 18713 376 1 1 . 1 1 71 71 GLU CA C 71 60.120 60.120 59.708 0.412 18713 377 1 1 . 1 1 71 71 GLU CB C 71 29.080 29.080 28.871 0.209 18713 378 1 1 . 1 1 71 71 GLU H H 71 8.999 8.999 8.746 0.253 18713 379 1 1 . 1 1 72 72 GLU N N 72 119.620 119.620 120.174 -0.554 18713 380 1 1 . 1 1 72 72 GLU HA H 72 4.165 4.165 4.059 0.106 18713 381 1 1 . 1 1 72 72 GLU C C 72 178.090 178.090 179.465 -1.375 18713 382 1 1 . 1 1 72 72 GLU CA C 72 58.350 58.350 59.443 -1.093 18713 383 1 1 . 1 1 72 72 GLU CB C 72 29.880 29.880 29.744 0.136 18713 384 1 1 . 1 1 72 72 GLU H H 72 7.760 7.760 8.375 -0.615 18713 385 1 1 . 1 1 73 73 VAL N N 73 117.510 117.510 119.031 -1.521 18713 386 1 1 . 1 1 73 73 VAL HA H 73 3.757 3.757 3.705 0.052 18713 387 1 1 . 1 1 73 73 VAL C C 73 176.620 176.620 178.369 -1.749 18713 388 1 1 . 1 1 73 73 VAL CA C 73 65.450 65.450 66.474 -1.024 18713 389 1 1 . 1 1 73 73 VAL CB C 73 31.540 31.540 31.172 0.368 18713 390 1 1 . 1 1 73 73 VAL H H 73 7.869 7.869 8.610 -0.741 18713 391 1 1 . 1 1 74 74 ARG N N 74 120.440 120.440 119.873 0.567 18713 392 1 1 . 1 1 74 74 ARG HA H 74 3.649 3.649 4.019 -0.370 18713 393 1 1 . 1 1 74 74 ARG C C 74 176.860 176.860 178.614 -1.754 18713 394 1 1 . 1 1 74 74 ARG CA C 74 59.950 59.950 60.011 -0.061 18713 395 1 1 . 1 1 74 74 ARG CB C 74 30.070 30.070 30.064 0.006 18713 396 1 1 . 1 1 74 74 ARG H H 74 8.335 8.335 8.409 -0.074 18713 397 1 1 . 1 1 75 75 ALA N N 75 119.490 119.490 122.238 -2.748 18713 398 1 1 . 1 1 75 75 ALA HA H 75 4.157 4.157 4.105 0.052 18713 399 1 1 . 1 1 75 75 ALA C C 75 180.380 180.380 179.603 0.777 18713 400 1 1 . 1 1 75 75 ALA CA C 75 55.540 55.540 55.272 0.268 18713 401 1 1 . 1 1 75 75 ALA CB C 75 18.320 18.320 18.333 -0.013 18713 402 1 1 . 1 1 75 75 ALA H H 75 7.725 7.725 8.525 -0.800 18713 403 1 1 . 1 1 76 76 VAL N N 76 116.910 116.910 119.091 -2.181 18713 404 1 1 . 1 1 76 76 VAL HA H 76 4.125 4.125 3.757 0.368 18713 405 1 1 . 1 1 76 76 VAL C C 76 178.340 178.340 178.102 0.238 18713 406 1 1 . 1 1 76 76 VAL CA C 76 64.950 64.950 66.782 -1.832 18713 407 1 1 . 1 1 76 76 VAL CB C 76 31.820 31.820 31.351 0.469 18713 408 1 1 . 1 1 76 76 VAL H H 76 7.814 7.814 8.206 -0.392 18713 409 1 1 . 1 1 77 77 LEU N N 77 121.020 121.020 120.490 0.530 18713 410 1 1 . 1 1 77 77 LEU HA H 77 4.425 4.425 3.957 0.468 18713 411 1 1 . 1 1 77 77 LEU C C 77 177.930 177.930 178.625 -0.695 18713 412 1 1 . 1 1 77 77 LEU CA C 77 57.250 57.250 58.325 -1.075 18713 413 1 1 . 1 1 77 77 LEU CB C 77 43.010 43.010 41.340 1.670 18713 414 1 1 . 1 1 77 77 LEU H H 77 8.389 8.389 8.219 0.170 18713 415 1 1 . 1 1 78 78 LYS N N 78 120.530 120.530 120.381 0.149 18713 416 1 1 . 1 1 78 78 LYS HA H 78 3.907 3.907 4.050 -0.143 18713 417 1 1 . 1 1 78 78 LYS C C 78 177.320 177.320 178.510 -1.190 18713 418 1 1 . 1 1 78 78 LYS CA C 78 61.350 61.350 60.555 0.795 18713 419 1 1 . 1 1 78 78 LYS CB C 78 32.450 32.450 32.171 0.279 18713 420 1 1 . 1 1 78 78 LYS H H 78 8.757 8.757 8.544 0.213 18713 421 1 1 . 1 1 79 79 SER N N 79 113.040 113.040 115.433 -2.393 18713 422 1 1 . 1 1 79 79 SER HA H 79 4.270 4.270 4.151 0.119 18713 423 1 1 . 1 1 79 79 SER C C 79 177.320 177.320 176.549 0.771 18713 424 1 1 . 1 1 79 79 SER CA C 79 62.250 62.250 61.124 1.126 18713 425 1 1 . 1 1 79 79 SER CB C 79 63.050 63.050 62.622 0.428 18713 426 1 1 . 1 1 79 79 SER H H 79 8.055 8.055 7.944 0.111 18713 427 1 1 . 1 1 80 80 PHE N N 80 123.520 123.520 123.326 0.194 18713 428 1 1 . 1 1 80 80 PHE HA H 80 4.255 4.255 4.301 -0.046 18713 429 1 1 . 1 1 80 80 PHE C C 80 176.480 176.480 177.165 -0.685 18713 430 1 1 . 1 1 80 80 PHE CA C 80 60.650 60.650 61.087 -0.437 18713 431 1 1 . 1 1 80 80 PHE CB C 80 39.450 39.450 38.920 0.530 18713 432 1 1 . 1 1 80 80 PHE H H 80 7.734 7.734 8.048 -0.314 18713 433 1 1 . 1 1 81 81 LEU N N 81 119.370 119.370 119.542 -0.172 18713 434 1 1 . 1 1 81 81 LEU HA H 81 3.558 3.558 3.364 0.194 18713 435 1 1 . 1 1 81 81 LEU C C 81 178.280 178.280 179.130 -0.850 18713 436 1 1 . 1 1 81 81 LEU CA C 81 57.650 57.650 58.162 -0.512 18713 437 1 1 . 1 1 81 81 LEU CB C 81 42.750 42.750 41.535 1.215 18713 438 1 1 . 1 1 81 81 LEU H H 81 8.693 8.693 8.951 -0.258 18713 439 1 1 . 1 1 82 82 GLU N N 82 118.350 118.350 118.496 -0.146 18713 440 1 1 . 1 1 82 82 GLU HA H 82 3.785 3.785 3.823 -0.038 18713 441 1 1 . 1 1 82 82 GLU C C 82 177.870 177.870 179.166 -1.296 18713 442 1 1 . 1 1 82 82 GLU CA C 82 60.550 60.550 59.396 1.154 18713 443 1 1 . 1 1 82 82 GLU CB C 82 29.280 29.280 28.807 0.473 18713 444 1 1 . 1 1 82 82 GLU H H 82 8.869 8.869 8.679 0.190 18713 445 1 1 . 1 1 83 83 SER N N 83 113.610 113.610 115.130 -1.520 18713 446 1 1 . 1 1 83 83 SER HA H 83 4.165 4.165 4.130 0.035 18713 447 1 1 . 1 1 83 83 SER C C 83 177.830 177.830 176.657 1.173 18713 448 1 1 . 1 1 83 83 SER CA C 83 61.150 61.150 61.535 -0.385 18713 449 1 1 . 1 1 83 83 SER CB C 83 62.750 62.750 62.897 -0.147 18713 450 1 1 . 1 1 83 83 SER H H 83 7.474 7.474 8.259 -0.785 18713 451 1 1 . 1 1 84 84 VAL N N 84 121.040 121.040 121.969 -0.929 18713 452 1 1 . 1 1 84 84 VAL HA H 84 3.660 3.660 3.646 0.014 18713 453 1 1 . 1 1 84 84 VAL C C 84 179.270 179.270 178.163 1.107 18713 454 1 1 . 1 1 84 84 VAL CA C 84 65.750 65.750 66.475 -0.725 18713 455 1 1 . 1 1 84 84 VAL CB C 84 32.030 32.030 30.870 1.160 18713 456 1 1 . 1 1 84 84 VAL H H 84 7.668 7.668 8.140 -0.472 18713 457 1 1 . 1 1 85 85 ILE N N 85 123.350 123.350 119.701 3.649 18713 458 1 1 . 1 1 85 85 ILE HA H 85 3.537 3.537 3.710 -0.173 18713 459 1 1 . 1 1 85 85 ILE C C 85 176.550 176.550 178.437 -1.887 18713 460 1 1 . 1 1 85 85 ILE CA C 85 66.710 66.710 64.089 2.621 18713 461 1 1 . 1 1 85 85 ILE CB C 85 36.210 36.210 36.178 0.032 18713 462 1 1 . 1 1 85 85 ILE H H 85 9.086 9.086 8.060 1.026 18713 463 1 1 . 1 1 86 86 ARG N N 86 120.150 120.150 120.197 -0.047 18713 464 1 1 . 1 1 86 86 ARG HA H 86 3.802 3.802 4.009 -0.207 18713 465 1 1 . 1 1 86 86 ARG C C 86 178.920 178.920 179.130 -0.210 18713 466 1 1 . 1 1 86 86 ARG CA C 86 59.980 59.980 59.363 0.617 18713 467 1 1 . 1 1 86 86 ARG CB C 86 29.650 29.650 29.512 0.138 18713 468 1 1 . 1 1 86 86 ARG H H 86 8.125 8.125 7.801 0.324 18713 469 1 1 . 1 1 87 87 ASP N N 87 118.810 118.810 119.844 -1.034 18713 470 1 1 . 1 1 87 87 ASP HA H 87 4.537 4.537 4.510 0.027 18713 471 1 1 . 1 1 87 87 ASP C C 87 178.050 178.050 178.819 -0.769 18713 472 1 1 . 1 1 87 87 ASP CA C 87 57.140 57.140 57.087 0.052 18713 473 1 1 . 1 1 87 87 ASP CB C 87 40.520 40.520 40.350 0.170 18713 474 1 1 . 1 1 87 87 ASP H H 87 7.668 7.668 8.444 -0.776 18713 475 1 1 . 1 1 88 88 SER N N 88 119.350 119.350 116.700 2.650 18713 476 1 1 . 1 1 88 88 SER HA H 88 4.166 4.166 4.778 -0.612 18713 477 1 1 . 1 1 88 88 SER C C 88 175.350 175.350 176.804 -1.454 18713 478 1 1 . 1 1 88 88 SER CA C 88 57.170 57.170 61.756 -4.586 18713 479 1 1 . 1 1 88 88 SER CB C 88 64.050 64.050 62.955 1.095 18713 480 1 1 . 1 1 88 88 SER H H 88 8.506 8.506 8.269 0.237 18713 481 1 1 . 1 1 89 89 VAL N N 89 121.240 121.240 122.664 -1.424 18713 482 1 1 . 1 1 89 89 VAL HA H 89 3.611 3.611 3.966 -0.355 18713 483 1 1 . 1 1 89 89 VAL C C 89 177.440 177.440 178.718 -1.278 18713 484 1 1 . 1 1 89 89 VAL CA C 89 65.990 65.990 66.329 -0.339 18713 485 1 1 . 1 1 89 89 VAL CB C 89 31.240 31.240 31.460 -0.220 18713 486 1 1 . 1 1 89 89 VAL H H 89 8.505 8.505 8.775 -0.270 18713 487 1 1 . 1 1 90 90 THR N N 90 117.040 117.040 117.580 -0.540 18713 488 1 1 . 1 1 90 90 THR HA H 90 4.013 4.013 3.931 0.082 18713 489 1 1 . 1 1 90 90 THR C C 90 177.410 177.410 177.017 0.393 18713 490 1 1 . 1 1 90 90 THR CA C 90 66.550 66.550 67.373 -0.823 18713 491 1 1 . 1 1 90 90 THR CB C 90 68.220 68.220 68.570 -0.350 18713 492 1 1 . 1 1 90 90 THR H H 90 8.016 8.016 7.628 0.388 18713 493 1 1 . 1 1 91 91 TYR N N 91 122.770 122.770 120.439 2.331 18713 494 1 1 . 1 1 91 91 TYR HA H 91 4.162 4.162 4.410 -0.248 18713 495 1 1 . 1 1 91 91 TYR C C 91 178.180 178.180 178.475 -0.295 18713 496 1 1 . 1 1 91 91 TYR CA C 91 62.470 62.470 61.346 1.124 18713 497 1 1 . 1 1 91 91 TYR CB C 91 38.030 38.030 37.934 0.095 18713 498 1 1 . 1 1 91 91 TYR H H 91 7.822 7.822 8.438 -0.616 18713 499 1 1 . 1 1 92 92 THR N N 92 119.350 119.350 113.282 6.068 18713 500 1 1 . 1 1 92 92 THR HA H 92 3.678 3.678 4.021 -0.343 18713 501 1 1 . 1 1 92 92 THR C C 92 175.880 175.880 176.949 -1.069 18713 502 1 1 . 1 1 92 92 THR CA C 92 67.390 67.390 66.575 0.815 18713 503 1 1 . 1 1 92 92 THR CB C 92 69.190 69.190 68.493 0.697 18713 504 1 1 . 1 1 92 92 THR H H 92 8.160 8.160 8.808 -0.648 18713 505 1 1 . 1 1 93 93 GLU N N 93 118.840 118.840 121.933 -3.093 18713 506 1 1 . 1 1 93 93 GLU HA H 93 4.238 4.238 4.092 0.146 18713 507 1 1 . 1 1 93 93 GLU C C 93 181.340 181.340 179.380 1.960 18713 508 1 1 . 1 1 93 93 GLU CA C 93 58.290 58.290 59.318 -1.028 18713 509 1 1 . 1 1 93 93 GLU CB C 93 28.890 28.890 29.018 -0.128 18713 510 1 1 . 1 1 93 93 GLU H H 93 8.514 8.514 8.957 -0.443 18713 511 1 1 . 1 1 94 94 HIS N N 94 120.870 120.870 120.787 0.083 18713 512 1 1 . 1 1 94 94 HIS HA H 94 4.465 4.465 4.374 0.091 18713 513 1 1 . 1 1 94 94 HIS C C 94 175.390 175.390 175.888 -0.498 18713 514 1 1 . 1 1 94 94 HIS CA C 94 58.250 58.250 58.762 -0.512 18713 515 1 1 . 1 1 94 94 HIS CB C 94 28.110 28.110 30.018 -1.908 18713 516 1 1 . 1 1 94 94 HIS H H 94 8.531 8.531 8.224 0.307 18713 517 1 1 . 1 1 95 95 ALA N N 95 121.010 121.010 119.665 1.345 18713 518 1 1 . 1 1 95 95 ALA HA H 95 4.335 4.335 4.444 -0.109 18713 519 1 1 . 1 1 95 95 ALA C C 95 175.380 175.380 175.700 -0.320 18713 520 1 1 . 1 1 95 95 ALA CA C 95 51.750 51.750 51.441 0.309 18713 521 1 1 . 1 1 95 95 ALA CB C 95 18.710 18.710 18.927 -0.217 18713 522 1 1 . 1 1 95 95 ALA H H 95 7.525 7.525 7.610 -0.085 18713 523 1 1 . 1 1 96 96 LYS N N 96 115.990 115.990 114.431 1.559 18713 524 1 1 . 1 1 96 96 LYS HA H 96 3.955 3.955 3.848 0.107 18713 525 1 1 . 1 1 96 96 LYS C C 96 175.020 175.020 176.158 -1.138 18713 526 1 1 . 1 1 96 96 LYS CA C 96 56.590 56.590 57.215 -0.625 18713 527 1 1 . 1 1 96 96 LYS CB C 96 28.650 28.650 29.538 -0.888 18713 528 1 1 . 1 1 96 96 LYS H H 96 8.232 8.232 8.041 0.191 18713 529 1 1 . 1 1 97 97 ARG N N 97 116.850 116.850 120.645 -3.795 18713 530 1 1 . 1 1 97 97 ARG HA H 97 4.651 4.651 4.345 0.306 18713 531 1 1 . 1 1 97 97 ARG C C 97 175.250 175.250 175.738 -0.488 18713 532 1 1 . 1 1 97 97 ARG CA C 97 55.010 55.010 54.963 0.047 18713 533 1 1 . 1 1 97 97 ARG CB C 97 35.170 35.170 32.649 2.521 18713 534 1 1 . 1 1 97 97 ARG H H 97 7.685 7.685 8.418 -0.733 18713 535 1 1 . 1 1 98 98 LYS N N 98 115.990 115.990 121.898 -5.908 18713 536 1 1 . 1 1 98 98 LYS HA H 98 4.409 4.409 4.600 -0.191 18713 537 1 1 . 1 1 98 98 LYS C C 98 174.320 174.320 174.444 -0.124 18713 538 1 1 . 1 1 98 98 LYS CA C 98 54.500 54.500 55.693 -1.193 18713 539 1 1 . 1 1 98 98 LYS CB C 98 33.590 33.590 32.059 1.531 18713 540 1 1 . 1 1 98 98 LYS H H 98 8.232 8.232 8.309 -0.077 18713 541 1 1 . 1 1 99 99 THR N N 99 114.310 114.310 114.442 -0.132 18713 542 1 1 . 1 1 99 99 THR HA H 99 4.769 4.769 4.900 -0.131 18713 543 1 1 . 1 1 99 99 THR C C 99 172.170 172.170 173.078 -0.908 18713 544 1 1 . 1 1 99 99 THR CA C 99 60.510 60.510 61.689 -1.179 18713 545 1 1 . 1 1 99 99 THR CB C 99 70.180 70.180 72.474 -2.294 18713 546 1 1 . 1 1 99 99 THR H H 99 6.768 6.768 7.783 -1.015 18713 547 1 1 . 1 1 100 100 VAL N N 100 128.820 128.820 125.948 2.872 18713 548 1 1 . 1 1 100 100 VAL HA H 100 3.987 3.987 4.228 -0.241 18713 549 1 1 . 1 1 100 100 VAL C C 100 175.690 175.690 175.007 0.683 18713 550 1 1 . 1 1 100 100 VAL CA C 100 61.950 61.950 60.502 1.448 18713 551 1 1 . 1 1 100 100 VAL CB C 100 32.290 32.290 32.663 -0.373 18713 552 1 1 . 1 1 100 100 VAL H H 100 8.690 8.690 9.069 -0.379 18713 553 1 1 . 1 1 101 101 THR N N 101 118.310 118.310 116.059 2.251 18713 554 1 1 . 1 1 101 101 THR HA H 101 4.798 4.798 4.668 0.130 18713 555 1 1 . 1 1 101 101 THR C C 101 176.460 176.460 174.962 1.498 18713 556 1 1 . 1 1 101 101 THR CA C 101 59.990 59.990 59.528 0.462 18713 557 1 1 . 1 1 101 101 THR CB C 101 72.550 72.550 72.011 0.539 18713 558 1 1 . 1 1 101 101 THR H H 101 9.263 9.263 8.187 1.076 18713 559 1 1 . 1 1 102 102 SER N N 102 115.810 115.810 118.423 -2.613 18713 560 1 1 . 1 1 102 102 SER HA H 102 3.913 3.913 4.049 -0.136 18713 561 1 1 . 1 1 102 102 SER C C 102 175.210 175.210 176.309 -1.099 18713 562 1 1 . 1 1 102 102 SER CA C 102 61.850 61.850 61.127 0.723 18713 563 1 1 . 1 1 102 102 SER CB C 102 61.850 61.850 62.561 -0.711 18713 564 1 1 . 1 1 102 102 SER H H 102 9.148 9.148 8.776 0.372 18713 565 1 1 . 1 1 103 103 LEU N N 103 121.540 121.540 122.814 -1.274 18713 566 1 1 . 1 1 103 103 LEU HA H 103 3.965 3.965 3.839 0.126 18713 567 1 1 . 1 1 103 103 LEU C C 103 177.780 177.780 177.974 -0.194 18713 568 1 1 . 1 1 103 103 LEU CA C 103 57.630 57.630 57.980 -0.350 18713 569 1 1 . 1 1 103 103 LEU CB C 103 41.430 41.430 41.141 0.289 18713 570 1 1 . 1 1 103 103 LEU H H 103 7.389 7.389 7.675 -0.286 18713 571 1 1 . 1 1 104 104 ASP N N 104 120.260 120.260 118.393 1.867 18713 572 1 1 . 1 1 104 104 ASP HA H 104 4.240 4.240 3.751 0.489 18713 573 1 1 . 1 1 104 104 ASP C C 104 177.230 177.230 178.341 -1.111 18713 574 1 1 . 1 1 104 104 ASP CA C 104 58.140 58.140 56.702 1.438 18713 575 1 1 . 1 1 104 104 ASP CB C 104 41.050 41.050 40.548 0.502 18713 576 1 1 . 1 1 104 104 ASP H H 104 7.240 7.240 7.424 -0.184 18713 577 1 1 . 1 1 105 105 VAL N N 105 118.230 118.230 120.359 -2.129 18713 578 1 1 . 1 1 105 105 VAL HA H 105 4.025 4.025 3.615 0.410 18713 579 1 1 . 1 1 105 105 VAL C C 105 177.550 177.550 177.612 -0.062 18713 580 1 1 . 1 1 105 105 VAL CA C 105 65.270 65.270 66.390 -1.120 18713 581 1 1 . 1 1 105 105 VAL CB C 105 31.570 31.570 31.547 0.023 18713 582 1 1 . 1 1 105 105 VAL H H 105 7.150 7.150 7.489 -0.339 18713 583 1 1 . 1 1 106 106 VAL N N 106 120.450 120.450 120.539 -0.089 18713 584 1 1 . 1 1 106 106 VAL HA H 106 3.512 3.512 3.657 -0.145 18713 585 1 1 . 1 1 106 106 VAL C C 106 178.520 178.520 178.472 0.048 18713 586 1 1 . 1 1 106 106 VAL CA C 106 67.440 67.440 66.920 0.520 18713 587 1 1 . 1 1 106 106 VAL CB C 106 31.770 31.770 31.298 0.472 18713 588 1 1 . 1 1 106 106 VAL H H 106 8.380 8.380 7.990 0.390 18713 589 1 1 . 1 1 107 107 TYR N N 107 120.160 120.160 119.132 1.028 18713 590 1 1 . 1 1 107 107 TYR HA H 107 4.113 4.113 4.113 -0.000 18713 591 1 1 . 1 1 107 107 TYR C C 107 177.950 177.950 178.019 -0.069 18713 592 1 1 . 1 1 107 107 TYR CA C 107 60.150 60.150 59.108 1.042 18713 593 1 1 . 1 1 107 107 TYR CB C 107 36.210 36.210 36.040 0.170 18713 594 1 1 . 1 1 107 107 TYR H H 107 8.246 8.246 8.253 -0.007 18713 595 1 1 . 1 1 108 108 ALA N N 108 123.660 123.660 122.420 1.240 18713 596 1 1 . 1 1 108 108 ALA HA H 108 4.018 4.018 4.190 -0.172 18713 597 1 1 . 1 1 108 108 ALA C C 108 180.350 180.350 179.918 0.432 18713 598 1 1 . 1 1 108 108 ALA CA C 108 55.670 55.670 55.070 0.600 18713 599 1 1 . 1 1 108 108 ALA CB C 108 20.650 20.650 18.442 2.208 18713 600 1 1 . 1 1 108 108 ALA H H 108 7.912 7.912 8.305 -0.393 18713 601 1 1 . 1 1 109 109 LEU N N 109 119.820 119.820 119.040 0.780 18713 602 1 1 . 1 1 109 109 LEU HA H 109 3.887 3.887 4.030 -0.143 18713 603 1 1 . 1 1 109 109 LEU C C 109 179.290 179.290 178.961 0.329 18713 604 1 1 . 1 1 109 109 LEU CA C 109 57.870 57.870 57.658 0.212 18713 605 1 1 . 1 1 109 109 LEU CB C 109 41.430 41.430 41.833 -0.403 18713 606 1 1 . 1 1 109 109 LEU H H 109 8.727 8.727 8.464 0.263 18713 607 1 1 . 1 1 110 110 LYS N N 110 120.420 120.420 119.910 0.510 18713 608 1 1 . 1 1 110 110 LYS HA H 110 4.158 4.158 4.250 -0.092 18713 609 1 1 . 1 1 110 110 LYS C C 110 179.470 179.470 179.754 -0.284 18713 610 1 1 . 1 1 110 110 LYS CA C 110 58.850 58.850 59.401 -0.551 18713 611 1 1 . 1 1 110 110 LYS CB C 110 32.050 32.050 32.509 -0.459 18713 612 1 1 . 1 1 110 110 LYS H H 110 8.180 8.180 8.391 -0.211 18713 613 1 1 . 1 1 111 111 ARG N N 111 119.820 119.820 116.870 2.950 18713 614 1 1 . 1 1 111 111 ARG HA H 111 4.142 4.142 4.239 -0.097 18713 615 1 1 . 1 1 111 111 ARG C C 111 177.240 177.240 178.330 -1.090 18713 616 1 1 . 1 1 111 111 ARG CA C 111 58.150 58.150 58.028 0.122 18713 617 1 1 . 1 1 111 111 ARG CB C 111 29.810 29.810 29.799 0.011 18713 618 1 1 . 1 1 111 111 ARG H H 111 7.765 7.765 7.829 -0.064 18713 619 1 1 . 1 1 112 112 GLN N N 112 116.120 116.120 118.720 -2.600 18713 620 1 1 . 1 1 112 112 GLN HA H 112 4.435 4.435 4.278 0.157 18713 621 1 1 . 1 1 112 112 GLN C C 112 176.060 176.060 176.690 -0.630 18713 622 1 1 . 1 1 112 112 GLN CA C 112 55.550 55.550 56.766 -1.216 18713 623 1 1 . 1 1 112 112 GLN CB C 112 28.760 28.760 29.321 -0.561 18713 624 1 1 . 1 1 112 112 GLN H H 112 7.856 7.856 7.749 0.107 18713 625 1 1 . 1 1 113 113 GLY N N 113 108.070 108.070 106.080 1.990 18713 626 1 1 . 1 1 113 113 GLY C C 113 174.240 174.240 174.085 0.155 18713 627 1 1 . 1 1 113 113 GLY CA C 113 45.953 45.953 44.637 1.316 18713 628 1 1 . 1 1 113 113 GLY H H 113 8.048 8.048 7.597 0.451 18713 629 1 1 . 1 1 114 114 ARG N N 114 119.710 119.710 120.598 -0.888 18713 630 1 1 . 1 1 114 114 ARG HA H 114 4.565 4.565 4.714 -0.149 18713 631 1 1 . 1 1 114 114 ARG C C 114 175.490 175.490 177.075 -1.585 18713 632 1 1 . 1 1 114 114 ARG CA C 114 57.950 57.950 54.641 3.309 18713 633 1 1 . 1 1 114 114 ARG CB C 114 31.510 31.510 31.350 0.160 18713 634 1 1 . 1 1 114 114 ARG H H 114 8.116 8.116 7.764 0.352 18713 635 1 1 . 1 1 115 115 THR N N 115 114.890 114.890 111.802 3.088 18713 636 1 1 . 1 1 115 115 THR HA H 115 4.262 4.262 3.985 0.277 18713 637 1 1 . 1 1 115 115 THR C C 115 173.460 173.460 175.012 -1.552 18713 638 1 1 . 1 1 115 115 THR CA C 115 61.820 61.820 63.898 -2.078 18713 639 1 1 . 1 1 115 115 THR CB C 115 70.050 70.050 68.114 1.936 18713 640 1 1 . 1 1 115 115 THR H H 115 8.143 8.143 8.810 -0.667 18713 641 1 1 . 1 1 116 116 LEU N N 116 124.070 124.070 118.132 5.938 18713 642 1 1 . 1 1 116 116 LEU HA H 116 4.425 4.425 3.907 0.518 18713 643 1 1 . 1 1 116 116 LEU C C 116 175.830 175.830 176.849 -1.019 18713 644 1 1 . 1 1 116 116 LEU CA C 116 54.760 54.760 55.821 -1.061 18713 645 1 1 . 1 1 116 116 LEU CB C 116 43.280 43.280 40.340 2.940 18713 646 1 1 . 1 1 116 116 LEU H H 116 8.143 8.143 8.218 -0.075 18713 647 1 1 . 1 1 117 117 TYR N N 117 121.630 121.630 119.062 2.568 18713 648 1 1 . 1 1 117 117 TYR HA H 117 4.550 4.550 3.997 0.553 18713 649 1 1 . 1 1 117 117 TYR C C 117 175.830 175.830 176.705 -0.875 18713 650 1 1 . 1 1 117 117 TYR CA C 117 58.140 58.140 59.460 -1.320 18713 651 1 1 . 1 1 117 117 TYR CB C 117 38.850 38.850 37.238 1.612 18713 652 1 1 . 1 1 117 117 TYR H H 117 8.213 8.213 8.182 0.031 18713 653 1 1 . 1 1 118 118 GLY N N 118 110.050 110.050 104.601 5.449 18713 654 1 1 . 1 1 118 118 GLY C C 118 173.660 173.660 175.065 -1.405 18713 655 1 1 . 1 1 118 118 GLY CA C 118 45.470 45.470 45.316 0.154 18713 656 1 1 . 1 1 118 118 GLY H H 118 8.275 8.275 8.199 0.076 18713 657 1 1 . 1 1 119 119 PHE N N 119 119.610 119.610 121.101 -1.491 18713 658 1 1 . 1 1 119 119 PHE HA H 119 4.612 4.612 4.333 0.279 18713 659 1 1 . 1 1 119 119 PHE C C 119 175.280 175.280 176.891 -1.611 18713 660 1 1 . 1 1 119 119 PHE CA C 119 58.060 58.060 59.655 -1.595 18713 661 1 1 . 1 1 119 119 PHE CB C 119 40.050 40.050 39.127 0.923 18713 662 1 1 . 1 1 119 119 PHE H H 119 8.033 8.033 8.735 -0.702 18713 663 1 1 . 1 1 120 120 GLY N N 120 110.930 110.930 107.165 3.765 18713 664 1 1 . 1 1 120 120 GLY C C 120 173.050 173.050 174.987 -1.937 18713 665 1 1 . 1 1 120 120 GLY CA C 120 45.650 45.650 44.557 1.093 18713 666 1 1 . 1 1 120 120 GLY H H 120 8.334 8.334 7.912 0.422 18713 667 1 2 . 1 1 2 2 ILE HA H 2 4.175 4.175 3.940 0.235 18713 668 1 2 . 1 1 2 2 ILE CA C 2 61.880 61.880 62.960 -1.080 18713 669 1 2 . 1 1 2 2 ILE CB C 2 37.770 37.770 38.296 -0.526 18713 670 1 2 . 1 1 3 3 SER N N 3 116.020 116.020 115.220 0.800 18713 671 1 2 . 1 1 3 3 SER HA H 3 4.435 4.435 4.300 0.135 18713 672 1 2 . 1 1 3 3 SER CA C 3 59.590 59.590 59.857 -0.267 18713 673 1 2 . 1 1 3 3 SER CB C 3 63.640 63.640 62.991 0.649 18713 674 1 2 . 1 1 3 3 SER H H 3 7.913 7.913 7.921 -0.008 18713 675 1 2 . 1 1 4 4 LYS N N 4 120.030 120.030 121.691 -1.661 18713 676 1 2 . 1 1 4 4 LYS HA H 4 4.380 4.380 4.203 0.177 18713 677 1 2 . 1 1 4 4 LYS CA C 4 56.150 56.150 56.666 -0.516 18713 678 1 2 . 1 1 4 4 LYS CB C 4 32.850 32.850 33.067 -0.217 18713 679 1 2 . 1 1 4 4 LYS H H 4 7.979 7.979 7.382 0.597 18713 680 1 2 . 1 1 7 7 PHE HA H 7 4.023 4.023 4.180 -0.157 18713 681 1 2 . 1 1 7 7 PHE C C 7 176.700 176.700 177.755 -1.055 18713 682 1 2 . 1 1 7 7 PHE CA C 7 63.150 63.150 61.831 1.319 18713 683 1 2 . 1 1 7 7 PHE CB C 7 39.880 39.880 37.839 2.041 18713 684 1 2 . 1 1 8 8 ALA N N 8 121.230 121.230 122.269 -1.039 18713 685 1 2 . 1 1 8 8 ALA HA H 8 3.920 3.920 3.996 -0.076 18713 686 1 2 . 1 1 8 8 ALA C C 8 178.010 178.010 179.620 -1.610 18713 687 1 2 . 1 1 8 8 ALA CA C 8 55.630 55.630 55.344 0.286 18713 688 1 2 . 1 1 8 8 ALA CB C 8 17.750 17.750 18.237 -0.487 18713 689 1 2 . 1 1 8 8 ALA H H 8 8.715 8.715 7.991 0.724 18713 690 1 2 . 1 1 9 9 ARG N N 9 118.910 118.910 117.997 0.913 18713 691 1 2 . 1 1 9 9 ARG HA H 9 4.081 4.081 4.047 0.034 18713 692 1 2 . 1 1 9 9 ARG C C 9 177.790 177.790 178.948 -1.158 18713 693 1 2 . 1 1 9 9 ARG CA C 9 58.700 58.700 58.271 0.429 18713 694 1 2 . 1 1 9 9 ARG CB C 9 30.120 30.120 29.706 0.414 18713 695 1 2 . 1 1 9 9 ARG H H 9 7.618 7.618 7.693 -0.075 18713 696 1 2 . 1 1 10 10 LEU N N 10 120.830 120.830 120.917 -0.087 18713 697 1 2 . 1 1 10 10 LEU HA H 10 4.233 4.233 4.052 0.181 18713 698 1 2 . 1 1 10 10 LEU C C 10 177.780 177.780 179.097 -1.317 18713 699 1 2 . 1 1 10 10 LEU CA C 10 57.680 57.680 58.034 -0.354 18713 700 1 2 . 1 1 10 10 LEU CB C 10 41.680 41.680 41.815 -0.134 18713 701 1 2 . 1 1 10 10 LEU H H 10 7.752 7.752 8.412 -0.660 18713 702 1 2 . 1 1 11 11 VAL N N 11 117.150 117.150 119.488 -2.338 18713 703 1 2 . 1 1 11 11 VAL HA H 11 3.425 3.425 3.642 -0.217 18713 704 1 2 . 1 1 11 11 VAL C C 11 177.830 177.830 178.216 -0.386 18713 705 1 2 . 1 1 11 11 VAL CA C 11 66.930 66.930 66.721 0.209 18713 706 1 2 . 1 1 11 11 VAL CB C 11 31.520 31.520 30.886 0.635 18713 707 1 2 . 1 1 11 11 VAL H H 11 8.180 8.180 8.810 -0.630 18713 708 1 2 . 1 1 12 12 LYS N N 12 121.880 121.880 119.867 2.013 18713 709 1 2 . 1 1 12 12 LYS HA H 12 3.998 3.998 3.972 0.026 18713 710 1 2 . 1 1 12 12 LYS C C 12 176.790 176.790 179.105 -2.315 18713 711 1 2 . 1 1 12 12 LYS CA C 12 58.950 58.950 60.211 -1.261 18713 712 1 2 . 1 1 12 12 LYS CB C 12 32.120 32.120 32.021 0.099 18713 713 1 2 . 1 1 12 12 LYS H H 12 7.668 7.668 8.339 -0.671 18713 714 1 2 . 1 1 13 13 GLU N N 13 118.250 118.250 119.513 -1.263 18713 715 1 2 . 1 1 13 13 GLU HA H 13 4.085 4.085 3.961 0.124 18713 716 1 2 . 1 1 13 13 GLU C C 13 179.280 179.280 179.013 0.267 18713 717 1 2 . 1 1 13 13 GLU CA C 13 59.650 59.650 59.418 0.232 18713 718 1 2 . 1 1 13 13 GLU CB C 13 29.770 29.770 29.531 0.239 18713 719 1 2 . 1 1 13 13 GLU H H 13 8.149 8.149 8.070 0.079 18713 720 1 2 . 1 1 14 14 VAL N N 14 117.450 117.450 119.676 -2.226 18713 721 1 2 . 1 1 14 14 VAL HA H 14 4.007 4.007 3.462 0.545 18713 722 1 2 . 1 1 14 14 VAL C C 14 178.350 178.350 177.741 0.609 18713 723 1 2 . 1 1 14 14 VAL CA C 14 66.220 66.220 66.327 -0.107 18713 724 1 2 . 1 1 14 14 VAL CB C 14 31.250 31.250 31.359 -0.109 18713 725 1 2 . 1 1 14 14 VAL H H 14 7.974 7.974 8.273 -0.299 18713 726 1 2 . 1 1 15 15 THR N N 15 113.780 113.780 116.858 -3.078 18713 727 1 2 . 1 1 15 15 THR HA H 15 3.771 3.771 3.668 0.103 18713 728 1 2 . 1 1 15 15 THR C C 15 178.190 178.190 176.266 1.924 18713 729 1 2 . 1 1 15 15 THR CA C 15 66.990 66.990 67.351 -0.361 18713 730 1 2 . 1 1 15 15 THR CB C 15 68.590 68.590 68.298 0.292 18713 731 1 2 . 1 1 15 15 THR H H 15 8.569 8.569 8.274 0.295 18713 732 1 2 . 1 1 16 16 ASP N N 16 123.420 123.420 121.302 2.118 18713 733 1 2 . 1 1 16 16 ASP HA H 16 4.545 4.545 4.383 0.162 18713 734 1 2 . 1 1 16 16 ASP C C 16 178.450 178.450 177.989 0.461 18713 735 1 2 . 1 1 16 16 ASP CA C 16 57.410 57.410 57.130 0.280 18713 736 1 2 . 1 1 16 16 ASP CB C 16 39.880 39.880 40.013 -0.133 18713 737 1 2 . 1 1 16 16 ASP H H 16 8.664 8.664 8.303 0.361 18713 738 1 2 . 1 1 17 17 GLU N N 17 120.180 120.180 118.274 1.906 18713 739 1 2 . 1 1 17 17 GLU HA H 17 4.089 4.089 4.081 0.008 18713 740 1 2 . 1 1 17 17 GLU C C 17 178.220 178.220 179.727 -1.507 18713 741 1 2 . 1 1 17 17 GLU CA C 17 59.050 59.050 58.929 0.121 18713 742 1 2 . 1 1 17 17 GLU CB C 17 28.850 28.850 29.387 -0.537 18713 743 1 2 . 1 1 17 17 GLU H H 17 7.705 7.705 7.481 0.224 18713 744 1 2 . 1 1 18 18 PHE N N 18 117.450 117.450 118.572 -1.122 18713 745 1 2 . 1 1 18 18 PHE HA H 18 4.396 4.396 4.514 -0.118 18713 746 1 2 . 1 1 18 18 PHE C C 18 177.130 177.130 177.313 -0.183 18713 747 1 2 . 1 1 18 18 PHE CA C 18 60.720 60.720 58.335 2.385 18713 748 1 2 . 1 1 18 18 PHE CB C 18 39.880 39.880 38.074 1.806 18713 749 1 2 . 1 1 18 18 PHE H H 18 7.911 7.911 7.340 0.571 18713 750 1 2 . 1 1 19 19 THR N N 19 115.450 115.450 113.295 2.155 18713 751 1 2 . 1 1 19 19 THR HA H 19 4.510 4.510 4.335 0.175 18713 752 1 2 . 1 1 19 19 THR C C 19 175.160 175.160 175.088 0.072 18713 753 1 2 . 1 1 19 19 THR CA C 19 63.880 63.880 63.076 0.804 18713 754 1 2 . 1 1 19 19 THR CB C 19 69.450 69.450 68.657 0.793 18713 755 1 2 . 1 1 19 19 THR H H 19 8.270 8.270 8.618 -0.348 18713 756 1 2 . 1 1 20 20 THR N N 20 114.370 114.370 116.831 -2.461 18713 757 1 2 . 1 1 20 20 THR HA H 20 4.262 4.262 4.078 0.184 18713 758 1 2 . 1 1 20 20 THR C C 20 175.280 175.280 175.700 -0.420 18713 759 1 2 . 1 1 20 20 THR CA C 20 63.850 63.850 64.491 -0.641 18713 760 1 2 . 1 1 20 20 THR CB C 20 69.250 69.250 68.733 0.517 18713 761 1 2 . 1 1 20 20 THR H H 20 7.974 7.974 7.474 0.500 18713 762 1 2 . 1 1 21 21 LYS N N 21 119.710 119.710 120.955 -1.245 18713 763 1 2 . 1 1 21 21 LYS HA H 21 4.291 4.291 4.299 -0.008 18713 764 1 2 . 1 1 21 21 LYS C C 21 176.070 176.070 176.040 0.030 18713 765 1 2 . 1 1 21 21 LYS CA C 21 57.180 57.180 56.577 0.603 18713 766 1 2 . 1 1 21 21 LYS CB C 21 32.830 32.830 31.875 0.955 18713 767 1 2 . 1 1 21 21 LYS H H 21 7.519 7.519 7.954 -0.435 18713 768 1 2 . 1 1 22 22 ASP N N 22 119.020 119.020 121.237 -2.217 18713 769 1 2 . 1 1 22 22 ASP HA H 22 4.730 4.730 4.663 0.067 18713 770 1 2 . 1 1 22 22 ASP C C 22 175.080 175.080 176.268 -1.188 18713 771 1 2 . 1 1 22 22 ASP CA C 22 53.770 53.770 54.703 -0.933 18713 772 1 2 . 1 1 22 22 ASP CB C 22 39.990 39.990 38.824 1.166 18713 773 1 2 . 1 1 22 22 ASP H H 22 7.841 7.841 7.649 0.192 18713 774 1 2 . 1 1 23 23 GLN N N 23 120.720 120.720 118.380 2.340 18713 775 1 2 . 1 1 23 23 GLN HA H 23 4.425 4.425 4.084 0.341 18713 776 1 2 . 1 1 23 23 GLN C C 23 175.860 175.860 177.100 -1.240 18713 777 1 2 . 1 1 23 23 GLN CA C 23 57.530 57.530 58.108 -0.578 18713 778 1 2 . 1 1 23 23 GLN CB C 23 29.050 29.050 28.762 0.288 18713 779 1 2 . 1 1 23 23 GLN H H 23 8.313 8.313 8.446 -0.133 18713 780 1 2 . 1 1 24 24 ASP N N 24 119.150 119.150 114.939 4.211 18713 781 1 2 . 1 1 24 24 ASP HA H 24 4.655 4.655 4.810 -0.155 18713 782 1 2 . 1 1 24 24 ASP C C 24 174.840 174.840 175.110 -0.270 18713 783 1 2 . 1 1 24 24 ASP CA C 24 54.560 54.560 53.364 1.196 18713 784 1 2 . 1 1 24 24 ASP CB C 24 41.290 41.290 42.356 -1.066 18713 785 1 2 . 1 1 24 24 ASP H H 24 8.313 8.313 8.619 -0.306 18713 786 1 2 . 1 1 25 25 LEU N N 25 121.240 121.240 121.245 -0.005 18713 787 1 2 . 1 1 25 25 LEU HA H 25 4.602 4.602 4.311 0.291 18713 788 1 2 . 1 1 25 25 LEU C C 25 176.550 176.550 176.907 -0.357 18713 789 1 2 . 1 1 25 25 LEU CA C 25 55.060 55.060 55.525 -0.465 18713 790 1 2 . 1 1 25 25 LEU CB C 25 43.520 43.520 42.718 0.802 18713 791 1 2 . 1 1 25 25 LEU H H 25 7.572 7.572 7.627 -0.055 18713 792 1 2 . 1 1 26 26 ARG N N 26 123.560 123.560 120.447 3.113 18713 793 1 2 . 1 1 26 26 ARG HA H 26 4.787 4.787 4.728 0.059 18713 794 1 2 . 1 1 26 26 ARG C C 26 174.040 174.040 174.381 -0.341 18713 795 1 2 . 1 1 26 26 ARG CA C 26 54.010 54.010 55.088 -1.078 18713 796 1 2 . 1 1 26 26 ARG CB C 26 33.170 33.170 33.211 -0.041 18713 797 1 2 . 1 1 26 26 ARG H H 26 8.385 8.385 8.336 0.049 18713 798 1 2 . 1 1 27 27 TRP N N 27 121.230 121.230 125.840 -4.610 18713 799 1 2 . 1 1 27 27 TRP HA H 27 4.608 4.608 4.880 -0.272 18713 800 1 2 . 1 1 27 27 TRP C C 27 176.280 176.280 176.530 -0.250 18713 801 1 2 . 1 1 27 27 TRP CA C 27 56.110 56.110 56.942 -0.832 18713 802 1 2 . 1 1 27 27 TRP CB C 27 30.350 30.350 29.760 0.590 18713 803 1 2 . 1 1 27 27 TRP H H 27 8.824 8.824 8.805 0.019 18713 804 1 2 . 1 1 28 28 GLN N N 28 122.270 122.270 124.276 -2.006 18713 805 1 2 . 1 1 28 28 GLN HA H 28 4.163 4.163 4.608 -0.445 18713 806 1 2 . 1 1 28 28 GLN C C 28 176.280 176.280 177.277 -0.997 18713 807 1 2 . 1 1 28 28 GLN CA C 28 56.850 56.850 54.611 2.239 18713 808 1 2 . 1 1 28 28 GLN CB C 28 32.830 32.830 29.420 3.410 18713 809 1 2 . 1 1 28 28 GLN H H 28 8.427 8.427 7.965 0.462 18713 810 1 2 . 1 1 29 29 SER HA H 29 4.276 4.276 4.233 0.043 18713 811 1 2 . 1 1 29 29 SER CA C 29 63.180 63.180 61.195 1.985 18713 812 1 2 . 1 1 29 29 SER CB C 29 62.930 62.930 62.940 -0.010 18713 813 1 2 . 1 1 30 30 MET HA H 30 4.430 4.430 4.384 0.046 18713 814 1 2 . 1 1 30 30 MET C C 30 178.450 178.450 178.096 0.354 18713 815 1 2 . 1 1 30 30 MET CA C 30 57.760 57.760 56.795 0.964 18713 816 1 2 . 1 1 30 30 MET CB C 30 32.120 32.120 30.983 1.137 18713 817 1 2 . 1 1 31 31 ALA N N 31 122.750 122.750 123.072 -0.322 18713 818 1 2 . 1 1 31 31 ALA HA H 31 4.015 4.015 3.896 0.119 18713 819 1 2 . 1 1 31 31 ALA C C 31 178.090 178.090 179.993 -1.903 18713 820 1 2 . 1 1 31 31 ALA CA C 31 55.430 55.430 55.056 0.374 18713 821 1 2 . 1 1 31 31 ALA CB C 31 18.590 18.590 17.605 0.985 18713 822 1 2 . 1 1 31 31 ALA H H 31 7.619 7.619 7.763 -0.144 18713 823 1 2 . 1 1 32 32 ILE N N 32 117.950 117.950 118.026 -0.076 18713 824 1 2 . 1 1 32 32 ILE HA H 32 3.691 3.691 3.752 -0.061 18713 825 1 2 . 1 1 32 32 ILE C C 32 178.410 178.410 177.813 0.597 18713 826 1 2 . 1 1 32 32 ILE CA C 32 63.290 63.290 65.103 -1.813 18713 827 1 2 . 1 1 32 32 ILE CB C 32 36.120 36.120 37.874 -1.754 18713 828 1 2 . 1 1 32 32 ILE H H 32 7.503 7.503 7.299 0.204 18713 829 1 2 . 1 1 33 33 MET N N 33 118.790 118.790 118.545 0.245 18713 830 1 2 . 1 1 33 33 MET HA H 33 4.269 4.269 4.148 0.121 18713 831 1 2 . 1 1 33 33 MET C C 33 177.970 177.970 178.577 -0.607 18713 832 1 2 . 1 1 33 33 MET CA C 33 57.670 57.670 57.335 0.335 18713 833 1 2 . 1 1 33 33 MET CB C 33 32.040 32.040 31.056 0.984 18713 834 1 2 . 1 1 33 33 MET H H 33 8.034 8.034 7.712 0.322 18713 835 1 2 . 1 1 34 34 ALA N N 34 122.470 122.470 122.247 0.223 18713 836 1 2 . 1 1 34 34 ALA HA H 34 3.944 3.944 4.083 -0.139 18713 837 1 2 . 1 1 34 34 ALA C C 34 179.680 179.680 179.245 0.435 18713 838 1 2 . 1 1 34 34 ALA CA C 34 55.290 55.290 55.538 -0.248 18713 839 1 2 . 1 1 34 34 ALA CB C 34 17.050 17.050 18.084 -1.034 18713 840 1 2 . 1 1 34 34 ALA H H 34 8.007 8.007 8.545 -0.538 18713 841 1 2 . 1 1 35 35 LEU N N 35 118.310 118.310 119.177 -0.867 18713 842 1 2 . 1 1 35 35 LEU HA H 35 3.945 3.945 4.059 -0.114 18713 843 1 2 . 1 1 35 35 LEU C C 35 179.630 179.630 179.245 0.385 18713 844 1 2 . 1 1 35 35 LEU CA C 35 57.880 57.880 58.501 -0.621 18713 845 1 2 . 1 1 35 35 LEU CB C 35 42.710 42.710 41.487 1.222 18713 846 1 2 . 1 1 35 35 LEU H H 35 8.003 8.003 7.425 0.578 18713 847 1 2 . 1 1 36 36 GLN N N 36 122.480 122.480 118.338 4.142 18713 848 1 2 . 1 1 36 36 GLN HA H 36 3.718 3.718 4.088 -0.370 18713 849 1 2 . 1 1 36 36 GLN C C 36 177.850 177.850 179.006 -1.156 18713 850 1 2 . 1 1 36 36 GLN CA C 36 60.150 60.150 58.445 1.705 18713 851 1 2 . 1 1 36 36 GLN CB C 36 28.150 28.150 28.156 -0.006 18713 852 1 2 . 1 1 36 36 GLN H H 36 8.532 8.532 7.801 0.731 18713 853 1 2 . 1 1 37 37 GLU N N 37 120.790 120.790 119.817 0.973 18713 854 1 2 . 1 1 37 37 GLU HA H 37 4.043 4.043 4.403 -0.360 18713 855 1 2 . 1 1 37 37 GLU C C 37 179.190 179.190 178.969 0.221 18713 856 1 2 . 1 1 37 37 GLU CA C 37 59.650 59.650 58.782 0.868 18713 857 1 2 . 1 1 37 37 GLU CB C 37 28.120 28.120 29.339 -1.219 18713 858 1 2 . 1 1 37 37 GLU H H 37 8.562 8.562 8.257 0.305 18713 859 1 2 . 1 1 38 38 ALA N N 38 121.430 121.430 122.315 -0.885 18713 860 1 2 . 1 1 38 38 ALA HA H 38 4.228 4.228 3.938 0.290 18713 861 1 2 . 1 1 38 38 ALA C C 38 179.740 179.740 179.963 -0.223 18713 862 1 2 . 1 1 38 38 ALA CA C 38 54.550 54.550 55.396 -0.846 18713 863 1 2 . 1 1 38 38 ALA CB C 38 19.050 19.050 18.307 0.743 18713 864 1 2 . 1 1 38 38 ALA H H 38 8.626 8.626 8.419 0.207 18713 865 1 2 . 1 1 39 39 SER N N 39 115.350 115.350 114.231 1.119 18713 866 1 2 . 1 1 39 39 SER HA H 39 4.159 4.159 4.146 0.013 18713 867 1 2 . 1 1 39 39 SER C C 39 174.490 174.490 176.932 -2.442 18713 868 1 2 . 1 1 39 39 SER CA C 39 62.550 62.550 61.763 0.787 18713 869 1 2 . 1 1 39 39 SER CB C 39 64.580 64.580 63.013 1.567 18713 870 1 2 . 1 1 39 39 SER H H 39 8.160 8.160 8.062 0.098 18713 871 1 2 . 1 1 40 40 GLU N N 40 123.380 123.380 121.374 2.006 18713 872 1 2 . 1 1 40 40 GLU HA H 40 3.545 3.545 4.185 -0.640 18713 873 1 2 . 1 1 40 40 GLU C C 40 177.080 177.080 178.493 -1.413 18713 874 1 2 . 1 1 40 40 GLU CA C 40 59.890 59.890 58.772 1.118 18713 875 1 2 . 1 1 40 40 GLU CB C 40 28.150 28.150 29.173 -1.023 18713 876 1 2 . 1 1 40 40 GLU H H 40 7.632 7.632 8.041 -0.409 18713 877 1 2 . 1 1 41 41 ALA N N 41 120.090 120.090 122.601 -2.511 18713 878 1 2 . 1 1 41 41 ALA HA H 41 4.007 4.007 4.069 -0.062 18713 879 1 2 . 1 1 41 41 ALA C C 41 180.370 180.370 179.396 0.974 18713 880 1 2 . 1 1 41 41 ALA CA C 41 54.930 54.930 54.672 0.258 18713 881 1 2 . 1 1 41 41 ALA CB C 41 18.150 18.150 18.018 0.132 18713 882 1 2 . 1 1 41 41 ALA H H 41 7.860 7.860 8.147 -0.287 18713 883 1 2 . 1 1 42 42 TYR N N 42 120.400 120.400 119.828 0.572 18713 884 1 2 . 1 1 42 42 TYR HA H 42 3.970 3.970 4.063 -0.093 18713 885 1 2 . 1 1 42 42 TYR C C 42 177.220 177.220 177.569 -0.349 18713 886 1 2 . 1 1 42 42 TYR CA C 42 60.350 60.350 61.823 -1.473 18713 887 1 2 . 1 1 42 42 TYR CB C 42 38.450 38.450 38.600 -0.150 18713 888 1 2 . 1 1 42 42 TYR H H 42 8.266 8.266 7.987 0.279 18713 889 1 2 . 1 1 43 43 LEU N N 43 119.630 119.630 119.534 0.096 18713 890 1 2 . 1 1 43 43 LEU HA H 43 3.812 3.812 3.862 -0.050 18713 891 1 2 . 1 1 43 43 LEU C C 43 177.790 177.790 178.636 -0.846 18713 892 1 2 . 1 1 43 43 LEU CA C 43 57.530 57.530 58.324 -0.794 18713 893 1 2 . 1 1 43 43 LEU CB C 43 41.990 41.990 41.856 0.134 18713 894 1 2 . 1 1 43 43 LEU H H 43 8.080 8.080 7.837 0.243 18713 895 1 2 . 1 1 44 44 VAL N N 44 118.320 118.320 118.752 -0.432 18713 896 1 2 . 1 1 44 44 VAL HA H 44 3.450 3.450 3.518 -0.068 18713 897 1 2 . 1 1 44 44 VAL C C 44 177.960 177.960 178.014 -0.054 18713 898 1 2 . 1 1 44 44 VAL CA C 44 67.150 67.150 66.990 0.160 18713 899 1 2 . 1 1 44 44 VAL CB C 44 31.250 31.250 31.336 -0.086 18713 900 1 2 . 1 1 44 44 VAL H H 44 8.415 8.415 7.958 0.457 18713 901 1 2 . 1 1 45 45 GLY N N 45 106.020 106.020 107.696 -1.676 18713 902 1 2 . 1 1 45 45 GLY C C 45 176.070 176.070 175.962 0.108 18713 903 1 2 . 1 1 45 45 GLY CA C 45 47.410 47.410 47.033 0.377 18713 904 1 2 . 1 1 45 45 GLY H H 45 7.747 7.747 7.833 -0.086 18713 905 1 2 . 1 1 46 46 LEU N N 46 122.340 122.340 123.952 -1.612 18713 906 1 2 . 1 1 46 46 LEU HA H 46 4.002 4.002 4.033 -0.031 18713 907 1 2 . 1 1 46 46 LEU C C 46 179.520 179.520 178.199 1.321 18713 908 1 2 . 1 1 46 46 LEU CA C 46 57.410 57.410 57.491 -0.081 18713 909 1 2 . 1 1 46 46 LEU CB C 46 42.350 42.350 41.908 0.441 18713 910 1 2 . 1 1 46 46 LEU H H 46 7.802 7.802 7.883 -0.081 18713 911 1 2 . 1 1 47 47 LEU N N 47 118.450 118.450 120.827 -2.377 18713 912 1 2 . 1 1 47 47 LEU HA H 47 4.169 4.169 3.964 0.205 18713 913 1 2 . 1 1 47 47 LEU C C 47 178.210 178.210 178.363 -0.153 18713 914 1 2 . 1 1 47 47 LEU CA C 47 56.950 56.950 58.158 -1.208 18713 915 1 2 . 1 1 47 47 LEU CB C 47 41.850 41.850 41.689 0.161 18713 916 1 2 . 1 1 47 47 LEU H H 47 8.082 8.082 8.558 -0.476 18713 917 1 2 . 1 1 48 48 GLU N N 48 116.980 116.980 117.341 -0.361 18713 918 1 2 . 1 1 48 48 GLU HA H 48 4.142 4.142 3.982 0.160 18713 919 1 2 . 1 1 48 48 GLU C C 48 177.120 177.120 178.215 -1.095 18713 920 1 2 . 1 1 48 48 GLU CA C 48 57.450 57.450 58.708 -1.258 18713 921 1 2 . 1 1 48 48 GLU CB C 48 30.010 30.010 29.790 0.220 18713 922 1 2 . 1 1 48 48 GLU H H 48 7.870 7.870 8.254 -0.384 18713 923 1 2 . 1 1 49 49 HIS N N 49 114.660 114.660 117.865 -3.205 18713 924 1 2 . 1 1 49 49 HIS HA H 49 4.878 4.878 4.402 0.476 18713 925 1 2 . 1 1 49 49 HIS C C 49 174.070 174.070 176.373 -2.303 18713 926 1 2 . 1 1 49 49 HIS CA C 49 55.760 55.760 58.322 -2.562 18713 927 1 2 . 1 1 49 49 HIS CB C 49 29.880 29.880 30.348 -0.468 18713 928 1 2 . 1 1 49 49 HIS H H 49 7.833 7.833 8.018 -0.185 18713 929 1 2 . 1 1 50 50 THR N N 50 113.050 113.050 113.239 -0.189 18713 930 1 2 . 1 1 50 50 THR HA H 50 4.571 4.571 4.167 0.404 18713 931 1 2 . 1 1 50 50 THR C C 50 173.390 173.390 174.004 -0.614 18713 932 1 2 . 1 1 50 50 THR CA C 50 61.880 61.880 61.166 0.714 18713 933 1 2 . 1 1 50 50 THR CB C 50 70.350 70.350 70.111 0.240 18713 934 1 2 . 1 1 50 50 THR H H 50 7.871 7.871 8.189 -0.318 18713 935 1 2 . 1 1 51 51 ASN N N 51 119.760 119.760 116.955 2.805 18713 936 1 2 . 1 1 51 51 ASN HA H 51 4.868 4.868 4.458 0.410 18713 937 1 2 . 1 1 51 51 ASN C C 51 175.440 175.440 176.740 -1.300 18713 938 1 2 . 1 1 51 51 ASN CA C 51 52.870 52.870 54.812 -1.942 18713 939 1 2 . 1 1 51 51 ASN CB C 51 38.470 38.470 37.547 0.923 18713 940 1 2 . 1 1 51 51 ASN H H 51 8.477 8.477 8.540 -0.063 18713 941 1 2 . 1 1 52 52 LEU N N 52 121.360 121.360 117.887 3.473 18713 942 1 2 . 1 1 52 52 LEU HA H 52 4.144 4.144 4.106 0.038 18713 943 1 2 . 1 1 52 52 LEU C C 52 177.440 177.440 178.523 -1.083 18713 944 1 2 . 1 1 52 52 LEU CA C 52 56.880 56.880 56.096 0.784 18713 945 1 2 . 1 1 52 52 LEU CB C 52 42.240 42.240 41.552 0.688 18713 946 1 2 . 1 1 52 52 LEU H H 52 8.089 8.089 8.069 0.020 18713 947 1 2 . 1 1 53 53 LEU N N 53 119.350 119.350 119.590 -0.240 18713 948 1 2 . 1 1 53 53 LEU HA H 53 4.255 4.255 4.000 0.255 18713 949 1 2 . 1 1 53 53 LEU C C 53 177.360 177.360 178.198 -0.838 18713 950 1 2 . 1 1 53 53 LEU CA C 53 56.010 56.010 57.149 -1.139 18713 951 1 2 . 1 1 53 53 LEU CB C 53 41.770 41.770 41.018 0.752 18713 952 1 2 . 1 1 53 53 LEU H H 53 8.165 8.165 7.935 0.230 18713 953 1 2 . 1 1 54 54 ALA N N 54 122.310 122.310 121.634 0.676 18713 954 1 2 . 1 1 54 54 ALA HA H 54 4.222 4.222 4.163 0.059 18713 955 1 2 . 1 1 54 54 ALA C C 54 177.620 177.620 178.446 -0.826 18713 956 1 2 . 1 1 54 54 ALA CA C 54 53.250 53.250 54.309 -1.059 18713 957 1 2 . 1 1 54 54 ALA CB C 54 18.820 18.820 18.342 0.478 18713 958 1 2 . 1 1 54 54 ALA H H 54 7.969 7.969 7.436 0.533 18713 959 1 2 . 1 1 55 55 LEU N N 55 117.930 117.930 117.224 0.706 18713 960 1 2 . 1 1 55 55 LEU HA H 55 4.233 4.233 4.296 -0.063 18713 961 1 2 . 1 1 55 55 LEU C C 55 176.740 176.740 176.359 0.381 18713 962 1 2 . 1 1 55 55 LEU CA C 55 55.420 55.420 54.118 1.302 18713 963 1 2 . 1 1 55 55 LEU CB C 55 42.350 42.350 41.769 0.581 18713 964 1 2 . 1 1 55 55 LEU H H 55 7.696 7.696 7.375 0.321 18713 965 1 2 . 1 1 56 56 HIS N N 56 117.120 117.120 117.336 -0.216 18713 966 1 2 . 1 1 56 56 HIS HA H 56 4.665 4.665 4.254 0.411 18713 967 1 2 . 1 1 56 56 HIS C C 56 174.150 174.150 173.930 0.220 18713 968 1 2 . 1 1 56 56 HIS CA C 56 55.420 55.420 56.602 -1.182 18713 969 1 2 . 1 1 56 56 HIS CB C 56 29.250 29.250 27.602 1.648 18713 970 1 2 . 1 1 56 56 HIS H H 56 8.196 8.196 7.764 0.432 18713 971 1 2 . 1 1 57 57 LEU N N 57 120.690 120.690 120.735 -0.045 18713 972 1 2 . 1 1 57 57 LEU HA H 57 4.414 4.414 4.371 0.043 18713 973 1 2 . 1 1 57 57 LEU C C 57 175.760 175.760 176.960 -1.200 18713 974 1 2 . 1 1 57 57 LEU CA C 57 55.410 55.410 54.623 0.787 18713 975 1 2 . 1 1 57 57 LEU CB C 57 42.470 42.470 43.262 -0.792 18713 976 1 2 . 1 1 57 57 LEU H H 57 7.989 7.989 7.711 0.278 18713 977 1 2 . 1 1 58 58 VAL N N 58 119.740 119.740 122.207 -2.467 18713 978 1 2 . 1 1 58 58 VAL HA H 58 4.485 4.485 4.423 0.062 18713 979 1 2 . 1 1 58 58 VAL C C 58 173.880 173.880 173.870 0.010 18713 980 1 2 . 1 1 58 58 VAL CA C 58 59.520 59.520 59.678 -0.158 18713 981 1 2 . 1 1 58 58 VAL CB C 58 32.710 32.710 32.537 0.173 18713 982 1 2 . 1 1 58 58 VAL H H 58 7.848 7.848 8.197 -0.349 18713 983 1 2 . 1 1 59 59 PRO HA H 59 4.449 4.449 4.559 -0.110 18713 984 1 2 . 1 1 59 59 PRO C C 59 174.250 174.250 176.332 -2.082 18713 985 1 2 . 1 1 59 59 PRO CA C 59 63.200 63.200 63.444 -0.244 18713 986 1 2 . 1 1 59 59 PRO CB C 59 32.120 32.120 32.559 -0.439 18713 987 1 2 . 1 1 60 60 ARG N N 60 121.450 121.450 123.031 -1.581 18713 988 1 2 . 1 1 60 60 ARG HA H 60 4.335 4.335 4.305 0.030 18713 989 1 2 . 1 1 60 60 ARG C C 60 176.620 176.620 176.884 -0.264 18713 990 1 2 . 1 1 60 60 ARG CA C 60 56.460 56.460 56.488 -0.028 18713 991 1 2 . 1 1 60 60 ARG CB C 60 30.720 30.720 30.357 0.363 18713 992 1 2 . 1 1 60 60 ARG H H 60 8.397 8.397 8.579 -0.182 18713 993 1 2 . 1 1 61 61 GLY N N 61 110.770 110.770 108.377 2.393 18713 994 1 2 . 1 1 61 61 GLY C C 61 174.090 174.090 175.247 -1.157 18713 995 1 2 . 1 1 61 61 GLY CA C 61 45.650 45.650 45.335 0.315 18713 996 1 2 . 1 1 61 61 GLY H H 61 8.541 8.541 8.192 0.349 18713 997 1 2 . 1 1 62 62 SER N N 62 115.890 115.890 115.425 0.465 18713 998 1 2 . 1 1 62 62 SER HA H 62 4.470 4.470 4.361 0.109 18713 999 1 2 . 1 1 62 62 SER C C 62 174.270 174.270 174.966 -0.696 18713 1000 1 2 . 1 1 62 62 SER CA C 62 58.750 58.750 59.531 -0.781 18713 1001 1 2 . 1 1 62 62 SER CB C 62 64.100 64.100 63.433 0.667 18713 1002 1 2 . 1 1 62 62 SER H H 62 8.145 8.145 8.397 -0.252 18713 1003 1 2 . 1 1 63 63 LYS N N 63 122.680 122.680 119.729 2.951 18713 1004 1 2 . 1 1 63 63 LYS HA H 63 4.372 4.372 4.546 -0.174 18713 1005 1 2 . 1 1 63 63 LYS C C 63 175.950 175.950 175.104 0.846 18713 1006 1 2 . 1 1 63 63 LYS CA C 63 56.120 56.120 54.872 1.248 18713 1007 1 2 . 1 1 63 63 LYS CB C 63 32.830 32.830 32.893 -0.063 18713 1008 1 2 . 1 1 63 63 LYS H H 63 8.336 8.336 7.607 0.729 18713 1009 1 2 . 1 1 64 64 ARG N N 64 120.930 120.930 125.704 -4.774 18713 1010 1 2 . 1 1 64 64 ARG HA H 64 4.395 4.395 4.328 0.067 18713 1011 1 2 . 1 1 64 64 ARG C C 64 175.550 175.550 176.076 -0.526 18713 1012 1 2 . 1 1 64 64 ARG CA C 64 56.350 56.350 56.375 -0.025 18713 1013 1 2 . 1 1 64 64 ARG CB C 64 30.950 30.950 30.622 0.328 18713 1014 1 2 . 1 1 64 64 ARG H H 64 8.187 8.187 8.652 -0.465 18713 1015 1 2 . 1 1 65 65 ILE N N 65 121.120 121.120 126.466 -5.346 18713 1016 1 2 . 1 1 65 65 ILE HA H 65 4.255 4.255 4.252 0.003 18713 1017 1 2 . 1 1 65 65 ILE C C 65 175.880 175.880 176.810 -0.930 18713 1018 1 2 . 1 1 65 65 ILE CA C 65 61.170 61.170 61.767 -0.597 18713 1019 1 2 . 1 1 65 65 ILE CB C 65 38.820 38.820 38.726 0.094 18713 1020 1 2 . 1 1 65 65 ILE H H 65 8.165 8.165 8.593 -0.428 18713 1021 1 2 . 1 1 66 66 SER N N 66 120.720 120.720 112.920 7.800 18713 1022 1 2 . 1 1 66 66 SER HA H 66 4.511 4.511 4.152 0.359 18713 1023 1 2 . 1 1 66 66 SER C C 66 174.490 174.490 175.259 -0.769 18713 1024 1 2 . 1 1 66 66 SER CA C 66 58.580 58.580 59.304 -0.724 18713 1025 1 2 . 1 1 66 66 SER CB C 66 64.110 64.110 62.170 1.940 18713 1026 1 2 . 1 1 66 66 SER H H 66 8.346 8.346 8.216 0.130 18713 1027 1 2 . 1 1 67 67 GLY N N 67 110.050 110.050 108.791 1.259 18713 1028 1 2 . 1 1 67 67 GLY C C 67 175.840 175.840 174.576 1.264 18713 1029 1 2 . 1 1 67 67 GLY CA C 67 45.480 45.480 45.426 0.054 18713 1030 1 2 . 1 1 67 67 GLY H H 67 8.275 8.275 8.429 -0.154 18713 1031 1 2 . 1 1 68 68 LEU N N 68 120.990 120.990 122.599 -1.609 18713 1032 1 2 . 1 1 68 68 LEU HA H 68 4.492 4.492 4.694 -0.202 18713 1033 1 2 . 1 1 68 68 LEU C C 68 177.450 177.450 176.944 0.506 18713 1034 1 2 . 1 1 68 68 LEU CA C 68 55.410 55.410 53.412 1.998 18713 1035 1 2 . 1 1 68 68 LEU CB C 68 42.710 42.710 41.311 1.399 18713 1036 1 2 . 1 1 68 68 LEU H H 68 8.057 8.057 7.914 0.143 18713 1037 1 2 . 1 1 70 70 TYR HA H 70 4.039 4.039 4.016 0.023 18713 1038 1 2 . 1 1 70 70 TYR CA C 70 61.650 61.650 62.462 -0.812 18713 1039 1 2 . 1 1 70 70 TYR CB C 70 38.250 38.250 38.195 0.055 18713 1040 1 2 . 1 1 71 71 GLU N N 71 117.580 117.580 119.433 -1.853 18713 1041 1 2 . 1 1 71 71 GLU HA H 71 4.173 4.173 3.916 0.257 18713 1042 1 2 . 1 1 71 71 GLU CA C 71 60.120 60.120 59.884 0.236 18713 1043 1 2 . 1 1 71 71 GLU CB C 71 29.080 29.080 29.185 -0.105 18713 1044 1 2 . 1 1 71 71 GLU H H 71 8.999 8.999 8.653 0.346 18713 1045 1 2 . 1 1 72 72 GLU N N 72 119.620 119.620 119.595 0.025 18713 1046 1 2 . 1 1 72 72 GLU HA H 72 4.165 4.165 4.034 0.131 18713 1047 1 2 . 1 1 72 72 GLU C C 72 178.090 178.090 179.371 -1.281 18713 1048 1 2 . 1 1 72 72 GLU CA C 72 58.350 58.350 59.229 -0.879 18713 1049 1 2 . 1 1 72 72 GLU CB C 72 29.880 29.880 29.770 0.110 18713 1050 1 2 . 1 1 72 72 GLU H H 72 7.760 7.760 7.772 -0.012 18713 1051 1 2 . 1 1 73 73 VAL N N 73 117.510 117.510 119.945 -2.435 18713 1052 1 2 . 1 1 73 73 VAL HA H 73 3.757 3.757 3.486 0.271 18713 1053 1 2 . 1 1 73 73 VAL C C 73 176.620 176.620 177.540 -0.920 18713 1054 1 2 . 1 1 73 73 VAL CA C 73 65.450 65.450 66.405 -0.955 18713 1055 1 2 . 1 1 73 73 VAL CB C 73 31.540 31.540 31.437 0.103 18713 1056 1 2 . 1 1 73 73 VAL H H 73 7.869 7.869 8.302 -0.433 18713 1057 1 2 . 1 1 74 74 ARG N N 74 120.440 120.440 120.199 0.241 18713 1058 1 2 . 1 1 74 74 ARG HA H 74 3.649 3.649 3.727 -0.078 18713 1059 1 2 . 1 1 74 74 ARG C C 74 176.860 176.860 178.130 -1.270 18713 1060 1 2 . 1 1 74 74 ARG CA C 74 59.950 59.950 59.461 0.489 18713 1061 1 2 . 1 1 74 74 ARG CB C 74 30.070 30.070 29.947 0.123 18713 1062 1 2 . 1 1 74 74 ARG H H 74 8.335 8.335 8.140 0.195 18713 1063 1 2 . 1 1 75 75 ALA N N 75 119.490 119.490 121.079 -1.589 18713 1064 1 2 . 1 1 75 75 ALA HA H 75 4.157 4.157 4.217 -0.060 18713 1065 1 2 . 1 1 75 75 ALA C C 75 180.380 180.380 179.864 0.516 18713 1066 1 2 . 1 1 75 75 ALA CA C 75 55.540 55.540 54.666 0.874 18713 1067 1 2 . 1 1 75 75 ALA CB C 75 18.320 18.320 18.366 -0.046 18713 1068 1 2 . 1 1 75 75 ALA H H 75 7.725 7.725 7.913 -0.188 18713 1069 1 2 . 1 1 76 76 VAL N N 76 116.910 116.910 119.729 -2.819 18713 1070 1 2 . 1 1 76 76 VAL HA H 76 4.125 4.125 3.846 0.279 18713 1071 1 2 . 1 1 76 76 VAL C C 76 178.340 178.340 177.327 1.013 18713 1072 1 2 . 1 1 76 76 VAL CA C 76 64.950 64.950 64.873 0.077 18713 1073 1 2 . 1 1 76 76 VAL CB C 76 31.820 31.820 31.536 0.284 18713 1074 1 2 . 1 1 76 76 VAL H H 76 7.814 7.814 7.802 0.012 18713 1075 1 2 . 1 1 77 77 LEU N N 77 121.020 121.020 120.683 0.337 18713 1076 1 2 . 1 1 77 77 LEU HA H 77 4.425 4.425 3.825 0.600 18713 1077 1 2 . 1 1 77 77 LEU C C 77 177.930 177.930 178.339 -0.409 18713 1078 1 2 . 1 1 77 77 LEU CA C 77 57.250 57.250 58.358 -1.108 18713 1079 1 2 . 1 1 77 77 LEU CB C 77 43.010 43.010 41.263 1.747 18713 1080 1 2 . 1 1 77 77 LEU H H 77 8.389 8.389 8.420 -0.031 18713 1081 1 2 . 1 1 78 78 LYS N N 78 120.530 120.530 120.107 0.423 18713 1082 1 2 . 1 1 78 78 LYS HA H 78 3.907 3.907 4.043 -0.136 18713 1083 1 2 . 1 1 78 78 LYS C C 78 177.320 177.320 178.392 -1.072 18713 1084 1 2 . 1 1 78 78 LYS CA C 78 61.350 61.350 60.573 0.777 18713 1085 1 2 . 1 1 78 78 LYS CB C 78 32.450 32.450 32.066 0.384 18713 1086 1 2 . 1 1 78 78 LYS H H 78 8.757 8.757 8.073 0.684 18713 1087 1 2 . 1 1 79 79 SER N N 79 113.040 113.040 115.039 -1.999 18713 1088 1 2 . 1 1 79 79 SER HA H 79 4.270 4.270 4.106 0.164 18713 1089 1 2 . 1 1 79 79 SER C C 79 177.320 177.320 176.490 0.830 18713 1090 1 2 . 1 1 79 79 SER CA C 79 62.250 62.250 61.647 0.603 18713 1091 1 2 . 1 1 79 79 SER CB C 79 63.050 63.050 62.970 0.080 18713 1092 1 2 . 1 1 79 79 SER H H 79 8.055 8.055 7.655 0.400 18713 1093 1 2 . 1 1 80 80 PHE N N 80 123.520 123.520 122.857 0.663 18713 1094 1 2 . 1 1 80 80 PHE HA H 80 4.255 4.255 4.224 0.031 18713 1095 1 2 . 1 1 80 80 PHE C C 80 176.480 176.480 176.969 -0.489 18713 1096 1 2 . 1 1 80 80 PHE CA C 80 60.650 60.650 61.092 -0.442 18713 1097 1 2 . 1 1 80 80 PHE CB C 80 39.450 39.450 38.995 0.455 18713 1098 1 2 . 1 1 80 80 PHE H H 80 7.734 7.734 8.078 -0.344 18713 1099 1 2 . 1 1 81 81 LEU N N 81 119.370 119.370 119.744 -0.374 18713 1100 1 2 . 1 1 81 81 LEU HA H 81 3.558 3.558 3.387 0.171 18713 1101 1 2 . 1 1 81 81 LEU C C 81 178.280 178.280 179.039 -0.759 18713 1102 1 2 . 1 1 81 81 LEU CA C 81 57.650 57.650 58.228 -0.578 18713 1103 1 2 . 1 1 81 81 LEU CB C 81 42.750 42.750 41.480 1.270 18713 1104 1 2 . 1 1 81 81 LEU H H 81 8.693 8.693 9.030 -0.337 18713 1105 1 2 . 1 1 82 82 GLU N N 82 118.350 118.350 118.650 -0.300 18713 1106 1 2 . 1 1 82 82 GLU HA H 82 3.785 3.785 3.905 -0.120 18713 1107 1 2 . 1 1 82 82 GLU C C 82 177.870 177.870 179.218 -1.348 18713 1108 1 2 . 1 1 82 82 GLU CA C 82 60.550 60.550 59.496 1.054 18713 1109 1 2 . 1 1 82 82 GLU CB C 82 29.280 29.280 28.980 0.300 18713 1110 1 2 . 1 1 82 82 GLU H H 82 8.869 8.869 8.698 0.171 18713 1111 1 2 . 1 1 83 83 SER N N 83 113.610 113.610 115.066 -1.456 18713 1112 1 2 . 1 1 83 83 SER HA H 83 4.165 4.165 4.197 -0.032 18713 1113 1 2 . 1 1 83 83 SER C C 83 177.830 177.830 176.605 1.225 18713 1114 1 2 . 1 1 83 83 SER CA C 83 61.150 61.150 61.000 0.150 18713 1115 1 2 . 1 1 83 83 SER CB C 83 62.750 62.750 62.504 0.246 18713 1116 1 2 . 1 1 83 83 SER H H 83 7.474 7.474 8.187 -0.713 18713 1117 1 2 . 1 1 84 84 VAL N N 84 121.040 121.040 121.903 -0.863 18713 1118 1 2 . 1 1 84 84 VAL HA H 84 3.660 3.660 3.568 0.092 18713 1119 1 2 . 1 1 84 84 VAL C C 84 179.270 179.270 178.081 1.189 18713 1120 1 2 . 1 1 84 84 VAL CA C 84 65.750 65.750 66.671 -0.921 18713 1121 1 2 . 1 1 84 84 VAL CB C 84 32.030 32.030 30.904 1.126 18713 1122 1 2 . 1 1 84 84 VAL H H 84 7.668 7.668 7.995 -0.327 18713 1123 1 2 . 1 1 85 85 ILE N N 85 123.350 123.350 119.788 3.562 18713 1124 1 2 . 1 1 85 85 ILE HA H 85 3.537 3.537 3.551 -0.014 18713 1125 1 2 . 1 1 85 85 ILE C C 85 176.550 176.550 177.948 -1.398 18713 1126 1 2 . 1 1 85 85 ILE CA C 85 66.710 66.710 65.660 1.050 18713 1127 1 2 . 1 1 85 85 ILE CB C 85 36.210 36.210 37.425 -1.215 18713 1128 1 2 . 1 1 85 85 ILE H H 85 9.086 9.086 7.970 1.116 18713 1129 1 2 . 1 1 86 86 ARG N N 86 120.150 120.150 119.587 0.563 18713 1130 1 2 . 1 1 86 86 ARG HA H 86 3.802 3.802 3.928 -0.126 18713 1131 1 2 . 1 1 86 86 ARG C C 86 178.920 178.920 178.991 -0.071 18713 1132 1 2 . 1 1 86 86 ARG CA C 86 59.980 59.980 60.182 -0.202 18713 1133 1 2 . 1 1 86 86 ARG CB C 86 29.650 29.650 29.901 -0.252 18713 1134 1 2 . 1 1 86 86 ARG H H 86 8.125 8.125 7.726 0.399 18713 1135 1 2 . 1 1 87 87 ASP N N 87 118.810 118.810 120.066 -1.256 18713 1136 1 2 . 1 1 87 87 ASP HA H 87 4.537 4.537 4.515 0.022 18713 1137 1 2 . 1 1 87 87 ASP C C 87 178.050 178.050 178.748 -0.698 18713 1138 1 2 . 1 1 87 87 ASP CA C 87 57.140 57.140 56.830 0.310 18713 1139 1 2 . 1 1 87 87 ASP CB C 87 40.520 40.520 40.281 0.239 18713 1140 1 2 . 1 1 87 87 ASP H H 87 7.668 7.668 8.372 -0.704 18713 1141 1 2 . 1 1 88 88 SER N N 88 119.350 119.350 117.575 1.775 18713 1142 1 2 . 1 1 88 88 SER HA H 88 4.166 4.166 4.747 -0.581 18713 1143 1 2 . 1 1 88 88 SER C C 88 175.350 175.350 176.706 -1.356 18713 1144 1 2 . 1 1 88 88 SER CA C 88 57.170 57.170 61.608 -4.438 18713 1145 1 2 . 1 1 88 88 SER CB C 88 64.050 64.050 63.455 0.596 18713 1146 1 2 . 1 1 88 88 SER H H 88 8.506 8.506 8.338 0.168 18713 1147 1 2 . 1 1 89 89 VAL N N 89 121.240 121.240 122.434 -1.194 18713 1148 1 2 . 1 1 89 89 VAL HA H 89 3.611 3.611 3.927 -0.316 18713 1149 1 2 . 1 1 89 89 VAL C C 89 177.440 177.440 178.404 -0.964 18713 1150 1 2 . 1 1 89 89 VAL CA C 89 65.990 65.990 66.620 -0.630 18713 1151 1 2 . 1 1 89 89 VAL CB C 89 31.240 31.240 30.997 0.242 18713 1152 1 2 . 1 1 89 89 VAL H H 89 8.505 8.505 8.913 -0.408 18713 1153 1 2 . 1 1 90 90 THR N N 90 117.040 117.040 117.837 -0.797 18713 1154 1 2 . 1 1 90 90 THR HA H 90 4.013 4.013 3.953 0.060 18713 1155 1 2 . 1 1 90 90 THR C C 90 177.410 177.410 177.070 0.340 18713 1156 1 2 . 1 1 90 90 THR CA C 90 66.550 66.550 67.358 -0.808 18713 1157 1 2 . 1 1 90 90 THR CB C 90 68.220 68.220 68.525 -0.305 18713 1158 1 2 . 1 1 90 90 THR H H 90 8.016 8.016 7.654 0.362 18713 1159 1 2 . 1 1 91 91 TYR N N 91 122.770 122.770 120.450 2.320 18713 1160 1 2 . 1 1 91 91 TYR HA H 91 4.162 4.162 4.400 -0.238 18713 1161 1 2 . 1 1 91 91 TYR C C 91 178.180 178.180 178.480 -0.300 18713 1162 1 2 . 1 1 91 91 TYR CA C 91 62.470 62.470 61.288 1.182 18713 1163 1 2 . 1 1 91 91 TYR CB C 91 38.030 38.030 37.811 0.219 18713 1164 1 2 . 1 1 91 91 TYR H H 91 7.822 7.822 8.103 -0.281 18713 1165 1 2 . 1 1 92 92 THR N N 92 119.350 119.350 113.695 5.655 18713 1166 1 2 . 1 1 92 92 THR HA H 92 3.678 3.678 4.052 -0.374 18713 1167 1 2 . 1 1 92 92 THR C C 92 175.880 175.880 177.232 -1.352 18713 1168 1 2 . 1 1 92 92 THR CA C 92 67.390 67.390 66.121 1.269 18713 1169 1 2 . 1 1 92 92 THR CB C 92 69.190 69.190 68.375 0.815 18713 1170 1 2 . 1 1 92 92 THR H H 92 8.160 8.160 8.839 -0.679 18713 1171 1 2 . 1 1 93 93 GLU N N 93 118.840 118.840 122.287 -3.447 18713 1172 1 2 . 1 1 93 93 GLU HA H 93 4.238 4.238 4.096 0.142 18713 1173 1 2 . 1 1 93 93 GLU C C 93 181.340 181.340 179.396 1.944 18713 1174 1 2 . 1 1 93 93 GLU CA C 93 58.290 58.290 59.373 -1.083 18713 1175 1 2 . 1 1 93 93 GLU CB C 93 28.890 28.890 28.879 0.011 18713 1176 1 2 . 1 1 93 93 GLU H H 93 8.514 8.514 8.975 -0.461 18713 1177 1 2 . 1 1 94 94 HIS N N 94 120.870 120.870 120.301 0.569 18713 1178 1 2 . 1 1 94 94 HIS HA H 94 4.465 4.465 4.323 0.142 18713 1179 1 2 . 1 1 94 94 HIS C C 94 175.390 175.390 175.467 -0.077 18713 1180 1 2 . 1 1 94 94 HIS CA C 94 58.250 58.250 58.859 -0.609 18713 1181 1 2 . 1 1 94 94 HIS CB C 94 28.110 28.110 29.953 -1.843 18713 1182 1 2 . 1 1 94 94 HIS H H 94 8.531 8.531 8.156 0.375 18713 1183 1 2 . 1 1 95 95 ALA N N 95 121.010 121.010 119.418 1.592 18713 1184 1 2 . 1 1 95 95 ALA HA H 95 4.335 4.335 4.463 -0.128 18713 1185 1 2 . 1 1 95 95 ALA C C 95 175.380 175.380 175.614 -0.234 18713 1186 1 2 . 1 1 95 95 ALA CA C 95 51.750 51.750 51.154 0.596 18713 1187 1 2 . 1 1 95 95 ALA CB C 95 18.710 18.710 19.076 -0.366 18713 1188 1 2 . 1 1 95 95 ALA H H 95 7.525 7.525 7.686 -0.161 18713 1189 1 2 . 1 1 96 96 LYS N N 96 115.990 115.990 114.833 1.157 18713 1190 1 2 . 1 1 96 96 LYS HA H 96 3.955 3.955 3.857 0.098 18713 1191 1 2 . 1 1 96 96 LYS C C 96 175.020 175.020 176.087 -1.067 18713 1192 1 2 . 1 1 96 96 LYS CA C 96 56.590 56.590 57.324 -0.734 18713 1193 1 2 . 1 1 96 96 LYS CB C 96 28.650 28.650 29.375 -0.725 18713 1194 1 2 . 1 1 96 96 LYS H H 96 8.232 8.232 8.040 0.192 18713 1195 1 2 . 1 1 97 97 ARG N N 97 116.850 116.850 120.145 -3.295 18713 1196 1 2 . 1 1 97 97 ARG HA H 97 4.651 4.651 4.411 0.240 18713 1197 1 2 . 1 1 97 97 ARG C C 97 175.250 175.250 174.300 0.950 18713 1198 1 2 . 1 1 97 97 ARG CA C 97 55.010 55.010 54.812 0.198 18713 1199 1 2 . 1 1 97 97 ARG CB C 97 35.170 35.170 33.368 1.802 18713 1200 1 2 . 1 1 97 97 ARG H H 97 7.685 7.685 8.689 -1.004 18713 1201 1 2 . 1 1 98 98 LYS N N 98 115.990 115.990 121.026 -5.036 18713 1202 1 2 . 1 1 98 98 LYS HA H 98 4.409 4.409 4.600 -0.191 18713 1203 1 2 . 1 1 98 98 LYS C C 98 174.320 174.320 174.301 0.019 18713 1204 1 2 . 1 1 98 98 LYS CA C 98 54.500 54.500 55.341 -0.841 18713 1205 1 2 . 1 1 98 98 LYS CB C 98 33.590 33.590 31.541 2.049 18713 1206 1 2 . 1 1 98 98 LYS H H 98 8.232 8.232 8.412 -0.180 18713 1207 1 2 . 1 1 99 99 THR N N 99 114.310 114.310 115.344 -1.034 18713 1208 1 2 . 1 1 99 99 THR HA H 99 4.769 4.769 4.740 0.029 18713 1209 1 2 . 1 1 99 99 THR C C 99 172.170 172.170 172.734 -0.564 18713 1210 1 2 . 1 1 99 99 THR CA C 99 60.510 60.510 61.858 -1.348 18713 1211 1 2 . 1 1 99 99 THR CB C 99 70.180 70.180 72.361 -2.181 18713 1212 1 2 . 1 1 99 99 THR H H 99 6.768 6.768 7.752 -0.984 18713 1213 1 2 . 1 1 100 100 VAL N N 100 128.820 128.820 124.504 4.316 18713 1214 1 2 . 1 1 100 100 VAL HA H 100 3.987 3.987 4.130 -0.143 18713 1215 1 2 . 1 1 100 100 VAL C C 100 175.690 175.690 174.697 0.993 18713 1216 1 2 . 1 1 100 100 VAL CA C 100 61.950 61.950 60.779 1.171 18713 1217 1 2 . 1 1 100 100 VAL CB C 100 32.290 32.290 32.420 -0.130 18713 1218 1 2 . 1 1 100 100 VAL H H 100 8.690 8.690 9.106 -0.416 18713 1219 1 2 . 1 1 101 101 THR N N 101 118.310 118.310 115.962 2.348 18713 1220 1 2 . 1 1 101 101 THR HA H 101 4.798 4.798 4.709 0.089 18713 1221 1 2 . 1 1 101 101 THR C C 101 176.460 176.460 175.096 1.364 18713 1222 1 2 . 1 1 101 101 THR CA C 101 59.990 59.990 59.616 0.374 18713 1223 1 2 . 1 1 101 101 THR CB C 101 72.550 72.550 71.769 0.781 18713 1224 1 2 . 1 1 101 101 THR H H 101 9.263 9.263 8.231 1.032 18713 1225 1 2 . 1 1 102 102 SER N N 102 115.810 115.810 118.289 -2.479 18713 1226 1 2 . 1 1 102 102 SER HA H 102 3.913 3.913 4.104 -0.191 18713 1227 1 2 . 1 1 102 102 SER C C 102 175.210 175.210 176.269 -1.059 18713 1228 1 2 . 1 1 102 102 SER CA C 102 61.850 61.850 60.944 0.906 18713 1229 1 2 . 1 1 102 102 SER CB C 102 61.850 61.850 62.879 -1.029 18713 1230 1 2 . 1 1 102 102 SER H H 102 9.148 9.148 8.839 0.309 18713 1231 1 2 . 1 1 103 103 LEU N N 103 121.540 121.540 123.616 -2.076 18713 1232 1 2 . 1 1 103 103 LEU HA H 103 3.965 3.965 4.122 -0.157 18713 1233 1 2 . 1 1 103 103 LEU C C 103 177.780 177.780 178.192 -0.412 18713 1234 1 2 . 1 1 103 103 LEU CA C 103 57.630 57.630 57.417 0.213 18713 1235 1 2 . 1 1 103 103 LEU CB C 103 41.430 41.430 40.652 0.778 18713 1236 1 2 . 1 1 103 103 LEU H H 103 7.389 7.389 7.828 -0.439 18713 1237 1 2 . 1 1 104 104 ASP N N 104 120.260 120.260 118.648 1.612 18713 1238 1 2 . 1 1 104 104 ASP HA H 104 4.240 4.240 4.027 0.213 18713 1239 1 2 . 1 1 104 104 ASP C C 104 177.230 177.230 178.653 -1.423 18713 1240 1 2 . 1 1 104 104 ASP CA C 104 58.140 58.140 56.942 1.198 18713 1241 1 2 . 1 1 104 104 ASP CB C 104 41.050 41.050 40.594 0.456 18713 1242 1 2 . 1 1 104 104 ASP H H 104 7.240 7.240 7.659 -0.419 18713 1243 1 2 . 1 1 105 105 VAL N N 105 118.230 118.230 119.963 -1.733 18713 1244 1 2 . 1 1 105 105 VAL HA H 105 4.025 4.025 3.720 0.305 18713 1245 1 2 . 1 1 105 105 VAL C C 105 177.550 177.550 178.263 -0.713 18713 1246 1 2 . 1 1 105 105 VAL CA C 105 65.270 65.270 66.635 -1.365 18713 1247 1 2 . 1 1 105 105 VAL CB C 105 31.570 31.570 31.519 0.051 18713 1248 1 2 . 1 1 105 105 VAL H H 105 7.150 7.150 7.575 -0.425 18713 1249 1 2 . 1 1 106 106 VAL N N 106 120.450 120.450 120.633 -0.183 18713 1250 1 2 . 1 1 106 106 VAL HA H 106 3.512 3.512 3.591 -0.079 18713 1251 1 2 . 1 1 106 106 VAL C C 106 178.520 178.520 178.348 0.172 18713 1252 1 2 . 1 1 106 106 VAL CA C 106 67.440 67.440 67.180 0.260 18713 1253 1 2 . 1 1 106 106 VAL CB C 106 31.770 31.770 31.807 -0.037 18713 1254 1 2 . 1 1 106 106 VAL H H 106 8.380 8.380 8.015 0.365 18713 1255 1 2 . 1 1 107 107 TYR N N 107 120.160 120.160 119.196 0.964 18713 1256 1 2 . 1 1 107 107 TYR HA H 107 4.113 4.113 4.050 0.063 18713 1257 1 2 . 1 1 107 107 TYR C C 107 177.950 177.950 177.759 0.191 18713 1258 1 2 . 1 1 107 107 TYR CA C 107 60.150 60.150 60.065 0.085 18713 1259 1 2 . 1 1 107 107 TYR CB C 107 36.210 36.210 36.784 -0.574 18713 1260 1 2 . 1 1 107 107 TYR H H 107 8.246 8.246 8.198 0.048 18713 1261 1 2 . 1 1 108 108 ALA N N 108 123.660 123.660 122.283 1.377 18713 1262 1 2 . 1 1 108 108 ALA HA H 108 4.018 4.018 4.170 -0.152 18713 1263 1 2 . 1 1 108 108 ALA C C 108 180.350 180.350 179.929 0.421 18713 1264 1 2 . 1 1 108 108 ALA CA C 108 55.670 55.670 55.107 0.563 18713 1265 1 2 . 1 1 108 108 ALA CB C 108 20.650 20.650 18.429 2.221 18713 1266 1 2 . 1 1 108 108 ALA H H 108 7.912 7.912 8.163 -0.251 18713 1267 1 2 . 1 1 109 109 LEU N N 109 119.820 119.820 119.265 0.555 18713 1268 1 2 . 1 1 109 109 LEU HA H 109 3.887 3.887 4.086 -0.199 18713 1269 1 2 . 1 1 109 109 LEU C C 109 179.290 179.290 179.280 0.010 18713 1270 1 2 . 1 1 109 109 LEU CA C 109 57.870 57.870 57.337 0.533 18713 1271 1 2 . 1 1 109 109 LEU CB C 109 41.430 41.430 41.885 -0.455 18713 1272 1 2 . 1 1 109 109 LEU H H 109 8.727 8.727 8.328 0.399 18713 1273 1 2 . 1 1 110 110 LYS N N 110 120.420 120.420 119.970 0.450 18713 1274 1 2 . 1 1 110 110 LYS HA H 110 4.158 4.158 4.165 -0.007 18713 1275 1 2 . 1 1 110 110 LYS C C 110 179.470 179.470 179.748 -0.278 18713 1276 1 2 . 1 1 110 110 LYS CA C 110 58.850 58.850 59.293 -0.443 18713 1277 1 2 . 1 1 110 110 LYS CB C 110 32.050 32.050 32.467 -0.416 18713 1278 1 2 . 1 1 110 110 LYS H H 110 8.180 8.180 8.387 -0.207 18713 1279 1 2 . 1 1 111 111 ARG N N 111 119.820 119.820 116.969 2.851 18713 1280 1 2 . 1 1 111 111 ARG HA H 111 4.142 4.142 4.217 -0.075 18713 1281 1 2 . 1 1 111 111 ARG C C 111 177.240 177.240 178.397 -1.157 18713 1282 1 2 . 1 1 111 111 ARG CA C 111 58.150 58.150 58.261 -0.111 18713 1283 1 2 . 1 1 111 111 ARG CB C 111 29.810 29.810 29.819 -0.009 18713 1284 1 2 . 1 1 111 111 ARG H H 111 7.765 7.765 7.940 -0.175 18713 1285 1 2 . 1 1 112 112 GLN N N 112 116.120 116.120 118.348 -2.228 18713 1286 1 2 . 1 1 112 112 GLN HA H 112 4.435 4.435 4.294 0.141 18713 1287 1 2 . 1 1 112 112 GLN C C 112 176.060 176.060 176.168 -0.108 18713 1288 1 2 . 1 1 112 112 GLN CA C 112 55.550 55.550 56.254 -0.704 18713 1289 1 2 . 1 1 112 112 GLN CB C 112 28.760 28.760 29.388 -0.628 18713 1290 1 2 . 1 1 112 112 GLN H H 112 7.856 7.856 7.653 0.203 18713 1291 1 2 . 1 1 113 113 GLY N N 113 108.070 108.070 107.299 0.771 18713 1292 1 2 . 1 1 113 113 GLY C C 113 174.240 174.240 173.744 0.496 18713 1293 1 2 . 1 1 113 113 GLY CA C 113 45.953 45.953 44.537 1.416 18713 1294 1 2 . 1 1 113 113 GLY H H 113 8.048 8.048 7.672 0.376 18713 1295 1 2 . 1 1 114 114 ARG N N 114 119.710 119.710 120.273 -0.563 18713 1296 1 2 . 1 1 114 114 ARG HA H 114 4.565 4.565 4.657 -0.092 18713 1297 1 2 . 1 1 114 114 ARG C C 114 175.490 175.490 176.493 -1.003 18713 1298 1 2 . 1 1 114 114 ARG CA C 114 57.950 57.950 54.311 3.639 18713 1299 1 2 . 1 1 114 114 ARG CB C 114 31.510 31.510 32.376 -0.866 18713 1300 1 2 . 1 1 114 114 ARG H H 114 8.116 8.116 7.502 0.614 18713 1301 1 2 . 1 1 115 115 THR N N 115 114.890 114.890 112.330 2.560 18713 1302 1 2 . 1 1 115 115 THR HA H 115 4.262 4.262 3.784 0.478 18713 1303 1 2 . 1 1 115 115 THR C C 115 173.460 173.460 173.703 -0.243 18713 1304 1 2 . 1 1 115 115 THR CA C 115 61.820 61.820 63.178 -1.358 18713 1305 1 2 . 1 1 115 115 THR CB C 115 70.050 70.050 67.850 2.200 18713 1306 1 2 . 1 1 115 115 THR H H 115 8.143 8.143 8.476 -0.333 18713 1307 1 2 . 1 1 116 116 LEU N N 116 124.070 124.070 119.588 4.482 18713 1308 1 2 . 1 1 116 116 LEU HA H 116 4.425 4.425 4.258 0.167 18713 1309 1 2 . 1 1 116 116 LEU C C 116 175.830 175.830 177.459 -1.629 18713 1310 1 2 . 1 1 116 116 LEU CA C 116 54.760 54.760 54.846 -0.087 18713 1311 1 2 . 1 1 116 116 LEU CB C 116 43.280 43.280 42.975 0.305 18713 1312 1 2 . 1 1 116 116 LEU H H 116 8.143 8.143 7.425 0.718 18713 1313 1 2 . 1 1 117 117 TYR N N 117 121.630 121.630 120.836 0.794 18713 1314 1 2 . 1 1 117 117 TYR HA H 117 4.550 4.550 4.705 -0.155 18713 1315 1 2 . 1 1 117 117 TYR C C 117 175.830 175.830 176.589 -0.759 18713 1316 1 2 . 1 1 117 117 TYR CA C 117 58.140 58.140 58.317 -0.177 18713 1317 1 2 . 1 1 117 117 TYR CB C 117 38.850 38.850 39.380 -0.530 18713 1318 1 2 . 1 1 117 117 TYR H H 117 8.213 8.213 8.375 -0.162 18713 1319 1 2 . 1 1 118 118 GLY N N 118 110.050 110.050 106.706 3.344 18713 1320 1 2 . 1 1 118 118 GLY C C 118 173.660 173.660 173.990 -0.330 18713 1321 1 2 . 1 1 118 118 GLY CA C 118 45.470 45.470 45.239 0.231 18713 1322 1 2 . 1 1 118 118 GLY H H 118 8.275 8.275 8.050 0.225 18713 1323 1 2 . 1 1 119 119 PHE N N 119 119.610 119.610 119.697 -0.087 18713 1324 1 2 . 1 1 119 119 PHE HA H 119 4.612 4.612 4.683 -0.071 18713 1325 1 2 . 1 1 119 119 PHE C C 119 175.280 175.280 175.734 -0.454 18713 1326 1 2 . 1 1 119 119 PHE CA C 119 58.060 58.060 57.224 0.836 18713 1327 1 2 . 1 1 119 119 PHE CB C 119 40.050 40.050 39.798 0.252 18713 1328 1 2 . 1 1 119 119 PHE H H 119 8.033 8.033 8.123 -0.090 18713 1329 1 2 . 1 1 120 120 GLY N N 120 110.930 110.930 109.549 1.381 18713 1330 1 2 . 1 1 120 120 GLY C C 120 173.050 173.050 174.103 -1.053 18713 1331 1 2 . 1 1 120 120 GLY CA C 120 45.650 45.650 44.919 0.731 18713 1332 1 2 . 1 1 120 120 GLY H H 120 8.334 8.334 7.903 0.431 18713 1333 1 3 . 1 1 2 2 ILE HA H 2 4.175 4.175 3.922 0.253 18713 1334 1 3 . 1 1 2 2 ILE CA C 2 61.880 61.880 63.471 -1.591 18713 1335 1 3 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.643 0.127 18713 1336 1 3 . 1 1 3 3 SER N N 3 116.020 116.020 115.478 0.542 18713 1337 1 3 . 1 1 3 3 SER HA H 3 4.435 4.435 4.325 0.110 18713 1338 1 3 . 1 1 3 3 SER CA C 3 59.590 59.590 59.584 0.006 18713 1339 1 3 . 1 1 3 3 SER CB C 3 63.640 63.640 63.427 0.213 18713 1340 1 3 . 1 1 3 3 SER H H 3 7.913 7.913 7.920 -0.007 18713 1341 1 3 . 1 1 4 4 LYS N N 4 120.030 120.030 118.496 1.534 18713 1342 1 3 . 1 1 4 4 LYS HA H 4 4.380 4.380 4.119 0.261 18713 1343 1 3 . 1 1 4 4 LYS CA C 4 56.150 56.150 57.082 -0.932 18713 1344 1 3 . 1 1 4 4 LYS CB C 4 32.850 32.850 32.134 0.716 18713 1345 1 3 . 1 1 4 4 LYS H H 4 7.979 7.979 7.729 0.250 18713 1346 1 3 . 1 1 7 7 PHE HA H 7 4.023 4.023 4.226 -0.203 18713 1347 1 3 . 1 1 7 7 PHE C C 7 176.700 176.700 176.486 0.214 18713 1348 1 3 . 1 1 7 7 PHE CA C 7 63.150 63.150 60.668 2.482 18713 1349 1 3 . 1 1 7 7 PHE CB C 7 39.880 39.880 38.439 1.441 18713 1350 1 3 . 1 1 8 8 ALA N N 8 121.230 121.230 122.240 -1.010 18713 1351 1 3 . 1 1 8 8 ALA HA H 8 3.920 3.920 4.089 -0.169 18713 1352 1 3 . 1 1 8 8 ALA C C 8 178.010 178.010 179.647 -1.637 18713 1353 1 3 . 1 1 8 8 ALA CA C 8 55.630 55.630 55.286 0.344 18713 1354 1 3 . 1 1 8 8 ALA CB C 8 17.750 17.750 18.264 -0.513 18713 1355 1 3 . 1 1 8 8 ALA H H 8 8.715 8.715 8.761 -0.046 18713 1356 1 3 . 1 1 9 9 ARG N N 9 118.910 118.910 118.145 0.765 18713 1357 1 3 . 1 1 9 9 ARG HA H 9 4.081 4.081 3.945 0.136 18713 1358 1 3 . 1 1 9 9 ARG C C 9 177.790 177.790 178.810 -1.020 18713 1359 1 3 . 1 1 9 9 ARG CA C 9 58.700 58.700 59.472 -0.772 18713 1360 1 3 . 1 1 9 9 ARG CB C 9 30.120 30.120 30.074 0.046 18713 1361 1 3 . 1 1 9 9 ARG H H 9 7.618 7.618 7.677 -0.059 18713 1362 1 3 . 1 1 10 10 LEU N N 10 120.830 120.830 120.707 0.123 18713 1363 1 3 . 1 1 10 10 LEU HA H 10 4.233 4.233 4.003 0.230 18713 1364 1 3 . 1 1 10 10 LEU C C 10 177.780 177.780 178.668 -0.888 18713 1365 1 3 . 1 1 10 10 LEU CA C 10 57.680 57.680 57.901 -0.221 18713 1366 1 3 . 1 1 10 10 LEU CB C 10 41.680 41.680 41.365 0.315 18713 1367 1 3 . 1 1 10 10 LEU H H 10 7.752 7.752 7.776 -0.024 18713 1368 1 3 . 1 1 11 11 VAL N N 11 117.150 117.150 120.001 -2.851 18713 1369 1 3 . 1 1 11 11 VAL HA H 11 3.425 3.425 3.424 0.001 18713 1370 1 3 . 1 1 11 11 VAL C C 11 177.830 177.830 178.051 -0.221 18713 1371 1 3 . 1 1 11 11 VAL CA C 11 66.930 66.930 67.584 -0.654 18713 1372 1 3 . 1 1 11 11 VAL CB C 11 31.520 31.520 31.591 -0.071 18713 1373 1 3 . 1 1 11 11 VAL H H 11 8.180 8.180 8.632 -0.452 18713 1374 1 3 . 1 1 12 12 LYS N N 12 121.880 121.880 119.550 2.330 18713 1375 1 3 . 1 1 12 12 LYS HA H 12 3.998 3.998 3.967 0.031 18713 1376 1 3 . 1 1 12 12 LYS C C 12 176.790 176.790 179.003 -2.213 18713 1377 1 3 . 1 1 12 12 LYS CA C 12 58.950 58.950 60.048 -1.098 18713 1378 1 3 . 1 1 12 12 LYS CB C 12 32.120 32.120 31.992 0.128 18713 1379 1 3 . 1 1 12 12 LYS H H 12 7.668 7.668 8.470 -0.802 18713 1380 1 3 . 1 1 13 13 GLU N N 13 118.250 118.250 119.599 -1.349 18713 1381 1 3 . 1 1 13 13 GLU HA H 13 4.085 4.085 3.925 0.160 18713 1382 1 3 . 1 1 13 13 GLU C C 13 179.280 179.280 178.866 0.414 18713 1383 1 3 . 1 1 13 13 GLU CA C 13 59.650 59.650 59.348 0.302 18713 1384 1 3 . 1 1 13 13 GLU CB C 13 29.770 29.770 29.548 0.222 18713 1385 1 3 . 1 1 13 13 GLU H H 13 8.149 8.149 8.034 0.115 18713 1386 1 3 . 1 1 14 14 VAL N N 14 117.450 117.450 119.839 -2.389 18713 1387 1 3 . 1 1 14 14 VAL HA H 14 4.007 4.007 3.470 0.537 18713 1388 1 3 . 1 1 14 14 VAL C C 14 178.350 178.350 177.929 0.421 18713 1389 1 3 . 1 1 14 14 VAL CA C 14 66.220 66.220 66.409 -0.189 18713 1390 1 3 . 1 1 14 14 VAL CB C 14 31.250 31.250 31.003 0.247 18713 1391 1 3 . 1 1 14 14 VAL H H 14 7.974 7.974 8.481 -0.507 18713 1392 1 3 . 1 1 15 15 THR N N 15 113.780 113.780 116.394 -2.614 18713 1393 1 3 . 1 1 15 15 THR HA H 15 3.771 3.771 3.651 0.120 18713 1394 1 3 . 1 1 15 15 THR C C 15 178.190 178.190 176.384 1.806 18713 1395 1 3 . 1 1 15 15 THR CA C 15 66.990 66.990 67.202 -0.212 18713 1396 1 3 . 1 1 15 15 THR CB C 15 68.590 68.590 68.305 0.285 18713 1397 1 3 . 1 1 15 15 THR H H 15 8.569 8.569 8.343 0.226 18713 1398 1 3 . 1 1 16 16 ASP N N 16 123.420 123.420 121.449 1.971 18713 1399 1 3 . 1 1 16 16 ASP HA H 16 4.545 4.545 4.356 0.189 18713 1400 1 3 . 1 1 16 16 ASP C C 16 178.450 178.450 177.922 0.528 18713 1401 1 3 . 1 1 16 16 ASP CA C 16 57.410 57.410 57.000 0.410 18713 1402 1 3 . 1 1 16 16 ASP CB C 16 39.880 39.880 39.721 0.159 18713 1403 1 3 . 1 1 16 16 ASP H H 16 8.664 8.664 8.266 0.398 18713 1404 1 3 . 1 1 17 17 GLU N N 17 120.180 120.180 118.200 1.980 18713 1405 1 3 . 1 1 17 17 GLU HA H 17 4.089 4.089 4.074 0.015 18713 1406 1 3 . 1 1 17 17 GLU C C 17 178.220 178.220 179.723 -1.503 18713 1407 1 3 . 1 1 17 17 GLU CA C 17 59.050 59.050 58.927 0.123 18713 1408 1 3 . 1 1 17 17 GLU CB C 17 28.850 28.850 29.408 -0.558 18713 1409 1 3 . 1 1 17 17 GLU H H 17 7.705 7.705 7.484 0.221 18713 1410 1 3 . 1 1 18 18 PHE N N 18 117.450 117.450 118.336 -0.886 18713 1411 1 3 . 1 1 18 18 PHE HA H 18 4.396 4.396 4.496 -0.100 18713 1412 1 3 . 1 1 18 18 PHE C C 18 177.130 177.130 178.006 -0.876 18713 1413 1 3 . 1 1 18 18 PHE CA C 18 60.720 60.720 58.214 2.506 18713 1414 1 3 . 1 1 18 18 PHE CB C 18 39.880 39.880 38.203 1.677 18713 1415 1 3 . 1 1 18 18 PHE H H 18 7.911 7.911 7.437 0.474 18713 1416 1 3 . 1 1 19 19 THR N N 19 115.450 115.450 113.889 1.561 18713 1417 1 3 . 1 1 19 19 THR HA H 19 4.510 4.510 4.397 0.113 18713 1418 1 3 . 1 1 19 19 THR C C 19 175.160 175.160 174.996 0.164 18713 1419 1 3 . 1 1 19 19 THR CA C 19 63.880 63.880 63.681 0.199 18713 1420 1 3 . 1 1 19 19 THR CB C 19 69.450 69.450 67.705 1.745 18713 1421 1 3 . 1 1 19 19 THR H H 19 8.270 8.270 8.725 -0.455 18713 1422 1 3 . 1 1 20 20 THR N N 20 114.370 114.370 116.247 -1.877 18713 1423 1 3 . 1 1 20 20 THR HA H 20 4.262 4.262 4.079 0.183 18713 1424 1 3 . 1 1 20 20 THR C C 20 175.280 175.280 176.083 -0.803 18713 1425 1 3 . 1 1 20 20 THR CA C 20 63.850 63.850 64.543 -0.693 18713 1426 1 3 . 1 1 20 20 THR CB C 20 69.250 69.250 68.416 0.834 18713 1427 1 3 . 1 1 20 20 THR H H 20 7.974 7.974 7.445 0.529 18713 1428 1 3 . 1 1 21 21 LYS N N 21 119.710 119.710 121.119 -1.409 18713 1429 1 3 . 1 1 21 21 LYS HA H 21 4.291 4.291 4.288 0.003 18713 1430 1 3 . 1 1 21 21 LYS C C 21 176.070 176.070 176.346 -0.276 18713 1431 1 3 . 1 1 21 21 LYS CA C 21 57.180 57.180 56.605 0.575 18713 1432 1 3 . 1 1 21 21 LYS CB C 21 32.830 32.830 31.905 0.925 18713 1433 1 3 . 1 1 21 21 LYS H H 21 7.519 7.519 7.923 -0.404 18713 1434 1 3 . 1 1 22 22 ASP N N 22 119.020 119.020 122.419 -3.399 18713 1435 1 3 . 1 1 22 22 ASP HA H 22 4.730 4.730 4.598 0.132 18713 1436 1 3 . 1 1 22 22 ASP C C 22 175.080 175.080 176.433 -1.353 18713 1437 1 3 . 1 1 22 22 ASP CA C 22 53.770 53.770 54.976 -1.206 18713 1438 1 3 . 1 1 22 22 ASP CB C 22 39.990 39.990 38.763 1.228 18713 1439 1 3 . 1 1 22 22 ASP H H 22 7.841 7.841 7.818 0.023 18713 1440 1 3 . 1 1 23 23 GLN N N 23 120.720 120.720 117.108 3.612 18713 1441 1 3 . 1 1 23 23 GLN HA H 23 4.425 4.425 4.094 0.331 18713 1442 1 3 . 1 1 23 23 GLN C C 23 175.860 175.860 176.499 -0.639 18713 1443 1 3 . 1 1 23 23 GLN CA C 23 57.530 57.530 58.154 -0.624 18713 1444 1 3 . 1 1 23 23 GLN CB C 23 29.050 29.050 28.820 0.230 18713 1445 1 3 . 1 1 23 23 GLN H H 23 8.313 8.313 8.419 -0.106 18713 1446 1 3 . 1 1 24 24 ASP N N 24 119.150 119.150 114.159 4.991 18713 1447 1 3 . 1 1 24 24 ASP HA H 24 4.655 4.655 4.733 -0.078 18713 1448 1 3 . 1 1 24 24 ASP C C 24 174.840 174.840 174.577 0.263 18713 1449 1 3 . 1 1 24 24 ASP CA C 24 54.560 54.560 53.870 0.690 18713 1450 1 3 . 1 1 24 24 ASP CB C 24 41.290 41.290 42.580 -1.290 18713 1451 1 3 . 1 1 24 24 ASP H H 24 8.313 8.313 8.167 0.146 18713 1452 1 3 . 1 1 25 25 LEU N N 25 121.240 121.240 120.884 0.356 18713 1453 1 3 . 1 1 25 25 LEU HA H 25 4.602 4.602 4.266 0.336 18713 1454 1 3 . 1 1 25 25 LEU C C 25 176.550 176.550 176.820 -0.270 18713 1455 1 3 . 1 1 25 25 LEU CA C 25 55.060 55.060 55.780 -0.720 18713 1456 1 3 . 1 1 25 25 LEU CB C 25 43.520 43.520 42.751 0.769 18713 1457 1 3 . 1 1 25 25 LEU H H 25 7.572 7.572 8.063 -0.491 18713 1458 1 3 . 1 1 26 26 ARG N N 26 123.560 123.560 120.439 3.121 18713 1459 1 3 . 1 1 26 26 ARG HA H 26 4.787 4.787 4.737 0.050 18713 1460 1 3 . 1 1 26 26 ARG C C 26 174.040 174.040 174.367 -0.327 18713 1461 1 3 . 1 1 26 26 ARG CA C 26 54.010 54.010 55.059 -1.049 18713 1462 1 3 . 1 1 26 26 ARG CB C 26 33.170 33.170 33.229 -0.059 18713 1463 1 3 . 1 1 26 26 ARG H H 26 8.385 8.385 8.341 0.044 18713 1464 1 3 . 1 1 27 27 TRP N N 27 121.230 121.230 125.728 -4.498 18713 1465 1 3 . 1 1 27 27 TRP HA H 27 4.608 4.608 4.876 -0.268 18713 1466 1 3 . 1 1 27 27 TRP C C 27 176.280 176.280 176.552 -0.272 18713 1467 1 3 . 1 1 27 27 TRP CA C 27 56.110 56.110 57.002 -0.892 18713 1468 1 3 . 1 1 27 27 TRP CB C 27 30.350 30.350 29.767 0.583 18713 1469 1 3 . 1 1 27 27 TRP H H 27 8.824 8.824 8.811 0.013 18713 1470 1 3 . 1 1 28 28 GLN N N 28 122.270 122.270 124.816 -2.546 18713 1471 1 3 . 1 1 28 28 GLN HA H 28 4.163 4.163 4.696 -0.533 18713 1472 1 3 . 1 1 28 28 GLN C C 28 176.280 176.280 177.443 -1.163 18713 1473 1 3 . 1 1 28 28 GLN CA C 28 56.850 56.850 54.393 2.457 18713 1474 1 3 . 1 1 28 28 GLN CB C 28 32.830 32.830 29.612 3.218 18713 1475 1 3 . 1 1 28 28 GLN H H 28 8.427 8.427 7.951 0.476 18713 1476 1 3 . 1 1 29 29 SER HA H 29 4.276 4.276 4.204 0.072 18713 1477 1 3 . 1 1 29 29 SER CA C 29 63.180 63.180 61.615 1.565 18713 1478 1 3 . 1 1 29 29 SER CB C 29 62.930 62.930 63.086 -0.156 18713 1479 1 3 . 1 1 30 30 MET HA H 30 4.430 4.430 4.336 0.094 18713 1480 1 3 . 1 1 30 30 MET C C 30 178.450 178.450 177.818 0.632 18713 1481 1 3 . 1 1 30 30 MET CA C 30 57.760 57.760 58.473 -0.713 18713 1482 1 3 . 1 1 30 30 MET CB C 30 32.120 32.120 32.002 0.118 18713 1483 1 3 . 1 1 31 31 ALA N N 31 122.750 122.750 122.929 -0.179 18713 1484 1 3 . 1 1 31 31 ALA HA H 31 4.015 4.015 3.914 0.101 18713 1485 1 3 . 1 1 31 31 ALA C C 31 178.090 178.090 179.737 -1.647 18713 1486 1 3 . 1 1 31 31 ALA CA C 31 55.430 55.430 54.981 0.449 18713 1487 1 3 . 1 1 31 31 ALA CB C 31 18.590 18.590 17.630 0.960 18713 1488 1 3 . 1 1 31 31 ALA H H 31 7.619 7.619 7.733 -0.114 18713 1489 1 3 . 1 1 32 32 ILE N N 32 117.950 117.950 118.213 -0.263 18713 1490 1 3 . 1 1 32 32 ILE HA H 32 3.691 3.691 3.763 -0.072 18713 1491 1 3 . 1 1 32 32 ILE C C 32 178.410 178.410 177.757 0.653 18713 1492 1 3 . 1 1 32 32 ILE CA C 32 63.290 63.290 65.083 -1.793 18713 1493 1 3 . 1 1 32 32 ILE CB C 32 36.120 36.120 37.924 -1.804 18713 1494 1 3 . 1 1 32 32 ILE H H 32 7.503 7.503 7.281 0.222 18713 1495 1 3 . 1 1 33 33 MET N N 33 118.790 118.790 118.673 0.117 18713 1496 1 3 . 1 1 33 33 MET HA H 33 4.269 4.269 4.140 0.129 18713 1497 1 3 . 1 1 33 33 MET C C 33 177.970 177.970 178.553 -0.583 18713 1498 1 3 . 1 1 33 33 MET CA C 33 57.670 57.670 57.390 0.280 18713 1499 1 3 . 1 1 33 33 MET CB C 33 32.040 32.040 31.102 0.938 18713 1500 1 3 . 1 1 33 33 MET H H 33 8.034 8.034 7.771 0.263 18713 1501 1 3 . 1 1 34 34 ALA N N 34 122.470 122.470 122.333 0.137 18713 1502 1 3 . 1 1 34 34 ALA HA H 34 3.944 3.944 4.047 -0.103 18713 1503 1 3 . 1 1 34 34 ALA C C 34 179.680 179.680 179.421 0.259 18713 1504 1 3 . 1 1 34 34 ALA CA C 34 55.290 55.290 55.570 -0.280 18713 1505 1 3 . 1 1 34 34 ALA CB C 34 17.050 17.050 17.994 -0.944 18713 1506 1 3 . 1 1 34 34 ALA H H 34 8.007 8.007 8.536 -0.529 18713 1507 1 3 . 1 1 35 35 LEU N N 35 118.310 118.310 118.959 -0.649 18713 1508 1 3 . 1 1 35 35 LEU HA H 35 3.945 3.945 4.067 -0.122 18713 1509 1 3 . 1 1 35 35 LEU C C 35 179.630 179.630 179.443 0.187 18713 1510 1 3 . 1 1 35 35 LEU CA C 35 57.880 57.880 57.782 0.098 18713 1511 1 3 . 1 1 35 35 LEU CB C 35 42.710 42.710 41.616 1.094 18713 1512 1 3 . 1 1 35 35 LEU H H 35 8.003 8.003 7.297 0.706 18713 1513 1 3 . 1 1 36 36 GLN N N 36 122.480 122.480 118.145 4.335 18713 1514 1 3 . 1 1 36 36 GLN HA H 36 3.718 3.718 4.029 -0.311 18713 1515 1 3 . 1 1 36 36 GLN C C 36 177.850 177.850 178.955 -1.105 18713 1516 1 3 . 1 1 36 36 GLN CA C 36 60.150 60.150 58.773 1.377 18713 1517 1 3 . 1 1 36 36 GLN CB C 36 28.150 28.150 28.058 0.092 18713 1518 1 3 . 1 1 36 36 GLN H H 36 8.532 8.532 7.888 0.644 18713 1519 1 3 . 1 1 37 37 GLU N N 37 120.790 120.790 119.495 1.295 18713 1520 1 3 . 1 1 37 37 GLU HA H 37 4.043 4.043 4.398 -0.355 18713 1521 1 3 . 1 1 37 37 GLU C C 37 179.190 179.190 178.941 0.249 18713 1522 1 3 . 1 1 37 37 GLU CA C 37 59.650 59.650 58.661 0.989 18713 1523 1 3 . 1 1 37 37 GLU CB C 37 28.120 28.120 29.312 -1.192 18713 1524 1 3 . 1 1 37 37 GLU H H 37 8.562 8.562 8.312 0.250 18713 1525 1 3 . 1 1 38 38 ALA N N 38 121.430 121.430 122.773 -1.343 18713 1526 1 3 . 1 1 38 38 ALA HA H 38 4.228 4.228 3.949 0.279 18713 1527 1 3 . 1 1 38 38 ALA C C 38 179.740 179.740 179.970 -0.230 18713 1528 1 3 . 1 1 38 38 ALA CA C 38 54.550 54.550 55.323 -0.773 18713 1529 1 3 . 1 1 38 38 ALA CB C 38 19.050 19.050 18.182 0.868 18713 1530 1 3 . 1 1 38 38 ALA H H 38 8.626 8.626 8.449 0.177 18713 1531 1 3 . 1 1 39 39 SER N N 39 115.350 115.350 114.434 0.916 18713 1532 1 3 . 1 1 39 39 SER HA H 39 4.159 4.159 4.196 -0.037 18713 1533 1 3 . 1 1 39 39 SER C C 39 174.490 174.490 176.817 -2.327 18713 1534 1 3 . 1 1 39 39 SER CA C 39 62.550 62.550 61.534 1.016 18713 1535 1 3 . 1 1 39 39 SER CB C 39 64.580 64.580 62.996 1.584 18713 1536 1 3 . 1 1 39 39 SER H H 39 8.160 8.160 8.131 0.029 18713 1537 1 3 . 1 1 40 40 GLU N N 40 123.380 123.380 120.587 2.793 18713 1538 1 3 . 1 1 40 40 GLU HA H 40 3.545 3.545 4.140 -0.595 18713 1539 1 3 . 1 1 40 40 GLU C C 40 177.080 177.080 178.596 -1.516 18713 1540 1 3 . 1 1 40 40 GLU CA C 40 59.890 59.890 58.979 0.911 18713 1541 1 3 . 1 1 40 40 GLU CB C 40 28.150 28.150 29.292 -1.142 18713 1542 1 3 . 1 1 40 40 GLU H H 40 7.632 7.632 7.944 -0.312 18713 1543 1 3 . 1 1 41 41 ALA N N 41 120.090 120.090 122.649 -2.559 18713 1544 1 3 . 1 1 41 41 ALA HA H 41 4.007 4.007 4.057 -0.050 18713 1545 1 3 . 1 1 41 41 ALA C C 41 180.370 180.370 179.403 0.967 18713 1546 1 3 . 1 1 41 41 ALA CA C 41 54.930 54.930 54.697 0.233 18713 1547 1 3 . 1 1 41 41 ALA CB C 41 18.150 18.150 17.976 0.174 18713 1548 1 3 . 1 1 41 41 ALA H H 41 7.860 7.860 8.120 -0.260 18713 1549 1 3 . 1 1 42 42 TYR N N 42 120.400 120.400 119.911 0.489 18713 1550 1 3 . 1 1 42 42 TYR HA H 42 3.970 3.970 4.070 -0.100 18713 1551 1 3 . 1 1 42 42 TYR C C 42 177.220 177.220 177.607 -0.387 18713 1552 1 3 . 1 1 42 42 TYR CA C 42 60.350 60.350 61.986 -1.636 18713 1553 1 3 . 1 1 42 42 TYR CB C 42 38.450 38.450 38.688 -0.238 18713 1554 1 3 . 1 1 42 42 TYR H H 42 8.266 8.266 7.937 0.329 18713 1555 1 3 . 1 1 43 43 LEU N N 43 119.630 119.630 119.660 -0.030 18713 1556 1 3 . 1 1 43 43 LEU HA H 43 3.812 3.812 3.891 -0.079 18713 1557 1 3 . 1 1 43 43 LEU C C 43 177.790 177.790 178.654 -0.864 18713 1558 1 3 . 1 1 43 43 LEU CA C 43 57.530 57.530 58.394 -0.864 18713 1559 1 3 . 1 1 43 43 LEU CB C 43 41.990 41.990 41.870 0.120 18713 1560 1 3 . 1 1 43 43 LEU H H 43 8.080 8.080 7.887 0.193 18713 1561 1 3 . 1 1 44 44 VAL N N 44 118.320 118.320 118.745 -0.425 18713 1562 1 3 . 1 1 44 44 VAL HA H 44 3.450 3.450 3.524 -0.074 18713 1563 1 3 . 1 1 44 44 VAL C C 44 177.960 177.960 178.022 -0.062 18713 1564 1 3 . 1 1 44 44 VAL CA C 44 67.150 67.150 67.023 0.127 18713 1565 1 3 . 1 1 44 44 VAL CB C 44 31.250 31.250 31.338 -0.088 18713 1566 1 3 . 1 1 44 44 VAL H H 44 8.415 8.415 8.231 0.184 18713 1567 1 3 . 1 1 45 45 GLY N N 45 106.020 106.020 107.759 -1.739 18713 1568 1 3 . 1 1 45 45 GLY C C 45 176.070 176.070 175.998 0.072 18713 1569 1 3 . 1 1 45 45 GLY CA C 45 47.410 47.410 47.059 0.351 18713 1570 1 3 . 1 1 45 45 GLY H H 45 7.747 7.747 7.950 -0.203 18713 1571 1 3 . 1 1 46 46 LEU N N 46 122.340 122.340 124.076 -1.736 18713 1572 1 3 . 1 1 46 46 LEU HA H 46 4.002 4.002 4.020 -0.018 18713 1573 1 3 . 1 1 46 46 LEU C C 46 179.520 179.520 178.384 1.136 18713 1574 1 3 . 1 1 46 46 LEU CA C 46 57.410 57.410 57.394 0.016 18713 1575 1 3 . 1 1 46 46 LEU CB C 46 42.350 42.350 42.016 0.334 18713 1576 1 3 . 1 1 46 46 LEU H H 46 7.802 7.802 7.952 -0.150 18713 1577 1 3 . 1 1 47 47 LEU N N 47 118.450 118.450 121.045 -2.595 18713 1578 1 3 . 1 1 47 47 LEU HA H 47 4.169 4.169 4.021 0.148 18713 1579 1 3 . 1 1 47 47 LEU C C 47 178.210 178.210 178.509 -0.299 18713 1580 1 3 . 1 1 47 47 LEU CA C 47 56.950 56.950 58.231 -1.281 18713 1581 1 3 . 1 1 47 47 LEU CB C 47 41.850 41.850 41.762 0.088 18713 1582 1 3 . 1 1 47 47 LEU H H 47 8.082 8.082 8.707 -0.625 18713 1583 1 3 . 1 1 48 48 GLU N N 48 116.980 116.980 116.179 0.801 18713 1584 1 3 . 1 1 48 48 GLU HA H 48 4.142 4.142 3.922 0.220 18713 1585 1 3 . 1 1 48 48 GLU C C 48 177.120 177.120 178.089 -0.969 18713 1586 1 3 . 1 1 48 48 GLU CA C 48 57.450 57.450 59.196 -1.746 18713 1587 1 3 . 1 1 48 48 GLU CB C 48 30.010 30.010 29.784 0.226 18713 1588 1 3 . 1 1 48 48 GLU H H 48 7.870 7.870 8.335 -0.465 18713 1589 1 3 . 1 1 49 49 HIS N N 49 114.660 114.660 117.861 -3.201 18713 1590 1 3 . 1 1 49 49 HIS HA H 49 4.878 4.878 4.413 0.465 18713 1591 1 3 . 1 1 49 49 HIS C C 49 174.070 174.070 176.268 -2.198 18713 1592 1 3 . 1 1 49 49 HIS CA C 49 55.760 55.760 58.254 -2.494 18713 1593 1 3 . 1 1 49 49 HIS CB C 49 29.880 29.880 30.644 -0.764 18713 1594 1 3 . 1 1 49 49 HIS H H 49 7.833 7.833 7.854 -0.021 18713 1595 1 3 . 1 1 50 50 THR N N 50 113.050 113.050 114.111 -1.061 18713 1596 1 3 . 1 1 50 50 THR HA H 50 4.571 4.571 4.265 0.306 18713 1597 1 3 . 1 1 50 50 THR C C 50 173.390 173.390 173.722 -0.332 18713 1598 1 3 . 1 1 50 50 THR CA C 50 61.880 61.880 62.299 -0.419 18713 1599 1 3 . 1 1 50 50 THR CB C 50 70.350 70.350 67.905 2.445 18713 1600 1 3 . 1 1 50 50 THR H H 50 7.871 7.871 8.110 -0.239 18713 1601 1 3 . 1 1 51 51 ASN N N 51 119.760 119.760 125.726 -5.966 18713 1602 1 3 . 1 1 51 51 ASN HA H 51 4.868 4.868 4.711 0.157 18713 1603 1 3 . 1 1 51 51 ASN C C 51 175.440 175.440 176.055 -0.615 18713 1604 1 3 . 1 1 51 51 ASN CA C 51 52.870 52.870 54.364 -1.494 18713 1605 1 3 . 1 1 51 51 ASN CB C 51 38.470 38.470 39.316 -0.846 18713 1606 1 3 . 1 1 51 51 ASN H H 51 8.477 8.477 8.118 0.359 18713 1607 1 3 . 1 1 52 52 LEU N N 52 121.360 121.360 121.547 -0.187 18713 1608 1 3 . 1 1 52 52 LEU HA H 52 4.144 4.144 4.197 -0.053 18713 1609 1 3 . 1 1 52 52 LEU C C 52 177.440 177.440 178.683 -1.243 18713 1610 1 3 . 1 1 52 52 LEU CA C 52 56.880 56.880 56.768 0.112 18713 1611 1 3 . 1 1 52 52 LEU CB C 52 42.240 42.240 42.001 0.239 18713 1612 1 3 . 1 1 52 52 LEU H H 52 8.089 8.089 7.710 0.379 18713 1613 1 3 . 1 1 53 53 LEU N N 53 119.350 119.350 120.217 -0.867 18713 1614 1 3 . 1 1 53 53 LEU HA H 53 4.255 4.255 3.970 0.285 18713 1615 1 3 . 1 1 53 53 LEU C C 53 177.360 177.360 178.152 -0.792 18713 1616 1 3 . 1 1 53 53 LEU CA C 53 56.010 56.010 57.484 -1.474 18713 1617 1 3 . 1 1 53 53 LEU CB C 53 41.770 41.770 41.012 0.758 18713 1618 1 3 . 1 1 53 53 LEU H H 53 8.165 8.165 7.921 0.244 18713 1619 1 3 . 1 1 54 54 ALA N N 54 122.310 122.310 119.911 2.399 18713 1620 1 3 . 1 1 54 54 ALA HA H 54 4.222 4.222 4.313 -0.091 18713 1621 1 3 . 1 1 54 54 ALA C C 54 177.620 177.620 178.938 -1.318 18713 1622 1 3 . 1 1 54 54 ALA CA C 54 53.250 53.250 54.069 -0.819 18713 1623 1 3 . 1 1 54 54 ALA CB C 54 18.820 18.820 18.486 0.334 18713 1624 1 3 . 1 1 54 54 ALA H H 54 7.969 7.969 7.640 0.329 18713 1625 1 3 . 1 1 55 55 LEU N N 55 117.930 117.930 117.311 0.619 18713 1626 1 3 . 1 1 55 55 LEU HA H 55 4.233 4.233 3.985 0.248 18713 1627 1 3 . 1 1 55 55 LEU C C 55 176.740 176.740 178.367 -1.627 18713 1628 1 3 . 1 1 55 55 LEU CA C 55 55.420 55.420 57.127 -1.707 18713 1629 1 3 . 1 1 55 55 LEU CB C 55 42.350 42.350 42.212 0.138 18713 1630 1 3 . 1 1 55 55 LEU H H 55 7.696 7.696 7.544 0.152 18713 1631 1 3 . 1 1 56 56 HIS N N 56 117.120 117.120 114.927 2.193 18713 1632 1 3 . 1 1 56 56 HIS HA H 56 4.665 4.665 4.584 0.081 18713 1633 1 3 . 1 1 56 56 HIS C C 56 174.150 174.150 174.419 -0.269 18713 1634 1 3 . 1 1 56 56 HIS CA C 56 55.420 55.420 56.324 -0.904 18713 1635 1 3 . 1 1 56 56 HIS CB C 56 29.250 29.250 33.356 -4.106 18713 1636 1 3 . 1 1 56 56 HIS H H 56 8.196 8.196 7.747 0.449 18713 1637 1 3 . 1 1 57 57 LEU N N 57 120.690 120.690 122.044 -1.354 18713 1638 1 3 . 1 1 57 57 LEU HA H 57 4.414 4.414 4.663 -0.249 18713 1639 1 3 . 1 1 57 57 LEU C C 57 175.760 175.760 175.859 -0.099 18713 1640 1 3 . 1 1 57 57 LEU CA C 57 55.410 55.410 54.372 1.038 18713 1641 1 3 . 1 1 57 57 LEU CB C 57 42.470 42.470 44.724 -2.254 18713 1642 1 3 . 1 1 57 57 LEU H H 57 7.989 7.989 8.726 -0.737 18713 1643 1 3 . 1 1 58 58 VAL N N 58 119.740 119.740 121.397 -1.657 18713 1644 1 3 . 1 1 58 58 VAL HA H 58 4.485 4.485 4.343 0.142 18713 1645 1 3 . 1 1 58 58 VAL C C 58 173.880 173.880 174.355 -0.475 18713 1646 1 3 . 1 1 58 58 VAL CA C 58 59.520 59.520 59.229 0.291 18713 1647 1 3 . 1 1 58 58 VAL CB C 58 32.710 32.710 32.346 0.364 18713 1648 1 3 . 1 1 58 58 VAL H H 58 7.848 7.848 8.366 -0.518 18713 1649 1 3 . 1 1 59 59 PRO HA H 59 4.449 4.449 4.571 -0.122 18713 1650 1 3 . 1 1 59 59 PRO C C 59 174.250 174.250 176.321 -2.071 18713 1651 1 3 . 1 1 59 59 PRO CA C 59 63.200 63.200 63.295 -0.096 18713 1652 1 3 . 1 1 59 59 PRO CB C 59 32.120 32.120 32.379 -0.259 18713 1653 1 3 . 1 1 60 60 ARG N N 60 121.450 121.450 122.481 -1.031 18713 1654 1 3 . 1 1 60 60 ARG HA H 60 4.335 4.335 4.526 -0.191 18713 1655 1 3 . 1 1 60 60 ARG C C 60 176.620 176.620 177.220 -0.600 18713 1656 1 3 . 1 1 60 60 ARG CA C 60 56.460 56.460 55.741 0.719 18713 1657 1 3 . 1 1 60 60 ARG CB C 60 30.720 30.720 30.812 -0.092 18713 1658 1 3 . 1 1 60 60 ARG H H 60 8.397 8.397 8.393 0.004 18713 1659 1 3 . 1 1 61 61 GLY N N 61 110.770 110.770 107.304 3.466 18713 1660 1 3 . 1 1 61 61 GLY C C 61 174.090 174.090 174.779 -0.689 18713 1661 1 3 . 1 1 61 61 GLY CA C 61 45.650 45.650 44.410 1.240 18713 1662 1 3 . 1 1 61 61 GLY H H 61 8.541 8.541 8.307 0.234 18713 1663 1 3 . 1 1 62 62 SER N N 62 115.890 115.890 116.337 -0.447 18713 1664 1 3 . 1 1 62 62 SER HA H 62 4.470 4.470 4.113 0.357 18713 1665 1 3 . 1 1 62 62 SER C C 62 174.270 174.270 176.353 -2.083 18713 1666 1 3 . 1 1 62 62 SER CA C 62 58.750 58.750 61.141 -2.391 18713 1667 1 3 . 1 1 62 62 SER CB C 62 64.100 64.100 63.205 0.895 18713 1668 1 3 . 1 1 62 62 SER H H 62 8.145 8.145 8.157 -0.012 18713 1669 1 3 . 1 1 63 63 LYS N N 63 122.680 122.680 120.664 2.016 18713 1670 1 3 . 1 1 63 63 LYS HA H 63 4.372 4.372 4.098 0.274 18713 1671 1 3 . 1 1 63 63 LYS C C 63 175.950 175.950 177.163 -1.213 18713 1672 1 3 . 1 1 63 63 LYS CA C 63 56.120 56.120 58.174 -2.054 18713 1673 1 3 . 1 1 63 63 LYS CB C 63 32.830 32.830 32.502 0.328 18713 1674 1 3 . 1 1 63 63 LYS H H 63 8.336 8.336 8.012 0.324 18713 1675 1 3 . 1 1 64 64 ARG N N 64 120.930 120.930 112.903 8.027 18713 1676 1 3 . 1 1 64 64 ARG HA H 64 4.395 4.395 3.992 0.403 18713 1677 1 3 . 1 1 64 64 ARG C C 64 175.550 175.550 175.793 -0.243 18713 1678 1 3 . 1 1 64 64 ARG CA C 64 56.350 56.350 57.914 -1.564 18713 1679 1 3 . 1 1 64 64 ARG CB C 64 30.950 30.950 29.143 1.807 18713 1680 1 3 . 1 1 64 64 ARG H H 64 8.187 8.187 7.793 0.394 18713 1681 1 3 . 1 1 65 65 ILE N N 65 121.120 121.120 110.466 10.654 18713 1682 1 3 . 1 1 65 65 ILE HA H 65 4.255 4.255 4.525 -0.270 18713 1683 1 3 . 1 1 65 65 ILE C C 65 175.880 175.880 176.343 -0.463 18713 1684 1 3 . 1 1 65 65 ILE CA C 65 61.170 61.170 60.821 0.349 18713 1685 1 3 . 1 1 65 65 ILE CB C 65 38.820 38.820 38.503 0.317 18713 1686 1 3 . 1 1 65 65 ILE H H 65 8.165 8.165 7.640 0.525 18713 1687 1 3 . 1 1 66 66 SER N N 66 120.720 120.720 117.521 3.199 18713 1688 1 3 . 1 1 66 66 SER HA H 66 4.511 4.511 4.369 0.142 18713 1689 1 3 . 1 1 66 66 SER C C 66 174.490 174.490 175.529 -1.039 18713 1690 1 3 . 1 1 66 66 SER CA C 66 58.580 58.580 60.348 -1.768 18713 1691 1 3 . 1 1 66 66 SER CB C 66 64.110 64.110 63.397 0.713 18713 1692 1 3 . 1 1 66 66 SER H H 66 8.346 8.346 8.175 0.171 18713 1693 1 3 . 1 1 67 67 GLY N N 67 110.050 110.050 107.748 2.302 18713 1694 1 3 . 1 1 67 67 GLY C C 67 175.840 175.840 172.802 3.038 18713 1695 1 3 . 1 1 67 67 GLY CA C 67 45.480 45.480 44.412 1.068 18713 1696 1 3 . 1 1 67 67 GLY H H 67 8.275 8.275 7.704 0.571 18713 1697 1 3 . 1 1 68 68 LEU N N 68 120.990 120.990 121.717 -0.727 18713 1698 1 3 . 1 1 68 68 LEU HA H 68 4.492 4.492 4.455 0.037 18713 1699 1 3 . 1 1 68 68 LEU C C 68 177.450 177.450 177.717 -0.267 18713 1700 1 3 . 1 1 68 68 LEU CA C 68 55.410 55.410 54.539 0.871 18713 1701 1 3 . 1 1 68 68 LEU CB C 68 42.710 42.710 41.479 1.231 18713 1702 1 3 . 1 1 68 68 LEU H H 68 8.057 8.057 8.343 -0.286 18713 1703 1 3 . 1 1 70 70 TYR HA H 70 4.039 4.039 4.224 -0.185 18713 1704 1 3 . 1 1 70 70 TYR CA C 70 61.650 61.650 62.214 -0.564 18713 1705 1 3 . 1 1 70 70 TYR CB C 70 38.250 38.250 37.504 0.746 18713 1706 1 3 . 1 1 71 71 GLU N N 71 117.580 117.580 119.563 -1.983 18713 1707 1 3 . 1 1 71 71 GLU HA H 71 4.173 4.173 4.041 0.132 18713 1708 1 3 . 1 1 71 71 GLU CA C 71 60.120 60.120 59.987 0.133 18713 1709 1 3 . 1 1 71 71 GLU CB C 71 29.080 29.080 28.994 0.086 18713 1710 1 3 . 1 1 71 71 GLU H H 71 8.999 8.999 8.803 0.196 18713 1711 1 3 . 1 1 72 72 GLU N N 72 119.620 119.620 119.917 -0.297 18713 1712 1 3 . 1 1 72 72 GLU HA H 72 4.165 4.165 4.073 0.092 18713 1713 1 3 . 1 1 72 72 GLU C C 72 178.090 178.090 179.435 -1.345 18713 1714 1 3 . 1 1 72 72 GLU CA C 72 58.350 58.350 59.291 -0.941 18713 1715 1 3 . 1 1 72 72 GLU CB C 72 29.880 29.880 29.755 0.125 18713 1716 1 3 . 1 1 72 72 GLU H H 72 7.760 7.760 7.779 -0.019 18713 1717 1 3 . 1 1 73 73 VAL N N 73 117.510 117.510 119.908 -2.398 18713 1718 1 3 . 1 1 73 73 VAL HA H 73 3.757 3.757 3.505 0.252 18713 1719 1 3 . 1 1 73 73 VAL C C 73 176.620 176.620 178.127 -1.507 18713 1720 1 3 . 1 1 73 73 VAL CA C 73 65.450 65.450 66.631 -1.181 18713 1721 1 3 . 1 1 73 73 VAL CB C 73 31.540 31.540 31.524 0.016 18713 1722 1 3 . 1 1 73 73 VAL H H 73 7.869 7.869 8.309 -0.440 18713 1723 1 3 . 1 1 74 74 ARG N N 74 120.440 120.440 119.750 0.690 18713 1724 1 3 . 1 1 74 74 ARG HA H 74 3.649 3.649 4.042 -0.393 18713 1725 1 3 . 1 1 74 74 ARG C C 74 176.860 176.860 178.625 -1.765 18713 1726 1 3 . 1 1 74 74 ARG CA C 74 59.950 59.950 59.968 -0.018 18713 1727 1 3 . 1 1 74 74 ARG CB C 74 30.070 30.070 30.099 -0.029 18713 1728 1 3 . 1 1 74 74 ARG H H 74 8.335 8.335 8.547 -0.212 18713 1729 1 3 . 1 1 75 75 ALA N N 75 119.490 119.490 121.707 -2.217 18713 1730 1 3 . 1 1 75 75 ALA HA H 75 4.157 4.157 4.225 -0.068 18713 1731 1 3 . 1 1 75 75 ALA C C 75 180.380 180.380 179.868 0.512 18713 1732 1 3 . 1 1 75 75 ALA CA C 75 55.540 55.540 54.900 0.640 18713 1733 1 3 . 1 1 75 75 ALA CB C 75 18.320 18.320 18.277 0.043 18713 1734 1 3 . 1 1 75 75 ALA H H 75 7.725 7.725 8.362 -0.637 18713 1735 1 3 . 1 1 76 76 VAL N N 76 116.910 116.910 119.393 -2.483 18713 1736 1 3 . 1 1 76 76 VAL HA H 76 4.125 4.125 3.601 0.524 18713 1737 1 3 . 1 1 76 76 VAL C C 76 178.340 178.340 177.788 0.552 18713 1738 1 3 . 1 1 76 76 VAL CA C 76 64.950 64.950 66.415 -1.465 18713 1739 1 3 . 1 1 76 76 VAL CB C 76 31.820 31.820 31.759 0.060 18713 1740 1 3 . 1 1 76 76 VAL H H 76 7.814 7.814 7.941 -0.127 18713 1741 1 3 . 1 1 77 77 LEU N N 77 121.020 121.020 120.559 0.461 18713 1742 1 3 . 1 1 77 77 LEU HA H 77 4.425 4.425 3.925 0.500 18713 1743 1 3 . 1 1 77 77 LEU C C 77 177.930 177.930 178.534 -0.604 18713 1744 1 3 . 1 1 77 77 LEU CA C 77 57.250 57.250 58.120 -0.869 18713 1745 1 3 . 1 1 77 77 LEU CB C 77 43.010 43.010 41.353 1.657 18713 1746 1 3 . 1 1 77 77 LEU H H 77 8.389 8.389 8.424 -0.035 18713 1747 1 3 . 1 1 78 78 LYS N N 78 120.530 120.530 120.355 0.175 18713 1748 1 3 . 1 1 78 78 LYS HA H 78 3.907 3.907 4.075 -0.168 18713 1749 1 3 . 1 1 78 78 LYS C C 78 177.320 177.320 178.487 -1.167 18713 1750 1 3 . 1 1 78 78 LYS CA C 78 61.350 61.350 60.655 0.695 18713 1751 1 3 . 1 1 78 78 LYS CB C 78 32.450 32.450 32.146 0.304 18713 1752 1 3 . 1 1 78 78 LYS H H 78 8.757 8.757 8.473 0.284 18713 1753 1 3 . 1 1 79 79 SER N N 79 113.040 113.040 115.014 -1.974 18713 1754 1 3 . 1 1 79 79 SER HA H 79 4.270 4.270 4.138 0.132 18713 1755 1 3 . 1 1 79 79 SER C C 79 177.320 177.320 176.471 0.849 18713 1756 1 3 . 1 1 79 79 SER CA C 79 62.250 62.250 61.714 0.536 18713 1757 1 3 . 1 1 79 79 SER CB C 79 63.050 63.050 62.961 0.089 18713 1758 1 3 . 1 1 79 79 SER H H 79 8.055 8.055 7.739 0.316 18713 1759 1 3 . 1 1 80 80 PHE N N 80 123.520 123.520 123.138 0.382 18713 1760 1 3 . 1 1 80 80 PHE HA H 80 4.255 4.255 4.229 0.026 18713 1761 1 3 . 1 1 80 80 PHE C C 80 176.480 176.480 177.090 -0.610 18713 1762 1 3 . 1 1 80 80 PHE CA C 80 60.650 60.650 61.188 -0.538 18713 1763 1 3 . 1 1 80 80 PHE CB C 80 39.450 39.450 38.971 0.479 18713 1764 1 3 . 1 1 80 80 PHE H H 80 7.734 7.734 7.877 -0.142 18713 1765 1 3 . 1 1 81 81 LEU N N 81 119.370 119.370 119.840 -0.470 18713 1766 1 3 . 1 1 81 81 LEU HA H 81 3.558 3.558 3.413 0.145 18713 1767 1 3 . 1 1 81 81 LEU C C 81 178.280 178.280 179.056 -0.776 18713 1768 1 3 . 1 1 81 81 LEU CA C 81 57.650 57.650 58.295 -0.645 18713 1769 1 3 . 1 1 81 81 LEU CB C 81 42.750 42.750 41.511 1.239 18713 1770 1 3 . 1 1 81 81 LEU H H 81 8.693 8.693 9.071 -0.378 18713 1771 1 3 . 1 1 82 82 GLU N N 82 118.350 118.350 118.535 -0.185 18713 1772 1 3 . 1 1 82 82 GLU HA H 82 3.785 3.785 3.905 -0.120 18713 1773 1 3 . 1 1 82 82 GLU C C 82 177.870 177.870 179.201 -1.331 18713 1774 1 3 . 1 1 82 82 GLU CA C 82 60.550 60.550 59.480 1.070 18713 1775 1 3 . 1 1 82 82 GLU CB C 82 29.280 29.280 28.937 0.343 18713 1776 1 3 . 1 1 82 82 GLU H H 82 8.869 8.869 8.732 0.137 18713 1777 1 3 . 1 1 83 83 SER N N 83 113.610 113.610 115.016 -1.406 18713 1778 1 3 . 1 1 83 83 SER HA H 83 4.165 4.165 4.171 -0.006 18713 1779 1 3 . 1 1 83 83 SER C C 83 177.830 177.830 176.703 1.127 18713 1780 1 3 . 1 1 83 83 SER CA C 83 61.150 61.150 61.505 -0.355 18713 1781 1 3 . 1 1 83 83 SER CB C 83 62.750 62.750 62.795 -0.045 18713 1782 1 3 . 1 1 83 83 SER H H 83 7.474 7.474 8.277 -0.803 18713 1783 1 3 . 1 1 84 84 VAL N N 84 121.040 121.040 122.330 -1.290 18713 1784 1 3 . 1 1 84 84 VAL HA H 84 3.660 3.660 3.597 0.063 18713 1785 1 3 . 1 1 84 84 VAL C C 84 179.270 179.270 178.090 1.180 18713 1786 1 3 . 1 1 84 84 VAL CA C 84 65.750 65.750 66.680 -0.930 18713 1787 1 3 . 1 1 84 84 VAL CB C 84 32.030 32.030 31.162 0.868 18713 1788 1 3 . 1 1 84 84 VAL H H 84 7.668 7.668 7.986 -0.318 18713 1789 1 3 . 1 1 85 85 ILE N N 85 123.350 123.350 119.990 3.360 18713 1790 1 3 . 1 1 85 85 ILE HA H 85 3.537 3.537 3.558 -0.021 18713 1791 1 3 . 1 1 85 85 ILE C C 85 176.550 176.550 178.043 -1.493 18713 1792 1 3 . 1 1 85 85 ILE CA C 85 66.710 66.710 65.529 1.181 18713 1793 1 3 . 1 1 85 85 ILE CB C 85 36.210 36.210 37.382 -1.172 18713 1794 1 3 . 1 1 85 85 ILE H H 85 9.086 9.086 8.015 1.071 18713 1795 1 3 . 1 1 86 86 ARG N N 86 120.150 120.150 119.317 0.833 18713 1796 1 3 . 1 1 86 86 ARG HA H 86 3.802 3.802 3.992 -0.190 18713 1797 1 3 . 1 1 86 86 ARG C C 86 178.920 178.920 179.083 -0.163 18713 1798 1 3 . 1 1 86 86 ARG CA C 86 59.980 59.980 59.270 0.710 18713 1799 1 3 . 1 1 86 86 ARG CB C 86 29.650 29.650 29.455 0.195 18713 1800 1 3 . 1 1 86 86 ARG H H 86 8.125 8.125 7.703 0.422 18713 1801 1 3 . 1 1 87 87 ASP N N 87 118.810 118.810 120.149 -1.339 18713 1802 1 3 . 1 1 87 87 ASP HA H 87 4.537 4.537 4.543 -0.006 18713 1803 1 3 . 1 1 87 87 ASP C C 87 178.050 178.050 178.866 -0.816 18713 1804 1 3 . 1 1 87 87 ASP CA C 87 57.140 57.140 57.019 0.121 18713 1805 1 3 . 1 1 87 87 ASP CB C 87 40.520 40.520 40.276 0.244 18713 1806 1 3 . 1 1 87 87 ASP H H 87 7.668 7.668 8.434 -0.766 18713 1807 1 3 . 1 1 88 88 SER N N 88 119.350 119.350 117.241 2.109 18713 1808 1 3 . 1 1 88 88 SER HA H 88 4.166 4.166 4.810 -0.644 18713 1809 1 3 . 1 1 88 88 SER C C 88 175.350 175.350 176.818 -1.468 18713 1810 1 3 . 1 1 88 88 SER CA C 88 57.170 57.170 62.032 -4.862 18713 1811 1 3 . 1 1 88 88 SER CB C 88 64.050 64.050 63.099 0.951 18713 1812 1 3 . 1 1 88 88 SER H H 88 8.506 8.506 8.411 0.095 18713 1813 1 3 . 1 1 89 89 VAL N N 89 121.240 121.240 123.018 -1.778 18713 1814 1 3 . 1 1 89 89 VAL HA H 89 3.611 3.611 3.964 -0.353 18713 1815 1 3 . 1 1 89 89 VAL C C 89 177.440 177.440 178.566 -1.126 18713 1816 1 3 . 1 1 89 89 VAL CA C 89 65.990 65.990 66.529 -0.539 18713 1817 1 3 . 1 1 89 89 VAL CB C 89 31.240 31.240 31.469 -0.229 18713 1818 1 3 . 1 1 89 89 VAL H H 89 8.505 8.505 8.844 -0.339 18713 1819 1 3 . 1 1 90 90 THR N N 90 117.040 117.040 117.570 -0.530 18713 1820 1 3 . 1 1 90 90 THR HA H 90 4.013 4.013 3.942 0.071 18713 1821 1 3 . 1 1 90 90 THR C C 90 177.410 177.410 177.021 0.389 18713 1822 1 3 . 1 1 90 90 THR CA C 90 66.550 66.550 67.336 -0.786 18713 1823 1 3 . 1 1 90 90 THR CB C 90 68.220 68.220 68.564 -0.344 18713 1824 1 3 . 1 1 90 90 THR H H 90 8.016 8.016 7.626 0.390 18713 1825 1 3 . 1 1 91 91 TYR N N 91 122.770 122.770 120.456 2.314 18713 1826 1 3 . 1 1 91 91 TYR HA H 91 4.162 4.162 4.422 -0.260 18713 1827 1 3 . 1 1 91 91 TYR C C 91 178.180 178.180 178.463 -0.283 18713 1828 1 3 . 1 1 91 91 TYR CA C 91 62.470 62.470 61.398 1.072 18713 1829 1 3 . 1 1 91 91 TYR CB C 91 38.030 38.030 37.950 0.080 18713 1830 1 3 . 1 1 91 91 TYR H H 91 7.822 7.822 8.348 -0.526 18713 1831 1 3 . 1 1 92 92 THR N N 92 119.350 119.350 113.413 5.937 18713 1832 1 3 . 1 1 92 92 THR HA H 92 3.678 3.678 4.038 -0.360 18713 1833 1 3 . 1 1 92 92 THR C C 92 175.880 175.880 177.209 -1.329 18713 1834 1 3 . 1 1 92 92 THR CA C 92 67.390 67.390 66.575 0.815 18713 1835 1 3 . 1 1 92 92 THR CB C 92 69.190 69.190 68.740 0.450 18713 1836 1 3 . 1 1 92 92 THR H H 92 8.160 8.160 8.867 -0.707 18713 1837 1 3 . 1 1 93 93 GLU N N 93 118.840 118.840 121.977 -3.137 18713 1838 1 3 . 1 1 93 93 GLU HA H 93 4.238 4.238 4.104 0.134 18713 1839 1 3 . 1 1 93 93 GLU C C 93 181.340 181.340 179.431 1.909 18713 1840 1 3 . 1 1 93 93 GLU CA C 93 58.290 58.290 59.311 -1.021 18713 1841 1 3 . 1 1 93 93 GLU CB C 93 28.890 28.890 29.018 -0.128 18713 1842 1 3 . 1 1 93 93 GLU H H 93 8.514 8.514 8.953 -0.439 18713 1843 1 3 . 1 1 94 94 HIS N N 94 120.870 120.870 120.374 0.496 18713 1844 1 3 . 1 1 94 94 HIS HA H 94 4.465 4.465 4.320 0.145 18713 1845 1 3 . 1 1 94 94 HIS C C 94 175.390 175.390 175.483 -0.093 18713 1846 1 3 . 1 1 94 94 HIS CA C 94 58.250 58.250 58.876 -0.626 18713 1847 1 3 . 1 1 94 94 HIS CB C 94 28.110 28.110 29.935 -1.825 18713 1848 1 3 . 1 1 94 94 HIS H H 94 8.531 8.531 8.225 0.306 18713 1849 1 3 . 1 1 95 95 ALA N N 95 121.010 121.010 119.797 1.213 18713 1850 1 3 . 1 1 95 95 ALA HA H 95 4.335 4.335 4.440 -0.105 18713 1851 1 3 . 1 1 95 95 ALA C C 95 175.380 175.380 175.670 -0.290 18713 1852 1 3 . 1 1 95 95 ALA CA C 95 51.750 51.750 51.344 0.406 18713 1853 1 3 . 1 1 95 95 ALA CB C 95 18.710 18.710 19.128 -0.418 18713 1854 1 3 . 1 1 95 95 ALA H H 95 7.525 7.525 7.699 -0.174 18713 1855 1 3 . 1 1 96 96 LYS N N 96 115.990 115.990 114.260 1.730 18713 1856 1 3 . 1 1 96 96 LYS HA H 96 3.955 3.955 3.817 0.138 18713 1857 1 3 . 1 1 96 96 LYS C C 96 175.020 175.020 175.958 -0.938 18713 1858 1 3 . 1 1 96 96 LYS CA C 96 56.590 56.590 57.325 -0.735 18713 1859 1 3 . 1 1 96 96 LYS CB C 96 28.650 28.650 29.185 -0.535 18713 1860 1 3 . 1 1 96 96 LYS H H 96 8.232 8.232 8.095 0.137 18713 1861 1 3 . 1 1 97 97 ARG N N 97 116.850 116.850 119.509 -2.659 18713 1862 1 3 . 1 1 97 97 ARG HA H 97 4.651 4.651 4.418 0.233 18713 1863 1 3 . 1 1 97 97 ARG C C 97 175.250 175.250 174.911 0.339 18713 1864 1 3 . 1 1 97 97 ARG CA C 97 55.010 55.010 55.011 -0.001 18713 1865 1 3 . 1 1 97 97 ARG CB C 97 35.170 35.170 32.849 2.321 18713 1866 1 3 . 1 1 97 97 ARG H H 97 7.685 7.685 8.365 -0.680 18713 1867 1 3 . 1 1 98 98 LYS N N 98 115.990 115.990 120.196 -4.206 18713 1868 1 3 . 1 1 98 98 LYS HA H 98 4.409 4.409 4.552 -0.143 18713 1869 1 3 . 1 1 98 98 LYS C C 98 174.320 174.320 174.478 -0.158 18713 1870 1 3 . 1 1 98 98 LYS CA C 98 54.500 54.500 55.669 -1.169 18713 1871 1 3 . 1 1 98 98 LYS CB C 98 33.590 33.590 32.266 1.324 18713 1872 1 3 . 1 1 98 98 LYS H H 98 8.232 8.232 8.392 -0.160 18713 1873 1 3 . 1 1 99 99 THR N N 99 114.310 114.310 114.335 -0.025 18713 1874 1 3 . 1 1 99 99 THR HA H 99 4.769 4.769 4.851 -0.082 18713 1875 1 3 . 1 1 99 99 THR C C 99 172.170 172.170 173.150 -0.980 18713 1876 1 3 . 1 1 99 99 THR CA C 99 60.510 60.510 61.751 -1.241 18713 1877 1 3 . 1 1 99 99 THR CB C 99 70.180 70.180 72.372 -2.192 18713 1878 1 3 . 1 1 99 99 THR H H 99 6.768 6.768 7.793 -1.025 18713 1879 1 3 . 1 1 100 100 VAL N N 100 128.820 128.820 124.490 4.330 18713 1880 1 3 . 1 1 100 100 VAL HA H 100 3.987 3.987 4.168 -0.181 18713 1881 1 3 . 1 1 100 100 VAL C C 100 175.690 175.690 174.539 1.151 18713 1882 1 3 . 1 1 100 100 VAL CA C 100 61.950 61.950 61.206 0.744 18713 1883 1 3 . 1 1 100 100 VAL CB C 100 32.290 32.290 32.381 -0.091 18713 1884 1 3 . 1 1 100 100 VAL H H 100 8.690 8.690 9.051 -0.361 18713 1885 1 3 . 1 1 101 101 THR N N 101 118.310 118.310 115.431 2.879 18713 1886 1 3 . 1 1 101 101 THR HA H 101 4.798 4.798 4.723 0.075 18713 1887 1 3 . 1 1 101 101 THR C C 101 176.460 176.460 175.240 1.220 18713 1888 1 3 . 1 1 101 101 THR CA C 101 59.990 59.990 59.257 0.733 18713 1889 1 3 . 1 1 101 101 THR CB C 101 72.550 72.550 71.370 1.180 18713 1890 1 3 . 1 1 101 101 THR H H 101 9.263 9.263 8.265 0.998 18713 1891 1 3 . 1 1 102 102 SER N N 102 115.810 115.810 118.203 -2.393 18713 1892 1 3 . 1 1 102 102 SER HA H 102 3.913 3.913 4.136 -0.223 18713 1893 1 3 . 1 1 102 102 SER C C 102 175.210 175.210 175.667 -0.457 18713 1894 1 3 . 1 1 102 102 SER CA C 102 61.850 61.850 60.882 0.968 18713 1895 1 3 . 1 1 102 102 SER CB C 102 61.850 61.850 62.763 -0.913 18713 1896 1 3 . 1 1 102 102 SER H H 102 9.148 9.148 8.873 0.275 18713 1897 1 3 . 1 1 103 103 LEU N N 103 121.540 121.540 123.522 -1.982 18713 1898 1 3 . 1 1 103 103 LEU HA H 103 3.965 3.965 3.832 0.133 18713 1899 1 3 . 1 1 103 103 LEU C C 103 177.780 177.780 177.819 -0.039 18713 1900 1 3 . 1 1 103 103 LEU CA C 103 57.630 57.630 57.870 -0.239 18713 1901 1 3 . 1 1 103 103 LEU CB C 103 41.430 41.430 41.415 0.015 18713 1902 1 3 . 1 1 103 103 LEU H H 103 7.389 7.389 7.513 -0.124 18713 1903 1 3 . 1 1 104 104 ASP N N 104 120.260 120.260 118.446 1.814 18713 1904 1 3 . 1 1 104 104 ASP HA H 104 4.240 4.240 3.752 0.488 18713 1905 1 3 . 1 1 104 104 ASP C C 104 177.230 177.230 178.352 -1.122 18713 1906 1 3 . 1 1 104 104 ASP CA C 104 58.140 58.140 56.606 1.534 18713 1907 1 3 . 1 1 104 104 ASP CB C 104 41.050 41.050 40.568 0.482 18713 1908 1 3 . 1 1 104 104 ASP H H 104 7.240 7.240 7.423 -0.183 18713 1909 1 3 . 1 1 105 105 VAL N N 105 118.230 118.230 120.700 -2.470 18713 1910 1 3 . 1 1 105 105 VAL HA H 105 4.025 4.025 3.674 0.351 18713 1911 1 3 . 1 1 105 105 VAL C C 105 177.550 177.550 178.144 -0.594 18713 1912 1 3 . 1 1 105 105 VAL CA C 105 65.270 65.270 66.316 -1.046 18713 1913 1 3 . 1 1 105 105 VAL CB C 105 31.570 31.570 31.717 -0.147 18713 1914 1 3 . 1 1 105 105 VAL H H 105 7.150 7.150 7.504 -0.354 18713 1915 1 3 . 1 1 106 106 VAL N N 106 120.450 120.450 120.377 0.073 18713 1916 1 3 . 1 1 106 106 VAL HA H 106 3.512 3.512 3.566 -0.054 18713 1917 1 3 . 1 1 106 106 VAL C C 106 178.520 178.520 177.942 0.578 18713 1918 1 3 . 1 1 106 106 VAL CA C 106 67.440 67.440 66.844 0.597 18713 1919 1 3 . 1 1 106 106 VAL CB C 106 31.770 31.770 31.642 0.128 18713 1920 1 3 . 1 1 106 106 VAL H H 106 8.380 8.380 7.756 0.624 18713 1921 1 3 . 1 1 107 107 TYR N N 107 120.160 120.160 118.668 1.492 18713 1922 1 3 . 1 1 107 107 TYR HA H 107 4.113 4.113 4.081 0.032 18713 1923 1 3 . 1 1 107 107 TYR C C 107 177.950 177.950 177.914 0.036 18713 1924 1 3 . 1 1 107 107 TYR CA C 107 60.150 60.150 58.729 1.421 18713 1925 1 3 . 1 1 107 107 TYR CB C 107 36.210 36.210 36.147 0.063 18713 1926 1 3 . 1 1 107 107 TYR H H 107 8.246 8.246 7.894 0.352 18713 1927 1 3 . 1 1 108 108 ALA N N 108 123.660 123.660 122.344 1.316 18713 1928 1 3 . 1 1 108 108 ALA HA H 108 4.018 4.018 4.219 -0.201 18713 1929 1 3 . 1 1 108 108 ALA C C 108 180.350 180.350 179.920 0.430 18713 1930 1 3 . 1 1 108 108 ALA CA C 108 55.670 55.670 55.073 0.597 18713 1931 1 3 . 1 1 108 108 ALA CB C 108 20.650 20.650 18.403 2.247 18713 1932 1 3 . 1 1 108 108 ALA H H 108 7.912 7.912 8.297 -0.385 18713 1933 1 3 . 1 1 109 109 LEU N N 109 119.820 119.820 119.030 0.790 18713 1934 1 3 . 1 1 109 109 LEU HA H 109 3.887 3.887 4.094 -0.207 18713 1935 1 3 . 1 1 109 109 LEU C C 109 179.290 179.290 178.883 0.407 18713 1936 1 3 . 1 1 109 109 LEU CA C 109 57.870 57.870 57.542 0.328 18713 1937 1 3 . 1 1 109 109 LEU CB C 109 41.430 41.430 41.973 -0.543 18713 1938 1 3 . 1 1 109 109 LEU H H 109 8.727 8.727 8.386 0.341 18713 1939 1 3 . 1 1 110 110 LYS N N 110 120.420 120.420 120.328 0.092 18713 1940 1 3 . 1 1 110 110 LYS HA H 110 4.158 4.158 4.146 0.012 18713 1941 1 3 . 1 1 110 110 LYS C C 110 179.470 179.470 179.708 -0.238 18713 1942 1 3 . 1 1 110 110 LYS CA C 110 58.850 58.850 59.431 -0.581 18713 1943 1 3 . 1 1 110 110 LYS CB C 110 32.050 32.050 32.462 -0.411 18713 1944 1 3 . 1 1 110 110 LYS H H 110 8.180 8.180 8.466 -0.286 18713 1945 1 3 . 1 1 111 111 ARG N N 111 119.820 119.820 116.586 3.234 18713 1946 1 3 . 1 1 111 111 ARG HA H 111 4.142 4.142 4.419 -0.277 18713 1947 1 3 . 1 1 111 111 ARG C C 111 177.240 177.240 178.152 -0.912 18713 1948 1 3 . 1 1 111 111 ARG CA C 111 58.150 58.150 58.062 0.088 18713 1949 1 3 . 1 1 111 111 ARG CB C 111 29.810 29.810 29.809 0.001 18713 1950 1 3 . 1 1 111 111 ARG H H 111 7.765 7.765 7.951 -0.186 18713 1951 1 3 . 1 1 112 112 GLN N N 112 116.120 116.120 118.406 -2.286 18713 1952 1 3 . 1 1 112 112 GLN HA H 112 4.435 4.435 4.302 0.133 18713 1953 1 3 . 1 1 112 112 GLN C C 112 176.060 176.060 175.893 0.167 18713 1954 1 3 . 1 1 112 112 GLN CA C 112 55.550 55.550 56.414 -0.865 18713 1955 1 3 . 1 1 112 112 GLN CB C 112 28.760 28.760 29.316 -0.556 18713 1956 1 3 . 1 1 112 112 GLN H H 112 7.856 7.856 7.685 0.171 18713 1957 1 3 . 1 1 113 113 GLY N N 113 108.070 108.070 106.487 1.583 18713 1958 1 3 . 1 1 113 113 GLY C C 113 174.240 174.240 174.594 -0.354 18713 1959 1 3 . 1 1 113 113 GLY CA C 113 45.953 45.953 44.867 1.087 18713 1960 1 3 . 1 1 113 113 GLY H H 113 8.048 8.048 7.775 0.273 18713 1961 1 3 . 1 1 114 114 ARG N N 114 119.710 119.710 121.047 -1.337 18713 1962 1 3 . 1 1 114 114 ARG HA H 114 4.565 4.565 4.676 -0.111 18713 1963 1 3 . 1 1 114 114 ARG C C 114 175.490 175.490 176.860 -1.370 18713 1964 1 3 . 1 1 114 114 ARG CA C 114 57.950 57.950 54.934 3.016 18713 1965 1 3 . 1 1 114 114 ARG CB C 114 31.510 31.510 30.836 0.674 18713 1966 1 3 . 1 1 114 114 ARG H H 114 8.116 8.116 8.003 0.113 18713 1967 1 3 . 1 1 115 115 THR N N 115 114.890 114.890 111.294 3.596 18713 1968 1 3 . 1 1 115 115 THR HA H 115 4.262 4.262 3.876 0.386 18713 1969 1 3 . 1 1 115 115 THR C C 115 173.460 173.460 173.752 -0.292 18713 1970 1 3 . 1 1 115 115 THR CA C 115 61.820 61.820 63.388 -1.568 18713 1971 1 3 . 1 1 115 115 THR CB C 115 70.050 70.050 68.188 1.862 18713 1972 1 3 . 1 1 115 115 THR H H 115 8.143 8.143 8.578 -0.435 18713 1973 1 3 . 1 1 116 116 LEU N N 116 124.070 124.070 120.024 4.046 18713 1974 1 3 . 1 1 116 116 LEU HA H 116 4.425 4.425 4.114 0.311 18713 1975 1 3 . 1 1 116 116 LEU C C 116 175.830 175.830 177.543 -1.713 18713 1976 1 3 . 1 1 116 116 LEU CA C 116 54.760 54.760 55.433 -0.673 18713 1977 1 3 . 1 1 116 116 LEU CB C 116 43.280 43.280 41.933 1.347 18713 1978 1 3 . 1 1 116 116 LEU H H 116 8.143 8.143 7.650 0.493 18713 1979 1 3 . 1 1 117 117 TYR N N 117 121.630 121.630 123.110 -1.480 18713 1980 1 3 . 1 1 117 117 TYR HA H 117 4.550 4.550 4.325 0.225 18713 1981 1 3 . 1 1 117 117 TYR C C 117 175.830 175.830 176.881 -1.051 18713 1982 1 3 . 1 1 117 117 TYR CA C 117 58.140 58.140 59.386 -1.246 18713 1983 1 3 . 1 1 117 117 TYR CB C 117 38.850 38.850 38.857 -0.007 18713 1984 1 3 . 1 1 117 117 TYR H H 117 8.213 8.213 8.745 -0.532 18713 1985 1 3 . 1 1 118 118 GLY N N 118 110.050 110.050 102.966 7.084 18713 1986 1 3 . 1 1 118 118 GLY C C 118 173.660 173.660 174.814 -1.154 18713 1987 1 3 . 1 1 118 118 GLY CA C 118 45.470 45.470 45.004 0.466 18713 1988 1 3 . 1 1 118 118 GLY H H 118 8.275 8.275 8.058 0.217 18713 1989 1 3 . 1 1 119 119 PHE N N 119 119.610 119.610 120.980 -1.370 18713 1990 1 3 . 1 1 119 119 PHE HA H 119 4.612 4.612 4.489 0.123 18713 1991 1 3 . 1 1 119 119 PHE C C 119 175.280 175.280 177.369 -2.089 18713 1992 1 3 . 1 1 119 119 PHE CA C 119 58.060 58.060 59.853 -1.793 18713 1993 1 3 . 1 1 119 119 PHE CB C 119 40.050 40.050 39.331 0.719 18713 1994 1 3 . 1 1 119 119 PHE H H 119 8.033 8.033 8.137 -0.104 18713 1995 1 3 . 1 1 120 120 GLY N N 120 110.930 110.930 107.424 3.506 18713 1996 1 3 . 1 1 120 120 GLY C C 120 173.050 173.050 174.355 -1.305 18713 1997 1 3 . 1 1 120 120 GLY CA C 120 45.650 45.650 44.649 1.001 18713 1998 1 3 . 1 1 120 120 GLY H H 120 8.334 8.334 8.033 0.301 18713 1999 1 4 . 1 1 2 2 ILE HA H 2 4.175 4.175 4.253 -0.078 18713 2000 1 4 . 1 1 2 2 ILE CA C 2 61.880 61.880 62.351 -0.471 18713 2001 1 4 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.992 -0.222 18713 2002 1 4 . 1 1 3 3 SER N N 3 116.020 116.020 115.655 0.365 18713 2003 1 4 . 1 1 3 3 SER HA H 3 4.435 4.435 4.184 0.251 18713 2004 1 4 . 1 1 3 3 SER CA C 3 59.590 59.590 60.100 -0.510 18713 2005 1 4 . 1 1 3 3 SER CB C 3 63.640 63.640 63.422 0.218 18713 2006 1 4 . 1 1 3 3 SER H H 3 7.913 7.913 8.165 -0.252 18713 2007 1 4 . 1 1 4 4 LYS N N 4 120.030 120.030 118.454 1.576 18713 2008 1 4 . 1 1 4 4 LYS HA H 4 4.380 4.380 3.921 0.459 18713 2009 1 4 . 1 1 4 4 LYS CA C 4 56.150 56.150 58.026 -1.876 18713 2010 1 4 . 1 1 4 4 LYS CB C 4 32.850 32.850 31.518 1.332 18713 2011 1 4 . 1 1 4 4 LYS H H 4 7.979 7.979 7.519 0.460 18713 2012 1 4 . 1 1 7 7 PHE HA H 7 4.023 4.023 4.276 -0.253 18713 2013 1 4 . 1 1 7 7 PHE C C 7 176.700 176.700 176.997 -0.297 18713 2014 1 4 . 1 1 7 7 PHE CA C 7 63.150 63.150 60.507 2.643 18713 2015 1 4 . 1 1 7 7 PHE CB C 7 39.880 39.880 38.099 1.781 18713 2016 1 4 . 1 1 8 8 ALA N N 8 121.230 121.230 121.557 -0.327 18713 2017 1 4 . 1 1 8 8 ALA HA H 8 3.920 3.920 3.756 0.164 18713 2018 1 4 . 1 1 8 8 ALA C C 8 178.010 178.010 179.532 -1.522 18713 2019 1 4 . 1 1 8 8 ALA CA C 8 55.630 55.630 55.091 0.539 18713 2020 1 4 . 1 1 8 8 ALA CB C 8 17.750 17.750 18.137 -0.387 18713 2021 1 4 . 1 1 8 8 ALA H H 8 8.715 8.715 8.656 0.059 18713 2022 1 4 . 1 1 9 9 ARG N N 9 118.910 118.910 118.209 0.701 18713 2023 1 4 . 1 1 9 9 ARG HA H 9 4.081 4.081 3.902 0.179 18713 2024 1 4 . 1 1 9 9 ARG C C 9 177.790 177.790 178.883 -1.093 18713 2025 1 4 . 1 1 9 9 ARG CA C 9 58.700 58.700 59.464 -0.764 18713 2026 1 4 . 1 1 9 9 ARG CB C 9 30.120 30.120 30.145 -0.025 18713 2027 1 4 . 1 1 9 9 ARG H H 9 7.618 7.618 7.519 0.099 18713 2028 1 4 . 1 1 10 10 LEU N N 10 120.830 120.830 120.653 0.177 18713 2029 1 4 . 1 1 10 10 LEU HA H 10 4.233 4.233 3.932 0.301 18713 2030 1 4 . 1 1 10 10 LEU C C 10 177.780 177.780 178.722 -0.942 18713 2031 1 4 . 1 1 10 10 LEU CA C 10 57.680 57.680 57.939 -0.259 18713 2032 1 4 . 1 1 10 10 LEU CB C 10 41.680 41.680 41.801 -0.121 18713 2033 1 4 . 1 1 10 10 LEU H H 10 7.752 7.752 8.156 -0.404 18713 2034 1 4 . 1 1 11 11 VAL N N 11 117.150 117.150 119.532 -2.382 18713 2035 1 4 . 1 1 11 11 VAL HA H 11 3.425 3.425 3.319 0.106 18713 2036 1 4 . 1 1 11 11 VAL C C 11 177.830 177.830 177.790 0.040 18713 2037 1 4 . 1 1 11 11 VAL CA C 11 66.930 66.930 66.957 -0.027 18713 2038 1 4 . 1 1 11 11 VAL CB C 11 31.520 31.520 31.104 0.416 18713 2039 1 4 . 1 1 11 11 VAL H H 11 8.180 8.180 8.346 -0.166 18713 2040 1 4 . 1 1 12 12 LYS N N 12 121.880 121.880 119.822 2.058 18713 2041 1 4 . 1 1 12 12 LYS HA H 12 3.998 3.998 3.968 0.030 18713 2042 1 4 . 1 1 12 12 LYS C C 12 176.790 176.790 179.229 -2.439 18713 2043 1 4 . 1 1 12 12 LYS CA C 12 58.950 58.950 59.520 -0.570 18713 2044 1 4 . 1 1 12 12 LYS CB C 12 32.120 32.120 32.003 0.117 18713 2045 1 4 . 1 1 12 12 LYS H H 12 7.668 7.668 8.163 -0.495 18713 2046 1 4 . 1 1 13 13 GLU N N 13 118.250 118.250 119.422 -1.172 18713 2047 1 4 . 1 1 13 13 GLU HA H 13 4.085 4.085 4.044 0.041 18713 2048 1 4 . 1 1 13 13 GLU C C 13 179.280 179.280 178.977 0.303 18713 2049 1 4 . 1 1 13 13 GLU CA C 13 59.650 59.650 59.315 0.335 18713 2050 1 4 . 1 1 13 13 GLU CB C 13 29.770 29.770 29.513 0.257 18713 2051 1 4 . 1 1 13 13 GLU H H 13 8.149 8.149 7.987 0.162 18713 2052 1 4 . 1 1 14 14 VAL N N 14 117.450 117.450 118.648 -1.198 18713 2053 1 4 . 1 1 14 14 VAL HA H 14 4.007 4.007 3.428 0.579 18713 2054 1 4 . 1 1 14 14 VAL C C 14 178.350 178.350 177.460 0.890 18713 2055 1 4 . 1 1 14 14 VAL CA C 14 66.220 66.220 66.187 0.033 18713 2056 1 4 . 1 1 14 14 VAL CB C 14 31.250 31.250 31.341 -0.091 18713 2057 1 4 . 1 1 14 14 VAL H H 14 7.974 7.974 8.042 -0.068 18713 2058 1 4 . 1 1 15 15 THR N N 15 113.780 113.780 111.805 1.975 18713 2059 1 4 . 1 1 15 15 THR HA H 15 3.771 3.771 3.527 0.244 18713 2060 1 4 . 1 1 15 15 THR C C 15 178.190 178.190 176.123 2.067 18713 2061 1 4 . 1 1 15 15 THR CA C 15 66.990 66.990 66.179 0.811 18713 2062 1 4 . 1 1 15 15 THR CB C 15 68.590 68.590 68.503 0.087 18713 2063 1 4 . 1 1 15 15 THR H H 15 8.569 8.569 7.919 0.650 18713 2064 1 4 . 1 1 16 16 ASP N N 16 123.420 123.420 122.069 1.351 18713 2065 1 4 . 1 1 16 16 ASP HA H 16 4.545 4.545 4.315 0.230 18713 2066 1 4 . 1 1 16 16 ASP C C 16 178.450 178.450 178.072 0.378 18713 2067 1 4 . 1 1 16 16 ASP CA C 16 57.410 57.410 57.146 0.264 18713 2068 1 4 . 1 1 16 16 ASP CB C 16 39.880 39.880 39.928 -0.048 18713 2069 1 4 . 1 1 16 16 ASP H H 16 8.664 8.664 8.157 0.507 18713 2070 1 4 . 1 1 17 17 GLU N N 17 120.180 120.180 118.837 1.343 18713 2071 1 4 . 1 1 17 17 GLU HA H 17 4.089 4.089 4.074 0.015 18713 2072 1 4 . 1 1 17 17 GLU C C 17 178.220 178.220 179.821 -1.601 18713 2073 1 4 . 1 1 17 17 GLU CA C 17 59.050 59.050 59.008 0.042 18713 2074 1 4 . 1 1 17 17 GLU CB C 17 28.850 28.850 29.611 -0.761 18713 2075 1 4 . 1 1 17 17 GLU H H 17 7.705 7.705 7.382 0.323 18713 2076 1 4 . 1 1 18 18 PHE N N 18 117.450 117.450 118.059 -0.609 18713 2077 1 4 . 1 1 18 18 PHE HA H 18 4.396 4.396 4.502 -0.106 18713 2078 1 4 . 1 1 18 18 PHE C C 18 177.130 177.130 177.941 -0.811 18713 2079 1 4 . 1 1 18 18 PHE CA C 18 60.720 60.720 58.023 2.697 18713 2080 1 4 . 1 1 18 18 PHE CB C 18 39.880 39.880 38.379 1.501 18713 2081 1 4 . 1 1 18 18 PHE H H 18 7.911 7.911 7.533 0.378 18713 2082 1 4 . 1 1 19 19 THR N N 19 115.450 115.450 113.680 1.770 18713 2083 1 4 . 1 1 19 19 THR HA H 19 4.510 4.510 4.442 0.068 18713 2084 1 4 . 1 1 19 19 THR C C 19 175.160 175.160 175.039 0.121 18713 2085 1 4 . 1 1 19 19 THR CA C 19 63.880 63.880 63.461 0.419 18713 2086 1 4 . 1 1 19 19 THR CB C 19 69.450 69.450 68.072 1.378 18713 2087 1 4 . 1 1 19 19 THR H H 19 8.270 8.270 8.754 -0.484 18713 2088 1 4 . 1 1 20 20 THR N N 20 114.370 114.370 116.908 -2.538 18713 2089 1 4 . 1 1 20 20 THR HA H 20 4.262 4.262 3.998 0.264 18713 2090 1 4 . 1 1 20 20 THR C C 20 175.280 175.280 174.955 0.325 18713 2091 1 4 . 1 1 20 20 THR CA C 20 63.850 63.850 64.487 -0.637 18713 2092 1 4 . 1 1 20 20 THR CB C 20 69.250 69.250 68.746 0.504 18713 2093 1 4 . 1 1 20 20 THR H H 20 7.974 7.974 7.444 0.530 18713 2094 1 4 . 1 1 21 21 LYS N N 21 119.710 119.710 118.467 1.243 18713 2095 1 4 . 1 1 21 21 LYS HA H 21 4.291 4.291 4.188 0.103 18713 2096 1 4 . 1 1 21 21 LYS C C 21 176.070 176.070 176.819 -0.749 18713 2097 1 4 . 1 1 21 21 LYS CA C 21 57.180 57.180 56.792 0.388 18713 2098 1 4 . 1 1 21 21 LYS CB C 21 32.830 32.830 31.640 1.190 18713 2099 1 4 . 1 1 21 21 LYS H H 21 7.519 7.519 7.923 -0.404 18713 2100 1 4 . 1 1 22 22 ASP N N 22 119.020 119.020 122.066 -3.046 18713 2101 1 4 . 1 1 22 22 ASP HA H 22 4.730 4.730 4.632 0.098 18713 2102 1 4 . 1 1 22 22 ASP C C 22 175.080 175.080 176.480 -1.400 18713 2103 1 4 . 1 1 22 22 ASP CA C 22 53.770 53.770 53.226 0.544 18713 2104 1 4 . 1 1 22 22 ASP CB C 22 39.990 39.990 39.531 0.459 18713 2105 1 4 . 1 1 22 22 ASP H H 22 7.841 7.841 8.086 -0.245 18713 2106 1 4 . 1 1 23 23 GLN N N 23 120.720 120.720 117.785 2.935 18713 2107 1 4 . 1 1 23 23 GLN HA H 23 4.425 4.425 4.111 0.314 18713 2108 1 4 . 1 1 23 23 GLN C C 23 175.860 175.860 176.449 -0.589 18713 2109 1 4 . 1 1 23 23 GLN CA C 23 57.530 57.530 58.092 -0.562 18713 2110 1 4 . 1 1 23 23 GLN CB C 23 29.050 29.050 28.852 0.198 18713 2111 1 4 . 1 1 23 23 GLN H H 23 8.313 8.313 8.469 -0.156 18713 2112 1 4 . 1 1 24 24 ASP N N 24 119.150 119.150 113.840 5.310 18713 2113 1 4 . 1 1 24 24 ASP HA H 24 4.655 4.655 4.700 -0.045 18713 2114 1 4 . 1 1 24 24 ASP C C 24 174.840 174.840 174.666 0.174 18713 2115 1 4 . 1 1 24 24 ASP CA C 24 54.560 54.560 53.837 0.723 18713 2116 1 4 . 1 1 24 24 ASP CB C 24 41.290 41.290 42.209 -0.919 18713 2117 1 4 . 1 1 24 24 ASP H H 24 8.313 8.313 8.131 0.182 18713 2118 1 4 . 1 1 25 25 LEU N N 25 121.240 121.240 120.896 0.344 18713 2119 1 4 . 1 1 25 25 LEU HA H 25 4.602 4.602 4.180 0.422 18713 2120 1 4 . 1 1 25 25 LEU C C 25 176.550 176.550 176.834 -0.284 18713 2121 1 4 . 1 1 25 25 LEU CA C 25 55.060 55.060 56.215 -1.155 18713 2122 1 4 . 1 1 25 25 LEU CB C 25 43.520 43.520 42.551 0.969 18713 2123 1 4 . 1 1 25 25 LEU H H 25 7.572 7.572 7.971 -0.399 18713 2124 1 4 . 1 1 26 26 ARG N N 26 123.560 123.560 119.434 4.126 18713 2125 1 4 . 1 1 26 26 ARG HA H 26 4.787 4.787 4.663 0.124 18713 2126 1 4 . 1 1 26 26 ARG C C 26 174.040 174.040 174.376 -0.336 18713 2127 1 4 . 1 1 26 26 ARG CA C 26 54.010 54.010 55.283 -1.273 18713 2128 1 4 . 1 1 26 26 ARG CB C 26 33.170 33.170 32.856 0.314 18713 2129 1 4 . 1 1 26 26 ARG H H 26 8.385 8.385 8.415 -0.030 18713 2130 1 4 . 1 1 27 27 TRP N N 27 121.230 121.230 126.164 -4.934 18713 2131 1 4 . 1 1 27 27 TRP HA H 27 4.608 4.608 4.895 -0.287 18713 2132 1 4 . 1 1 27 27 TRP C C 27 176.280 176.280 176.433 -0.153 18713 2133 1 4 . 1 1 27 27 TRP CA C 27 56.110 56.110 56.817 -0.707 18713 2134 1 4 . 1 1 27 27 TRP CB C 27 30.350 30.350 29.681 0.669 18713 2135 1 4 . 1 1 27 27 TRP H H 27 8.824 8.824 8.817 0.007 18713 2136 1 4 . 1 1 28 28 GLN N N 28 122.270 122.270 124.435 -2.165 18713 2137 1 4 . 1 1 28 28 GLN HA H 28 4.163 4.163 4.574 -0.411 18713 2138 1 4 . 1 1 28 28 GLN C C 28 176.280 176.280 177.063 -0.783 18713 2139 1 4 . 1 1 28 28 GLN CA C 28 56.850 56.850 54.546 2.304 18713 2140 1 4 . 1 1 28 28 GLN CB C 28 32.830 32.830 29.457 3.373 18713 2141 1 4 . 1 1 28 28 GLN H H 28 8.427 8.427 7.926 0.501 18713 2142 1 4 . 1 1 29 29 SER HA H 29 4.276 4.276 4.199 0.077 18713 2143 1 4 . 1 1 29 29 SER CA C 29 63.180 63.180 61.651 1.529 18713 2144 1 4 . 1 1 29 29 SER CB C 29 62.930 62.930 63.064 -0.134 18713 2145 1 4 . 1 1 30 30 MET HA H 30 4.430 4.430 4.102 0.328 18713 2146 1 4 . 1 1 30 30 MET C C 30 178.450 178.450 177.634 0.816 18713 2147 1 4 . 1 1 30 30 MET CA C 30 57.760 57.760 58.537 -0.777 18713 2148 1 4 . 1 1 30 30 MET CB C 30 32.120 32.120 32.190 -0.070 18713 2149 1 4 . 1 1 31 31 ALA N N 31 122.750 122.750 122.172 0.578 18713 2150 1 4 . 1 1 31 31 ALA HA H 31 4.015 4.015 3.882 0.133 18713 2151 1 4 . 1 1 31 31 ALA C C 31 178.090 178.090 179.640 -1.550 18713 2152 1 4 . 1 1 31 31 ALA CA C 31 55.430 55.430 55.122 0.308 18713 2153 1 4 . 1 1 31 31 ALA CB C 31 18.590 18.590 17.475 1.115 18713 2154 1 4 . 1 1 31 31 ALA H H 31 7.619 7.619 8.333 -0.714 18713 2155 1 4 . 1 1 32 32 ILE N N 32 117.950 117.950 118.827 -0.877 18713 2156 1 4 . 1 1 32 32 ILE HA H 32 3.691 3.691 3.754 -0.063 18713 2157 1 4 . 1 1 32 32 ILE C C 32 178.410 178.410 177.869 0.541 18713 2158 1 4 . 1 1 32 32 ILE CA C 32 63.290 63.290 64.739 -1.449 18713 2159 1 4 . 1 1 32 32 ILE CB C 32 36.120 36.120 37.929 -1.809 18713 2160 1 4 . 1 1 32 32 ILE H H 32 7.503 7.503 7.245 0.258 18713 2161 1 4 . 1 1 33 33 MET N N 33 118.790 118.790 119.027 -0.237 18713 2162 1 4 . 1 1 33 33 MET HA H 33 4.269 4.269 4.183 0.086 18713 2163 1 4 . 1 1 33 33 MET C C 33 177.970 177.970 177.763 0.207 18713 2164 1 4 . 1 1 33 33 MET CA C 33 57.670 57.670 58.442 -0.772 18713 2165 1 4 . 1 1 33 33 MET CB C 33 32.040 32.040 31.667 0.373 18713 2166 1 4 . 1 1 33 33 MET H H 33 8.034 8.034 7.686 0.348 18713 2167 1 4 . 1 1 34 34 ALA N N 34 122.470 122.470 122.130 0.340 18713 2168 1 4 . 1 1 34 34 ALA HA H 34 3.944 3.944 4.071 -0.127 18713 2169 1 4 . 1 1 34 34 ALA C C 34 179.680 179.680 179.119 0.561 18713 2170 1 4 . 1 1 34 34 ALA CA C 34 55.290 55.290 55.018 0.272 18713 2171 1 4 . 1 1 34 34 ALA CB C 34 17.050 17.050 18.137 -1.087 18713 2172 1 4 . 1 1 34 34 ALA H H 34 8.007 8.007 8.244 -0.237 18713 2173 1 4 . 1 1 35 35 LEU N N 35 118.310 118.310 119.717 -1.407 18713 2174 1 4 . 1 1 35 35 LEU HA H 35 3.945 3.945 4.053 -0.108 18713 2175 1 4 . 1 1 35 35 LEU C C 35 179.630 179.630 179.365 0.265 18713 2176 1 4 . 1 1 35 35 LEU CA C 35 57.880 57.880 58.339 -0.459 18713 2177 1 4 . 1 1 35 35 LEU CB C 35 42.710 42.710 41.199 1.511 18713 2178 1 4 . 1 1 35 35 LEU H H 35 8.003 8.003 7.786 0.217 18713 2179 1 4 . 1 1 36 36 GLN N N 36 122.480 122.480 118.000 4.480 18713 2180 1 4 . 1 1 36 36 GLN HA H 36 3.718 3.718 4.115 -0.397 18713 2181 1 4 . 1 1 36 36 GLN C C 36 177.850 177.850 178.993 -1.143 18713 2182 1 4 . 1 1 36 36 GLN CA C 36 60.150 60.150 58.848 1.302 18713 2183 1 4 . 1 1 36 36 GLN CB C 36 28.150 28.150 28.086 0.064 18713 2184 1 4 . 1 1 36 36 GLN H H 36 8.532 8.532 7.801 0.731 18713 2185 1 4 . 1 1 37 37 GLU N N 37 120.790 120.790 119.732 1.058 18713 2186 1 4 . 1 1 37 37 GLU HA H 37 4.043 4.043 4.419 -0.376 18713 2187 1 4 . 1 1 37 37 GLU C C 37 179.190 179.190 178.987 0.203 18713 2188 1 4 . 1 1 37 37 GLU CA C 37 59.650 59.650 58.810 0.840 18713 2189 1 4 . 1 1 37 37 GLU CB C 37 28.120 28.120 29.345 -1.225 18713 2190 1 4 . 1 1 37 37 GLU H H 37 8.562 8.562 8.371 0.191 18713 2191 1 4 . 1 1 38 38 ALA N N 38 121.430 121.430 122.783 -1.353 18713 2192 1 4 . 1 1 38 38 ALA HA H 38 4.228 4.228 3.966 0.262 18713 2193 1 4 . 1 1 38 38 ALA C C 38 179.740 179.740 179.982 -0.242 18713 2194 1 4 . 1 1 38 38 ALA CA C 38 54.550 54.550 55.189 -0.639 18713 2195 1 4 . 1 1 38 38 ALA CB C 38 19.050 19.050 18.202 0.848 18713 2196 1 4 . 1 1 38 38 ALA H H 38 8.626 8.626 8.388 0.238 18713 2197 1 4 . 1 1 39 39 SER N N 39 115.350 115.350 114.563 0.787 18713 2198 1 4 . 1 1 39 39 SER HA H 39 4.159 4.159 4.164 -0.005 18713 2199 1 4 . 1 1 39 39 SER C C 39 174.490 174.490 177.033 -2.543 18713 2200 1 4 . 1 1 39 39 SER CA C 39 62.550 62.550 62.435 0.115 18713 2201 1 4 . 1 1 39 39 SER CB C 39 64.580 64.580 63.485 1.095 18713 2202 1 4 . 1 1 39 39 SER H H 39 8.160 8.160 8.111 0.049 18713 2203 1 4 . 1 1 40 40 GLU N N 40 123.380 123.380 120.537 2.843 18713 2204 1 4 . 1 1 40 40 GLU HA H 40 3.545 3.545 4.176 -0.631 18713 2205 1 4 . 1 1 40 40 GLU C C 40 177.080 177.080 178.606 -1.526 18713 2206 1 4 . 1 1 40 40 GLU CA C 40 59.890 59.890 59.067 0.823 18713 2207 1 4 . 1 1 40 40 GLU CB C 40 28.150 28.150 29.276 -1.126 18713 2208 1 4 . 1 1 40 40 GLU H H 40 7.632 7.632 8.016 -0.384 18713 2209 1 4 . 1 1 41 41 ALA N N 41 120.090 120.090 122.591 -2.501 18713 2210 1 4 . 1 1 41 41 ALA HA H 41 4.007 4.007 4.045 -0.038 18713 2211 1 4 . 1 1 41 41 ALA C C 41 180.370 180.370 179.446 0.924 18713 2212 1 4 . 1 1 41 41 ALA CA C 41 54.930 54.930 54.715 0.214 18713 2213 1 4 . 1 1 41 41 ALA CB C 41 18.150 18.150 17.964 0.186 18713 2214 1 4 . 1 1 41 41 ALA H H 41 7.860 7.860 8.222 -0.362 18713 2215 1 4 . 1 1 42 42 TYR N N 42 120.400 120.400 119.796 0.604 18713 2216 1 4 . 1 1 42 42 TYR HA H 42 3.970 3.970 4.027 -0.057 18713 2217 1 4 . 1 1 42 42 TYR C C 42 177.220 177.220 177.567 -0.347 18713 2218 1 4 . 1 1 42 42 TYR CA C 42 60.350 60.350 61.889 -1.540 18713 2219 1 4 . 1 1 42 42 TYR CB C 42 38.450 38.450 38.566 -0.116 18713 2220 1 4 . 1 1 42 42 TYR H H 42 8.266 8.266 8.046 0.220 18713 2221 1 4 . 1 1 43 43 LEU N N 43 119.630 119.630 119.509 0.121 18713 2222 1 4 . 1 1 43 43 LEU HA H 43 3.812 3.812 3.832 -0.020 18713 2223 1 4 . 1 1 43 43 LEU C C 43 177.790 177.790 178.607 -0.817 18713 2224 1 4 . 1 1 43 43 LEU CA C 43 57.530 57.530 58.255 -0.725 18713 2225 1 4 . 1 1 43 43 LEU CB C 43 41.990 41.990 41.855 0.135 18713 2226 1 4 . 1 1 43 43 LEU H H 43 8.080 8.080 7.730 0.350 18713 2227 1 4 . 1 1 44 44 VAL N N 44 118.320 118.320 118.902 -0.582 18713 2228 1 4 . 1 1 44 44 VAL HA H 44 3.450 3.450 3.481 -0.031 18713 2229 1 4 . 1 1 44 44 VAL C C 44 177.960 177.960 177.898 0.062 18713 2230 1 4 . 1 1 44 44 VAL CA C 44 67.150 67.150 67.010 0.140 18713 2231 1 4 . 1 1 44 44 VAL CB C 44 31.250 31.250 31.288 -0.038 18713 2232 1 4 . 1 1 44 44 VAL H H 44 8.415 8.415 8.313 0.102 18713 2233 1 4 . 1 1 45 45 GLY N N 45 106.020 106.020 107.631 -1.611 18713 2234 1 4 . 1 1 45 45 GLY C C 45 176.070 176.070 175.533 0.537 18713 2235 1 4 . 1 1 45 45 GLY CA C 45 47.410 47.410 46.763 0.647 18713 2236 1 4 . 1 1 45 45 GLY H H 45 7.747 7.747 7.911 -0.164 18713 2237 1 4 . 1 1 46 46 LEU N N 46 122.340 122.340 123.798 -1.458 18713 2238 1 4 . 1 1 46 46 LEU HA H 46 4.002 4.002 3.927 0.075 18713 2239 1 4 . 1 1 46 46 LEU C C 46 179.520 179.520 178.490 1.030 18713 2240 1 4 . 1 1 46 46 LEU CA C 46 57.410 57.410 57.127 0.283 18713 2241 1 4 . 1 1 46 46 LEU CB C 46 42.350 42.350 41.926 0.424 18713 2242 1 4 . 1 1 46 46 LEU H H 46 7.802 7.802 7.705 0.097 18713 2243 1 4 . 1 1 47 47 LEU N N 47 118.450 118.450 120.235 -1.785 18713 2244 1 4 . 1 1 47 47 LEU HA H 47 4.169 4.169 3.916 0.253 18713 2245 1 4 . 1 1 47 47 LEU C C 47 178.210 178.210 178.224 -0.014 18713 2246 1 4 . 1 1 47 47 LEU CA C 47 56.950 56.950 58.409 -1.459 18713 2247 1 4 . 1 1 47 47 LEU CB C 47 41.850 41.850 41.584 0.266 18713 2248 1 4 . 1 1 47 47 LEU H H 47 8.082 8.082 8.470 -0.388 18713 2249 1 4 . 1 1 48 48 GLU N N 48 116.980 116.980 115.690 1.290 18713 2250 1 4 . 1 1 48 48 GLU HA H 48 4.142 4.142 4.003 0.139 18713 2251 1 4 . 1 1 48 48 GLU C C 48 177.120 177.120 178.493 -1.373 18713 2252 1 4 . 1 1 48 48 GLU CA C 48 57.450 57.450 58.740 -1.290 18713 2253 1 4 . 1 1 48 48 GLU CB C 48 30.010 30.010 29.749 0.261 18713 2254 1 4 . 1 1 48 48 GLU H H 48 7.870 7.870 8.116 -0.246 18713 2255 1 4 . 1 1 49 49 HIS N N 49 114.660 114.660 116.266 -1.606 18713 2256 1 4 . 1 1 49 49 HIS HA H 49 4.878 4.878 4.388 0.490 18713 2257 1 4 . 1 1 49 49 HIS C C 49 174.070 174.070 176.305 -2.235 18713 2258 1 4 . 1 1 49 49 HIS CA C 49 55.760 55.760 57.347 -1.587 18713 2259 1 4 . 1 1 49 49 HIS CB C 49 29.880 29.880 30.418 -0.538 18713 2260 1 4 . 1 1 49 49 HIS H H 49 7.833 7.833 7.907 -0.074 18713 2261 1 4 . 1 1 50 50 THR N N 50 113.050 113.050 111.337 1.713 18713 2262 1 4 . 1 1 50 50 THR HA H 50 4.571 4.571 4.491 0.080 18713 2263 1 4 . 1 1 50 50 THR C C 50 173.390 173.390 175.162 -1.772 18713 2264 1 4 . 1 1 50 50 THR CA C 50 61.880 61.880 60.765 1.115 18713 2265 1 4 . 1 1 50 50 THR CB C 50 70.350 70.350 70.166 0.184 18713 2266 1 4 . 1 1 50 50 THR H H 50 7.871 7.871 8.024 -0.153 18713 2267 1 4 . 1 1 51 51 ASN N N 51 119.760 119.760 116.961 2.799 18713 2268 1 4 . 1 1 51 51 ASN HA H 51 4.868 4.868 4.414 0.454 18713 2269 1 4 . 1 1 51 51 ASN C C 51 175.440 175.440 175.922 -0.482 18713 2270 1 4 . 1 1 51 51 ASN CA C 51 52.870 52.870 55.581 -2.711 18713 2271 1 4 . 1 1 51 51 ASN CB C 51 38.470 38.470 37.190 1.280 18713 2272 1 4 . 1 1 51 51 ASN H H 51 8.477 8.477 8.815 -0.338 18713 2273 1 4 . 1 1 52 52 LEU N N 52 121.360 121.360 119.756 1.604 18713 2274 1 4 . 1 1 52 52 LEU HA H 52 4.144 4.144 4.233 -0.089 18713 2275 1 4 . 1 1 52 52 LEU C C 52 177.440 177.440 178.808 -1.368 18713 2276 1 4 . 1 1 52 52 LEU CA C 52 56.880 56.880 56.392 0.488 18713 2277 1 4 . 1 1 52 52 LEU CB C 52 42.240 42.240 41.900 0.341 18713 2278 1 4 . 1 1 52 52 LEU H H 52 8.089 8.089 8.235 -0.146 18713 2279 1 4 . 1 1 53 53 LEU N N 53 119.350 119.350 119.644 -0.294 18713 2280 1 4 . 1 1 53 53 LEU HA H 53 4.255 4.255 3.994 0.261 18713 2281 1 4 . 1 1 53 53 LEU C C 53 177.360 177.360 178.045 -0.685 18713 2282 1 4 . 1 1 53 53 LEU CA C 53 56.010 56.010 57.349 -1.339 18713 2283 1 4 . 1 1 53 53 LEU CB C 53 41.770 41.770 41.106 0.664 18713 2284 1 4 . 1 1 53 53 LEU H H 53 8.165 8.165 7.837 0.328 18713 2285 1 4 . 1 1 54 54 ALA N N 54 122.310 122.310 120.495 1.815 18713 2286 1 4 . 1 1 54 54 ALA HA H 54 4.222 4.222 4.322 -0.100 18713 2287 1 4 . 1 1 54 54 ALA C C 54 177.620 177.620 178.989 -1.369 18713 2288 1 4 . 1 1 54 54 ALA CA C 54 53.250 53.250 54.016 -0.765 18713 2289 1 4 . 1 1 54 54 ALA CB C 54 18.820 18.820 18.567 0.253 18713 2290 1 4 . 1 1 54 54 ALA H H 54 7.969 7.969 7.420 0.549 18713 2291 1 4 . 1 1 55 55 LEU N N 55 117.930 117.930 117.375 0.555 18713 2292 1 4 . 1 1 55 55 LEU HA H 55 4.233 4.233 3.991 0.242 18713 2293 1 4 . 1 1 55 55 LEU C C 55 176.740 176.740 178.331 -1.591 18713 2294 1 4 . 1 1 55 55 LEU CA C 55 55.420 55.420 57.168 -1.748 18713 2295 1 4 . 1 1 55 55 LEU CB C 55 42.350 42.350 42.243 0.107 18713 2296 1 4 . 1 1 55 55 LEU H H 55 7.696 7.696 7.613 0.083 18713 2297 1 4 . 1 1 56 56 HIS N N 56 117.120 117.120 114.671 2.449 18713 2298 1 4 . 1 1 56 56 HIS HA H 56 4.665 4.665 4.602 0.063 18713 2299 1 4 . 1 1 56 56 HIS C C 56 174.150 174.150 174.391 -0.241 18713 2300 1 4 . 1 1 56 56 HIS CA C 56 55.420 55.420 56.247 -0.827 18713 2301 1 4 . 1 1 56 56 HIS CB C 56 29.250 29.250 33.000 -3.750 18713 2302 1 4 . 1 1 56 56 HIS H H 56 8.196 8.196 7.689 0.507 18713 2303 1 4 . 1 1 57 57 LEU N N 57 120.690 120.690 121.965 -1.275 18713 2304 1 4 . 1 1 57 57 LEU HA H 57 4.414 4.414 4.595 -0.181 18713 2305 1 4 . 1 1 57 57 LEU C C 57 175.760 175.760 175.547 0.213 18713 2306 1 4 . 1 1 57 57 LEU CA C 57 55.410 55.410 54.526 0.884 18713 2307 1 4 . 1 1 57 57 LEU CB C 57 42.470 42.470 44.372 -1.902 18713 2308 1 4 . 1 1 57 57 LEU H H 57 7.989 7.989 8.526 -0.537 18713 2309 1 4 . 1 1 58 58 VAL N N 58 119.740 119.740 121.198 -1.458 18713 2310 1 4 . 1 1 58 58 VAL HA H 58 4.485 4.485 4.362 0.123 18713 2311 1 4 . 1 1 58 58 VAL C C 58 173.880 173.880 174.288 -0.408 18713 2312 1 4 . 1 1 58 58 VAL CA C 58 59.520 59.520 59.503 0.017 18713 2313 1 4 . 1 1 58 58 VAL CB C 58 32.710 32.710 32.304 0.406 18713 2314 1 4 . 1 1 58 58 VAL H H 58 7.848 7.848 8.383 -0.535 18713 2315 1 4 . 1 1 59 59 PRO HA H 59 4.449 4.449 4.498 -0.049 18713 2316 1 4 . 1 1 59 59 PRO C C 59 174.250 174.250 176.239 -1.989 18713 2317 1 4 . 1 1 59 59 PRO CA C 59 63.200 63.200 63.149 0.051 18713 2318 1 4 . 1 1 59 59 PRO CB C 59 32.120 32.120 32.217 -0.097 18713 2319 1 4 . 1 1 60 60 ARG N N 60 121.450 121.450 124.409 -2.959 18713 2320 1 4 . 1 1 60 60 ARG HA H 60 4.335 4.335 4.532 -0.197 18713 2321 1 4 . 1 1 60 60 ARG C C 60 176.620 176.620 177.054 -0.434 18713 2322 1 4 . 1 1 60 60 ARG CA C 60 56.460 56.460 55.436 1.024 18713 2323 1 4 . 1 1 60 60 ARG CB C 60 30.720 30.720 29.915 0.805 18713 2324 1 4 . 1 1 60 60 ARG H H 60 8.397 8.397 8.440 -0.043 18713 2325 1 4 . 1 1 61 61 GLY N N 61 110.770 110.770 108.225 2.545 18713 2326 1 4 . 1 1 61 61 GLY C C 61 174.090 174.090 174.967 -0.877 18713 2327 1 4 . 1 1 61 61 GLY CA C 61 45.650 45.650 45.216 0.434 18713 2328 1 4 . 1 1 61 61 GLY H H 61 8.541 8.541 8.131 0.410 18713 2329 1 4 . 1 1 62 62 SER N N 62 115.890 115.890 117.637 -1.747 18713 2330 1 4 . 1 1 62 62 SER HA H 62 4.470 4.470 4.443 0.027 18713 2331 1 4 . 1 1 62 62 SER C C 62 174.270 174.270 173.843 0.427 18713 2332 1 4 . 1 1 62 62 SER CA C 62 58.750 58.750 58.990 -0.240 18713 2333 1 4 . 1 1 62 62 SER CB C 62 64.100 64.100 63.074 1.026 18713 2334 1 4 . 1 1 62 62 SER H H 62 8.145 8.145 8.305 -0.160 18713 2335 1 4 . 1 1 63 63 LYS N N 63 122.680 122.680 126.289 -3.609 18713 2336 1 4 . 1 1 63 63 LYS HA H 63 4.372 4.372 4.347 0.025 18713 2337 1 4 . 1 1 63 63 LYS C C 63 175.950 175.950 174.859 1.091 18713 2338 1 4 . 1 1 63 63 LYS CA C 63 56.120 56.120 56.943 -0.823 18713 2339 1 4 . 1 1 63 63 LYS CB C 63 32.830 32.830 33.514 -0.684 18713 2340 1 4 . 1 1 63 63 LYS H H 63 8.336 8.336 8.276 0.060 18713 2341 1 4 . 1 1 64 64 ARG N N 64 120.930 120.930 121.107 -0.177 18713 2342 1 4 . 1 1 64 64 ARG HA H 64 4.395 4.395 4.644 -0.249 18713 2343 1 4 . 1 1 64 64 ARG C C 64 175.550 175.550 175.005 0.545 18713 2344 1 4 . 1 1 64 64 ARG CA C 64 56.350 56.350 56.241 0.109 18713 2345 1 4 . 1 1 64 64 ARG CB C 64 30.950 30.950 31.816 -0.866 18713 2346 1 4 . 1 1 64 64 ARG H H 64 8.187 8.187 8.510 -0.323 18713 2347 1 4 . 1 1 65 65 ILE N N 65 121.120 121.120 126.118 -4.998 18713 2348 1 4 . 1 1 65 65 ILE HA H 65 4.255 4.255 4.499 -0.244 18713 2349 1 4 . 1 1 65 65 ILE C C 65 175.880 175.880 175.940 -0.060 18713 2350 1 4 . 1 1 65 65 ILE CA C 65 61.170 61.170 61.267 -0.097 18713 2351 1 4 . 1 1 65 65 ILE CB C 65 38.820 38.820 38.806 0.014 18713 2352 1 4 . 1 1 65 65 ILE H H 65 8.165 8.165 8.369 -0.204 18713 2353 1 4 . 1 1 66 66 SER N N 66 120.720 120.720 118.637 2.083 18713 2354 1 4 . 1 1 66 66 SER HA H 66 4.511 4.511 4.357 0.154 18713 2355 1 4 . 1 1 66 66 SER C C 66 174.490 174.490 175.539 -1.049 18713 2356 1 4 . 1 1 66 66 SER CA C 66 58.580 58.580 59.100 -0.520 18713 2357 1 4 . 1 1 66 66 SER CB C 66 64.110 64.110 63.495 0.615 18713 2358 1 4 . 1 1 66 66 SER H H 66 8.346 8.346 8.328 0.018 18713 2359 1 4 . 1 1 67 67 GLY N N 67 110.050 110.050 110.104 -0.054 18713 2360 1 4 . 1 1 67 67 GLY C C 67 175.840 175.840 173.146 2.694 18713 2361 1 4 . 1 1 67 67 GLY CA C 67 45.480 45.480 44.495 0.985 18713 2362 1 4 . 1 1 67 67 GLY H H 67 8.275 8.275 7.823 0.452 18713 2363 1 4 . 1 1 68 68 LEU N N 68 120.990 120.990 123.343 -2.353 18713 2364 1 4 . 1 1 68 68 LEU HA H 68 4.492 4.492 4.604 -0.112 18713 2365 1 4 . 1 1 68 68 LEU C C 68 177.450 177.450 177.397 0.053 18713 2366 1 4 . 1 1 68 68 LEU CA C 68 55.410 55.410 53.947 1.463 18713 2367 1 4 . 1 1 68 68 LEU CB C 68 42.710 42.710 42.542 0.168 18713 2368 1 4 . 1 1 68 68 LEU H H 68 8.057 8.057 8.366 -0.309 18713 2369 1 4 . 1 1 70 70 TYR HA H 70 4.039 4.039 4.100 -0.061 18713 2370 1 4 . 1 1 70 70 TYR CA C 70 61.650 61.650 62.225 -0.575 18713 2371 1 4 . 1 1 70 70 TYR CB C 70 38.250 38.250 38.074 0.176 18713 2372 1 4 . 1 1 71 71 GLU N N 71 117.580 117.580 118.802 -1.222 18713 2373 1 4 . 1 1 71 71 GLU HA H 71 4.173 4.173 4.070 0.103 18713 2374 1 4 . 1 1 71 71 GLU CA C 71 60.120 60.120 59.830 0.290 18713 2375 1 4 . 1 1 71 71 GLU CB C 71 29.080 29.080 28.905 0.175 18713 2376 1 4 . 1 1 71 71 GLU H H 71 8.999 8.999 8.848 0.151 18713 2377 1 4 . 1 1 72 72 GLU N N 72 119.620 119.620 119.151 0.469 18713 2378 1 4 . 1 1 72 72 GLU HA H 72 4.165 4.165 4.070 0.095 18713 2379 1 4 . 1 1 72 72 GLU C C 72 178.090 178.090 179.419 -1.329 18713 2380 1 4 . 1 1 72 72 GLU CA C 72 58.350 58.350 59.321 -0.971 18713 2381 1 4 . 1 1 72 72 GLU CB C 72 29.880 29.880 29.507 0.373 18713 2382 1 4 . 1 1 72 72 GLU H H 72 7.760 7.760 7.949 -0.189 18713 2383 1 4 . 1 1 73 73 VAL N N 73 117.510 117.510 119.969 -2.459 18713 2384 1 4 . 1 1 73 73 VAL HA H 73 3.757 3.757 3.533 0.224 18713 2385 1 4 . 1 1 73 73 VAL C C 73 176.620 176.620 177.779 -1.159 18713 2386 1 4 . 1 1 73 73 VAL CA C 73 65.450 65.450 66.676 -1.226 18713 2387 1 4 . 1 1 73 73 VAL CB C 73 31.540 31.540 31.448 0.092 18713 2388 1 4 . 1 1 73 73 VAL H H 73 7.869 7.869 8.293 -0.424 18713 2389 1 4 . 1 1 74 74 ARG N N 74 120.440 120.440 120.080 0.360 18713 2390 1 4 . 1 1 74 74 ARG HA H 74 3.649 3.649 3.792 -0.143 18713 2391 1 4 . 1 1 74 74 ARG C C 74 176.860 176.860 178.152 -1.292 18713 2392 1 4 . 1 1 74 74 ARG CA C 74 59.950 59.950 59.397 0.553 18713 2393 1 4 . 1 1 74 74 ARG CB C 74 30.070 30.070 30.034 0.036 18713 2394 1 4 . 1 1 74 74 ARG H H 74 8.335 8.335 8.107 0.228 18713 2395 1 4 . 1 1 75 75 ALA N N 75 119.490 119.490 120.702 -1.212 18713 2396 1 4 . 1 1 75 75 ALA HA H 75 4.157 4.157 4.163 -0.006 18713 2397 1 4 . 1 1 75 75 ALA C C 75 180.380 180.380 179.429 0.951 18713 2398 1 4 . 1 1 75 75 ALA CA C 75 55.540 55.540 54.677 0.863 18713 2399 1 4 . 1 1 75 75 ALA CB C 75 18.320 18.320 18.667 -0.347 18713 2400 1 4 . 1 1 75 75 ALA H H 75 7.725 7.725 8.258 -0.533 18713 2401 1 4 . 1 1 76 76 VAL N N 76 116.910 116.910 119.603 -2.693 18713 2402 1 4 . 1 1 76 76 VAL HA H 76 4.125 4.125 3.809 0.316 18713 2403 1 4 . 1 1 76 76 VAL C C 76 178.340 178.340 177.218 1.122 18713 2404 1 4 . 1 1 76 76 VAL CA C 76 64.950 64.950 65.770 -0.820 18713 2405 1 4 . 1 1 76 76 VAL CB C 76 31.820 31.820 32.231 -0.411 18713 2406 1 4 . 1 1 76 76 VAL H H 76 7.814 7.814 7.934 -0.120 18713 2407 1 4 . 1 1 77 77 LEU N N 77 121.020 121.020 120.477 0.543 18713 2408 1 4 . 1 1 77 77 LEU HA H 77 4.425 4.425 3.863 0.562 18713 2409 1 4 . 1 1 77 77 LEU C C 77 177.930 177.930 178.326 -0.396 18713 2410 1 4 . 1 1 77 77 LEU CA C 77 57.250 57.250 58.257 -1.007 18713 2411 1 4 . 1 1 77 77 LEU CB C 77 43.010 43.010 41.310 1.700 18713 2412 1 4 . 1 1 77 77 LEU H H 77 8.389 8.389 8.241 0.148 18713 2413 1 4 . 1 1 78 78 LYS N N 78 120.530 120.530 120.136 0.394 18713 2414 1 4 . 1 1 78 78 LYS HA H 78 3.907 3.907 4.093 -0.186 18713 2415 1 4 . 1 1 78 78 LYS C C 78 177.320 177.320 178.666 -1.346 18713 2416 1 4 . 1 1 78 78 LYS CA C 78 61.350 61.350 60.311 1.039 18713 2417 1 4 . 1 1 78 78 LYS CB C 78 32.450 32.450 32.087 0.363 18713 2418 1 4 . 1 1 78 78 LYS H H 78 8.757 8.757 8.103 0.654 18713 2419 1 4 . 1 1 79 79 SER N N 79 113.040 113.040 114.991 -1.951 18713 2420 1 4 . 1 1 79 79 SER HA H 79 4.270 4.270 4.138 0.132 18713 2421 1 4 . 1 1 79 79 SER C C 79 177.320 177.320 176.309 1.011 18713 2422 1 4 . 1 1 79 79 SER CA C 79 62.250 62.250 61.820 0.430 18713 2423 1 4 . 1 1 79 79 SER CB C 79 63.050 63.050 63.035 0.015 18713 2424 1 4 . 1 1 79 79 SER H H 79 8.055 8.055 7.674 0.381 18713 2425 1 4 . 1 1 80 80 PHE N N 80 123.520 123.520 123.124 0.396 18713 2426 1 4 . 1 1 80 80 PHE HA H 80 4.255 4.255 4.203 0.052 18713 2427 1 4 . 1 1 80 80 PHE C C 80 176.480 176.480 177.025 -0.545 18713 2428 1 4 . 1 1 80 80 PHE CA C 80 60.650 60.650 61.293 -0.643 18713 2429 1 4 . 1 1 80 80 PHE CB C 80 39.450 39.450 38.981 0.469 18713 2430 1 4 . 1 1 80 80 PHE H H 80 7.734 7.734 8.066 -0.332 18713 2431 1 4 . 1 1 81 81 LEU N N 81 119.370 119.370 119.393 -0.023 18713 2432 1 4 . 1 1 81 81 LEU HA H 81 3.558 3.558 3.457 0.101 18713 2433 1 4 . 1 1 81 81 LEU C C 81 178.280 178.280 179.164 -0.884 18713 2434 1 4 . 1 1 81 81 LEU CA C 81 57.650 57.650 58.245 -0.595 18713 2435 1 4 . 1 1 81 81 LEU CB C 81 42.750 42.750 41.589 1.161 18713 2436 1 4 . 1 1 81 81 LEU H H 81 8.693 8.693 8.995 -0.302 18713 2437 1 4 . 1 1 82 82 GLU N N 82 118.350 118.350 118.912 -0.562 18713 2438 1 4 . 1 1 82 82 GLU HA H 82 3.785 3.785 3.898 -0.113 18713 2439 1 4 . 1 1 82 82 GLU C C 82 177.870 177.870 179.421 -1.551 18713 2440 1 4 . 1 1 82 82 GLU CA C 82 60.550 60.550 59.506 1.044 18713 2441 1 4 . 1 1 82 82 GLU CB C 82 29.280 29.280 28.997 0.283 18713 2442 1 4 . 1 1 82 82 GLU H H 82 8.869 8.869 8.729 0.140 18713 2443 1 4 . 1 1 83 83 SER N N 83 113.610 113.610 115.314 -1.704 18713 2444 1 4 . 1 1 83 83 SER HA H 83 4.165 4.165 4.162 0.003 18713 2445 1 4 . 1 1 83 83 SER C C 83 177.830 177.830 176.804 1.026 18713 2446 1 4 . 1 1 83 83 SER CA C 83 61.150 61.150 62.059 -0.909 18713 2447 1 4 . 1 1 83 83 SER CB C 83 62.750 62.750 62.980 -0.230 18713 2448 1 4 . 1 1 83 83 SER H H 83 7.474 7.474 8.241 -0.767 18713 2449 1 4 . 1 1 84 84 VAL N N 84 121.040 121.040 122.763 -1.723 18713 2450 1 4 . 1 1 84 84 VAL HA H 84 3.660 3.660 3.477 0.183 18713 2451 1 4 . 1 1 84 84 VAL C C 84 179.270 179.270 177.905 1.365 18713 2452 1 4 . 1 1 84 84 VAL CA C 84 65.750 65.750 66.776 -1.026 18713 2453 1 4 . 1 1 84 84 VAL CB C 84 32.030 32.030 31.252 0.778 18713 2454 1 4 . 1 1 84 84 VAL H H 84 7.668 7.668 8.021 -0.353 18713 2455 1 4 . 1 1 85 85 ILE N N 85 123.350 123.350 119.578 3.772 18713 2456 1 4 . 1 1 85 85 ILE HA H 85 3.537 3.537 3.525 0.012 18713 2457 1 4 . 1 1 85 85 ILE C C 85 176.550 176.550 177.938 -1.388 18713 2458 1 4 . 1 1 85 85 ILE CA C 85 66.710 66.710 65.527 1.183 18713 2459 1 4 . 1 1 85 85 ILE CB C 85 36.210 36.210 37.472 -1.262 18713 2460 1 4 . 1 1 85 85 ILE H H 85 9.086 9.086 7.889 1.197 18713 2461 1 4 . 1 1 86 86 ARG N N 86 120.150 120.150 119.488 0.662 18713 2462 1 4 . 1 1 86 86 ARG HA H 86 3.802 3.802 3.913 -0.111 18713 2463 1 4 . 1 1 86 86 ARG C C 86 178.920 178.920 178.654 0.266 18713 2464 1 4 . 1 1 86 86 ARG CA C 86 59.980 59.980 60.049 -0.069 18713 2465 1 4 . 1 1 86 86 ARG CB C 86 29.650 29.650 30.038 -0.388 18713 2466 1 4 . 1 1 86 86 ARG H H 86 8.125 8.125 7.620 0.505 18713 2467 1 4 . 1 1 87 87 ASP N N 87 118.810 118.810 118.447 0.363 18713 2468 1 4 . 1 1 87 87 ASP HA H 87 4.537 4.537 4.517 0.020 18713 2469 1 4 . 1 1 87 87 ASP C C 87 178.050 178.050 178.714 -0.664 18713 2470 1 4 . 1 1 87 87 ASP CA C 87 57.140 57.140 56.833 0.307 18713 2471 1 4 . 1 1 87 87 ASP CB C 87 40.520 40.520 40.270 0.250 18713 2472 1 4 . 1 1 87 87 ASP H H 87 7.668 7.668 8.298 -0.630 18713 2473 1 4 . 1 1 88 88 SER N N 88 119.350 119.350 116.258 3.092 18713 2474 1 4 . 1 1 88 88 SER HA H 88 4.166 4.166 4.708 -0.542 18713 2475 1 4 . 1 1 88 88 SER C C 88 175.350 175.350 176.194 -0.844 18713 2476 1 4 . 1 1 88 88 SER CA C 88 57.170 57.170 61.106 -3.936 18713 2477 1 4 . 1 1 88 88 SER CB C 88 64.050 64.050 63.088 0.962 18713 2478 1 4 . 1 1 88 88 SER H H 88 8.506 8.506 8.307 0.199 18713 2479 1 4 . 1 1 89 89 VAL N N 89 121.240 121.240 122.518 -1.278 18713 2480 1 4 . 1 1 89 89 VAL HA H 89 3.611 3.611 4.103 -0.492 18713 2481 1 4 . 1 1 89 89 VAL C C 89 177.440 177.440 177.613 -0.173 18713 2482 1 4 . 1 1 89 89 VAL CA C 89 65.990 65.990 65.044 0.945 18713 2483 1 4 . 1 1 89 89 VAL CB C 89 31.240 31.240 31.119 0.121 18713 2484 1 4 . 1 1 89 89 VAL H H 89 8.505 8.505 8.619 -0.114 18713 2485 1 4 . 1 1 90 90 THR N N 90 117.040 117.040 117.787 -0.747 18713 2486 1 4 . 1 1 90 90 THR HA H 90 4.013 4.013 3.952 0.061 18713 2487 1 4 . 1 1 90 90 THR C C 90 177.410 177.410 176.922 0.488 18713 2488 1 4 . 1 1 90 90 THR CA C 90 66.550 66.550 67.601 -1.051 18713 2489 1 4 . 1 1 90 90 THR CB C 90 68.220 68.220 68.464 -0.244 18713 2490 1 4 . 1 1 90 90 THR H H 90 8.016 8.016 7.605 0.411 18713 2491 1 4 . 1 1 91 91 TYR N N 91 122.770 122.770 120.186 2.584 18713 2492 1 4 . 1 1 91 91 TYR HA H 91 4.162 4.162 4.398 -0.236 18713 2493 1 4 . 1 1 91 91 TYR C C 91 178.180 178.180 178.463 -0.283 18713 2494 1 4 . 1 1 91 91 TYR CA C 91 62.470 62.470 61.405 1.065 18713 2495 1 4 . 1 1 91 91 TYR CB C 91 38.030 38.030 37.844 0.186 18713 2496 1 4 . 1 1 91 91 TYR H H 91 7.822 7.822 7.852 -0.030 18713 2497 1 4 . 1 1 92 92 THR N N 92 119.350 119.350 113.560 5.790 18713 2498 1 4 . 1 1 92 92 THR HA H 92 3.678 3.678 4.098 -0.420 18713 2499 1 4 . 1 1 92 92 THR C C 92 175.880 175.880 177.388 -1.508 18713 2500 1 4 . 1 1 92 92 THR CA C 92 67.390 67.390 66.053 1.337 18713 2501 1 4 . 1 1 92 92 THR CB C 92 69.190 69.190 68.401 0.789 18713 2502 1 4 . 1 1 92 92 THR H H 92 8.160 8.160 8.504 -0.344 18713 2503 1 4 . 1 1 93 93 GLU N N 93 118.840 118.840 122.392 -3.552 18713 2504 1 4 . 1 1 93 93 GLU HA H 93 4.238 4.238 4.088 0.150 18713 2505 1 4 . 1 1 93 93 GLU C C 93 181.340 181.340 179.321 2.019 18713 2506 1 4 . 1 1 93 93 GLU CA C 93 58.290 58.290 59.444 -1.154 18713 2507 1 4 . 1 1 93 93 GLU CB C 93 28.890 28.890 28.883 0.007 18713 2508 1 4 . 1 1 93 93 GLU H H 93 8.514 8.514 8.979 -0.465 18713 2509 1 4 . 1 1 94 94 HIS N N 94 120.870 120.870 120.070 0.800 18713 2510 1 4 . 1 1 94 94 HIS HA H 94 4.465 4.465 4.318 0.147 18713 2511 1 4 . 1 1 94 94 HIS C C 94 175.390 175.390 175.491 -0.101 18713 2512 1 4 . 1 1 94 94 HIS CA C 94 58.250 58.250 58.655 -0.405 18713 2513 1 4 . 1 1 94 94 HIS CB C 94 28.110 28.110 29.845 -1.735 18713 2514 1 4 . 1 1 94 94 HIS H H 94 8.531 8.531 8.206 0.325 18713 2515 1 4 . 1 1 95 95 ALA N N 95 121.010 121.010 120.227 0.783 18713 2516 1 4 . 1 1 95 95 ALA HA H 95 4.335 4.335 4.450 -0.115 18713 2517 1 4 . 1 1 95 95 ALA C C 95 175.380 175.380 175.618 -0.238 18713 2518 1 4 . 1 1 95 95 ALA CA C 95 51.750 51.750 51.168 0.582 18713 2519 1 4 . 1 1 95 95 ALA CB C 95 18.710 18.710 19.143 -0.433 18713 2520 1 4 . 1 1 95 95 ALA H H 95 7.525 7.525 7.738 -0.213 18713 2521 1 4 . 1 1 96 96 LYS N N 96 115.990 115.990 114.941 1.049 18713 2522 1 4 . 1 1 96 96 LYS HA H 96 3.955 3.955 3.893 0.062 18713 2523 1 4 . 1 1 96 96 LYS C C 96 175.020 175.020 176.084 -1.064 18713 2524 1 4 . 1 1 96 96 LYS CA C 96 56.590 56.590 57.325 -0.736 18713 2525 1 4 . 1 1 96 96 LYS CB C 96 28.650 28.650 29.711 -1.061 18713 2526 1 4 . 1 1 96 96 LYS H H 96 8.232 8.232 7.776 0.456 18713 2527 1 4 . 1 1 97 97 ARG N N 97 116.850 116.850 119.490 -2.640 18713 2528 1 4 . 1 1 97 97 ARG HA H 97 4.651 4.651 4.514 0.137 18713 2529 1 4 . 1 1 97 97 ARG C C 97 175.250 175.250 174.742 0.508 18713 2530 1 4 . 1 1 97 97 ARG CA C 97 55.010 55.010 54.139 0.871 18713 2531 1 4 . 1 1 97 97 ARG CB C 97 35.170 35.170 33.554 1.616 18713 2532 1 4 . 1 1 97 97 ARG H H 97 7.685 7.685 8.522 -0.837 18713 2533 1 4 . 1 1 98 98 LYS N N 98 115.990 115.990 121.050 -5.060 18713 2534 1 4 . 1 1 98 98 LYS HA H 98 4.409 4.409 4.564 -0.155 18713 2535 1 4 . 1 1 98 98 LYS C C 98 174.320 174.320 174.832 -0.512 18713 2536 1 4 . 1 1 98 98 LYS CA C 98 54.500 54.500 55.415 -0.915 18713 2537 1 4 . 1 1 98 98 LYS CB C 98 33.590 33.590 32.121 1.469 18713 2538 1 4 . 1 1 98 98 LYS H H 98 8.232 8.232 8.417 -0.185 18713 2539 1 4 . 1 1 99 99 THR N N 99 114.310 114.310 114.405 -0.095 18713 2540 1 4 . 1 1 99 99 THR HA H 99 4.769 4.769 4.679 0.090 18713 2541 1 4 . 1 1 99 99 THR C C 99 172.170 172.170 172.755 -0.585 18713 2542 1 4 . 1 1 99 99 THR CA C 99 60.510 60.510 61.278 -0.768 18713 2543 1 4 . 1 1 99 99 THR CB C 99 70.180 70.180 72.232 -2.052 18713 2544 1 4 . 1 1 99 99 THR H H 99 6.768 6.768 7.927 -1.159 18713 2545 1 4 . 1 1 100 100 VAL N N 100 128.820 128.820 124.958 3.862 18713 2546 1 4 . 1 1 100 100 VAL HA H 100 3.987 3.987 4.209 -0.222 18713 2547 1 4 . 1 1 100 100 VAL C C 100 175.690 175.690 175.047 0.643 18713 2548 1 4 . 1 1 100 100 VAL CA C 100 61.950 61.950 59.657 2.293 18713 2549 1 4 . 1 1 100 100 VAL CB C 100 32.290 32.290 32.047 0.243 18713 2550 1 4 . 1 1 100 100 VAL H H 100 8.690 8.690 9.108 -0.418 18713 2551 1 4 . 1 1 101 101 THR N N 101 118.310 118.310 115.889 2.421 18713 2552 1 4 . 1 1 101 101 THR HA H 101 4.798 4.798 4.682 0.116 18713 2553 1 4 . 1 1 101 101 THR C C 101 176.460 176.460 175.055 1.405 18713 2554 1 4 . 1 1 101 101 THR CA C 101 59.990 59.990 59.740 0.250 18713 2555 1 4 . 1 1 101 101 THR CB C 101 72.550 72.550 71.788 0.762 18713 2556 1 4 . 1 1 101 101 THR H H 101 9.263 9.263 8.230 1.033 18713 2557 1 4 . 1 1 102 102 SER N N 102 115.810 115.810 118.420 -2.610 18713 2558 1 4 . 1 1 102 102 SER HA H 102 3.913 3.913 4.125 -0.212 18713 2559 1 4 . 1 1 102 102 SER C C 102 175.210 175.210 175.830 -0.620 18713 2560 1 4 . 1 1 102 102 SER CA C 102 61.850 61.850 61.026 0.824 18713 2561 1 4 . 1 1 102 102 SER CB C 102 61.850 61.850 62.743 -0.893 18713 2562 1 4 . 1 1 102 102 SER H H 102 9.148 9.148 8.805 0.343 18713 2563 1 4 . 1 1 103 103 LEU N N 103 121.540 121.540 122.334 -0.794 18713 2564 1 4 . 1 1 103 103 LEU HA H 103 3.965 3.965 3.722 0.243 18713 2565 1 4 . 1 1 103 103 LEU C C 103 177.780 177.780 177.705 0.075 18713 2566 1 4 . 1 1 103 103 LEU CA C 103 57.630 57.630 57.976 -0.346 18713 2567 1 4 . 1 1 103 103 LEU CB C 103 41.430 41.430 41.318 0.112 18713 2568 1 4 . 1 1 103 103 LEU H H 103 7.389 7.389 7.557 -0.168 18713 2569 1 4 . 1 1 104 104 ASP N N 104 120.260 120.260 118.672 1.588 18713 2570 1 4 . 1 1 104 104 ASP HA H 104 4.240 4.240 3.984 0.256 18713 2571 1 4 . 1 1 104 104 ASP C C 104 177.230 177.230 178.401 -1.171 18713 2572 1 4 . 1 1 104 104 ASP CA C 104 58.140 58.140 56.757 1.383 18713 2573 1 4 . 1 1 104 104 ASP CB C 104 41.050 41.050 40.444 0.606 18713 2574 1 4 . 1 1 104 104 ASP H H 104 7.240 7.240 7.445 -0.205 18713 2575 1 4 . 1 1 105 105 VAL N N 105 118.230 118.230 119.852 -1.622 18713 2576 1 4 . 1 1 105 105 VAL HA H 105 4.025 4.025 3.640 0.385 18713 2577 1 4 . 1 1 105 105 VAL C C 105 177.550 177.550 177.795 -0.245 18713 2578 1 4 . 1 1 105 105 VAL CA C 105 65.270 65.270 66.617 -1.347 18713 2579 1 4 . 1 1 105 105 VAL CB C 105 31.570 31.570 31.454 0.115 18713 2580 1 4 . 1 1 105 105 VAL H H 105 7.150 7.150 7.539 -0.389 18713 2581 1 4 . 1 1 106 106 VAL N N 106 120.450 120.450 120.676 -0.226 18713 2582 1 4 . 1 1 106 106 VAL HA H 106 3.512 3.512 3.646 -0.134 18713 2583 1 4 . 1 1 106 106 VAL C C 106 178.520 178.520 178.543 -0.023 18713 2584 1 4 . 1 1 106 106 VAL CA C 106 67.440 67.440 66.958 0.482 18713 2585 1 4 . 1 1 106 106 VAL CB C 106 31.770 31.770 31.058 0.712 18713 2586 1 4 . 1 1 106 106 VAL H H 106 8.380 8.380 7.827 0.553 18713 2587 1 4 . 1 1 107 107 TYR N N 107 120.160 120.160 119.011 1.149 18713 2588 1 4 . 1 1 107 107 TYR HA H 107 4.113 4.113 4.118 -0.005 18713 2589 1 4 . 1 1 107 107 TYR C C 107 177.950 177.950 177.982 -0.032 18713 2590 1 4 . 1 1 107 107 TYR CA C 107 60.150 60.150 59.265 0.885 18713 2591 1 4 . 1 1 107 107 TYR CB C 107 36.210 36.210 36.041 0.169 18713 2592 1 4 . 1 1 107 107 TYR H H 107 8.246 8.246 8.097 0.149 18713 2593 1 4 . 1 1 108 108 ALA N N 108 123.660 123.660 122.329 1.331 18713 2594 1 4 . 1 1 108 108 ALA HA H 108 4.018 4.018 4.212 -0.194 18713 2595 1 4 . 1 1 108 108 ALA C C 108 180.350 180.350 180.002 0.348 18713 2596 1 4 . 1 1 108 108 ALA CA C 108 55.670 55.670 55.098 0.572 18713 2597 1 4 . 1 1 108 108 ALA CB C 108 20.650 20.650 18.232 2.418 18713 2598 1 4 . 1 1 108 108 ALA H H 108 7.912 7.912 8.415 -0.503 18713 2599 1 4 . 1 1 109 109 LEU N N 109 119.820 119.820 118.778 1.042 18713 2600 1 4 . 1 1 109 109 LEU HA H 109 3.887 3.887 4.073 -0.186 18713 2601 1 4 . 1 1 109 109 LEU C C 109 179.290 179.290 178.926 0.364 18713 2602 1 4 . 1 1 109 109 LEU CA C 109 57.870 57.870 57.396 0.474 18713 2603 1 4 . 1 1 109 109 LEU CB C 109 41.430 41.430 41.987 -0.557 18713 2604 1 4 . 1 1 109 109 LEU H H 109 8.727 8.727 8.373 0.354 18713 2605 1 4 . 1 1 110 110 LYS N N 110 120.420 120.420 119.976 0.444 18713 2606 1 4 . 1 1 110 110 LYS HA H 110 4.158 4.158 4.316 -0.158 18713 2607 1 4 . 1 1 110 110 LYS C C 110 179.470 179.470 179.740 -0.270 18713 2608 1 4 . 1 1 110 110 LYS CA C 110 58.850 58.850 59.377 -0.527 18713 2609 1 4 . 1 1 110 110 LYS CB C 110 32.050 32.050 32.507 -0.457 18713 2610 1 4 . 1 1 110 110 LYS H H 110 8.180 8.180 8.305 -0.125 18713 2611 1 4 . 1 1 111 111 ARG N N 111 119.820 119.820 116.652 3.168 18713 2612 1 4 . 1 1 111 111 ARG HA H 111 4.142 4.142 4.273 -0.131 18713 2613 1 4 . 1 1 111 111 ARG C C 111 177.240 177.240 178.250 -1.010 18713 2614 1 4 . 1 1 111 111 ARG CA C 111 58.150 58.150 58.156 -0.006 18713 2615 1 4 . 1 1 111 111 ARG CB C 111 29.810 29.810 29.855 -0.045 18713 2616 1 4 . 1 1 111 111 ARG H H 111 7.765 7.765 7.842 -0.077 18713 2617 1 4 . 1 1 112 112 GLN N N 112 116.120 116.120 119.012 -2.892 18713 2618 1 4 . 1 1 112 112 GLN HA H 112 4.435 4.435 4.307 0.128 18713 2619 1 4 . 1 1 112 112 GLN C C 112 176.060 176.060 176.152 -0.092 18713 2620 1 4 . 1 1 112 112 GLN CA C 112 55.550 55.550 56.103 -0.553 18713 2621 1 4 . 1 1 112 112 GLN CB C 112 28.760 28.760 29.381 -0.621 18713 2622 1 4 . 1 1 112 112 GLN H H 112 7.856 7.856 7.690 0.166 18713 2623 1 4 . 1 1 113 113 GLY N N 113 108.070 108.070 107.501 0.569 18713 2624 1 4 . 1 1 113 113 GLY C C 113 174.240 174.240 173.757 0.483 18713 2625 1 4 . 1 1 113 113 GLY CA C 113 45.953 45.953 44.598 1.355 18713 2626 1 4 . 1 1 113 113 GLY H H 113 8.048 8.048 7.687 0.361 18713 2627 1 4 . 1 1 114 114 ARG N N 114 119.710 119.710 120.445 -0.735 18713 2628 1 4 . 1 1 114 114 ARG HA H 114 4.565 4.565 4.738 -0.173 18713 2629 1 4 . 1 1 114 114 ARG C C 114 175.490 175.490 175.339 0.151 18713 2630 1 4 . 1 1 114 114 ARG CA C 114 57.950 57.950 54.152 3.798 18713 2631 1 4 . 1 1 114 114 ARG CB C 114 31.510 31.510 32.972 -1.462 18713 2632 1 4 . 1 1 114 114 ARG H H 114 8.116 8.116 7.695 0.421 18713 2633 1 4 . 1 1 115 115 THR N N 115 114.890 114.890 114.756 0.134 18713 2634 1 4 . 1 1 115 115 THR HA H 115 4.262 4.262 4.531 -0.269 18713 2635 1 4 . 1 1 115 115 THR C C 115 173.460 173.460 174.075 -0.615 18713 2636 1 4 . 1 1 115 115 THR CA C 115 61.820 61.820 61.421 0.399 18713 2637 1 4 . 1 1 115 115 THR CB C 115 70.050 70.050 69.506 0.544 18713 2638 1 4 . 1 1 115 115 THR H H 115 8.143 8.143 8.417 -0.274 18713 2639 1 4 . 1 1 116 116 LEU N N 116 124.070 124.070 126.580 -2.510 18713 2640 1 4 . 1 1 116 116 LEU HA H 116 4.425 4.425 4.762 -0.337 18713 2641 1 4 . 1 1 116 116 LEU C C 116 175.830 175.830 177.006 -1.176 18713 2642 1 4 . 1 1 116 116 LEU CA C 116 54.760 54.760 54.600 0.160 18713 2643 1 4 . 1 1 116 116 LEU CB C 116 43.280 43.280 42.185 1.095 18713 2644 1 4 . 1 1 116 116 LEU H H 116 8.143 8.143 8.507 -0.364 18713 2645 1 4 . 1 1 117 117 TYR N N 117 121.630 121.630 127.853 -6.223 18713 2646 1 4 . 1 1 117 117 TYR HA H 117 4.550 4.550 4.484 0.066 18713 2647 1 4 . 1 1 117 117 TYR C C 117 175.830 175.830 175.970 -0.140 18713 2648 1 4 . 1 1 117 117 TYR CA C 117 58.140 58.140 57.631 0.509 18713 2649 1 4 . 1 1 117 117 TYR CB C 117 38.850 38.850 37.475 1.375 18713 2650 1 4 . 1 1 117 117 TYR H H 117 8.213 8.213 9.310 -1.097 18713 2651 1 4 . 1 1 118 118 GLY N N 118 110.050 110.050 108.517 1.533 18713 2652 1 4 . 1 1 118 118 GLY C C 118 173.660 173.660 174.549 -0.889 18713 2653 1 4 . 1 1 118 118 GLY CA C 118 45.470 45.470 45.715 -0.244 18713 2654 1 4 . 1 1 118 118 GLY H H 118 8.275 8.275 7.700 0.575 18713 2655 1 4 . 1 1 119 119 PHE N N 119 119.610 119.610 120.249 -0.639 18713 2656 1 4 . 1 1 119 119 PHE HA H 119 4.612 4.612 4.445 0.167 18713 2657 1 4 . 1 1 119 119 PHE C C 119 175.280 175.280 177.398 -2.118 18713 2658 1 4 . 1 1 119 119 PHE CA C 119 58.060 58.060 59.133 -1.073 18713 2659 1 4 . 1 1 119 119 PHE CB C 119 40.050 40.050 38.584 1.466 18713 2660 1 4 . 1 1 119 119 PHE H H 119 8.033 8.033 7.867 0.166 18713 2661 1 4 . 1 1 120 120 GLY N N 120 110.930 110.930 107.085 3.845 18713 2662 1 4 . 1 1 120 120 GLY C C 120 173.050 173.050 174.309 -1.259 18713 2663 1 4 . 1 1 120 120 GLY CA C 120 45.650 45.650 44.789 0.861 18713 2664 1 4 . 1 1 120 120 GLY H H 120 8.334 8.334 8.424 -0.090 18713 2665 1 5 . 1 1 2 2 ILE HA H 2 4.175 4.175 4.031 0.144 18713 2666 1 5 . 1 1 2 2 ILE CA C 2 61.880 61.880 62.741 -0.861 18713 2667 1 5 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.849 -0.079 18713 2668 1 5 . 1 1 3 3 SER N N 3 116.020 116.020 113.674 2.346 18713 2669 1 5 . 1 1 3 3 SER HA H 3 4.435 4.435 4.198 0.237 18713 2670 1 5 . 1 1 3 3 SER CA C 3 59.590 59.590 60.224 -0.633 18713 2671 1 5 . 1 1 3 3 SER CB C 3 63.640 63.640 62.904 0.736 18713 2672 1 5 . 1 1 3 3 SER H H 3 7.913 7.913 8.178 -0.265 18713 2673 1 5 . 1 1 4 4 LYS N N 4 120.030 120.030 119.288 0.742 18713 2674 1 5 . 1 1 4 4 LYS HA H 4 4.380 4.380 3.963 0.417 18713 2675 1 5 . 1 1 4 4 LYS CA C 4 56.150 56.150 58.617 -2.467 18713 2676 1 5 . 1 1 4 4 LYS CB C 4 32.850 32.850 31.325 1.525 18713 2677 1 5 . 1 1 4 4 LYS H H 4 7.979 7.979 7.663 0.316 18713 2678 1 5 . 1 1 7 7 PHE HA H 7 4.023 4.023 4.311 -0.288 18713 2679 1 5 . 1 1 7 7 PHE C C 7 176.700 176.700 177.080 -0.380 18713 2680 1 5 . 1 1 7 7 PHE CA C 7 63.150 63.150 60.626 2.524 18713 2681 1 5 . 1 1 7 7 PHE CB C 7 39.880 39.880 38.246 1.634 18713 2682 1 5 . 1 1 8 8 ALA N N 8 121.230 121.230 121.849 -0.619 18713 2683 1 5 . 1 1 8 8 ALA HA H 8 3.920 3.920 4.094 -0.174 18713 2684 1 5 . 1 1 8 8 ALA C C 8 178.010 178.010 179.622 -1.612 18713 2685 1 5 . 1 1 8 8 ALA CA C 8 55.630 55.630 55.290 0.340 18713 2686 1 5 . 1 1 8 8 ALA CB C 8 17.750 17.750 18.258 -0.508 18713 2687 1 5 . 1 1 8 8 ALA H H 8 8.715 8.715 8.764 -0.049 18713 2688 1 5 . 1 1 9 9 ARG N N 9 118.910 118.910 117.906 1.004 18713 2689 1 5 . 1 1 9 9 ARG HA H 9 4.081 4.081 4.007 0.074 18713 2690 1 5 . 1 1 9 9 ARG C C 9 177.790 177.790 178.835 -1.045 18713 2691 1 5 . 1 1 9 9 ARG CA C 9 58.700 58.700 58.930 -0.230 18713 2692 1 5 . 1 1 9 9 ARG CB C 9 30.120 30.120 29.903 0.217 18713 2693 1 5 . 1 1 9 9 ARG H H 9 7.618 7.618 7.627 -0.009 18713 2694 1 5 . 1 1 10 10 LEU N N 10 120.830 120.830 120.318 0.512 18713 2695 1 5 . 1 1 10 10 LEU HA H 10 4.233 4.233 3.955 0.278 18713 2696 1 5 . 1 1 10 10 LEU C C 10 177.780 177.780 178.877 -1.097 18713 2697 1 5 . 1 1 10 10 LEU CA C 10 57.680 57.680 57.837 -0.157 18713 2698 1 5 . 1 1 10 10 LEU CB C 10 41.680 41.680 41.587 0.093 18713 2699 1 5 . 1 1 10 10 LEU H H 10 7.752 7.752 7.678 0.074 18713 2700 1 5 . 1 1 11 11 VAL N N 11 117.150 117.150 119.695 -2.545 18713 2701 1 5 . 1 1 11 11 VAL HA H 11 3.425 3.425 3.582 -0.157 18713 2702 1 5 . 1 1 11 11 VAL C C 11 177.830 177.830 177.937 -0.107 18713 2703 1 5 . 1 1 11 11 VAL CA C 11 66.930 66.930 67.280 -0.350 18713 2704 1 5 . 1 1 11 11 VAL CB C 11 31.520 31.520 31.410 0.111 18713 2705 1 5 . 1 1 11 11 VAL H H 11 8.180 8.180 8.387 -0.207 18713 2706 1 5 . 1 1 12 12 LYS N N 12 121.880 121.880 119.758 2.122 18713 2707 1 5 . 1 1 12 12 LYS HA H 12 3.998 3.998 3.962 0.036 18713 2708 1 5 . 1 1 12 12 LYS C C 12 176.790 176.790 178.991 -2.201 18713 2709 1 5 . 1 1 12 12 LYS CA C 12 58.950 58.950 60.115 -1.165 18713 2710 1 5 . 1 1 12 12 LYS CB C 12 32.120 32.120 32.014 0.106 18713 2711 1 5 . 1 1 12 12 LYS H H 12 7.668 7.668 8.474 -0.806 18713 2712 1 5 . 1 1 13 13 GLU N N 13 118.250 118.250 119.543 -1.293 18713 2713 1 5 . 1 1 13 13 GLU HA H 13 4.085 4.085 3.935 0.150 18713 2714 1 5 . 1 1 13 13 GLU C C 13 179.280 179.280 178.991 0.289 18713 2715 1 5 . 1 1 13 13 GLU CA C 13 59.650 59.650 59.398 0.252 18713 2716 1 5 . 1 1 13 13 GLU CB C 13 29.770 29.770 29.556 0.214 18713 2717 1 5 . 1 1 13 13 GLU H H 13 8.149 8.149 8.047 0.102 18713 2718 1 5 . 1 1 14 14 VAL N N 14 117.450 117.450 120.010 -2.560 18713 2719 1 5 . 1 1 14 14 VAL HA H 14 4.007 4.007 3.374 0.633 18713 2720 1 5 . 1 1 14 14 VAL C C 14 178.350 178.350 177.693 0.657 18713 2721 1 5 . 1 1 14 14 VAL CA C 14 66.220 66.220 66.348 -0.128 18713 2722 1 5 . 1 1 14 14 VAL CB C 14 31.250 31.250 31.555 -0.305 18713 2723 1 5 . 1 1 14 14 VAL H H 14 7.974 7.974 8.244 -0.270 18713 2724 1 5 . 1 1 15 15 THR N N 15 113.780 113.780 116.200 -2.420 18713 2725 1 5 . 1 1 15 15 THR HA H 15 3.771 3.771 3.637 0.134 18713 2726 1 5 . 1 1 15 15 THR C C 15 178.190 178.190 176.329 1.861 18713 2727 1 5 . 1 1 15 15 THR CA C 15 66.990 66.990 67.013 -0.023 18713 2728 1 5 . 1 1 15 15 THR CB C 15 68.590 68.590 68.199 0.391 18713 2729 1 5 . 1 1 15 15 THR H H 15 8.569 8.569 8.066 0.503 18713 2730 1 5 . 1 1 16 16 ASP N N 16 123.420 123.420 121.614 1.806 18713 2731 1 5 . 1 1 16 16 ASP HA H 16 4.545 4.545 4.339 0.206 18713 2732 1 5 . 1 1 16 16 ASP C C 16 178.450 178.450 178.007 0.443 18713 2733 1 5 . 1 1 16 16 ASP CA C 16 57.410 57.410 57.171 0.239 18713 2734 1 5 . 1 1 16 16 ASP CB C 16 39.880 39.880 39.875 0.005 18713 2735 1 5 . 1 1 16 16 ASP H H 16 8.664 8.664 8.250 0.414 18713 2736 1 5 . 1 1 17 17 GLU N N 17 120.180 120.180 118.141 2.039 18713 2737 1 5 . 1 1 17 17 GLU HA H 17 4.089 4.089 4.075 0.014 18713 2738 1 5 . 1 1 17 17 GLU C C 17 178.220 178.220 179.718 -1.498 18713 2739 1 5 . 1 1 17 17 GLU CA C 17 59.050 59.050 58.904 0.145 18713 2740 1 5 . 1 1 17 17 GLU CB C 17 28.850 28.850 29.422 -0.572 18713 2741 1 5 . 1 1 17 17 GLU H H 17 7.705 7.705 7.480 0.225 18713 2742 1 5 . 1 1 18 18 PHE N N 18 117.450 117.450 118.167 -0.717 18713 2743 1 5 . 1 1 18 18 PHE HA H 18 4.396 4.396 4.495 -0.099 18713 2744 1 5 . 1 1 18 18 PHE C C 18 177.130 177.130 177.973 -0.843 18713 2745 1 5 . 1 1 18 18 PHE CA C 18 60.720 60.720 58.178 2.542 18713 2746 1 5 . 1 1 18 18 PHE CB C 18 39.880 39.880 38.208 1.672 18713 2747 1 5 . 1 1 18 18 PHE H H 18 7.911 7.911 7.456 0.455 18713 2748 1 5 . 1 1 19 19 THR N N 19 115.450 115.450 113.426 2.024 18713 2749 1 5 . 1 1 19 19 THR HA H 19 4.510 4.510 4.415 0.095 18713 2750 1 5 . 1 1 19 19 THR C C 19 175.160 175.160 175.015 0.145 18713 2751 1 5 . 1 1 19 19 THR CA C 19 63.880 63.880 63.228 0.652 18713 2752 1 5 . 1 1 19 19 THR CB C 19 69.450 69.450 67.954 1.496 18713 2753 1 5 . 1 1 19 19 THR H H 19 8.270 8.270 8.722 -0.452 18713 2754 1 5 . 1 1 20 20 THR N N 20 114.370 114.370 116.962 -2.592 18713 2755 1 5 . 1 1 20 20 THR HA H 20 4.262 4.262 4.079 0.183 18713 2756 1 5 . 1 1 20 20 THR C C 20 175.280 175.280 175.751 -0.471 18713 2757 1 5 . 1 1 20 20 THR CA C 20 63.850 63.850 64.835 -0.985 18713 2758 1 5 . 1 1 20 20 THR CB C 20 69.250 69.250 68.497 0.753 18713 2759 1 5 . 1 1 20 20 THR H H 20 7.974 7.974 7.446 0.528 18713 2760 1 5 . 1 1 21 21 LYS N N 21 119.710 119.710 120.498 -0.788 18713 2761 1 5 . 1 1 21 21 LYS HA H 21 4.291 4.291 4.249 0.042 18713 2762 1 5 . 1 1 21 21 LYS C C 21 176.070 176.070 176.212 -0.142 18713 2763 1 5 . 1 1 21 21 LYS CA C 21 57.180 57.180 56.785 0.395 18713 2764 1 5 . 1 1 21 21 LYS CB C 21 32.830 32.830 31.501 1.329 18713 2765 1 5 . 1 1 21 21 LYS H H 21 7.519 7.519 7.964 -0.445 18713 2766 1 5 . 1 1 22 22 ASP N N 22 119.020 119.020 121.712 -2.692 18713 2767 1 5 . 1 1 22 22 ASP HA H 22 4.730 4.730 4.628 0.102 18713 2768 1 5 . 1 1 22 22 ASP C C 22 175.080 175.080 176.566 -1.486 18713 2769 1 5 . 1 1 22 22 ASP CA C 22 53.770 53.770 53.467 0.303 18713 2770 1 5 . 1 1 22 22 ASP CB C 22 39.990 39.990 39.237 0.753 18713 2771 1 5 . 1 1 22 22 ASP H H 22 7.841 7.841 7.652 0.189 18713 2772 1 5 . 1 1 23 23 GLN N N 23 120.720 120.720 117.866 2.854 18713 2773 1 5 . 1 1 23 23 GLN HA H 23 4.425 4.425 4.120 0.305 18713 2774 1 5 . 1 1 23 23 GLN C C 23 175.860 175.860 176.460 -0.600 18713 2775 1 5 . 1 1 23 23 GLN CA C 23 57.530 57.530 58.073 -0.543 18713 2776 1 5 . 1 1 23 23 GLN CB C 23 29.050 29.050 28.885 0.165 18713 2777 1 5 . 1 1 23 23 GLN H H 23 8.313 8.313 8.470 -0.157 18713 2778 1 5 . 1 1 24 24 ASP N N 24 119.150 119.150 114.618 4.532 18713 2779 1 5 . 1 1 24 24 ASP HA H 24 4.655 4.655 4.668 -0.013 18713 2780 1 5 . 1 1 24 24 ASP C C 24 174.840 174.840 174.634 0.206 18713 2781 1 5 . 1 1 24 24 ASP CA C 24 54.560 54.560 53.837 0.723 18713 2782 1 5 . 1 1 24 24 ASP CB C 24 41.290 41.290 41.856 -0.566 18713 2783 1 5 . 1 1 24 24 ASP H H 24 8.313 8.313 8.208 0.105 18713 2784 1 5 . 1 1 25 25 LEU N N 25 121.240 121.240 120.688 0.552 18713 2785 1 5 . 1 1 25 25 LEU HA H 25 4.602 4.602 4.233 0.369 18713 2786 1 5 . 1 1 25 25 LEU C C 25 176.550 176.550 176.927 -0.377 18713 2787 1 5 . 1 1 25 25 LEU CA C 25 55.060 55.060 55.510 -0.450 18713 2788 1 5 . 1 1 25 25 LEU CB C 25 43.520 43.520 42.872 0.648 18713 2789 1 5 . 1 1 25 25 LEU H H 25 7.572 7.572 7.714 -0.142 18713 2790 1 5 . 1 1 26 26 ARG N N 26 123.560 123.560 119.813 3.747 18713 2791 1 5 . 1 1 26 26 ARG HA H 26 4.787 4.787 4.673 0.114 18713 2792 1 5 . 1 1 26 26 ARG C C 26 174.040 174.040 174.350 -0.310 18713 2793 1 5 . 1 1 26 26 ARG CA C 26 54.010 54.010 55.051 -1.042 18713 2794 1 5 . 1 1 26 26 ARG CB C 26 33.170 33.170 33.268 -0.098 18713 2795 1 5 . 1 1 26 26 ARG H H 26 8.385 8.385 8.360 0.025 18713 2796 1 5 . 1 1 27 27 TRP N N 27 121.230 121.230 125.921 -4.691 18713 2797 1 5 . 1 1 27 27 TRP HA H 27 4.608 4.608 4.960 -0.352 18713 2798 1 5 . 1 1 27 27 TRP C C 27 176.280 176.280 176.550 -0.270 18713 2799 1 5 . 1 1 27 27 TRP CA C 27 56.110 56.110 56.984 -0.874 18713 2800 1 5 . 1 1 27 27 TRP CB C 27 30.350 30.350 29.681 0.669 18713 2801 1 5 . 1 1 27 27 TRP H H 27 8.824 8.824 8.840 -0.016 18713 2802 1 5 . 1 1 28 28 GLN N N 28 122.270 122.270 124.744 -2.474 18713 2803 1 5 . 1 1 28 28 GLN HA H 28 4.163 4.163 4.643 -0.480 18713 2804 1 5 . 1 1 28 28 GLN C C 28 176.280 176.280 176.894 -0.614 18713 2805 1 5 . 1 1 28 28 GLN CA C 28 56.850 56.850 54.699 2.151 18713 2806 1 5 . 1 1 28 28 GLN CB C 28 32.830 32.830 29.213 3.617 18713 2807 1 5 . 1 1 28 28 GLN H H 28 8.427 8.427 8.206 0.221 18713 2808 1 5 . 1 1 29 29 SER HA H 29 4.276 4.276 4.200 0.076 18713 2809 1 5 . 1 1 29 29 SER CA C 29 63.180 63.180 61.882 1.298 18713 2810 1 5 . 1 1 29 29 SER CB C 29 62.930 62.930 62.936 -0.006 18713 2811 1 5 . 1 1 30 30 MET HA H 30 4.430 4.430 4.268 0.162 18713 2812 1 5 . 1 1 30 30 MET C C 30 178.450 178.450 177.922 0.528 18713 2813 1 5 . 1 1 30 30 MET CA C 30 57.760 57.760 57.445 0.315 18713 2814 1 5 . 1 1 30 30 MET CB C 30 32.120 32.120 31.340 0.780 18713 2815 1 5 . 1 1 31 31 ALA N N 31 122.750 122.750 122.599 0.151 18713 2816 1 5 . 1 1 31 31 ALA HA H 31 4.015 4.015 3.858 0.157 18713 2817 1 5 . 1 1 31 31 ALA C C 31 178.090 178.090 179.742 -1.652 18713 2818 1 5 . 1 1 31 31 ALA CA C 31 55.430 55.430 55.320 0.110 18713 2819 1 5 . 1 1 31 31 ALA CB C 31 18.590 18.590 17.609 0.981 18713 2820 1 5 . 1 1 31 31 ALA H H 31 7.619 7.619 7.611 0.008 18713 2821 1 5 . 1 1 32 32 ILE N N 32 117.950 117.950 117.770 0.180 18713 2822 1 5 . 1 1 32 32 ILE HA H 32 3.691 3.691 3.786 -0.095 18713 2823 1 5 . 1 1 32 32 ILE C C 32 178.410 178.410 177.847 0.563 18713 2824 1 5 . 1 1 32 32 ILE CA C 32 63.290 63.290 64.836 -1.546 18713 2825 1 5 . 1 1 32 32 ILE CB C 32 36.120 36.120 37.870 -1.750 18713 2826 1 5 . 1 1 32 32 ILE H H 32 7.503 7.503 7.249 0.254 18713 2827 1 5 . 1 1 33 33 MET N N 33 118.790 118.790 118.800 -0.010 18713 2828 1 5 . 1 1 33 33 MET HA H 33 4.269 4.269 4.142 0.127 18713 2829 1 5 . 1 1 33 33 MET C C 33 177.970 177.970 178.575 -0.605 18713 2830 1 5 . 1 1 33 33 MET CA C 33 57.670 57.670 57.345 0.325 18713 2831 1 5 . 1 1 33 33 MET CB C 33 32.040 32.040 31.026 1.014 18713 2832 1 5 . 1 1 33 33 MET H H 33 8.034 8.034 7.762 0.272 18713 2833 1 5 . 1 1 34 34 ALA N N 34 122.470 122.470 122.395 0.075 18713 2834 1 5 . 1 1 34 34 ALA HA H 34 3.944 3.944 4.075 -0.131 18713 2835 1 5 . 1 1 34 34 ALA C C 34 179.680 179.680 179.449 0.231 18713 2836 1 5 . 1 1 34 34 ALA CA C 34 55.290 55.290 55.591 -0.301 18713 2837 1 5 . 1 1 34 34 ALA CB C 34 17.050 17.050 18.028 -0.978 18713 2838 1 5 . 1 1 34 34 ALA H H 34 8.007 8.007 8.559 -0.552 18713 2839 1 5 . 1 1 35 35 LEU N N 35 118.310 118.310 118.605 -0.295 18713 2840 1 5 . 1 1 35 35 LEU HA H 35 3.945 3.945 4.008 -0.063 18713 2841 1 5 . 1 1 35 35 LEU C C 35 179.630 179.630 179.222 0.408 18713 2842 1 5 . 1 1 35 35 LEU CA C 35 57.880 57.880 57.854 0.026 18713 2843 1 5 . 1 1 35 35 LEU CB C 35 42.710 42.710 41.580 1.130 18713 2844 1 5 . 1 1 35 35 LEU H H 35 8.003 8.003 7.337 0.666 18713 2845 1 5 . 1 1 36 36 GLN N N 36 122.480 122.480 118.188 4.292 18713 2846 1 5 . 1 1 36 36 GLN HA H 36 3.718 3.718 4.036 -0.318 18713 2847 1 5 . 1 1 36 36 GLN C C 36 177.850 177.850 178.973 -1.123 18713 2848 1 5 . 1 1 36 36 GLN CA C 36 60.150 60.150 58.806 1.344 18713 2849 1 5 . 1 1 36 36 GLN CB C 36 28.150 28.150 28.050 0.100 18713 2850 1 5 . 1 1 36 36 GLN H H 36 8.532 8.532 8.028 0.504 18713 2851 1 5 . 1 1 37 37 GLU N N 37 120.790 120.790 119.624 1.166 18713 2852 1 5 . 1 1 37 37 GLU HA H 37 4.043 4.043 4.109 -0.066 18713 2853 1 5 . 1 1 37 37 GLU C C 37 179.190 179.190 178.873 0.317 18713 2854 1 5 . 1 1 37 37 GLU CA C 37 59.650 59.650 58.891 0.759 18713 2855 1 5 . 1 1 37 37 GLU CB C 37 28.120 28.120 29.292 -1.172 18713 2856 1 5 . 1 1 37 37 GLU H H 37 8.562 8.562 8.431 0.131 18713 2857 1 5 . 1 1 38 38 ALA N N 38 121.430 121.430 122.992 -1.562 18713 2858 1 5 . 1 1 38 38 ALA HA H 38 4.228 4.228 3.918 0.310 18713 2859 1 5 . 1 1 38 38 ALA C C 38 179.740 179.740 179.624 0.116 18713 2860 1 5 . 1 1 38 38 ALA CA C 38 54.550 54.550 55.582 -1.032 18713 2861 1 5 . 1 1 38 38 ALA CB C 38 19.050 19.050 18.236 0.814 18713 2862 1 5 . 1 1 38 38 ALA H H 38 8.626 8.626 8.583 0.043 18713 2863 1 5 . 1 1 39 39 SER N N 39 115.350 115.350 114.262 1.088 18713 2864 1 5 . 1 1 39 39 SER HA H 39 4.159 4.159 4.254 -0.095 18713 2865 1 5 . 1 1 39 39 SER C C 39 174.490 174.490 176.963 -2.473 18713 2866 1 5 . 1 1 39 39 SER CA C 39 62.550 62.550 61.419 1.131 18713 2867 1 5 . 1 1 39 39 SER CB C 39 64.580 64.580 63.106 1.474 18713 2868 1 5 . 1 1 39 39 SER H H 39 8.160 8.160 8.188 -0.028 18713 2869 1 5 . 1 1 40 40 GLU N N 40 123.380 123.380 121.444 1.936 18713 2870 1 5 . 1 1 40 40 GLU HA H 40 3.545 3.545 4.180 -0.635 18713 2871 1 5 . 1 1 40 40 GLU C C 40 177.080 177.080 178.593 -1.513 18713 2872 1 5 . 1 1 40 40 GLU CA C 40 59.890 59.890 58.959 0.931 18713 2873 1 5 . 1 1 40 40 GLU CB C 40 28.150 28.150 28.868 -0.718 18713 2874 1 5 . 1 1 40 40 GLU H H 40 7.632 7.632 8.095 -0.463 18713 2875 1 5 . 1 1 41 41 ALA N N 41 120.090 120.090 122.702 -2.612 18713 2876 1 5 . 1 1 41 41 ALA HA H 41 4.007 4.007 4.082 -0.075 18713 2877 1 5 . 1 1 41 41 ALA C C 41 180.370 180.370 179.481 0.889 18713 2878 1 5 . 1 1 41 41 ALA CA C 41 54.930 54.930 54.795 0.135 18713 2879 1 5 . 1 1 41 41 ALA CB C 41 18.150 18.150 17.932 0.218 18713 2880 1 5 . 1 1 41 41 ALA H H 41 7.860 7.860 8.401 -0.541 18713 2881 1 5 . 1 1 42 42 TYR N N 42 120.400 120.400 119.817 0.583 18713 2882 1 5 . 1 1 42 42 TYR HA H 42 3.970 3.970 4.096 -0.126 18713 2883 1 5 . 1 1 42 42 TYR C C 42 177.220 177.220 177.692 -0.472 18713 2884 1 5 . 1 1 42 42 TYR CA C 42 60.350 60.350 61.993 -1.643 18713 2885 1 5 . 1 1 42 42 TYR CB C 42 38.450 38.450 38.623 -0.173 18713 2886 1 5 . 1 1 42 42 TYR H H 42 8.266 8.266 7.905 0.361 18713 2887 1 5 . 1 1 43 43 LEU N N 43 119.630 119.630 119.664 -0.034 18713 2888 1 5 . 1 1 43 43 LEU HA H 43 3.812 3.812 3.889 -0.077 18713 2889 1 5 . 1 1 43 43 LEU C C 43 177.790 177.790 178.616 -0.826 18713 2890 1 5 . 1 1 43 43 LEU CA C 43 57.530 57.530 58.321 -0.791 18713 2891 1 5 . 1 1 43 43 LEU CB C 43 41.990 41.990 42.055 -0.065 18713 2892 1 5 . 1 1 43 43 LEU H H 43 8.080 8.080 7.779 0.301 18713 2893 1 5 . 1 1 44 44 VAL N N 44 118.320 118.320 119.022 -0.702 18713 2894 1 5 . 1 1 44 44 VAL HA H 44 3.450 3.450 3.504 -0.054 18713 2895 1 5 . 1 1 44 44 VAL C C 44 177.960 177.960 178.010 -0.050 18713 2896 1 5 . 1 1 44 44 VAL CA C 44 67.150 67.150 67.175 -0.025 18713 2897 1 5 . 1 1 44 44 VAL CB C 44 31.250 31.250 31.357 -0.107 18713 2898 1 5 . 1 1 44 44 VAL H H 44 8.415 8.415 8.633 -0.218 18713 2899 1 5 . 1 1 45 45 GLY N N 45 106.020 106.020 107.692 -1.672 18713 2900 1 5 . 1 1 45 45 GLY C C 45 176.070 176.070 176.025 0.045 18713 2901 1 5 . 1 1 45 45 GLY CA C 45 47.410 47.410 47.193 0.217 18713 2902 1 5 . 1 1 45 45 GLY H H 45 7.747 7.747 8.207 -0.460 18713 2903 1 5 . 1 1 46 46 LEU N N 46 122.340 122.340 122.457 -0.117 18713 2904 1 5 . 1 1 46 46 LEU HA H 46 4.002 4.002 4.063 -0.061 18713 2905 1 5 . 1 1 46 46 LEU C C 46 179.520 179.520 177.933 1.587 18713 2906 1 5 . 1 1 46 46 LEU CA C 46 57.410 57.410 57.218 0.192 18713 2907 1 5 . 1 1 46 46 LEU CB C 46 42.350 42.350 41.996 0.353 18713 2908 1 5 . 1 1 46 46 LEU H H 46 7.802 7.802 7.560 0.242 18713 2909 1 5 . 1 1 47 47 LEU N N 47 118.450 118.450 119.264 -0.814 18713 2910 1 5 . 1 1 47 47 LEU HA H 47 4.169 4.169 4.088 0.081 18713 2911 1 5 . 1 1 47 47 LEU C C 47 178.210 178.210 179.150 -0.940 18713 2912 1 5 . 1 1 47 47 LEU CA C 47 56.950 56.950 57.648 -0.698 18713 2913 1 5 . 1 1 47 47 LEU CB C 47 41.850 41.850 41.906 -0.056 18713 2914 1 5 . 1 1 47 47 LEU H H 47 8.082 8.082 8.382 -0.300 18713 2915 1 5 . 1 1 48 48 GLU N N 48 116.980 116.980 116.871 0.109 18713 2916 1 5 . 1 1 48 48 GLU HA H 48 4.142 4.142 3.872 0.270 18713 2917 1 5 . 1 1 48 48 GLU C C 48 177.120 177.120 177.596 -0.476 18713 2918 1 5 . 1 1 48 48 GLU CA C 48 57.450 57.450 58.618 -1.168 18713 2919 1 5 . 1 1 48 48 GLU CB C 48 30.010 30.010 29.576 0.434 18713 2920 1 5 . 1 1 48 48 GLU H H 48 7.870 7.870 8.432 -0.562 18713 2921 1 5 . 1 1 49 49 HIS N N 49 114.660 114.660 113.766 0.894 18713 2922 1 5 . 1 1 49 49 HIS HA H 49 4.878 4.878 4.907 -0.029 18713 2923 1 5 . 1 1 49 49 HIS C C 49 174.070 174.070 174.546 -0.476 18713 2924 1 5 . 1 1 49 49 HIS CA C 49 55.760 55.760 54.722 1.038 18713 2925 1 5 . 1 1 49 49 HIS CB C 49 29.880 29.880 29.995 -0.115 18713 2926 1 5 . 1 1 49 49 HIS H H 49 7.833 7.833 7.704 0.129 18713 2927 1 5 . 1 1 50 50 THR N N 50 113.050 113.050 118.396 -5.346 18713 2928 1 5 . 1 1 50 50 THR HA H 50 4.571 4.571 4.031 0.540 18713 2929 1 5 . 1 1 50 50 THR C C 50 173.390 173.390 174.639 -1.249 18713 2930 1 5 . 1 1 50 50 THR CA C 50 61.880 61.880 64.093 -2.212 18713 2931 1 5 . 1 1 50 50 THR CB C 50 70.350 70.350 67.743 2.607 18713 2932 1 5 . 1 1 50 50 THR H H 50 7.871 7.871 7.193 0.678 18713 2933 1 5 . 1 1 51 51 ASN N N 51 119.760 119.760 122.176 -2.416 18713 2934 1 5 . 1 1 51 51 ASN HA H 51 4.868 4.868 4.343 0.525 18713 2935 1 5 . 1 1 51 51 ASN C C 51 175.440 175.440 176.073 -0.633 18713 2936 1 5 . 1 1 51 51 ASN CA C 51 52.870 52.870 53.404 -0.534 18713 2937 1 5 . 1 1 51 51 ASN CB C 51 38.470 38.470 38.216 0.254 18713 2938 1 5 . 1 1 51 51 ASN H H 51 8.477 8.477 8.578 -0.101 18713 2939 1 5 . 1 1 52 52 LEU N N 52 121.360 121.360 115.279 6.081 18713 2940 1 5 . 1 1 52 52 LEU HA H 52 4.144 4.144 4.310 -0.166 18713 2941 1 5 . 1 1 52 52 LEU C C 52 177.440 177.440 177.458 -0.018 18713 2942 1 5 . 1 1 52 52 LEU CA C 52 56.880 56.880 56.761 0.119 18713 2943 1 5 . 1 1 52 52 LEU CB C 52 42.240 42.240 41.664 0.576 18713 2944 1 5 . 1 1 52 52 LEU H H 52 8.089 8.089 7.750 0.339 18713 2945 1 5 . 1 1 53 53 LEU N N 53 119.350 119.350 120.585 -1.235 18713 2946 1 5 . 1 1 53 53 LEU HA H 53 4.255 4.255 3.986 0.269 18713 2947 1 5 . 1 1 53 53 LEU C C 53 177.360 177.360 178.114 -0.754 18713 2948 1 5 . 1 1 53 53 LEU CA C 53 56.010 56.010 56.734 -0.724 18713 2949 1 5 . 1 1 53 53 LEU CB C 53 41.770 41.770 40.509 1.261 18713 2950 1 5 . 1 1 53 53 LEU H H 53 8.165 8.165 7.782 0.383 18713 2951 1 5 . 1 1 54 54 ALA N N 54 122.310 122.310 121.157 1.153 18713 2952 1 5 . 1 1 54 54 ALA HA H 54 4.222 4.222 4.105 0.117 18713 2953 1 5 . 1 1 54 54 ALA C C 54 177.620 177.620 179.102 -1.482 18713 2954 1 5 . 1 1 54 54 ALA CA C 54 53.250 53.250 54.038 -0.788 18713 2955 1 5 . 1 1 54 54 ALA CB C 54 18.820 18.820 18.451 0.369 18713 2956 1 5 . 1 1 54 54 ALA H H 54 7.969 7.969 7.666 0.303 18713 2957 1 5 . 1 1 55 55 LEU N N 55 117.930 117.930 117.664 0.266 18713 2958 1 5 . 1 1 55 55 LEU HA H 55 4.233 4.233 4.115 0.118 18713 2959 1 5 . 1 1 55 55 LEU C C 55 176.740 176.740 178.093 -1.353 18713 2960 1 5 . 1 1 55 55 LEU CA C 55 55.420 55.420 57.136 -1.716 18713 2961 1 5 . 1 1 55 55 LEU CB C 55 42.350 42.350 42.540 -0.190 18713 2962 1 5 . 1 1 55 55 LEU H H 55 7.696 7.696 7.718 -0.022 18713 2963 1 5 . 1 1 56 56 HIS N N 56 117.120 117.120 108.766 8.354 18713 2964 1 5 . 1 1 56 56 HIS HA H 56 4.665 4.665 4.611 0.054 18713 2965 1 5 . 1 1 56 56 HIS C C 56 174.150 174.150 173.922 0.228 18713 2966 1 5 . 1 1 56 56 HIS CA C 56 55.420 55.420 55.460 -0.040 18713 2967 1 5 . 1 1 56 56 HIS CB C 56 29.250 29.250 29.228 0.022 18713 2968 1 5 . 1 1 56 56 HIS H H 56 8.196 8.196 7.591 0.605 18713 2969 1 5 . 1 1 57 57 LEU N N 57 120.690 120.690 122.506 -1.816 18713 2970 1 5 . 1 1 57 57 LEU HA H 57 4.414 4.414 4.467 -0.053 18713 2971 1 5 . 1 1 57 57 LEU C C 57 175.760 175.760 175.733 0.027 18713 2972 1 5 . 1 1 57 57 LEU CA C 57 55.410 55.410 54.175 1.235 18713 2973 1 5 . 1 1 57 57 LEU CB C 57 42.470 42.470 43.904 -1.435 18713 2974 1 5 . 1 1 57 57 LEU H H 57 7.989 7.989 8.120 -0.131 18713 2975 1 5 . 1 1 58 58 VAL N N 58 119.740 119.740 121.559 -1.819 18713 2976 1 5 . 1 1 58 58 VAL HA H 58 4.485 4.485 4.465 0.020 18713 2977 1 5 . 1 1 58 58 VAL C C 58 173.880 173.880 174.344 -0.464 18713 2978 1 5 . 1 1 58 58 VAL CA C 58 59.520 59.520 58.860 0.660 18713 2979 1 5 . 1 1 58 58 VAL CB C 58 32.710 32.710 32.578 0.132 18713 2980 1 5 . 1 1 58 58 VAL H H 58 7.848 7.848 8.175 -0.327 18713 2981 1 5 . 1 1 59 59 PRO HA H 59 4.449 4.449 4.439 0.010 18713 2982 1 5 . 1 1 59 59 PRO C C 59 174.250 174.250 175.645 -1.395 18713 2983 1 5 . 1 1 59 59 PRO CA C 59 63.200 63.200 63.546 -0.346 18713 2984 1 5 . 1 1 59 59 PRO CB C 59 32.120 32.120 32.169 -0.049 18713 2985 1 5 . 1 1 60 60 ARG N N 60 121.450 121.450 125.546 -4.096 18713 2986 1 5 . 1 1 60 60 ARG HA H 60 4.335 4.335 4.302 0.033 18713 2987 1 5 . 1 1 60 60 ARG C C 60 176.620 176.620 178.008 -1.388 18713 2988 1 5 . 1 1 60 60 ARG CA C 60 56.460 56.460 56.908 -0.448 18713 2989 1 5 . 1 1 60 60 ARG CB C 60 30.720 30.720 31.224 -0.503 18713 2990 1 5 . 1 1 60 60 ARG H H 60 8.397 8.397 8.617 -0.220 18713 2991 1 5 . 1 1 61 61 GLY N N 61 110.770 110.770 108.724 2.046 18713 2992 1 5 . 1 1 61 61 GLY C C 61 174.090 174.090 175.006 -0.916 18713 2993 1 5 . 1 1 61 61 GLY CA C 61 45.650 45.650 46.884 -1.234 18713 2994 1 5 . 1 1 61 61 GLY H H 61 8.541 8.541 8.675 -0.134 18713 2995 1 5 . 1 1 62 62 SER N N 62 115.890 115.890 115.095 0.795 18713 2996 1 5 . 1 1 62 62 SER HA H 62 4.470 4.470 4.243 0.227 18713 2997 1 5 . 1 1 62 62 SER C C 62 174.270 174.270 175.625 -1.355 18713 2998 1 5 . 1 1 62 62 SER CA C 62 58.750 58.750 60.779 -2.030 18713 2999 1 5 . 1 1 62 62 SER CB C 62 64.100 64.100 63.199 0.901 18713 3000 1 5 . 1 1 62 62 SER H H 62 8.145 8.145 7.982 0.163 18713 3001 1 5 . 1 1 63 63 LYS N N 63 122.680 122.680 120.125 2.555 18713 3002 1 5 . 1 1 63 63 LYS HA H 63 4.372 4.372 4.054 0.318 18713 3003 1 5 . 1 1 63 63 LYS C C 63 175.950 175.950 177.008 -1.058 18713 3004 1 5 . 1 1 63 63 LYS CA C 63 56.120 56.120 57.785 -1.665 18713 3005 1 5 . 1 1 63 63 LYS CB C 63 32.830 32.830 32.510 0.321 18713 3006 1 5 . 1 1 63 63 LYS H H 63 8.336 8.336 7.867 0.469 18713 3007 1 5 . 1 1 64 64 ARG N N 64 120.930 120.930 118.275 2.655 18713 3008 1 5 . 1 1 64 64 ARG HA H 64 4.395 4.395 4.190 0.205 18713 3009 1 5 . 1 1 64 64 ARG C C 64 175.550 175.550 176.583 -1.033 18713 3010 1 5 . 1 1 64 64 ARG CA C 64 56.350 56.350 56.276 0.073 18713 3011 1 5 . 1 1 64 64 ARG CB C 64 30.950 30.950 30.737 0.213 18713 3012 1 5 . 1 1 64 64 ARG H H 64 8.187 8.187 7.523 0.664 18713 3013 1 5 . 1 1 65 65 ILE N N 65 121.120 121.120 124.672 -3.552 18713 3014 1 5 . 1 1 65 65 ILE HA H 65 4.255 4.255 4.125 0.130 18713 3015 1 5 . 1 1 65 65 ILE C C 65 175.880 175.880 176.629 -0.749 18713 3016 1 5 . 1 1 65 65 ILE CA C 65 61.170 61.170 61.352 -0.182 18713 3017 1 5 . 1 1 65 65 ILE CB C 65 38.820 38.820 36.881 1.939 18713 3018 1 5 . 1 1 65 65 ILE H H 65 8.165 8.165 8.604 -0.439 18713 3019 1 5 . 1 1 66 66 SER N N 66 120.720 120.720 122.263 -1.543 18713 3020 1 5 . 1 1 66 66 SER HA H 66 4.511 4.511 4.306 0.205 18713 3021 1 5 . 1 1 66 66 SER C C 66 174.490 174.490 175.041 -0.551 18713 3022 1 5 . 1 1 66 66 SER CA C 66 58.580 58.580 59.749 -1.169 18713 3023 1 5 . 1 1 66 66 SER CB C 66 64.110 64.110 63.875 0.235 18713 3024 1 5 . 1 1 66 66 SER H H 66 8.346 8.346 8.452 -0.106 18713 3025 1 5 . 1 1 67 67 GLY N N 67 110.050 110.050 108.892 1.158 18713 3026 1 5 . 1 1 67 67 GLY C C 67 175.840 175.840 172.419 3.421 18713 3027 1 5 . 1 1 67 67 GLY CA C 67 45.480 45.480 44.432 1.048 18713 3028 1 5 . 1 1 67 67 GLY H H 67 8.275 8.275 7.896 0.379 18713 3029 1 5 . 1 1 68 68 LEU N N 68 120.990 120.990 122.803 -1.813 18713 3030 1 5 . 1 1 68 68 LEU HA H 68 4.492 4.492 4.448 0.044 18713 3031 1 5 . 1 1 68 68 LEU C C 68 177.450 177.450 178.628 -1.178 18713 3032 1 5 . 1 1 68 68 LEU CA C 68 55.410 55.410 54.810 0.600 18713 3033 1 5 . 1 1 68 68 LEU CB C 68 42.710 42.710 42.534 0.176 18713 3034 1 5 . 1 1 68 68 LEU H H 68 8.057 8.057 8.257 -0.200 18713 3035 1 5 . 1 1 70 70 TYR HA H 70 4.039 4.039 4.240 -0.201 18713 3036 1 5 . 1 1 70 70 TYR CA C 70 61.650 61.650 61.940 -0.290 18713 3037 1 5 . 1 1 70 70 TYR CB C 70 38.250 38.250 37.166 1.084 18713 3038 1 5 . 1 1 71 71 GLU N N 71 117.580 117.580 119.576 -1.996 18713 3039 1 5 . 1 1 71 71 GLU HA H 71 4.173 4.173 4.077 0.096 18713 3040 1 5 . 1 1 71 71 GLU CA C 71 60.120 60.120 59.801 0.319 18713 3041 1 5 . 1 1 71 71 GLU CB C 71 29.080 29.080 28.813 0.267 18713 3042 1 5 . 1 1 71 71 GLU H H 71 8.999 8.999 8.814 0.185 18713 3043 1 5 . 1 1 72 72 GLU N N 72 119.620 119.620 119.930 -0.310 18713 3044 1 5 . 1 1 72 72 GLU HA H 72 4.165 4.165 4.071 0.094 18713 3045 1 5 . 1 1 72 72 GLU C C 72 178.090 178.090 179.460 -1.370 18713 3046 1 5 . 1 1 72 72 GLU CA C 72 58.350 58.350 59.425 -1.075 18713 3047 1 5 . 1 1 72 72 GLU CB C 72 29.880 29.880 29.739 0.141 18713 3048 1 5 . 1 1 72 72 GLU H H 72 7.760 7.760 7.873 -0.113 18713 3049 1 5 . 1 1 73 73 VAL N N 73 117.510 117.510 119.877 -2.367 18713 3050 1 5 . 1 1 73 73 VAL HA H 73 3.757 3.757 3.698 0.059 18713 3051 1 5 . 1 1 73 73 VAL C C 73 176.620 176.620 178.365 -1.745 18713 3052 1 5 . 1 1 73 73 VAL CA C 73 65.450 65.450 66.666 -1.216 18713 3053 1 5 . 1 1 73 73 VAL CB C 73 31.540 31.540 31.681 -0.141 18713 3054 1 5 . 1 1 73 73 VAL H H 73 7.869 7.869 8.386 -0.517 18713 3055 1 5 . 1 1 74 74 ARG N N 74 120.440 120.440 119.630 0.810 18713 3056 1 5 . 1 1 74 74 ARG HA H 74 3.649 3.649 4.013 -0.364 18713 3057 1 5 . 1 1 74 74 ARG C C 74 176.860 176.860 178.572 -1.712 18713 3058 1 5 . 1 1 74 74 ARG CA C 74 59.950 59.950 59.897 0.053 18713 3059 1 5 . 1 1 74 74 ARG CB C 74 30.070 30.070 30.071 -0.001 18713 3060 1 5 . 1 1 74 74 ARG H H 74 8.335 8.335 8.535 -0.200 18713 3061 1 5 . 1 1 75 75 ALA N N 75 119.490 119.490 122.085 -2.595 18713 3062 1 5 . 1 1 75 75 ALA HA H 75 4.157 4.157 4.123 0.034 18713 3063 1 5 . 1 1 75 75 ALA C C 75 180.380 180.380 179.682 0.698 18713 3064 1 5 . 1 1 75 75 ALA CA C 75 55.540 55.540 55.134 0.406 18713 3065 1 5 . 1 1 75 75 ALA CB C 75 18.320 18.320 18.407 -0.087 18713 3066 1 5 . 1 1 75 75 ALA H H 75 7.725 7.725 8.608 -0.883 18713 3067 1 5 . 1 1 76 76 VAL N N 76 116.910 116.910 119.463 -2.553 18713 3068 1 5 . 1 1 76 76 VAL HA H 76 4.125 4.125 3.762 0.363 18713 3069 1 5 . 1 1 76 76 VAL C C 76 178.340 178.340 177.878 0.462 18713 3070 1 5 . 1 1 76 76 VAL CA C 76 64.950 64.950 66.538 -1.588 18713 3071 1 5 . 1 1 76 76 VAL CB C 76 31.820 31.820 31.673 0.147 18713 3072 1 5 . 1 1 76 76 VAL H H 76 7.814 7.814 8.132 -0.318 18713 3073 1 5 . 1 1 77 77 LEU N N 77 121.020 121.020 120.219 0.801 18713 3074 1 5 . 1 1 77 77 LEU HA H 77 4.425 4.425 3.922 0.503 18713 3075 1 5 . 1 1 77 77 LEU C C 77 177.930 177.930 178.622 -0.692 18713 3076 1 5 . 1 1 77 77 LEU CA C 77 57.250 57.250 58.292 -1.042 18713 3077 1 5 . 1 1 77 77 LEU CB C 77 43.010 43.010 41.298 1.712 18713 3078 1 5 . 1 1 77 77 LEU H H 77 8.389 8.389 8.140 0.249 18713 3079 1 5 . 1 1 78 78 LYS N N 78 120.530 120.530 120.425 0.105 18713 3080 1 5 . 1 1 78 78 LYS HA H 78 3.907 3.907 4.064 -0.157 18713 3081 1 5 . 1 1 78 78 LYS C C 78 177.320 177.320 178.495 -1.175 18713 3082 1 5 . 1 1 78 78 LYS CA C 78 61.350 61.350 60.626 0.724 18713 3083 1 5 . 1 1 78 78 LYS CB C 78 32.450 32.450 32.170 0.280 18713 3084 1 5 . 1 1 78 78 LYS H H 78 8.757 8.757 8.611 0.146 18713 3085 1 5 . 1 1 79 79 SER N N 79 113.040 113.040 115.068 -2.028 18713 3086 1 5 . 1 1 79 79 SER HA H 79 4.270 4.270 4.153 0.117 18713 3087 1 5 . 1 1 79 79 SER C C 79 177.320 177.320 176.315 1.005 18713 3088 1 5 . 1 1 79 79 SER CA C 79 62.250 62.250 61.918 0.332 18713 3089 1 5 . 1 1 79 79 SER CB C 79 63.050 63.050 63.067 -0.017 18713 3090 1 5 . 1 1 79 79 SER H H 79 8.055 8.055 7.959 0.096 18713 3091 1 5 . 1 1 80 80 PHE N N 80 123.520 123.520 123.133 0.387 18713 3092 1 5 . 1 1 80 80 PHE HA H 80 4.255 4.255 4.174 0.081 18713 3093 1 5 . 1 1 80 80 PHE C C 80 176.480 176.480 176.940 -0.460 18713 3094 1 5 . 1 1 80 80 PHE CA C 80 60.650 60.650 61.279 -0.629 18713 3095 1 5 . 1 1 80 80 PHE CB C 80 39.450 39.450 38.945 0.505 18713 3096 1 5 . 1 1 80 80 PHE H H 80 7.734 7.734 8.065 -0.331 18713 3097 1 5 . 1 1 81 81 LEU N N 81 119.370 119.370 119.470 -0.100 18713 3098 1 5 . 1 1 81 81 LEU HA H 81 3.558 3.558 3.438 0.120 18713 3099 1 5 . 1 1 81 81 LEU C C 81 178.280 178.280 179.182 -0.902 18713 3100 1 5 . 1 1 81 81 LEU CA C 81 57.650 57.650 58.250 -0.600 18713 3101 1 5 . 1 1 81 81 LEU CB C 81 42.750 42.750 41.603 1.147 18713 3102 1 5 . 1 1 81 81 LEU H H 81 8.693 8.693 9.002 -0.309 18713 3103 1 5 . 1 1 82 82 GLU N N 82 118.350 118.350 119.168 -0.818 18713 3104 1 5 . 1 1 82 82 GLU HA H 82 3.785 3.785 3.943 -0.158 18713 3105 1 5 . 1 1 82 82 GLU C C 82 177.870 177.870 179.389 -1.519 18713 3106 1 5 . 1 1 82 82 GLU CA C 82 60.550 60.550 59.608 0.942 18713 3107 1 5 . 1 1 82 82 GLU CB C 82 29.280 29.280 29.126 0.154 18713 3108 1 5 . 1 1 82 82 GLU H H 82 8.869 8.869 8.795 0.074 18713 3109 1 5 . 1 1 83 83 SER N N 83 113.610 113.610 115.943 -2.333 18713 3110 1 5 . 1 1 83 83 SER HA H 83 4.165 4.165 4.133 0.032 18713 3111 1 5 . 1 1 83 83 SER C C 83 177.830 177.830 176.608 1.222 18713 3112 1 5 . 1 1 83 83 SER CA C 83 61.150 61.150 62.046 -0.896 18713 3113 1 5 . 1 1 83 83 SER CB C 83 62.750 62.750 63.102 -0.352 18713 3114 1 5 . 1 1 83 83 SER H H 83 7.474 7.474 8.382 -0.908 18713 3115 1 5 . 1 1 84 84 VAL N N 84 121.040 121.040 122.789 -1.749 18713 3116 1 5 . 1 1 84 84 VAL HA H 84 3.660 3.660 3.589 0.071 18713 3117 1 5 . 1 1 84 84 VAL C C 84 179.270 179.270 177.646 1.624 18713 3118 1 5 . 1 1 84 84 VAL CA C 84 65.750 65.750 66.717 -0.967 18713 3119 1 5 . 1 1 84 84 VAL CB C 84 32.030 32.030 31.114 0.916 18713 3120 1 5 . 1 1 84 84 VAL H H 84 7.668 7.668 7.975 -0.307 18713 3121 1 5 . 1 1 85 85 ILE N N 85 123.350 123.350 120.323 3.027 18713 3122 1 5 . 1 1 85 85 ILE HA H 85 3.537 3.537 3.676 -0.139 18713 3123 1 5 . 1 1 85 85 ILE C C 85 176.550 176.550 178.545 -1.995 18713 3124 1 5 . 1 1 85 85 ILE CA C 85 66.710 66.710 65.268 1.442 18713 3125 1 5 . 1 1 85 85 ILE CB C 85 36.210 36.210 37.552 -1.342 18713 3126 1 5 . 1 1 85 85 ILE H H 85 9.086 9.086 7.940 1.146 18713 3127 1 5 . 1 1 86 86 ARG N N 86 120.150 120.150 119.420 0.730 18713 3128 1 5 . 1 1 86 86 ARG HA H 86 3.802 3.802 3.948 -0.146 18713 3129 1 5 . 1 1 86 86 ARG C C 86 178.920 178.920 178.977 -0.057 18713 3130 1 5 . 1 1 86 86 ARG CA C 86 59.980 59.980 60.167 -0.187 18713 3131 1 5 . 1 1 86 86 ARG CB C 86 29.650 29.650 29.927 -0.277 18713 3132 1 5 . 1 1 86 86 ARG H H 86 8.125 8.125 7.684 0.441 18713 3133 1 5 . 1 1 87 87 ASP N N 87 118.810 118.810 119.470 -0.660 18713 3134 1 5 . 1 1 87 87 ASP HA H 87 4.537 4.537 4.576 -0.039 18713 3135 1 5 . 1 1 87 87 ASP C C 87 178.050 178.050 178.473 -0.423 18713 3136 1 5 . 1 1 87 87 ASP CA C 87 57.140 57.140 56.805 0.335 18713 3137 1 5 . 1 1 87 87 ASP CB C 87 40.520 40.520 40.477 0.043 18713 3138 1 5 . 1 1 87 87 ASP H H 87 7.668 7.668 8.319 -0.651 18713 3139 1 5 . 1 1 88 88 SER N N 88 119.350 119.350 116.450 2.900 18713 3140 1 5 . 1 1 88 88 SER HA H 88 4.166 4.166 4.861 -0.695 18713 3141 1 5 . 1 1 88 88 SER C C 88 175.350 175.350 176.694 -1.344 18713 3142 1 5 . 1 1 88 88 SER CA C 88 57.170 57.170 61.434 -4.264 18713 3143 1 5 . 1 1 88 88 SER CB C 88 64.050 64.050 63.590 0.460 18713 3144 1 5 . 1 1 88 88 SER H H 88 8.506 8.506 8.146 0.360 18713 3145 1 5 . 1 1 89 89 VAL N N 89 121.240 121.240 123.754 -2.514 18713 3146 1 5 . 1 1 89 89 VAL HA H 89 3.611 3.611 3.832 -0.221 18713 3147 1 5 . 1 1 89 89 VAL C C 89 177.440 177.440 178.404 -0.964 18713 3148 1 5 . 1 1 89 89 VAL CA C 89 65.990 65.990 66.572 -0.582 18713 3149 1 5 . 1 1 89 89 VAL CB C 89 31.240 31.240 31.707 -0.467 18713 3150 1 5 . 1 1 89 89 VAL H H 89 8.505 8.505 8.785 -0.280 18713 3151 1 5 . 1 1 90 90 THR N N 90 117.040 117.040 117.009 0.031 18713 3152 1 5 . 1 1 90 90 THR HA H 90 4.013 4.013 3.988 0.025 18713 3153 1 5 . 1 1 90 90 THR C C 90 177.410 177.410 176.705 0.705 18713 3154 1 5 . 1 1 90 90 THR CA C 90 66.550 66.550 67.120 -0.570 18713 3155 1 5 . 1 1 90 90 THR CB C 90 68.220 68.220 68.749 -0.529 18713 3156 1 5 . 1 1 90 90 THR H H 90 8.016 8.016 7.688 0.328 18713 3157 1 5 . 1 1 91 91 TYR N N 91 122.770 122.770 120.193 2.577 18713 3158 1 5 . 1 1 91 91 TYR HA H 91 4.162 4.162 4.387 -0.225 18713 3159 1 5 . 1 1 91 91 TYR C C 91 178.180 178.180 178.464 -0.284 18713 3160 1 5 . 1 1 91 91 TYR CA C 91 62.470 62.470 61.175 1.294 18713 3161 1 5 . 1 1 91 91 TYR CB C 91 38.030 38.030 38.047 -0.017 18713 3162 1 5 . 1 1 91 91 TYR H H 91 7.822 7.822 7.960 -0.138 18713 3163 1 5 . 1 1 92 92 THR N N 92 119.350 119.350 113.624 5.726 18713 3164 1 5 . 1 1 92 92 THR HA H 92 3.678 3.678 3.985 -0.307 18713 3165 1 5 . 1 1 92 92 THR C C 92 175.880 175.880 177.106 -1.226 18713 3166 1 5 . 1 1 92 92 THR CA C 92 67.390 67.390 66.610 0.780 18713 3167 1 5 . 1 1 92 92 THR CB C 92 69.190 69.190 68.441 0.749 18713 3168 1 5 . 1 1 92 92 THR H H 92 8.160 8.160 8.799 -0.639 18713 3169 1 5 . 1 1 93 93 GLU N N 93 118.840 118.840 122.592 -3.752 18713 3170 1 5 . 1 1 93 93 GLU HA H 93 4.238 4.238 4.022 0.216 18713 3171 1 5 . 1 1 93 93 GLU C C 93 181.340 181.340 179.353 1.987 18713 3172 1 5 . 1 1 93 93 GLU CA C 93 58.290 58.290 59.322 -1.032 18713 3173 1 5 . 1 1 93 93 GLU CB C 93 28.890 28.890 29.245 -0.355 18713 3174 1 5 . 1 1 93 93 GLU H H 93 8.514 8.514 8.868 -0.354 18713 3175 1 5 . 1 1 94 94 HIS N N 94 120.870 120.870 120.241 0.629 18713 3176 1 5 . 1 1 94 94 HIS HA H 94 4.465 4.465 4.378 0.087 18713 3177 1 5 . 1 1 94 94 HIS C C 94 175.390 175.390 175.744 -0.354 18713 3178 1 5 . 1 1 94 94 HIS CA C 94 58.250 58.250 59.014 -0.764 18713 3179 1 5 . 1 1 94 94 HIS CB C 94 28.110 28.110 30.096 -1.986 18713 3180 1 5 . 1 1 94 94 HIS H H 94 8.531 8.531 8.192 0.339 18713 3181 1 5 . 1 1 95 95 ALA N N 95 121.010 121.010 119.468 1.542 18713 3182 1 5 . 1 1 95 95 ALA HA H 95 4.335 4.335 4.487 -0.152 18713 3183 1 5 . 1 1 95 95 ALA C C 95 175.380 175.380 175.785 -0.405 18713 3184 1 5 . 1 1 95 95 ALA CA C 95 51.750 51.750 51.475 0.275 18713 3185 1 5 . 1 1 95 95 ALA CB C 95 18.710 18.710 19.351 -0.641 18713 3186 1 5 . 1 1 95 95 ALA H H 95 7.525 7.525 7.661 -0.136 18713 3187 1 5 . 1 1 96 96 LYS N N 96 115.990 115.990 114.457 1.533 18713 3188 1 5 . 1 1 96 96 LYS HA H 96 3.955 3.955 3.819 0.136 18713 3189 1 5 . 1 1 96 96 LYS C C 96 175.020 175.020 175.996 -0.976 18713 3190 1 5 . 1 1 96 96 LYS CA C 96 56.590 56.590 57.438 -0.848 18713 3191 1 5 . 1 1 96 96 LYS CB C 96 28.650 28.650 29.042 -0.392 18713 3192 1 5 . 1 1 96 96 LYS H H 96 8.232 8.232 8.083 0.149 18713 3193 1 5 . 1 1 97 97 ARG N N 97 116.850 116.850 120.125 -3.275 18713 3194 1 5 . 1 1 97 97 ARG HA H 97 4.651 4.651 4.329 0.322 18713 3195 1 5 . 1 1 97 97 ARG C C 97 175.250 175.250 174.732 0.518 18713 3196 1 5 . 1 1 97 97 ARG CA C 97 55.010 55.010 55.545 -0.535 18713 3197 1 5 . 1 1 97 97 ARG CB C 97 35.170 35.170 32.718 2.452 18713 3198 1 5 . 1 1 97 97 ARG H H 97 7.685 7.685 8.396 -0.711 18713 3199 1 5 . 1 1 98 98 LYS N N 98 115.990 115.990 120.204 -4.214 18713 3200 1 5 . 1 1 98 98 LYS HA H 98 4.409 4.409 4.589 -0.180 18713 3201 1 5 . 1 1 98 98 LYS C C 98 174.320 174.320 174.465 -0.145 18713 3202 1 5 . 1 1 98 98 LYS CA C 98 54.500 54.500 55.757 -1.256 18713 3203 1 5 . 1 1 98 98 LYS CB C 98 33.590 33.590 32.160 1.430 18713 3204 1 5 . 1 1 98 98 LYS H H 98 8.232 8.232 8.376 -0.144 18713 3205 1 5 . 1 1 99 99 THR N N 99 114.310 114.310 114.256 0.054 18713 3206 1 5 . 1 1 99 99 THR HA H 99 4.769 4.769 4.789 -0.020 18713 3207 1 5 . 1 1 99 99 THR C C 99 172.170 172.170 173.247 -1.077 18713 3208 1 5 . 1 1 99 99 THR CA C 99 60.510 60.510 61.907 -1.397 18713 3209 1 5 . 1 1 99 99 THR CB C 99 70.180 70.180 72.463 -2.283 18713 3210 1 5 . 1 1 99 99 THR H H 99 6.768 6.768 7.742 -0.974 18713 3211 1 5 . 1 1 100 100 VAL N N 100 128.820 128.820 126.141 2.679 18713 3212 1 5 . 1 1 100 100 VAL HA H 100 3.987 3.987 4.168 -0.181 18713 3213 1 5 . 1 1 100 100 VAL C C 100 175.690 175.690 174.554 1.136 18713 3214 1 5 . 1 1 100 100 VAL CA C 100 61.950 61.950 61.210 0.740 18713 3215 1 5 . 1 1 100 100 VAL CB C 100 32.290 32.290 32.142 0.149 18713 3216 1 5 . 1 1 100 100 VAL H H 100 8.690 8.690 9.040 -0.350 18713 3217 1 5 . 1 1 101 101 THR N N 101 118.310 118.310 116.068 2.242 18713 3218 1 5 . 1 1 101 101 THR HA H 101 4.798 4.798 5.046 -0.248 18713 3219 1 5 . 1 1 101 101 THR C C 101 176.460 176.460 175.517 0.943 18713 3220 1 5 . 1 1 101 101 THR CA C 101 59.990 59.990 59.195 0.795 18713 3221 1 5 . 1 1 101 101 THR CB C 101 72.550 72.550 71.707 0.843 18713 3222 1 5 . 1 1 101 101 THR H H 101 9.263 9.263 7.936 1.327 18713 3223 1 5 . 1 1 102 102 SER N N 102 115.810 115.810 119.973 -4.163 18713 3224 1 5 . 1 1 102 102 SER HA H 102 3.913 3.913 4.189 -0.276 18713 3225 1 5 . 1 1 102 102 SER C C 102 175.210 175.210 175.834 -0.624 18713 3226 1 5 . 1 1 102 102 SER CA C 102 61.850 61.850 61.269 0.581 18713 3227 1 5 . 1 1 102 102 SER CB C 102 61.850 61.850 62.607 -0.757 18713 3228 1 5 . 1 1 102 102 SER H H 102 9.148 9.148 8.863 0.285 18713 3229 1 5 . 1 1 103 103 LEU N N 103 121.540 121.540 122.938 -1.398 18713 3230 1 5 . 1 1 103 103 LEU HA H 103 3.965 3.965 4.090 -0.125 18713 3231 1 5 . 1 1 103 103 LEU C C 103 177.780 177.780 177.882 -0.102 18713 3232 1 5 . 1 1 103 103 LEU CA C 103 57.630 57.630 56.887 0.743 18713 3233 1 5 . 1 1 103 103 LEU CB C 103 41.430 41.430 40.773 0.657 18713 3234 1 5 . 1 1 103 103 LEU H H 103 7.389 7.389 7.448 -0.059 18713 3235 1 5 . 1 1 104 104 ASP N N 104 120.260 120.260 118.843 1.417 18713 3236 1 5 . 1 1 104 104 ASP HA H 104 4.240 4.240 4.055 0.185 18713 3237 1 5 . 1 1 104 104 ASP C C 104 177.230 177.230 178.638 -1.408 18713 3238 1 5 . 1 1 104 104 ASP CA C 104 58.140 58.140 57.023 1.117 18713 3239 1 5 . 1 1 104 104 ASP CB C 104 41.050 41.050 40.748 0.302 18713 3240 1 5 . 1 1 104 104 ASP H H 104 7.240 7.240 7.746 -0.506 18713 3241 1 5 . 1 1 105 105 VAL N N 105 118.230 118.230 120.278 -2.048 18713 3242 1 5 . 1 1 105 105 VAL HA H 105 4.025 4.025 3.705 0.320 18713 3243 1 5 . 1 1 105 105 VAL C C 105 177.550 177.550 177.825 -0.275 18713 3244 1 5 . 1 1 105 105 VAL CA C 105 65.270 65.270 66.524 -1.254 18713 3245 1 5 . 1 1 105 105 VAL CB C 105 31.570 31.570 31.570 -0.000 18713 3246 1 5 . 1 1 105 105 VAL H H 105 7.150 7.150 7.618 -0.468 18713 3247 1 5 . 1 1 106 106 VAL N N 106 120.450 120.450 120.640 -0.190 18713 3248 1 5 . 1 1 106 106 VAL HA H 106 3.512 3.512 3.700 -0.188 18713 3249 1 5 . 1 1 106 106 VAL C C 106 178.520 178.520 178.222 0.298 18713 3250 1 5 . 1 1 106 106 VAL CA C 106 67.440 67.440 66.974 0.466 18713 3251 1 5 . 1 1 106 106 VAL CB C 106 31.770 31.770 31.569 0.201 18713 3252 1 5 . 1 1 106 106 VAL H H 106 8.380 8.380 7.998 0.382 18713 3253 1 5 . 1 1 107 107 TYR N N 107 120.160 120.160 119.493 0.667 18713 3254 1 5 . 1 1 107 107 TYR HA H 107 4.113 4.113 4.052 0.061 18713 3255 1 5 . 1 1 107 107 TYR C C 107 177.950 177.950 177.799 0.151 18713 3256 1 5 . 1 1 107 107 TYR CA C 107 60.150 60.150 60.132 0.018 18713 3257 1 5 . 1 1 107 107 TYR CB C 107 36.210 36.210 36.778 -0.568 18713 3258 1 5 . 1 1 107 107 TYR H H 107 8.246 8.246 8.267 -0.021 18713 3259 1 5 . 1 1 108 108 ALA N N 108 123.660 123.660 122.180 1.480 18713 3260 1 5 . 1 1 108 108 ALA HA H 108 4.018 4.018 4.165 -0.147 18713 3261 1 5 . 1 1 108 108 ALA C C 108 180.350 180.350 179.941 0.409 18713 3262 1 5 . 1 1 108 108 ALA CA C 108 55.670 55.670 55.131 0.539 18713 3263 1 5 . 1 1 108 108 ALA CB C 108 20.650 20.650 18.437 2.213 18713 3264 1 5 . 1 1 108 108 ALA H H 108 7.912 7.912 8.417 -0.505 18713 3265 1 5 . 1 1 109 109 LEU N N 109 119.820 119.820 118.829 0.991 18713 3266 1 5 . 1 1 109 109 LEU HA H 109 3.887 3.887 4.087 -0.200 18713 3267 1 5 . 1 1 109 109 LEU C C 109 179.290 179.290 178.938 0.352 18713 3268 1 5 . 1 1 109 109 LEU CA C 109 57.870 57.870 57.446 0.424 18713 3269 1 5 . 1 1 109 109 LEU CB C 109 41.430 41.430 41.964 -0.534 18713 3270 1 5 . 1 1 109 109 LEU H H 109 8.727 8.727 8.467 0.260 18713 3271 1 5 . 1 1 110 110 LYS N N 110 120.420 120.420 120.021 0.399 18713 3272 1 5 . 1 1 110 110 LYS HA H 110 4.158 4.158 4.294 -0.136 18713 3273 1 5 . 1 1 110 110 LYS C C 110 179.470 179.470 179.730 -0.260 18713 3274 1 5 . 1 1 110 110 LYS CA C 110 58.850 58.850 59.340 -0.490 18713 3275 1 5 . 1 1 110 110 LYS CB C 110 32.050 32.050 32.447 -0.397 18713 3276 1 5 . 1 1 110 110 LYS H H 110 8.180 8.180 8.295 -0.115 18713 3277 1 5 . 1 1 111 111 ARG N N 111 119.820 119.820 117.123 2.697 18713 3278 1 5 . 1 1 111 111 ARG HA H 111 4.142 4.142 4.202 -0.060 18713 3279 1 5 . 1 1 111 111 ARG C C 111 177.240 177.240 178.285 -1.045 18713 3280 1 5 . 1 1 111 111 ARG CA C 111 58.150 58.150 58.128 0.022 18713 3281 1 5 . 1 1 111 111 ARG CB C 111 29.810 29.810 29.620 0.190 18713 3282 1 5 . 1 1 111 111 ARG H H 111 7.765 7.765 7.912 -0.147 18713 3283 1 5 . 1 1 112 112 GLN N N 112 116.120 116.120 118.847 -2.727 18713 3284 1 5 . 1 1 112 112 GLN HA H 112 4.435 4.435 4.283 0.152 18713 3285 1 5 . 1 1 112 112 GLN C C 112 176.060 176.060 176.224 -0.164 18713 3286 1 5 . 1 1 112 112 GLN CA C 112 55.550 55.550 56.178 -0.628 18713 3287 1 5 . 1 1 112 112 GLN CB C 112 28.760 28.760 29.108 -0.347 18713 3288 1 5 . 1 1 112 112 GLN H H 112 7.856 7.856 7.661 0.195 18713 3289 1 5 . 1 1 113 113 GLY N N 113 108.070 108.070 107.186 0.884 18713 3290 1 5 . 1 1 113 113 GLY C C 113 174.240 174.240 173.890 0.350 18713 3291 1 5 . 1 1 113 113 GLY CA C 113 45.953 45.953 44.544 1.409 18713 3292 1 5 . 1 1 113 113 GLY H H 113 8.048 8.048 7.665 0.383 18713 3293 1 5 . 1 1 114 114 ARG N N 114 119.710 119.710 120.528 -0.818 18713 3294 1 5 . 1 1 114 114 ARG HA H 114 4.565 4.565 4.675 -0.110 18713 3295 1 5 . 1 1 114 114 ARG C C 114 175.490 175.490 176.649 -1.159 18713 3296 1 5 . 1 1 114 114 ARG CA C 114 57.950 57.950 53.962 3.988 18713 3297 1 5 . 1 1 114 114 ARG CB C 114 31.510 31.510 31.855 -0.345 18713 3298 1 5 . 1 1 114 114 ARG H H 114 8.116 8.116 7.552 0.564 18713 3299 1 5 . 1 1 115 115 THR N N 115 114.890 114.890 112.616 2.274 18713 3300 1 5 . 1 1 115 115 THR HA H 115 4.262 4.262 3.731 0.531 18713 3301 1 5 . 1 1 115 115 THR C C 115 173.460 173.460 173.524 -0.064 18713 3302 1 5 . 1 1 115 115 THR CA C 115 61.820 61.820 63.202 -1.382 18713 3303 1 5 . 1 1 115 115 THR CB C 115 70.050 70.050 67.692 2.358 18713 3304 1 5 . 1 1 115 115 THR H H 115 8.143 8.143 8.512 -0.369 18713 3305 1 5 . 1 1 116 116 LEU N N 116 124.070 124.070 119.685 4.385 18713 3306 1 5 . 1 1 116 116 LEU HA H 116 4.425 4.425 4.231 0.194 18713 3307 1 5 . 1 1 116 116 LEU C C 116 175.830 175.830 177.386 -1.556 18713 3308 1 5 . 1 1 116 116 LEU CA C 116 54.760 54.760 55.331 -0.571 18713 3309 1 5 . 1 1 116 116 LEU CB C 116 43.280 43.280 42.363 0.917 18713 3310 1 5 . 1 1 116 116 LEU H H 116 8.143 8.143 7.506 0.637 18713 3311 1 5 . 1 1 117 117 TYR N N 117 121.630 121.630 122.059 -0.429 18713 3312 1 5 . 1 1 117 117 TYR HA H 117 4.550 4.550 4.601 -0.050 18713 3313 1 5 . 1 1 117 117 TYR C C 117 175.830 175.830 176.378 -0.548 18713 3314 1 5 . 1 1 117 117 TYR CA C 117 58.140 58.140 58.102 0.038 18713 3315 1 5 . 1 1 117 117 TYR CB C 117 38.850 38.850 39.176 -0.326 18713 3316 1 5 . 1 1 117 117 TYR H H 117 8.213 8.213 8.482 -0.269 18713 3317 1 5 . 1 1 118 118 GLY N N 118 110.050 110.050 106.196 3.854 18713 3318 1 5 . 1 1 118 118 GLY C C 118 173.660 173.660 174.664 -1.004 18713 3319 1 5 . 1 1 118 118 GLY CA C 118 45.470 45.470 45.026 0.444 18713 3320 1 5 . 1 1 118 118 GLY H H 118 8.275 8.275 7.990 0.285 18713 3321 1 5 . 1 1 119 119 PHE N N 119 119.610 119.610 120.221 -0.611 18713 3322 1 5 . 1 1 119 119 PHE HA H 119 4.612 4.612 4.276 0.336 18713 3323 1 5 . 1 1 119 119 PHE C C 119 175.280 175.280 176.629 -1.349 18713 3324 1 5 . 1 1 119 119 PHE CA C 119 58.060 58.060 58.949 -0.889 18713 3325 1 5 . 1 1 119 119 PHE CB C 119 40.050 40.050 39.164 0.886 18713 3326 1 5 . 1 1 119 119 PHE H H 119 8.033 8.033 7.917 0.116 18713 3327 1 5 . 1 1 120 120 GLY N N 120 110.930 110.930 108.005 2.925 18713 3328 1 5 . 1 1 120 120 GLY C C 120 173.050 173.050 173.851 -0.801 18713 3329 1 5 . 1 1 120 120 GLY CA C 120 45.650 45.650 44.952 0.698 18713 3330 1 5 . 1 1 120 120 GLY H H 120 8.334 8.334 8.100 0.234 18713 3331 1 6 . 1 1 2 2 ILE HA H 2 4.175 4.175 3.944 0.231 18713 3332 1 6 . 1 1 2 2 ILE CA C 2 61.880 61.880 63.303 -1.423 18713 3333 1 6 . 1 1 2 2 ILE CB C 2 37.770 37.770 38.478 -0.708 18713 3334 1 6 . 1 1 3 3 SER N N 3 116.020 116.020 114.799 1.221 18713 3335 1 6 . 1 1 3 3 SER HA H 3 4.435 4.435 4.314 0.121 18713 3336 1 6 . 1 1 3 3 SER CA C 3 59.590 59.590 60.450 -0.860 18713 3337 1 6 . 1 1 3 3 SER CB C 3 63.640 63.640 63.115 0.525 18713 3338 1 6 . 1 1 3 3 SER H H 3 7.913 7.913 8.221 -0.308 18713 3339 1 6 . 1 1 4 4 LYS N N 4 120.030 120.030 117.611 2.419 18713 3340 1 6 . 1 1 4 4 LYS HA H 4 4.380 4.380 3.893 0.487 18713 3341 1 6 . 1 1 4 4 LYS CA C 4 56.150 56.150 58.213 -2.063 18713 3342 1 6 . 1 1 4 4 LYS CB C 4 32.850 32.850 31.360 1.490 18713 3343 1 6 . 1 1 4 4 LYS H H 4 7.979 7.979 7.583 0.396 18713 3344 1 6 . 1 1 7 7 PHE HA H 7 4.023 4.023 4.238 -0.215 18713 3345 1 6 . 1 1 7 7 PHE C C 7 176.700 176.700 176.948 -0.248 18713 3346 1 6 . 1 1 7 7 PHE CA C 7 63.150 63.150 61.209 1.941 18713 3347 1 6 . 1 1 7 7 PHE CB C 7 39.880 39.880 38.269 1.611 18713 3348 1 6 . 1 1 8 8 ALA N N 8 121.230 121.230 121.988 -0.758 18713 3349 1 6 . 1 1 8 8 ALA HA H 8 3.920 3.920 4.179 -0.259 18713 3350 1 6 . 1 1 8 8 ALA C C 8 178.010 178.010 179.991 -1.981 18713 3351 1 6 . 1 1 8 8 ALA CA C 8 55.630 55.630 55.022 0.608 18713 3352 1 6 . 1 1 8 8 ALA CB C 8 17.750 17.750 18.329 -0.579 18713 3353 1 6 . 1 1 8 8 ALA H H 8 8.715 8.715 8.694 0.021 18713 3354 1 6 . 1 1 9 9 ARG N N 9 118.910 118.910 118.269 0.641 18713 3355 1 6 . 1 1 9 9 ARG HA H 9 4.081 4.081 3.923 0.158 18713 3356 1 6 . 1 1 9 9 ARG C C 9 177.790 177.790 178.902 -1.112 18713 3357 1 6 . 1 1 9 9 ARG CA C 9 58.700 58.700 59.498 -0.798 18713 3358 1 6 . 1 1 9 9 ARG CB C 9 30.120 30.120 30.128 -0.008 18713 3359 1 6 . 1 1 9 9 ARG H H 9 7.618 7.618 7.589 0.029 18713 3360 1 6 . 1 1 10 10 LEU N N 10 120.830 120.830 120.340 0.490 18713 3361 1 6 . 1 1 10 10 LEU HA H 10 4.233 4.233 3.906 0.327 18713 3362 1 6 . 1 1 10 10 LEU C C 10 177.780 177.780 178.751 -0.971 18713 3363 1 6 . 1 1 10 10 LEU CA C 10 57.680 57.680 57.845 -0.165 18713 3364 1 6 . 1 1 10 10 LEU CB C 10 41.680 41.680 41.642 0.038 18713 3365 1 6 . 1 1 10 10 LEU H H 10 7.752 7.752 8.208 -0.456 18713 3366 1 6 . 1 1 11 11 VAL N N 11 117.150 117.150 119.424 -2.274 18713 3367 1 6 . 1 1 11 11 VAL HA H 11 3.425 3.425 3.440 -0.015 18713 3368 1 6 . 1 1 11 11 VAL C C 11 177.830 177.830 177.792 0.038 18713 3369 1 6 . 1 1 11 11 VAL CA C 11 66.930 66.930 67.210 -0.280 18713 3370 1 6 . 1 1 11 11 VAL CB C 11 31.520 31.520 31.185 0.335 18713 3371 1 6 . 1 1 11 11 VAL H H 11 8.180 8.180 8.133 0.047 18713 3372 1 6 . 1 1 12 12 LYS N N 12 121.880 121.880 119.861 2.019 18713 3373 1 6 . 1 1 12 12 LYS HA H 12 3.998 3.998 3.911 0.087 18713 3374 1 6 . 1 1 12 12 LYS C C 12 176.790 176.790 178.941 -2.151 18713 3375 1 6 . 1 1 12 12 LYS CA C 12 58.950 58.950 60.097 -1.147 18713 3376 1 6 . 1 1 12 12 LYS CB C 12 32.120 32.120 31.942 0.178 18713 3377 1 6 . 1 1 12 12 LYS H H 12 7.668 7.668 8.335 -0.667 18713 3378 1 6 . 1 1 13 13 GLU N N 13 118.250 118.250 119.466 -1.216 18713 3379 1 6 . 1 1 13 13 GLU HA H 13 4.085 4.085 3.921 0.164 18713 3380 1 6 . 1 1 13 13 GLU C C 13 179.280 179.280 178.957 0.323 18713 3381 1 6 . 1 1 13 13 GLU CA C 13 59.650 59.650 59.401 0.249 18713 3382 1 6 . 1 1 13 13 GLU CB C 13 29.770 29.770 29.544 0.226 18713 3383 1 6 . 1 1 13 13 GLU H H 13 8.149 8.149 8.011 0.138 18713 3384 1 6 . 1 1 14 14 VAL N N 14 117.450 117.450 119.685 -2.235 18713 3385 1 6 . 1 1 14 14 VAL HA H 14 4.007 4.007 3.360 0.647 18713 3386 1 6 . 1 1 14 14 VAL C C 14 178.350 178.350 177.577 0.773 18713 3387 1 6 . 1 1 14 14 VAL CA C 14 66.220 66.220 66.290 -0.070 18713 3388 1 6 . 1 1 14 14 VAL CB C 14 31.250 31.250 31.600 -0.350 18713 3389 1 6 . 1 1 14 14 VAL H H 14 7.974 7.974 8.034 -0.060 18713 3390 1 6 . 1 1 15 15 THR N N 15 113.780 113.780 116.409 -2.629 18713 3391 1 6 . 1 1 15 15 THR HA H 15 3.771 3.771 3.630 0.141 18713 3392 1 6 . 1 1 15 15 THR C C 15 178.190 178.190 176.188 2.002 18713 3393 1 6 . 1 1 15 15 THR CA C 15 66.990 66.990 67.263 -0.273 18713 3394 1 6 . 1 1 15 15 THR CB C 15 68.590 68.590 68.172 0.418 18713 3395 1 6 . 1 1 15 15 THR H H 15 8.569 8.569 8.258 0.311 18713 3396 1 6 . 1 1 16 16 ASP N N 16 123.420 123.420 121.204 2.216 18713 3397 1 6 . 1 1 16 16 ASP HA H 16 4.545 4.545 4.350 0.195 18713 3398 1 6 . 1 1 16 16 ASP C C 16 178.450 178.450 177.948 0.502 18713 3399 1 6 . 1 1 16 16 ASP CA C 16 57.410 57.410 57.185 0.225 18713 3400 1 6 . 1 1 16 16 ASP CB C 16 39.880 39.880 40.067 -0.187 18713 3401 1 6 . 1 1 16 16 ASP H H 16 8.664 8.664 8.246 0.418 18713 3402 1 6 . 1 1 17 17 GLU N N 17 120.180 120.180 118.115 2.065 18713 3403 1 6 . 1 1 17 17 GLU HA H 17 4.089 4.089 4.067 0.022 18713 3404 1 6 . 1 1 17 17 GLU C C 17 178.220 178.220 179.701 -1.481 18713 3405 1 6 . 1 1 17 17 GLU CA C 17 59.050 59.050 58.894 0.156 18713 3406 1 6 . 1 1 17 17 GLU CB C 17 28.850 28.850 29.409 -0.559 18713 3407 1 6 . 1 1 17 17 GLU H H 17 7.705 7.705 7.440 0.265 18713 3408 1 6 . 1 1 18 18 PHE N N 18 117.450 117.450 118.558 -1.108 18713 3409 1 6 . 1 1 18 18 PHE HA H 18 4.396 4.396 4.510 -0.114 18713 3410 1 6 . 1 1 18 18 PHE C C 18 177.130 177.130 178.083 -0.953 18713 3411 1 6 . 1 1 18 18 PHE CA C 18 60.720 60.720 58.278 2.442 18713 3412 1 6 . 1 1 18 18 PHE CB C 18 39.880 39.880 38.147 1.734 18713 3413 1 6 . 1 1 18 18 PHE H H 18 7.911 7.911 7.371 0.540 18713 3414 1 6 . 1 1 19 19 THR N N 19 115.450 115.450 114.338 1.112 18713 3415 1 6 . 1 1 19 19 THR HA H 19 4.510 4.510 4.369 0.141 18713 3416 1 6 . 1 1 19 19 THR C C 19 175.160 175.160 174.859 0.301 18713 3417 1 6 . 1 1 19 19 THR CA C 19 63.880 63.880 63.237 0.643 18713 3418 1 6 . 1 1 19 19 THR CB C 19 69.450 69.450 68.243 1.207 18713 3419 1 6 . 1 1 19 19 THR H H 19 8.270 8.270 8.688 -0.418 18713 3420 1 6 . 1 1 20 20 THR N N 20 114.370 114.370 116.551 -2.181 18713 3421 1 6 . 1 1 20 20 THR HA H 20 4.262 4.262 4.075 0.187 18713 3422 1 6 . 1 1 20 20 THR C C 20 175.280 175.280 175.945 -0.665 18713 3423 1 6 . 1 1 20 20 THR CA C 20 63.850 63.850 64.613 -0.763 18713 3424 1 6 . 1 1 20 20 THR CB C 20 69.250 69.250 68.573 0.677 18713 3425 1 6 . 1 1 20 20 THR H H 20 7.974 7.974 7.412 0.562 18713 3426 1 6 . 1 1 21 21 LYS N N 21 119.710 119.710 121.144 -1.434 18713 3427 1 6 . 1 1 21 21 LYS HA H 21 4.291 4.291 4.266 0.025 18713 3428 1 6 . 1 1 21 21 LYS C C 21 176.070 176.070 176.363 -0.293 18713 3429 1 6 . 1 1 21 21 LYS CA C 21 57.180 57.180 56.502 0.678 18713 3430 1 6 . 1 1 21 21 LYS CB C 21 32.830 32.830 31.769 1.061 18713 3431 1 6 . 1 1 21 21 LYS H H 21 7.519 7.519 7.899 -0.380 18713 3432 1 6 . 1 1 22 22 ASP N N 22 119.020 119.020 121.950 -2.930 18713 3433 1 6 . 1 1 22 22 ASP HA H 22 4.730 4.730 4.632 0.098 18713 3434 1 6 . 1 1 22 22 ASP C C 22 175.080 175.080 176.518 -1.438 18713 3435 1 6 . 1 1 22 22 ASP CA C 22 53.770 53.770 53.417 0.353 18713 3436 1 6 . 1 1 22 22 ASP CB C 22 39.990 39.990 39.347 0.643 18713 3437 1 6 . 1 1 22 22 ASP H H 22 7.841 7.841 7.773 0.068 18713 3438 1 6 . 1 1 23 23 GLN N N 23 120.720 120.720 117.855 2.865 18713 3439 1 6 . 1 1 23 23 GLN HA H 23 4.425 4.425 4.115 0.310 18713 3440 1 6 . 1 1 23 23 GLN C C 23 175.860 175.860 176.472 -0.612 18713 3441 1 6 . 1 1 23 23 GLN CA C 23 57.530 57.530 58.073 -0.543 18713 3442 1 6 . 1 1 23 23 GLN CB C 23 29.050 29.050 28.885 0.165 18713 3443 1 6 . 1 1 23 23 GLN H H 23 8.313 8.313 8.460 -0.147 18713 3444 1 6 . 1 1 24 24 ASP N N 24 119.150 119.150 114.613 4.537 18713 3445 1 6 . 1 1 24 24 ASP HA H 24 4.655 4.655 4.670 -0.015 18713 3446 1 6 . 1 1 24 24 ASP C C 24 174.840 174.840 174.777 0.063 18713 3447 1 6 . 1 1 24 24 ASP CA C 24 54.560 54.560 53.853 0.707 18713 3448 1 6 . 1 1 24 24 ASP CB C 24 41.290 41.290 41.756 -0.466 18713 3449 1 6 . 1 1 24 24 ASP H H 24 8.313 8.313 8.251 0.062 18713 3450 1 6 . 1 1 25 25 LEU N N 25 121.240 121.240 120.746 0.494 18713 3451 1 6 . 1 1 25 25 LEU HA H 25 4.602 4.602 4.247 0.355 18713 3452 1 6 . 1 1 25 25 LEU C C 25 176.550 176.550 176.866 -0.316 18713 3453 1 6 . 1 1 25 25 LEU CA C 25 55.060 55.060 55.506 -0.446 18713 3454 1 6 . 1 1 25 25 LEU CB C 25 43.520 43.520 42.937 0.583 18713 3455 1 6 . 1 1 25 25 LEU H H 25 7.572 7.572 7.729 -0.157 18713 3456 1 6 . 1 1 26 26 ARG N N 26 123.560 123.560 119.599 3.961 18713 3457 1 6 . 1 1 26 26 ARG HA H 26 4.787 4.787 4.669 0.118 18713 3458 1 6 . 1 1 26 26 ARG C C 26 174.040 174.040 174.311 -0.271 18713 3459 1 6 . 1 1 26 26 ARG CA C 26 54.010 54.010 55.019 -1.009 18713 3460 1 6 . 1 1 26 26 ARG CB C 26 33.170 33.170 33.377 -0.207 18713 3461 1 6 . 1 1 26 26 ARG H H 26 8.385 8.385 8.347 0.038 18713 3462 1 6 . 1 1 27 27 TRP N N 27 121.230 121.230 125.551 -4.321 18713 3463 1 6 . 1 1 27 27 TRP HA H 27 4.608 4.608 4.859 -0.251 18713 3464 1 6 . 1 1 27 27 TRP C C 27 176.280 176.280 176.510 -0.230 18713 3465 1 6 . 1 1 27 27 TRP CA C 27 56.110 56.110 56.965 -0.855 18713 3466 1 6 . 1 1 27 27 TRP CB C 27 30.350 30.350 29.765 0.585 18713 3467 1 6 . 1 1 27 27 TRP H H 27 8.824 8.824 8.788 0.036 18713 3468 1 6 . 1 1 28 28 GLN N N 28 122.270 122.270 124.103 -1.833 18713 3469 1 6 . 1 1 28 28 GLN HA H 28 4.163 4.163 4.588 -0.425 18713 3470 1 6 . 1 1 28 28 GLN C C 28 176.280 176.280 177.352 -1.072 18713 3471 1 6 . 1 1 28 28 GLN CA C 28 56.850 56.850 54.360 2.490 18713 3472 1 6 . 1 1 28 28 GLN CB C 28 32.830 32.830 29.502 3.328 18713 3473 1 6 . 1 1 28 28 GLN H H 28 8.427 8.427 8.093 0.334 18713 3474 1 6 . 1 1 29 29 SER HA H 29 4.276 4.276 4.170 0.106 18713 3475 1 6 . 1 1 29 29 SER CA C 29 63.180 63.180 61.938 1.242 18713 3476 1 6 . 1 1 29 29 SER CB C 29 62.930 62.930 63.013 -0.083 18713 3477 1 6 . 1 1 30 30 MET HA H 30 4.430 4.430 4.305 0.125 18713 3478 1 6 . 1 1 30 30 MET C C 30 178.450 178.450 177.652 0.798 18713 3479 1 6 . 1 1 30 30 MET CA C 30 57.760 57.760 58.423 -0.663 18713 3480 1 6 . 1 1 30 30 MET CB C 30 32.120 32.120 32.045 0.075 18713 3481 1 6 . 1 1 31 31 ALA N N 31 122.750 122.750 122.989 -0.239 18713 3482 1 6 . 1 1 31 31 ALA HA H 31 4.015 4.015 3.923 0.092 18713 3483 1 6 . 1 1 31 31 ALA C C 31 178.090 178.090 179.531 -1.441 18713 3484 1 6 . 1 1 31 31 ALA CA C 31 55.430 55.430 54.938 0.492 18713 3485 1 6 . 1 1 31 31 ALA CB C 31 18.590 18.590 17.808 0.782 18713 3486 1 6 . 1 1 31 31 ALA H H 31 7.619 7.619 7.958 -0.339 18713 3487 1 6 . 1 1 32 32 ILE N N 32 117.950 117.950 119.323 -1.373 18713 3488 1 6 . 1 1 32 32 ILE HA H 32 3.691 3.691 3.760 -0.069 18713 3489 1 6 . 1 1 32 32 ILE C C 32 178.410 178.410 177.955 0.455 18713 3490 1 6 . 1 1 32 32 ILE CA C 32 63.290 63.290 65.316 -2.026 18713 3491 1 6 . 1 1 32 32 ILE CB C 32 36.120 36.120 38.046 -1.926 18713 3492 1 6 . 1 1 32 32 ILE H H 32 7.503 7.503 7.349 0.154 18713 3493 1 6 . 1 1 33 33 MET N N 33 118.790 118.790 117.843 0.947 18713 3494 1 6 . 1 1 33 33 MET HA H 33 4.269 4.269 4.081 0.188 18713 3495 1 6 . 1 1 33 33 MET C C 33 177.970 177.970 177.799 0.171 18713 3496 1 6 . 1 1 33 33 MET CA C 33 57.670 57.670 58.958 -1.288 18713 3497 1 6 . 1 1 33 33 MET CB C 33 32.040 32.040 31.650 0.390 18713 3498 1 6 . 1 1 33 33 MET H H 33 8.034 8.034 7.820 0.214 18713 3499 1 6 . 1 1 34 34 ALA N N 34 122.470 122.470 122.595 -0.125 18713 3500 1 6 . 1 1 34 34 ALA HA H 34 3.944 3.944 4.073 -0.129 18713 3501 1 6 . 1 1 34 34 ALA C C 34 179.680 179.680 179.331 0.349 18713 3502 1 6 . 1 1 34 34 ALA CA C 34 55.290 55.290 54.962 0.328 18713 3503 1 6 . 1 1 34 34 ALA CB C 34 17.050 17.050 18.142 -1.092 18713 3504 1 6 . 1 1 34 34 ALA H H 34 8.007 8.007 7.812 0.195 18713 3505 1 6 . 1 1 35 35 LEU N N 35 118.310 118.310 119.810 -1.500 18713 3506 1 6 . 1 1 35 35 LEU HA H 35 3.945 3.945 4.167 -0.222 18713 3507 1 6 . 1 1 35 35 LEU C C 35 179.630 179.630 179.545 0.085 18713 3508 1 6 . 1 1 35 35 LEU CA C 35 57.880 57.880 58.075 -0.195 18713 3509 1 6 . 1 1 35 35 LEU CB C 35 42.710 42.710 41.386 1.324 18713 3510 1 6 . 1 1 35 35 LEU H H 35 8.003 8.003 8.042 -0.039 18713 3511 1 6 . 1 1 36 36 GLN N N 36 122.480 122.480 118.316 4.164 18713 3512 1 6 . 1 1 36 36 GLN HA H 36 3.718 3.718 4.087 -0.369 18713 3513 1 6 . 1 1 36 36 GLN C C 36 177.850 177.850 179.044 -1.194 18713 3514 1 6 . 1 1 36 36 GLN CA C 36 60.150 60.150 58.882 1.268 18713 3515 1 6 . 1 1 36 36 GLN CB C 36 28.150 28.150 28.049 0.101 18713 3516 1 6 . 1 1 36 36 GLN H H 36 8.532 8.532 8.307 0.225 18713 3517 1 6 . 1 1 37 37 GLU N N 37 120.790 120.790 119.713 1.077 18713 3518 1 6 . 1 1 37 37 GLU HA H 37 4.043 4.043 4.112 -0.069 18713 3519 1 6 . 1 1 37 37 GLU C C 37 179.190 179.190 178.877 0.313 18713 3520 1 6 . 1 1 37 37 GLU CA C 37 59.650 59.650 58.891 0.759 18713 3521 1 6 . 1 1 37 37 GLU CB C 37 28.120 28.120 29.358 -1.238 18713 3522 1 6 . 1 1 37 37 GLU H H 37 8.562 8.562 8.657 -0.095 18713 3523 1 6 . 1 1 38 38 ALA N N 38 121.430 121.430 122.947 -1.517 18713 3524 1 6 . 1 1 38 38 ALA HA H 38 4.228 4.228 3.896 0.332 18713 3525 1 6 . 1 1 38 38 ALA C C 38 179.740 179.740 179.379 0.361 18713 3526 1 6 . 1 1 38 38 ALA CA C 38 54.550 54.550 55.416 -0.866 18713 3527 1 6 . 1 1 38 38 ALA CB C 38 19.050 19.050 18.213 0.837 18713 3528 1 6 . 1 1 38 38 ALA H H 38 8.626 8.626 8.561 0.065 18713 3529 1 6 . 1 1 39 39 SER N N 39 115.350 115.350 113.997 1.353 18713 3530 1 6 . 1 1 39 39 SER HA H 39 4.159 4.159 4.219 -0.060 18713 3531 1 6 . 1 1 39 39 SER C C 39 174.490 174.490 176.912 -2.422 18713 3532 1 6 . 1 1 39 39 SER CA C 39 62.550 62.550 61.836 0.714 18713 3533 1 6 . 1 1 39 39 SER CB C 39 64.580 64.580 63.304 1.276 18713 3534 1 6 . 1 1 39 39 SER H H 39 8.160 8.160 8.327 -0.167 18713 3535 1 6 . 1 1 40 40 GLU N N 40 123.380 123.380 121.168 2.212 18713 3536 1 6 . 1 1 40 40 GLU HA H 40 3.545 3.545 4.143 -0.598 18713 3537 1 6 . 1 1 40 40 GLU C C 40 177.080 177.080 178.520 -1.440 18713 3538 1 6 . 1 1 40 40 GLU CA C 40 59.890 59.890 58.817 1.073 18713 3539 1 6 . 1 1 40 40 GLU CB C 40 28.150 28.150 28.944 -0.794 18713 3540 1 6 . 1 1 40 40 GLU H H 40 7.632 7.632 8.030 -0.398 18713 3541 1 6 . 1 1 41 41 ALA N N 41 120.090 120.090 122.647 -2.557 18713 3542 1 6 . 1 1 41 41 ALA HA H 41 4.007 4.007 4.103 -0.096 18713 3543 1 6 . 1 1 41 41 ALA C C 41 180.370 180.370 179.424 0.946 18713 3544 1 6 . 1 1 41 41 ALA CA C 41 54.930 54.930 54.702 0.228 18713 3545 1 6 . 1 1 41 41 ALA CB C 41 18.150 18.150 18.044 0.106 18713 3546 1 6 . 1 1 41 41 ALA H H 41 7.860 7.860 8.311 -0.451 18713 3547 1 6 . 1 1 42 42 TYR N N 42 120.400 120.400 119.824 0.576 18713 3548 1 6 . 1 1 42 42 TYR HA H 42 3.970 3.970 4.091 -0.121 18713 3549 1 6 . 1 1 42 42 TYR C C 42 177.220 177.220 177.600 -0.380 18713 3550 1 6 . 1 1 42 42 TYR CA C 42 60.350 60.350 61.877 -1.527 18713 3551 1 6 . 1 1 42 42 TYR CB C 42 38.450 38.450 38.683 -0.233 18713 3552 1 6 . 1 1 42 42 TYR H H 42 8.266 8.266 8.051 0.215 18713 3553 1 6 . 1 1 43 43 LEU N N 43 119.630 119.630 119.541 0.089 18713 3554 1 6 . 1 1 43 43 LEU HA H 43 3.812 3.812 3.915 -0.103 18713 3555 1 6 . 1 1 43 43 LEU C C 43 177.790 177.790 178.769 -0.979 18713 3556 1 6 . 1 1 43 43 LEU CA C 43 57.530 57.530 58.342 -0.812 18713 3557 1 6 . 1 1 43 43 LEU CB C 43 41.990 41.990 41.824 0.166 18713 3558 1 6 . 1 1 43 43 LEU H H 43 8.080 8.080 7.857 0.223 18713 3559 1 6 . 1 1 44 44 VAL N N 44 118.320 118.320 118.562 -0.242 18713 3560 1 6 . 1 1 44 44 VAL HA H 44 3.450 3.450 3.617 -0.167 18713 3561 1 6 . 1 1 44 44 VAL C C 44 177.960 177.960 178.319 -0.359 18713 3562 1 6 . 1 1 44 44 VAL CA C 44 67.150 67.150 66.898 0.252 18713 3563 1 6 . 1 1 44 44 VAL CB C 44 31.250 31.250 30.758 0.492 18713 3564 1 6 . 1 1 44 44 VAL H H 44 8.415 8.415 8.029 0.386 18713 3565 1 6 . 1 1 45 45 GLY N N 45 106.020 106.020 107.997 -1.977 18713 3566 1 6 . 1 1 45 45 GLY C C 45 176.070 176.070 176.169 -0.099 18713 3567 1 6 . 1 1 45 45 GLY CA C 45 47.410 47.410 47.082 0.328 18713 3568 1 6 . 1 1 45 45 GLY H H 45 7.747 7.747 7.888 -0.141 18713 3569 1 6 . 1 1 46 46 LEU N N 46 122.340 122.340 124.006 -1.666 18713 3570 1 6 . 1 1 46 46 LEU HA H 46 4.002 4.002 3.980 0.022 18713 3571 1 6 . 1 1 46 46 LEU C C 46 179.520 179.520 178.385 1.135 18713 3572 1 6 . 1 1 46 46 LEU CA C 46 57.410 57.410 57.434 -0.023 18713 3573 1 6 . 1 1 46 46 LEU CB C 46 42.350 42.350 41.982 0.368 18713 3574 1 6 . 1 1 46 46 LEU H H 46 7.802 7.802 7.949 -0.147 18713 3575 1 6 . 1 1 47 47 LEU N N 47 118.450 118.450 121.129 -2.679 18713 3576 1 6 . 1 1 47 47 LEU HA H 47 4.169 4.169 4.111 0.058 18713 3577 1 6 . 1 1 47 47 LEU C C 47 178.210 178.210 178.723 -0.513 18713 3578 1 6 . 1 1 47 47 LEU CA C 47 56.950 56.950 57.883 -0.933 18713 3579 1 6 . 1 1 47 47 LEU CB C 47 41.850 41.850 41.553 0.297 18713 3580 1 6 . 1 1 47 47 LEU H H 47 8.082 8.082 8.590 -0.508 18713 3581 1 6 . 1 1 48 48 GLU N N 48 116.980 116.980 116.464 0.516 18713 3582 1 6 . 1 1 48 48 GLU HA H 48 4.142 4.142 3.920 0.222 18713 3583 1 6 . 1 1 48 48 GLU C C 48 177.120 177.120 178.704 -1.584 18713 3584 1 6 . 1 1 48 48 GLU CA C 48 57.450 57.450 59.283 -1.833 18713 3585 1 6 . 1 1 48 48 GLU CB C 48 30.010 30.010 29.356 0.654 18713 3586 1 6 . 1 1 48 48 GLU H H 48 7.870 7.870 8.432 -0.562 18713 3587 1 6 . 1 1 49 49 HIS N N 49 114.660 114.660 118.624 -3.964 18713 3588 1 6 . 1 1 49 49 HIS HA H 49 4.878 4.878 4.395 0.483 18713 3589 1 6 . 1 1 49 49 HIS C C 49 174.070 174.070 176.948 -2.878 18713 3590 1 6 . 1 1 49 49 HIS CA C 49 55.760 55.760 58.681 -2.921 18713 3591 1 6 . 1 1 49 49 HIS CB C 49 29.880 29.880 30.393 -0.513 18713 3592 1 6 . 1 1 49 49 HIS H H 49 7.833 7.833 7.996 -0.163 18713 3593 1 6 . 1 1 50 50 THR N N 50 113.050 113.050 113.865 -0.815 18713 3594 1 6 . 1 1 50 50 THR HA H 50 4.571 4.571 4.157 0.414 18713 3595 1 6 . 1 1 50 50 THR C C 50 173.390 173.390 174.619 -1.229 18713 3596 1 6 . 1 1 50 50 THR CA C 50 61.880 61.880 64.030 -2.150 18713 3597 1 6 . 1 1 50 50 THR CB C 50 70.350 70.350 67.378 2.972 18713 3598 1 6 . 1 1 50 50 THR H H 50 7.871 7.871 8.350 -0.479 18713 3599 1 6 . 1 1 51 51 ASN N N 51 119.760 119.760 121.933 -2.173 18713 3600 1 6 . 1 1 51 51 ASN HA H 51 4.868 4.868 4.651 0.217 18713 3601 1 6 . 1 1 51 51 ASN C C 51 175.440 175.440 176.229 -0.789 18713 3602 1 6 . 1 1 51 51 ASN CA C 51 52.870 52.870 54.574 -1.704 18713 3603 1 6 . 1 1 51 51 ASN CB C 51 38.470 38.470 38.708 -0.238 18713 3604 1 6 . 1 1 51 51 ASN H H 51 8.477 8.477 8.462 0.015 18713 3605 1 6 . 1 1 52 52 LEU N N 52 121.360 121.360 122.921 -1.561 18713 3606 1 6 . 1 1 52 52 LEU HA H 52 4.144 4.144 4.064 0.080 18713 3607 1 6 . 1 1 52 52 LEU C C 52 177.440 177.440 178.277 -0.837 18713 3608 1 6 . 1 1 52 52 LEU CA C 52 56.880 56.880 57.751 -0.871 18713 3609 1 6 . 1 1 52 52 LEU CB C 52 42.240 42.240 42.041 0.199 18713 3610 1 6 . 1 1 52 52 LEU H H 52 8.089 8.089 7.667 0.422 18713 3611 1 6 . 1 1 53 53 LEU N N 53 119.350 119.350 115.043 4.307 18713 3612 1 6 . 1 1 53 53 LEU HA H 53 4.255 4.255 4.014 0.241 18713 3613 1 6 . 1 1 53 53 LEU C C 53 177.360 177.360 178.703 -1.343 18713 3614 1 6 . 1 1 53 53 LEU CA C 53 56.010 56.010 57.096 -1.086 18713 3615 1 6 . 1 1 53 53 LEU CB C 53 41.770 41.770 39.607 2.163 18713 3616 1 6 . 1 1 53 53 LEU H H 53 8.165 8.165 7.459 0.706 18713 3617 1 6 . 1 1 54 54 ALA N N 54 122.310 122.310 121.976 0.334 18713 3618 1 6 . 1 1 54 54 ALA HA H 54 4.222 4.222 4.051 0.171 18713 3619 1 6 . 1 1 54 54 ALA C C 54 177.620 177.620 178.835 -1.215 18713 3620 1 6 . 1 1 54 54 ALA CA C 54 53.250 53.250 54.727 -1.477 18713 3621 1 6 . 1 1 54 54 ALA CB C 54 18.820 18.820 18.830 -0.010 18713 3622 1 6 . 1 1 54 54 ALA H H 54 7.969 7.969 7.458 0.511 18713 3623 1 6 . 1 1 55 55 LEU N N 55 117.930 117.930 116.282 1.648 18713 3624 1 6 . 1 1 55 55 LEU HA H 55 4.233 4.233 4.293 -0.060 18713 3625 1 6 . 1 1 55 55 LEU C C 55 176.740 176.740 179.021 -2.281 18713 3626 1 6 . 1 1 55 55 LEU CA C 55 55.420 55.420 56.528 -1.108 18713 3627 1 6 . 1 1 55 55 LEU CB C 55 42.350 42.350 42.446 -0.096 18713 3628 1 6 . 1 1 55 55 LEU H H 55 7.696 7.696 8.184 -0.488 18713 3629 1 6 . 1 1 56 56 HIS N N 56 117.120 117.120 117.945 -0.825 18713 3630 1 6 . 1 1 56 56 HIS HA H 56 4.665 4.665 4.390 0.275 18713 3631 1 6 . 1 1 56 56 HIS C C 56 174.150 174.150 175.255 -1.105 18713 3632 1 6 . 1 1 56 56 HIS CA C 56 55.420 55.420 58.563 -3.143 18713 3633 1 6 . 1 1 56 56 HIS CB C 56 29.250 29.250 30.520 -1.270 18713 3634 1 6 . 1 1 56 56 HIS H H 56 8.196 8.196 7.748 0.448 18713 3635 1 6 . 1 1 57 57 LEU N N 57 120.690 120.690 118.787 1.903 18713 3636 1 6 . 1 1 57 57 LEU HA H 57 4.414 4.414 4.431 -0.017 18713 3637 1 6 . 1 1 57 57 LEU C C 57 175.760 175.760 174.967 0.793 18713 3638 1 6 . 1 1 57 57 LEU CA C 57 55.410 55.410 53.661 1.749 18713 3639 1 6 . 1 1 57 57 LEU CB C 57 42.470 42.470 44.991 -2.521 18713 3640 1 6 . 1 1 57 57 LEU H H 57 7.989 7.989 7.447 0.542 18713 3641 1 6 . 1 1 58 58 VAL N N 58 119.740 119.740 120.236 -0.496 18713 3642 1 6 . 1 1 58 58 VAL HA H 58 4.485 4.485 4.474 0.011 18713 3643 1 6 . 1 1 58 58 VAL C C 58 173.880 173.880 173.911 -0.031 18713 3644 1 6 . 1 1 58 58 VAL CA C 58 59.520 59.520 58.330 1.190 18713 3645 1 6 . 1 1 58 58 VAL CB C 58 32.710 32.710 33.368 -0.658 18713 3646 1 6 . 1 1 58 58 VAL H H 58 7.848 7.848 8.231 -0.383 18713 3647 1 6 . 1 1 59 59 PRO HA H 59 4.449 4.449 4.532 -0.083 18713 3648 1 6 . 1 1 59 59 PRO C C 59 174.250 174.250 176.822 -2.572 18713 3649 1 6 . 1 1 59 59 PRO CA C 59 63.200 63.200 63.111 0.089 18713 3650 1 6 . 1 1 59 59 PRO CB C 59 32.120 32.120 32.592 -0.472 18713 3651 1 6 . 1 1 60 60 ARG N N 60 121.450 121.450 122.868 -1.418 18713 3652 1 6 . 1 1 60 60 ARG HA H 60 4.335 4.335 4.093 0.242 18713 3653 1 6 . 1 1 60 60 ARG C C 60 176.620 176.620 177.631 -1.011 18713 3654 1 6 . 1 1 60 60 ARG CA C 60 56.460 56.460 57.395 -0.935 18713 3655 1 6 . 1 1 60 60 ARG CB C 60 30.720 30.720 30.312 0.408 18713 3656 1 6 . 1 1 60 60 ARG H H 60 8.397 8.397 8.467 -0.070 18713 3657 1 6 . 1 1 61 61 GLY N N 61 110.770 110.770 107.263 3.507 18713 3658 1 6 . 1 1 61 61 GLY C C 61 174.090 174.090 175.138 -1.048 18713 3659 1 6 . 1 1 61 61 GLY CA C 61 45.650 45.650 46.267 -0.617 18713 3660 1 6 . 1 1 61 61 GLY H H 61 8.541 8.541 8.341 0.200 18713 3661 1 6 . 1 1 62 62 SER N N 62 115.890 115.890 115.496 0.394 18713 3662 1 6 . 1 1 62 62 SER HA H 62 4.470 4.470 4.414 0.056 18713 3663 1 6 . 1 1 62 62 SER C C 62 174.270 174.270 175.789 -1.519 18713 3664 1 6 . 1 1 62 62 SER CA C 62 58.750 58.750 60.588 -1.838 18713 3665 1 6 . 1 1 62 62 SER CB C 62 64.100 64.100 63.398 0.702 18713 3666 1 6 . 1 1 62 62 SER H H 62 8.145 8.145 8.142 0.003 18713 3667 1 6 . 1 1 63 63 LYS N N 63 122.680 122.680 118.841 3.839 18713 3668 1 6 . 1 1 63 63 LYS HA H 63 4.372 4.372 4.439 -0.067 18713 3669 1 6 . 1 1 63 63 LYS C C 63 175.950 175.950 175.239 0.711 18713 3670 1 6 . 1 1 63 63 LYS CA C 63 56.120 56.120 55.524 0.596 18713 3671 1 6 . 1 1 63 63 LYS CB C 63 32.830 32.830 33.347 -0.517 18713 3672 1 6 . 1 1 63 63 LYS H H 63 8.336 8.336 7.938 0.398 18713 3673 1 6 . 1 1 64 64 ARG N N 64 120.930 120.930 121.299 -0.369 18713 3674 1 6 . 1 1 64 64 ARG HA H 64 4.395 4.395 4.194 0.201 18713 3675 1 6 . 1 1 64 64 ARG C C 64 175.550 175.550 175.746 -0.196 18713 3676 1 6 . 1 1 64 64 ARG CA C 64 56.350 56.350 57.267 -0.917 18713 3677 1 6 . 1 1 64 64 ARG CB C 64 30.950 30.950 29.932 1.018 18713 3678 1 6 . 1 1 64 64 ARG H H 64 8.187 8.187 7.801 0.386 18713 3679 1 6 . 1 1 65 65 ILE N N 65 121.120 121.120 124.973 -3.853 18713 3680 1 6 . 1 1 65 65 ILE HA H 65 4.255 4.255 4.171 0.084 18713 3681 1 6 . 1 1 65 65 ILE C C 65 175.880 175.880 175.409 0.471 18713 3682 1 6 . 1 1 65 65 ILE CA C 65 61.170 61.170 61.271 -0.101 18713 3683 1 6 . 1 1 65 65 ILE CB C 65 38.820 38.820 38.733 0.087 18713 3684 1 6 . 1 1 65 65 ILE H H 65 8.165 8.165 8.563 -0.398 18713 3685 1 6 . 1 1 66 66 SER N N 66 120.720 120.720 114.158 6.562 18713 3686 1 6 . 1 1 66 66 SER HA H 66 4.511 4.511 4.126 0.385 18713 3687 1 6 . 1 1 66 66 SER C C 66 174.490 174.490 175.623 -1.133 18713 3688 1 6 . 1 1 66 66 SER CA C 66 58.580 58.580 59.086 -0.506 18713 3689 1 6 . 1 1 66 66 SER CB C 66 64.110 64.110 62.398 1.712 18713 3690 1 6 . 1 1 66 66 SER H H 66 8.346 8.346 8.509 -0.163 18713 3691 1 6 . 1 1 67 67 GLY N N 67 110.050 110.050 107.789 2.261 18713 3692 1 6 . 1 1 67 67 GLY C C 67 175.840 175.840 174.394 1.446 18713 3693 1 6 . 1 1 67 67 GLY CA C 67 45.480 45.480 45.985 -0.505 18713 3694 1 6 . 1 1 67 67 GLY H H 67 8.275 8.275 8.570 -0.295 18713 3695 1 6 . 1 1 68 68 LEU N N 68 120.990 120.990 121.557 -0.567 18713 3696 1 6 . 1 1 68 68 LEU HA H 68 4.492 4.492 4.718 -0.226 18713 3697 1 6 . 1 1 68 68 LEU C C 68 177.450 177.450 176.634 0.816 18713 3698 1 6 . 1 1 68 68 LEU CA C 68 55.410 55.410 53.513 1.897 18713 3699 1 6 . 1 1 68 68 LEU CB C 68 42.710 42.710 41.583 1.127 18713 3700 1 6 . 1 1 68 68 LEU H H 68 8.057 8.057 7.647 0.410 18713 3701 1 6 . 1 1 70 70 TYR HA H 70 4.039 4.039 4.165 -0.126 18713 3702 1 6 . 1 1 70 70 TYR CA C 70 61.650 61.650 62.222 -0.572 18713 3703 1 6 . 1 1 70 70 TYR CB C 70 38.250 38.250 37.440 0.810 18713 3704 1 6 . 1 1 71 71 GLU N N 71 117.580 117.580 119.534 -1.954 18713 3705 1 6 . 1 1 71 71 GLU HA H 71 4.173 4.173 4.088 0.085 18713 3706 1 6 . 1 1 71 71 GLU CA C 71 60.120 60.120 59.756 0.364 18713 3707 1 6 . 1 1 71 71 GLU CB C 71 29.080 29.080 28.909 0.171 18713 3708 1 6 . 1 1 71 71 GLU H H 71 8.999 8.999 8.809 0.190 18713 3709 1 6 . 1 1 72 72 GLU N N 72 119.620 119.620 119.267 0.353 18713 3710 1 6 . 1 1 72 72 GLU HA H 72 4.165 4.165 4.088 0.077 18713 3711 1 6 . 1 1 72 72 GLU C C 72 178.090 178.090 179.422 -1.332 18713 3712 1 6 . 1 1 72 72 GLU CA C 72 58.350 58.350 59.294 -0.944 18713 3713 1 6 . 1 1 72 72 GLU CB C 72 29.880 29.880 29.472 0.408 18713 3714 1 6 . 1 1 72 72 GLU H H 72 7.760 7.760 7.814 -0.054 18713 3715 1 6 . 1 1 73 73 VAL N N 73 117.510 117.510 119.397 -1.887 18713 3716 1 6 . 1 1 73 73 VAL HA H 73 3.757 3.757 3.677 0.080 18713 3717 1 6 . 1 1 73 73 VAL C C 73 176.620 176.620 178.448 -1.828 18713 3718 1 6 . 1 1 73 73 VAL CA C 73 65.450 65.450 66.287 -0.837 18713 3719 1 6 . 1 1 73 73 VAL CB C 73 31.540 31.540 31.096 0.444 18713 3720 1 6 . 1 1 73 73 VAL H H 73 7.869 7.869 8.279 -0.410 18713 3721 1 6 . 1 1 74 74 ARG N N 74 120.440 120.440 120.008 0.432 18713 3722 1 6 . 1 1 74 74 ARG HA H 74 3.649 3.649 4.043 -0.394 18713 3723 1 6 . 1 1 74 74 ARG C C 74 176.860 176.860 178.660 -1.800 18713 3724 1 6 . 1 1 74 74 ARG CA C 74 59.950 59.950 60.055 -0.105 18713 3725 1 6 . 1 1 74 74 ARG CB C 74 30.070 30.070 30.081 -0.011 18713 3726 1 6 . 1 1 74 74 ARG H H 74 8.335 8.335 8.534 -0.199 18713 3727 1 6 . 1 1 75 75 ALA N N 75 119.490 119.490 121.676 -2.186 18713 3728 1 6 . 1 1 75 75 ALA HA H 75 4.157 4.157 4.225 -0.068 18713 3729 1 6 . 1 1 75 75 ALA C C 75 180.380 180.380 179.845 0.535 18713 3730 1 6 . 1 1 75 75 ALA CA C 75 55.540 55.540 54.868 0.672 18713 3731 1 6 . 1 1 75 75 ALA CB C 75 18.320 18.320 18.303 0.017 18713 3732 1 6 . 1 1 75 75 ALA H H 75 7.725 7.725 8.345 -0.620 18713 3733 1 6 . 1 1 76 76 VAL N N 76 116.910 116.910 119.440 -2.530 18713 3734 1 6 . 1 1 76 76 VAL HA H 76 4.125 4.125 3.588 0.537 18713 3735 1 6 . 1 1 76 76 VAL C C 76 178.340 178.340 177.758 0.582 18713 3736 1 6 . 1 1 76 76 VAL CA C 76 64.950 64.950 66.472 -1.522 18713 3737 1 6 . 1 1 76 76 VAL CB C 76 31.820 31.820 31.791 0.029 18713 3738 1 6 . 1 1 76 76 VAL H H 76 7.814 7.814 8.020 -0.206 18713 3739 1 6 . 1 1 77 77 LEU N N 77 121.020 121.020 120.144 0.876 18713 3740 1 6 . 1 1 77 77 LEU HA H 77 4.425 4.425 3.892 0.533 18713 3741 1 6 . 1 1 77 77 LEU C C 77 177.930 177.930 178.469 -0.539 18713 3742 1 6 . 1 1 77 77 LEU CA C 77 57.250 57.250 58.064 -0.814 18713 3743 1 6 . 1 1 77 77 LEU CB C 77 43.010 43.010 41.419 1.591 18713 3744 1 6 . 1 1 77 77 LEU H H 77 8.389 8.389 8.261 0.128 18713 3745 1 6 . 1 1 78 78 LYS N N 78 120.530 120.530 120.477 0.053 18713 3746 1 6 . 1 1 78 78 LYS HA H 78 3.907 3.907 4.041 -0.134 18713 3747 1 6 . 1 1 78 78 LYS C C 78 177.320 177.320 178.411 -1.091 18713 3748 1 6 . 1 1 78 78 LYS CA C 78 61.350 61.350 60.517 0.833 18713 3749 1 6 . 1 1 78 78 LYS CB C 78 32.450 32.450 32.057 0.393 18713 3750 1 6 . 1 1 78 78 LYS H H 78 8.757 8.757 8.307 0.450 18713 3751 1 6 . 1 1 79 79 SER N N 79 113.040 113.040 115.292 -2.252 18713 3752 1 6 . 1 1 79 79 SER HA H 79 4.270 4.270 4.124 0.146 18713 3753 1 6 . 1 1 79 79 SER C C 79 177.320 177.320 176.547 0.773 18713 3754 1 6 . 1 1 79 79 SER CA C 79 62.250 62.250 61.676 0.574 18713 3755 1 6 . 1 1 79 79 SER CB C 79 63.050 63.050 62.913 0.138 18713 3756 1 6 . 1 1 79 79 SER H H 79 8.055 8.055 7.677 0.378 18713 3757 1 6 . 1 1 80 80 PHE N N 80 123.520 123.520 123.674 -0.154 18713 3758 1 6 . 1 1 80 80 PHE HA H 80 4.255 4.255 4.247 0.008 18713 3759 1 6 . 1 1 80 80 PHE C C 80 176.480 176.480 177.206 -0.726 18713 3760 1 6 . 1 1 80 80 PHE CA C 80 60.650 60.650 61.197 -0.547 18713 3761 1 6 . 1 1 80 80 PHE CB C 80 39.450 39.450 38.897 0.553 18713 3762 1 6 . 1 1 80 80 PHE H H 80 7.734 7.734 7.871 -0.137 18713 3763 1 6 . 1 1 81 81 LEU N N 81 119.370 119.370 119.464 -0.094 18713 3764 1 6 . 1 1 81 81 LEU HA H 81 3.558 3.558 3.457 0.101 18713 3765 1 6 . 1 1 81 81 LEU C C 81 178.280 178.280 179.156 -0.876 18713 3766 1 6 . 1 1 81 81 LEU CA C 81 57.650 57.650 58.261 -0.611 18713 3767 1 6 . 1 1 81 81 LEU CB C 81 42.750 42.750 41.594 1.156 18713 3768 1 6 . 1 1 81 81 LEU H H 81 8.693 8.693 9.013 -0.320 18713 3769 1 6 . 1 1 82 82 GLU N N 82 118.350 118.350 118.572 -0.222 18713 3770 1 6 . 1 1 82 82 GLU HA H 82 3.785 3.785 3.888 -0.103 18713 3771 1 6 . 1 1 82 82 GLU C C 82 177.870 177.870 179.200 -1.330 18713 3772 1 6 . 1 1 82 82 GLU CA C 82 60.550 60.550 59.442 1.108 18713 3773 1 6 . 1 1 82 82 GLU CB C 82 29.280 29.280 28.911 0.369 18713 3774 1 6 . 1 1 82 82 GLU H H 82 8.869 8.869 8.690 0.179 18713 3775 1 6 . 1 1 83 83 SER N N 83 113.610 113.610 115.001 -1.391 18713 3776 1 6 . 1 1 83 83 SER HA H 83 4.165 4.165 4.163 0.002 18713 3777 1 6 . 1 1 83 83 SER C C 83 177.830 177.830 176.697 1.133 18713 3778 1 6 . 1 1 83 83 SER CA C 83 61.150 61.150 61.443 -0.293 18713 3779 1 6 . 1 1 83 83 SER CB C 83 62.750 62.750 62.761 -0.011 18713 3780 1 6 . 1 1 83 83 SER H H 83 7.474 7.474 8.303 -0.829 18713 3781 1 6 . 1 1 84 84 VAL N N 84 121.040 121.040 122.342 -1.302 18713 3782 1 6 . 1 1 84 84 VAL HA H 84 3.660 3.660 3.575 0.085 18713 3783 1 6 . 1 1 84 84 VAL C C 84 179.270 179.270 178.097 1.173 18713 3784 1 6 . 1 1 84 84 VAL CA C 84 65.750 65.750 66.647 -0.897 18713 3785 1 6 . 1 1 84 84 VAL CB C 84 32.030 32.030 31.136 0.894 18713 3786 1 6 . 1 1 84 84 VAL H H 84 7.668 7.668 8.025 -0.357 18713 3787 1 6 . 1 1 85 85 ILE N N 85 123.350 123.350 119.946 3.404 18713 3788 1 6 . 1 1 85 85 ILE HA H 85 3.537 3.537 3.543 -0.006 18713 3789 1 6 . 1 1 85 85 ILE C C 85 176.550 176.550 177.993 -1.443 18713 3790 1 6 . 1 1 85 85 ILE CA C 85 66.710 66.710 65.513 1.197 18713 3791 1 6 . 1 1 85 85 ILE CB C 85 36.210 36.210 37.357 -1.147 18713 3792 1 6 . 1 1 85 85 ILE H H 85 9.086 9.086 8.000 1.086 18713 3793 1 6 . 1 1 86 86 ARG N N 86 120.150 120.150 119.326 0.824 18713 3794 1 6 . 1 1 86 86 ARG HA H 86 3.802 3.802 3.980 -0.178 18713 3795 1 6 . 1 1 86 86 ARG C C 86 178.920 178.920 179.071 -0.151 18713 3796 1 6 . 1 1 86 86 ARG CA C 86 59.980 59.980 59.256 0.724 18713 3797 1 6 . 1 1 86 86 ARG CB C 86 29.650 29.650 29.427 0.223 18713 3798 1 6 . 1 1 86 86 ARG H H 86 8.125 8.125 7.686 0.439 18713 3799 1 6 . 1 1 87 87 ASP N N 87 118.810 118.810 119.921 -1.111 18713 3800 1 6 . 1 1 87 87 ASP HA H 87 4.537 4.537 4.500 0.037 18713 3801 1 6 . 1 1 87 87 ASP C C 87 178.050 178.050 178.751 -0.701 18713 3802 1 6 . 1 1 87 87 ASP CA C 87 57.140 57.140 56.969 0.171 18713 3803 1 6 . 1 1 87 87 ASP CB C 87 40.520 40.520 40.269 0.251 18713 3804 1 6 . 1 1 87 87 ASP H H 87 7.668 7.668 8.335 -0.667 18713 3805 1 6 . 1 1 88 88 SER N N 88 119.350 119.350 116.326 3.024 18713 3806 1 6 . 1 1 88 88 SER HA H 88 4.166 4.166 4.811 -0.645 18713 3807 1 6 . 1 1 88 88 SER C C 88 175.350 175.350 176.626 -1.276 18713 3808 1 6 . 1 1 88 88 SER CA C 88 57.170 57.170 61.174 -4.004 18713 3809 1 6 . 1 1 88 88 SER CB C 88 64.050 64.050 63.037 1.013 18713 3810 1 6 . 1 1 88 88 SER H H 88 8.506 8.506 8.282 0.224 18713 3811 1 6 . 1 1 89 89 VAL N N 89 121.240 121.240 122.334 -1.094 18713 3812 1 6 . 1 1 89 89 VAL HA H 89 3.611 3.611 3.955 -0.344 18713 3813 1 6 . 1 1 89 89 VAL C C 89 177.440 177.440 178.482 -1.042 18713 3814 1 6 . 1 1 89 89 VAL CA C 89 65.990 65.990 66.594 -0.604 18713 3815 1 6 . 1 1 89 89 VAL CB C 89 31.240 31.240 30.924 0.316 18713 3816 1 6 . 1 1 89 89 VAL H H 89 8.505 8.505 8.850 -0.345 18713 3817 1 6 . 1 1 90 90 THR N N 90 117.040 117.040 117.879 -0.839 18713 3818 1 6 . 1 1 90 90 THR HA H 90 4.013 4.013 3.957 0.056 18713 3819 1 6 . 1 1 90 90 THR C C 90 177.410 177.410 177.083 0.327 18713 3820 1 6 . 1 1 90 90 THR CA C 90 66.550 66.550 67.371 -0.821 18713 3821 1 6 . 1 1 90 90 THR CB C 90 68.220 68.220 68.554 -0.334 18713 3822 1 6 . 1 1 90 90 THR H H 90 8.016 8.016 7.652 0.364 18713 3823 1 6 . 1 1 91 91 TYR N N 91 122.770 122.770 120.462 2.308 18713 3824 1 6 . 1 1 91 91 TYR HA H 91 4.162 4.162 4.384 -0.222 18713 3825 1 6 . 1 1 91 91 TYR C C 91 178.180 178.180 178.550 -0.370 18713 3826 1 6 . 1 1 91 91 TYR CA C 91 62.470 62.470 61.361 1.109 18713 3827 1 6 . 1 1 91 91 TYR CB C 91 38.030 38.030 37.865 0.165 18713 3828 1 6 . 1 1 91 91 TYR H H 91 7.822 7.822 8.279 -0.457 18713 3829 1 6 . 1 1 92 92 THR N N 92 119.350 119.350 113.659 5.691 18713 3830 1 6 . 1 1 92 92 THR HA H 92 3.678 3.678 4.061 -0.383 18713 3831 1 6 . 1 1 92 92 THR C C 92 175.880 175.880 177.202 -1.322 18713 3832 1 6 . 1 1 92 92 THR CA C 92 67.390 67.390 66.243 1.147 18713 3833 1 6 . 1 1 92 92 THR CB C 92 69.190 69.190 68.421 0.769 18713 3834 1 6 . 1 1 92 92 THR H H 92 8.160 8.160 8.849 -0.689 18713 3835 1 6 . 1 1 93 93 GLU N N 93 118.840 118.840 122.259 -3.419 18713 3836 1 6 . 1 1 93 93 GLU HA H 93 4.238 4.238 4.058 0.180 18713 3837 1 6 . 1 1 93 93 GLU C C 93 181.340 181.340 179.263 2.077 18713 3838 1 6 . 1 1 93 93 GLU CA C 93 58.290 58.290 59.381 -1.091 18713 3839 1 6 . 1 1 93 93 GLU CB C 93 28.890 28.890 28.862 0.028 18713 3840 1 6 . 1 1 93 93 GLU H H 93 8.514 8.514 8.908 -0.394 18713 3841 1 6 . 1 1 94 94 HIS N N 94 120.870 120.870 120.283 0.587 18713 3842 1 6 . 1 1 94 94 HIS HA H 94 4.465 4.465 4.389 0.076 18713 3843 1 6 . 1 1 94 94 HIS C C 94 175.390 175.390 175.840 -0.450 18713 3844 1 6 . 1 1 94 94 HIS CA C 94 58.250 58.250 58.982 -0.732 18713 3845 1 6 . 1 1 94 94 HIS CB C 94 28.110 28.110 30.129 -2.019 18713 3846 1 6 . 1 1 94 94 HIS H H 94 8.531 8.531 8.171 0.360 18713 3847 1 6 . 1 1 95 95 ALA N N 95 121.010 121.010 119.496 1.514 18713 3848 1 6 . 1 1 95 95 ALA HA H 95 4.335 4.335 4.495 -0.160 18713 3849 1 6 . 1 1 95 95 ALA C C 95 175.380 175.380 175.792 -0.412 18713 3850 1 6 . 1 1 95 95 ALA CA C 95 51.750 51.750 51.478 0.272 18713 3851 1 6 . 1 1 95 95 ALA CB C 95 18.710 18.710 19.377 -0.667 18713 3852 1 6 . 1 1 95 95 ALA H H 95 7.525 7.525 7.659 -0.134 18713 3853 1 6 . 1 1 96 96 LYS N N 96 115.990 115.990 114.126 1.864 18713 3854 1 6 . 1 1 96 96 LYS HA H 96 3.955 3.955 3.816 0.139 18713 3855 1 6 . 1 1 96 96 LYS C C 96 175.020 175.020 175.988 -0.968 18713 3856 1 6 . 1 1 96 96 LYS CA C 96 56.590 56.590 57.357 -0.767 18713 3857 1 6 . 1 1 96 96 LYS CB C 96 28.650 28.650 29.203 -0.553 18713 3858 1 6 . 1 1 96 96 LYS H H 96 8.232 8.232 8.079 0.153 18713 3859 1 6 . 1 1 97 97 ARG N N 97 116.850 116.850 119.594 -2.744 18713 3860 1 6 . 1 1 97 97 ARG HA H 97 4.651 4.651 4.398 0.253 18713 3861 1 6 . 1 1 97 97 ARG C C 97 175.250 175.250 175.106 0.144 18713 3862 1 6 . 1 1 97 97 ARG CA C 97 55.010 55.010 55.125 -0.115 18713 3863 1 6 . 1 1 97 97 ARG CB C 97 35.170 35.170 32.766 2.404 18713 3864 1 6 . 1 1 97 97 ARG H H 97 7.685 7.685 8.378 -0.693 18713 3865 1 6 . 1 1 98 98 LYS N N 98 115.990 115.990 120.010 -4.020 18713 3866 1 6 . 1 1 98 98 LYS HA H 98 4.409 4.409 4.575 -0.166 18713 3867 1 6 . 1 1 98 98 LYS C C 98 174.320 174.320 174.568 -0.248 18713 3868 1 6 . 1 1 98 98 LYS CA C 98 54.500 54.500 55.659 -1.159 18713 3869 1 6 . 1 1 98 98 LYS CB C 98 33.590 33.590 31.766 1.824 18713 3870 1 6 . 1 1 98 98 LYS H H 98 8.232 8.232 8.395 -0.163 18713 3871 1 6 . 1 1 99 99 THR N N 99 114.310 114.310 115.142 -0.832 18713 3872 1 6 . 1 1 99 99 THR HA H 99 4.769 4.769 4.770 -0.001 18713 3873 1 6 . 1 1 99 99 THR C C 99 172.170 172.170 172.679 -0.509 18713 3874 1 6 . 1 1 99 99 THR CA C 99 60.510 60.510 61.724 -1.214 18713 3875 1 6 . 1 1 99 99 THR CB C 99 70.180 70.180 72.229 -2.049 18713 3876 1 6 . 1 1 99 99 THR H H 99 6.768 6.768 7.803 -1.035 18713 3877 1 6 . 1 1 100 100 VAL N N 100 128.820 128.820 123.800 5.020 18713 3878 1 6 . 1 1 100 100 VAL HA H 100 3.987 3.987 4.205 -0.218 18713 3879 1 6 . 1 1 100 100 VAL C C 100 175.690 175.690 174.775 0.915 18713 3880 1 6 . 1 1 100 100 VAL CA C 100 61.950 61.950 60.725 1.225 18713 3881 1 6 . 1 1 100 100 VAL CB C 100 32.290 32.290 33.016 -0.726 18713 3882 1 6 . 1 1 100 100 VAL H H 100 8.690 8.690 8.984 -0.294 18713 3883 1 6 . 1 1 101 101 THR N N 101 118.310 118.310 115.896 2.414 18713 3884 1 6 . 1 1 101 101 THR HA H 101 4.798 4.798 4.682 0.116 18713 3885 1 6 . 1 1 101 101 THR C C 101 176.460 176.460 175.209 1.251 18713 3886 1 6 . 1 1 101 101 THR CA C 101 59.990 59.990 59.056 0.934 18713 3887 1 6 . 1 1 101 101 THR CB C 101 72.550 72.550 71.509 1.041 18713 3888 1 6 . 1 1 101 101 THR H H 101 9.263 9.263 8.334 0.929 18713 3889 1 6 . 1 1 102 102 SER N N 102 115.810 115.810 118.626 -2.816 18713 3890 1 6 . 1 1 102 102 SER HA H 102 3.913 3.913 4.130 -0.217 18713 3891 1 6 . 1 1 102 102 SER C C 102 175.210 175.210 175.562 -0.352 18713 3892 1 6 . 1 1 102 102 SER CA C 102 61.850 61.850 61.334 0.516 18713 3893 1 6 . 1 1 102 102 SER CB C 102 61.850 61.850 62.678 -0.828 18713 3894 1 6 . 1 1 102 102 SER H H 102 9.148 9.148 8.875 0.273 18713 3895 1 6 . 1 1 103 103 LEU N N 103 121.540 121.540 123.958 -2.418 18713 3896 1 6 . 1 1 103 103 LEU HA H 103 3.965 3.965 3.816 0.149 18713 3897 1 6 . 1 1 103 103 LEU C C 103 177.780 177.780 177.872 -0.092 18713 3898 1 6 . 1 1 103 103 LEU CA C 103 57.630 57.630 57.976 -0.346 18713 3899 1 6 . 1 1 103 103 LEU CB C 103 41.430 41.430 41.431 -0.001 18713 3900 1 6 . 1 1 103 103 LEU H H 103 7.389 7.389 7.378 0.011 18713 3901 1 6 . 1 1 104 104 ASP N N 104 120.260 120.260 118.463 1.797 18713 3902 1 6 . 1 1 104 104 ASP HA H 104 4.240 4.240 3.713 0.527 18713 3903 1 6 . 1 1 104 104 ASP C C 104 177.230 177.230 178.541 -1.311 18713 3904 1 6 . 1 1 104 104 ASP CA C 104 58.140 58.140 56.664 1.476 18713 3905 1 6 . 1 1 104 104 ASP CB C 104 41.050 41.050 40.523 0.527 18713 3906 1 6 . 1 1 104 104 ASP H H 104 7.240 7.240 7.411 -0.171 18713 3907 1 6 . 1 1 105 105 VAL N N 105 118.230 118.230 120.340 -2.110 18713 3908 1 6 . 1 1 105 105 VAL HA H 105 4.025 4.025 3.467 0.558 18713 3909 1 6 . 1 1 105 105 VAL C C 105 177.550 177.550 177.671 -0.121 18713 3910 1 6 . 1 1 105 105 VAL CA C 105 65.270 65.270 66.800 -1.530 18713 3911 1 6 . 1 1 105 105 VAL CB C 105 31.570 31.570 31.864 -0.294 18713 3912 1 6 . 1 1 105 105 VAL H H 105 7.150 7.150 7.422 -0.272 18713 3913 1 6 . 1 1 106 106 VAL N N 106 120.450 120.450 120.597 -0.147 18713 3914 1 6 . 1 1 106 106 VAL HA H 106 3.512 3.512 3.549 -0.037 18713 3915 1 6 . 1 1 106 106 VAL C C 106 178.520 178.520 178.079 0.441 18713 3916 1 6 . 1 1 106 106 VAL CA C 106 67.440 67.440 66.816 0.624 18713 3917 1 6 . 1 1 106 106 VAL CB C 106 31.770 31.770 31.635 0.135 18713 3918 1 6 . 1 1 106 106 VAL H H 106 8.380 8.380 7.794 0.586 18713 3919 1 6 . 1 1 107 107 TYR N N 107 120.160 120.160 118.584 1.576 18713 3920 1 6 . 1 1 107 107 TYR HA H 107 4.113 4.113 4.020 0.093 18713 3921 1 6 . 1 1 107 107 TYR C C 107 177.950 177.950 178.285 -0.335 18713 3922 1 6 . 1 1 107 107 TYR CA C 107 60.150 60.150 58.454 1.696 18713 3923 1 6 . 1 1 107 107 TYR CB C 107 36.210 36.210 36.127 0.083 18713 3924 1 6 . 1 1 107 107 TYR H H 107 8.246 8.246 7.989 0.257 18713 3925 1 6 . 1 1 108 108 ALA N N 108 123.660 123.660 122.448 1.212 18713 3926 1 6 . 1 1 108 108 ALA HA H 108 4.018 4.018 4.184 -0.166 18713 3927 1 6 . 1 1 108 108 ALA C C 108 180.350 180.350 179.911 0.439 18713 3928 1 6 . 1 1 108 108 ALA CA C 108 55.670 55.670 55.049 0.621 18713 3929 1 6 . 1 1 108 108 ALA CB C 108 20.650 20.650 18.326 2.324 18713 3930 1 6 . 1 1 108 108 ALA H H 108 7.912 7.912 8.329 -0.417 18713 3931 1 6 . 1 1 109 109 LEU N N 109 119.820 119.820 119.144 0.676 18713 3932 1 6 . 1 1 109 109 LEU HA H 109 3.887 3.887 4.051 -0.164 18713 3933 1 6 . 1 1 109 109 LEU C C 109 179.290 179.290 178.946 0.344 18713 3934 1 6 . 1 1 109 109 LEU CA C 109 57.870 57.870 57.735 0.135 18713 3935 1 6 . 1 1 109 109 LEU CB C 109 41.430 41.430 41.800 -0.370 18713 3936 1 6 . 1 1 109 109 LEU H H 109 8.727 8.727 8.504 0.223 18713 3937 1 6 . 1 1 110 110 LYS N N 110 120.420 120.420 120.395 0.025 18713 3938 1 6 . 1 1 110 110 LYS HA H 110 4.158 4.158 4.316 -0.158 18713 3939 1 6 . 1 1 110 110 LYS C C 110 179.470 179.470 179.806 -0.336 18713 3940 1 6 . 1 1 110 110 LYS CA C 110 58.850 58.850 59.242 -0.392 18713 3941 1 6 . 1 1 110 110 LYS CB C 110 32.050 32.050 32.149 -0.099 18713 3942 1 6 . 1 1 110 110 LYS H H 110 8.180 8.180 8.228 -0.048 18713 3943 1 6 . 1 1 111 111 ARG N N 111 119.820 119.820 118.701 1.119 18713 3944 1 6 . 1 1 111 111 ARG HA H 111 4.142 4.142 4.082 0.060 18713 3945 1 6 . 1 1 111 111 ARG C C 111 177.240 177.240 178.381 -1.141 18713 3946 1 6 . 1 1 111 111 ARG CA C 111 58.150 58.150 58.545 -0.395 18713 3947 1 6 . 1 1 111 111 ARG CB C 111 29.810 29.810 30.131 -0.321 18713 3948 1 6 . 1 1 111 111 ARG H H 111 7.765 7.765 7.774 -0.009 18713 3949 1 6 . 1 1 112 112 GLN N N 112 116.120 116.120 116.145 -0.025 18713 3950 1 6 . 1 1 112 112 GLN HA H 112 4.435 4.435 4.253 0.182 18713 3951 1 6 . 1 1 112 112 GLN C C 112 176.060 176.060 176.024 0.036 18713 3952 1 6 . 1 1 112 112 GLN CA C 112 55.550 55.550 56.373 -0.823 18713 3953 1 6 . 1 1 112 112 GLN CB C 112 28.760 28.760 28.739 0.021 18713 3954 1 6 . 1 1 112 112 GLN H H 112 7.856 7.856 7.754 0.102 18713 3955 1 6 . 1 1 113 113 GLY N N 113 108.070 108.070 106.142 1.928 18713 3956 1 6 . 1 1 113 113 GLY C C 113 174.240 174.240 174.533 -0.293 18713 3957 1 6 . 1 1 113 113 GLY CA C 113 45.953 45.953 45.267 0.686 18713 3958 1 6 . 1 1 113 113 GLY H H 113 8.048 8.048 7.917 0.131 18713 3959 1 6 . 1 1 114 114 ARG N N 114 119.710 119.710 120.693 -0.983 18713 3960 1 6 . 1 1 114 114 ARG HA H 114 4.565 4.565 4.651 -0.086 18713 3961 1 6 . 1 1 114 114 ARG C C 114 175.490 175.490 176.608 -1.118 18713 3962 1 6 . 1 1 114 114 ARG CA C 114 57.950 57.950 54.314 3.636 18713 3963 1 6 . 1 1 114 114 ARG CB C 114 31.510 31.510 31.264 0.246 18713 3964 1 6 . 1 1 114 114 ARG H H 114 8.116 8.116 8.060 0.056 18713 3965 1 6 . 1 1 115 115 THR N N 115 114.890 114.890 113.711 1.179 18713 3966 1 6 . 1 1 115 115 THR HA H 115 4.262 4.262 4.033 0.229 18713 3967 1 6 . 1 1 115 115 THR C C 115 173.460 173.460 175.260 -1.800 18713 3968 1 6 . 1 1 115 115 THR CA C 115 61.820 61.820 63.014 -1.194 18713 3969 1 6 . 1 1 115 115 THR CB C 115 70.050 70.050 68.108 1.942 18713 3970 1 6 . 1 1 115 115 THR H H 115 8.143 8.143 8.784 -0.641 18713 3971 1 6 . 1 1 116 116 LEU N N 116 124.070 124.070 126.314 -2.244 18713 3972 1 6 . 1 1 116 116 LEU HA H 116 4.425 4.425 3.949 0.476 18713 3973 1 6 . 1 1 116 116 LEU C C 116 175.830 175.830 177.517 -1.687 18713 3974 1 6 . 1 1 116 116 LEU CA C 116 54.760 54.760 56.991 -2.231 18713 3975 1 6 . 1 1 116 116 LEU CB C 116 43.280 43.280 42.114 1.166 18713 3976 1 6 . 1 1 116 116 LEU H H 116 8.143 8.143 8.537 -0.394 18713 3977 1 6 . 1 1 117 117 TYR N N 117 121.630 121.630 116.548 5.082 18713 3978 1 6 . 1 1 117 117 TYR HA H 117 4.550 4.550 4.254 0.296 18713 3979 1 6 . 1 1 117 117 TYR C C 117 175.830 175.830 175.799 0.031 18713 3980 1 6 . 1 1 117 117 TYR CA C 117 58.140 58.140 58.529 -0.389 18713 3981 1 6 . 1 1 117 117 TYR CB C 117 38.850 38.850 37.159 1.691 18713 3982 1 6 . 1 1 117 117 TYR H H 117 8.213 8.213 7.953 0.260 18713 3983 1 6 . 1 1 118 118 GLY N N 118 110.050 110.050 104.722 5.328 18713 3984 1 6 . 1 1 118 118 GLY C C 118 173.660 173.660 174.884 -1.224 18713 3985 1 6 . 1 1 118 118 GLY CA C 118 45.470 45.470 45.175 0.295 18713 3986 1 6 . 1 1 118 118 GLY H H 118 8.275 8.275 8.398 -0.123 18713 3987 1 6 . 1 1 119 119 PHE N N 119 119.610 119.610 120.754 -1.144 18713 3988 1 6 . 1 1 119 119 PHE HA H 119 4.612 4.612 4.369 0.243 18713 3989 1 6 . 1 1 119 119 PHE C C 119 175.280 175.280 176.828 -1.548 18713 3990 1 6 . 1 1 119 119 PHE CA C 119 58.060 58.060 59.031 -0.970 18713 3991 1 6 . 1 1 119 119 PHE CB C 119 40.050 40.050 38.840 1.210 18713 3992 1 6 . 1 1 119 119 PHE H H 119 8.033 8.033 7.627 0.406 18713 3993 1 6 . 1 1 120 120 GLY N N 120 110.930 110.930 107.494 3.436 18713 3994 1 6 . 1 1 120 120 GLY C C 120 173.050 173.050 173.840 -0.790 18713 3995 1 6 . 1 1 120 120 GLY CA C 120 45.650 45.650 45.021 0.629 18713 3996 1 6 . 1 1 120 120 GLY H H 120 8.334 8.334 8.093 0.241 18713 3997 1 7 . 1 1 2 2 ILE HA H 2 4.175 4.175 4.067 0.108 18713 3998 1 7 . 1 1 2 2 ILE CA C 2 61.880 61.880 64.367 -2.487 18713 3999 1 7 . 1 1 2 2 ILE CB C 2 37.770 37.770 36.785 0.985 18713 4000 1 7 . 1 1 3 3 SER N N 3 116.020 116.020 115.588 0.432 18713 4001 1 7 . 1 1 3 3 SER HA H 3 4.435 4.435 4.273 0.162 18713 4002 1 7 . 1 1 3 3 SER CA C 3 59.590 59.590 61.024 -1.434 18713 4003 1 7 . 1 1 3 3 SER CB C 3 63.640 63.640 63.218 0.422 18713 4004 1 7 . 1 1 3 3 SER H H 3 7.913 7.913 8.081 -0.168 18713 4005 1 7 . 1 1 4 4 LYS N N 4 120.030 120.030 119.868 0.162 18713 4006 1 7 . 1 1 4 4 LYS HA H 4 4.380 4.380 4.180 0.200 18713 4007 1 7 . 1 1 4 4 LYS CA C 4 56.150 56.150 57.007 -0.856 18713 4008 1 7 . 1 1 4 4 LYS CB C 4 32.850 32.850 32.721 0.129 18713 4009 1 7 . 1 1 4 4 LYS H H 4 7.979 7.979 7.742 0.237 18713 4010 1 7 . 1 1 7 7 PHE HA H 7 4.023 4.023 4.131 -0.108 18713 4011 1 7 . 1 1 7 7 PHE C C 7 176.700 176.700 176.589 0.111 18713 4012 1 7 . 1 1 7 7 PHE CA C 7 63.150 63.150 61.557 1.593 18713 4013 1 7 . 1 1 7 7 PHE CB C 7 39.880 39.880 38.743 1.137 18713 4014 1 7 . 1 1 8 8 ALA N N 8 121.230 121.230 121.980 -0.750 18713 4015 1 7 . 1 1 8 8 ALA HA H 8 3.920 3.920 4.068 -0.148 18713 4016 1 7 . 1 1 8 8 ALA C C 8 178.010 178.010 179.591 -1.581 18713 4017 1 7 . 1 1 8 8 ALA CA C 8 55.630 55.630 55.336 0.294 18713 4018 1 7 . 1 1 8 8 ALA CB C 8 17.750 17.750 18.295 -0.545 18713 4019 1 7 . 1 1 8 8 ALA H H 8 8.715 8.715 8.063 0.652 18713 4020 1 7 . 1 1 9 9 ARG N N 9 118.910 118.910 118.246 0.664 18713 4021 1 7 . 1 1 9 9 ARG HA H 9 4.081 4.081 3.931 0.150 18713 4022 1 7 . 1 1 9 9 ARG C C 9 177.790 177.790 178.831 -1.041 18713 4023 1 7 . 1 1 9 9 ARG CA C 9 58.700 58.700 59.444 -0.744 18713 4024 1 7 . 1 1 9 9 ARG CB C 9 30.120 30.120 30.053 0.067 18713 4025 1 7 . 1 1 9 9 ARG H H 9 7.618 7.618 7.551 0.067 18713 4026 1 7 . 1 1 10 10 LEU N N 10 120.830 120.830 120.878 -0.048 18713 4027 1 7 . 1 1 10 10 LEU HA H 10 4.233 4.233 4.002 0.231 18713 4028 1 7 . 1 1 10 10 LEU C C 10 177.780 177.780 178.784 -1.004 18713 4029 1 7 . 1 1 10 10 LEU CA C 10 57.680 57.680 58.007 -0.327 18713 4030 1 7 . 1 1 10 10 LEU CB C 10 41.680 41.680 41.218 0.462 18713 4031 1 7 . 1 1 10 10 LEU H H 10 7.752 7.752 8.172 -0.420 18713 4032 1 7 . 1 1 11 11 VAL N N 11 117.150 117.150 119.766 -2.616 18713 4033 1 7 . 1 1 11 11 VAL HA H 11 3.425 3.425 3.517 -0.092 18713 4034 1 7 . 1 1 11 11 VAL C C 11 177.830 177.830 178.318 -0.488 18713 4035 1 7 . 1 1 11 11 VAL CA C 11 66.930 66.930 66.932 -0.002 18713 4036 1 7 . 1 1 11 11 VAL CB C 11 31.520 31.520 31.017 0.503 18713 4037 1 7 . 1 1 11 11 VAL H H 11 8.180 8.180 8.672 -0.492 18713 4038 1 7 . 1 1 12 12 LYS N N 12 121.880 121.880 119.755 2.125 18713 4039 1 7 . 1 1 12 12 LYS HA H 12 3.998 3.998 3.964 0.034 18713 4040 1 7 . 1 1 12 12 LYS C C 12 176.790 176.790 179.096 -2.306 18713 4041 1 7 . 1 1 12 12 LYS CA C 12 58.950 58.950 60.176 -1.226 18713 4042 1 7 . 1 1 12 12 LYS CB C 12 32.120 32.120 32.020 0.100 18713 4043 1 7 . 1 1 12 12 LYS H H 12 7.668 7.668 8.565 -0.897 18713 4044 1 7 . 1 1 13 13 GLU N N 13 118.250 118.250 119.653 -1.403 18713 4045 1 7 . 1 1 13 13 GLU HA H 13 4.085 4.085 3.934 0.151 18713 4046 1 7 . 1 1 13 13 GLU C C 13 179.280 179.280 179.002 0.278 18713 4047 1 7 . 1 1 13 13 GLU CA C 13 59.650 59.650 59.401 0.249 18713 4048 1 7 . 1 1 13 13 GLU CB C 13 29.770 29.770 29.563 0.207 18713 4049 1 7 . 1 1 13 13 GLU H H 13 8.149 8.149 7.951 0.198 18713 4050 1 7 . 1 1 14 14 VAL N N 14 117.450 117.450 119.870 -2.420 18713 4051 1 7 . 1 1 14 14 VAL HA H 14 4.007 4.007 3.379 0.628 18713 4052 1 7 . 1 1 14 14 VAL C C 14 178.350 178.350 177.727 0.623 18713 4053 1 7 . 1 1 14 14 VAL CA C 14 66.220 66.220 66.348 -0.128 18713 4054 1 7 . 1 1 14 14 VAL CB C 14 31.250 31.250 31.539 -0.289 18713 4055 1 7 . 1 1 14 14 VAL H H 14 7.974 7.974 8.195 -0.221 18713 4056 1 7 . 1 1 15 15 THR N N 15 113.780 113.780 116.226 -2.446 18713 4057 1 7 . 1 1 15 15 THR HA H 15 3.771 3.771 3.627 0.144 18713 4058 1 7 . 1 1 15 15 THR C C 15 178.190 178.190 176.317 1.873 18713 4059 1 7 . 1 1 15 15 THR CA C 15 66.990 66.990 67.039 -0.049 18713 4060 1 7 . 1 1 15 15 THR CB C 15 68.590 68.590 68.176 0.414 18713 4061 1 7 . 1 1 15 15 THR H H 15 8.569 8.569 8.125 0.444 18713 4062 1 7 . 1 1 16 16 ASP N N 16 123.420 123.420 121.733 1.687 18713 4063 1 7 . 1 1 16 16 ASP HA H 16 4.545 4.545 4.393 0.152 18713 4064 1 7 . 1 1 16 16 ASP C C 16 178.450 178.450 177.904 0.546 18713 4065 1 7 . 1 1 16 16 ASP CA C 16 57.410 57.410 57.128 0.282 18713 4066 1 7 . 1 1 16 16 ASP CB C 16 39.880 39.880 39.920 -0.040 18713 4067 1 7 . 1 1 16 16 ASP H H 16 8.664 8.664 8.237 0.427 18713 4068 1 7 . 1 1 17 17 GLU N N 17 120.180 120.180 118.561 1.619 18713 4069 1 7 . 1 1 17 17 GLU HA H 17 4.089 4.089 4.052 0.037 18713 4070 1 7 . 1 1 17 17 GLU C C 17 178.220 178.220 179.771 -1.551 18713 4071 1 7 . 1 1 17 17 GLU CA C 17 59.050 59.050 58.978 0.072 18713 4072 1 7 . 1 1 17 17 GLU CB C 17 28.850 28.850 29.606 -0.756 18713 4073 1 7 . 1 1 17 17 GLU H H 17 7.705 7.705 7.410 0.295 18713 4074 1 7 . 1 1 18 18 PHE N N 18 117.450 117.450 117.849 -0.399 18713 4075 1 7 . 1 1 18 18 PHE HA H 18 4.396 4.396 4.520 -0.124 18713 4076 1 7 . 1 1 18 18 PHE C C 18 177.130 177.130 177.367 -0.237 18713 4077 1 7 . 1 1 18 18 PHE CA C 18 60.720 60.720 57.926 2.794 18713 4078 1 7 . 1 1 18 18 PHE CB C 18 39.880 39.880 38.294 1.586 18713 4079 1 7 . 1 1 18 18 PHE H H 18 7.911 7.911 7.397 0.514 18713 4080 1 7 . 1 1 19 19 THR N N 19 115.450 115.450 113.177 2.273 18713 4081 1 7 . 1 1 19 19 THR HA H 19 4.510 4.510 4.386 0.124 18713 4082 1 7 . 1 1 19 19 THR C C 19 175.160 175.160 175.224 -0.064 18713 4083 1 7 . 1 1 19 19 THR CA C 19 63.880 63.880 63.837 0.043 18713 4084 1 7 . 1 1 19 19 THR CB C 19 69.450 69.450 67.877 1.573 18713 4085 1 7 . 1 1 19 19 THR H H 19 8.270 8.270 8.710 -0.440 18713 4086 1 7 . 1 1 20 20 THR N N 20 114.370 114.370 116.496 -2.126 18713 4087 1 7 . 1 1 20 20 THR HA H 20 4.262 4.262 3.995 0.267 18713 4088 1 7 . 1 1 20 20 THR C C 20 175.280 175.280 175.071 0.209 18713 4089 1 7 . 1 1 20 20 THR CA C 20 63.850 63.850 64.611 -0.761 18713 4090 1 7 . 1 1 20 20 THR CB C 20 69.250 69.250 68.534 0.716 18713 4091 1 7 . 1 1 20 20 THR H H 20 7.974 7.974 7.322 0.652 18713 4092 1 7 . 1 1 21 21 LYS N N 21 119.710 119.710 119.567 0.143 18713 4093 1 7 . 1 1 21 21 LYS HA H 21 4.291 4.291 4.274 0.017 18713 4094 1 7 . 1 1 21 21 LYS C C 21 176.070 176.070 176.727 -0.657 18713 4095 1 7 . 1 1 21 21 LYS CA C 21 57.180 57.180 56.445 0.735 18713 4096 1 7 . 1 1 21 21 LYS CB C 21 32.830 32.830 32.021 0.809 18713 4097 1 7 . 1 1 21 21 LYS H H 21 7.519 7.519 7.820 -0.301 18713 4098 1 7 . 1 1 22 22 ASP N N 22 119.020 119.020 121.423 -2.403 18713 4099 1 7 . 1 1 22 22 ASP HA H 22 4.730 4.730 4.628 0.102 18713 4100 1 7 . 1 1 22 22 ASP C C 22 175.080 175.080 176.598 -1.518 18713 4101 1 7 . 1 1 22 22 ASP CA C 22 53.770 53.770 53.451 0.319 18713 4102 1 7 . 1 1 22 22 ASP CB C 22 39.990 39.990 39.167 0.823 18713 4103 1 7 . 1 1 22 22 ASP H H 22 7.841 7.841 7.613 0.228 18713 4104 1 7 . 1 1 23 23 GLN N N 23 120.720 120.720 117.921 2.799 18713 4105 1 7 . 1 1 23 23 GLN HA H 23 4.425 4.425 4.121 0.304 18713 4106 1 7 . 1 1 23 23 GLN C C 23 175.860 175.860 176.463 -0.603 18713 4107 1 7 . 1 1 23 23 GLN CA C 23 57.530 57.530 58.074 -0.544 18713 4108 1 7 . 1 1 23 23 GLN CB C 23 29.050 29.050 28.892 0.158 18713 4109 1 7 . 1 1 23 23 GLN H H 23 8.313 8.313 8.457 -0.144 18713 4110 1 7 . 1 1 24 24 ASP N N 24 119.150 119.150 114.587 4.563 18713 4111 1 7 . 1 1 24 24 ASP HA H 24 4.655 4.655 4.677 -0.022 18713 4112 1 7 . 1 1 24 24 ASP C C 24 174.840 174.840 174.652 0.188 18713 4113 1 7 . 1 1 24 24 ASP CA C 24 54.560 54.560 53.805 0.755 18713 4114 1 7 . 1 1 24 24 ASP CB C 24 41.290 41.290 41.888 -0.598 18713 4115 1 7 . 1 1 24 24 ASP H H 24 8.313 8.313 8.230 0.083 18713 4116 1 7 . 1 1 25 25 LEU N N 25 121.240 121.240 120.705 0.535 18713 4117 1 7 . 1 1 25 25 LEU HA H 25 4.602 4.602 4.256 0.346 18713 4118 1 7 . 1 1 25 25 LEU C C 25 176.550 176.550 176.847 -0.297 18713 4119 1 7 . 1 1 25 25 LEU CA C 25 55.060 55.060 55.414 -0.354 18713 4120 1 7 . 1 1 25 25 LEU CB C 25 43.520 43.520 42.900 0.620 18713 4121 1 7 . 1 1 25 25 LEU H H 25 7.572 7.572 7.756 -0.184 18713 4122 1 7 . 1 1 26 26 ARG N N 26 123.560 123.560 119.732 3.828 18713 4123 1 7 . 1 1 26 26 ARG HA H 26 4.787 4.787 4.679 0.108 18713 4124 1 7 . 1 1 26 26 ARG C C 26 174.040 174.040 174.385 -0.345 18713 4125 1 7 . 1 1 26 26 ARG CA C 26 54.010 54.010 55.018 -1.008 18713 4126 1 7 . 1 1 26 26 ARG CB C 26 33.170 33.170 33.338 -0.168 18713 4127 1 7 . 1 1 26 26 ARG H H 26 8.385 8.385 8.362 0.023 18713 4128 1 7 . 1 1 27 27 TRP N N 27 121.230 121.230 125.799 -4.569 18713 4129 1 7 . 1 1 27 27 TRP HA H 27 4.608 4.608 4.868 -0.260 18713 4130 1 7 . 1 1 27 27 TRP C C 27 176.280 176.280 176.549 -0.269 18713 4131 1 7 . 1 1 27 27 TRP CA C 27 56.110 56.110 56.972 -0.862 18713 4132 1 7 . 1 1 27 27 TRP CB C 27 30.350 30.350 29.725 0.625 18713 4133 1 7 . 1 1 27 27 TRP H H 27 8.824 8.824 8.817 0.007 18713 4134 1 7 . 1 1 28 28 GLN N N 28 122.270 122.270 124.700 -2.430 18713 4135 1 7 . 1 1 28 28 GLN HA H 28 4.163 4.163 4.639 -0.476 18713 4136 1 7 . 1 1 28 28 GLN C C 28 176.280 176.280 177.377 -1.097 18713 4137 1 7 . 1 1 28 28 GLN CA C 28 56.850 56.850 54.491 2.359 18713 4138 1 7 . 1 1 28 28 GLN CB C 28 32.830 32.830 29.429 3.401 18713 4139 1 7 . 1 1 28 28 GLN H H 28 8.427 8.427 7.962 0.465 18713 4140 1 7 . 1 1 29 29 SER HA H 29 4.276 4.276 4.239 0.037 18713 4141 1 7 . 1 1 29 29 SER CA C 29 63.180 63.180 61.292 1.888 18713 4142 1 7 . 1 1 29 29 SER CB C 29 62.930 62.930 62.890 0.040 18713 4143 1 7 . 1 1 30 30 MET HA H 30 4.430 4.430 4.396 0.034 18713 4144 1 7 . 1 1 30 30 MET C C 30 178.450 178.450 178.113 0.337 18713 4145 1 7 . 1 1 30 30 MET CA C 30 57.760 57.760 56.818 0.942 18713 4146 1 7 . 1 1 30 30 MET CB C 30 32.120 32.120 30.910 1.210 18713 4147 1 7 . 1 1 31 31 ALA N N 31 122.750 122.750 123.118 -0.368 18713 4148 1 7 . 1 1 31 31 ALA HA H 31 4.015 4.015 3.901 0.114 18713 4149 1 7 . 1 1 31 31 ALA C C 31 178.090 178.090 179.988 -1.898 18713 4150 1 7 . 1 1 31 31 ALA CA C 31 55.430 55.430 55.050 0.380 18713 4151 1 7 . 1 1 31 31 ALA CB C 31 18.590 18.590 17.646 0.944 18713 4152 1 7 . 1 1 31 31 ALA H H 31 7.619 7.619 7.803 -0.184 18713 4153 1 7 . 1 1 32 32 ILE N N 32 117.950 117.950 118.219 -0.269 18713 4154 1 7 . 1 1 32 32 ILE HA H 32 3.691 3.691 3.739 -0.048 18713 4155 1 7 . 1 1 32 32 ILE C C 32 178.410 178.410 177.778 0.632 18713 4156 1 7 . 1 1 32 32 ILE CA C 32 63.290 63.290 65.156 -1.866 18713 4157 1 7 . 1 1 32 32 ILE CB C 32 36.120 36.120 37.871 -1.752 18713 4158 1 7 . 1 1 32 32 ILE H H 32 7.503 7.503 7.306 0.197 18713 4159 1 7 . 1 1 33 33 MET N N 33 118.790 118.790 118.550 0.240 18713 4160 1 7 . 1 1 33 33 MET HA H 33 4.269 4.269 4.133 0.136 18713 4161 1 7 . 1 1 33 33 MET C C 33 177.970 177.970 178.556 -0.586 18713 4162 1 7 . 1 1 33 33 MET CA C 33 57.670 57.670 57.356 0.314 18713 4163 1 7 . 1 1 33 33 MET CB C 33 32.040 32.040 31.031 1.009 18713 4164 1 7 . 1 1 33 33 MET H H 33 8.034 8.034 7.772 0.262 18713 4165 1 7 . 1 1 34 34 ALA N N 34 122.470 122.470 122.220 0.250 18713 4166 1 7 . 1 1 34 34 ALA HA H 34 3.944 3.944 4.067 -0.123 18713 4167 1 7 . 1 1 34 34 ALA C C 34 179.680 179.680 179.279 0.401 18713 4168 1 7 . 1 1 34 34 ALA CA C 34 55.290 55.290 55.505 -0.215 18713 4169 1 7 . 1 1 34 34 ALA CB C 34 17.050 17.050 18.069 -1.019 18713 4170 1 7 . 1 1 34 34 ALA H H 34 8.007 8.007 8.506 -0.499 18713 4171 1 7 . 1 1 35 35 LEU N N 35 118.310 118.310 119.548 -1.238 18713 4172 1 7 . 1 1 35 35 LEU HA H 35 3.945 3.945 4.134 -0.189 18713 4173 1 7 . 1 1 35 35 LEU C C 35 179.630 179.630 179.381 0.249 18713 4174 1 7 . 1 1 35 35 LEU CA C 35 57.880 57.880 58.211 -0.331 18713 4175 1 7 . 1 1 35 35 LEU CB C 35 42.710 42.710 41.473 1.237 18713 4176 1 7 . 1 1 35 35 LEU H H 35 8.003 8.003 7.328 0.675 18713 4177 1 7 . 1 1 36 36 GLN N N 36 122.480 122.480 117.901 4.579 18713 4178 1 7 . 1 1 36 36 GLN HA H 36 3.718 3.718 4.021 -0.303 18713 4179 1 7 . 1 1 36 36 GLN C C 36 177.850 177.850 178.959 -1.109 18713 4180 1 7 . 1 1 36 36 GLN CA C 36 60.150 60.150 58.826 1.324 18713 4181 1 7 . 1 1 36 36 GLN CB C 36 28.150 28.150 28.067 0.083 18713 4182 1 7 . 1 1 36 36 GLN H H 36 8.532 8.532 7.912 0.620 18713 4183 1 7 . 1 1 37 37 GLU N N 37 120.790 120.790 119.702 1.088 18713 4184 1 7 . 1 1 37 37 GLU HA H 37 4.043 4.043 4.088 -0.045 18713 4185 1 7 . 1 1 37 37 GLU C C 37 179.190 179.190 178.849 0.341 18713 4186 1 7 . 1 1 37 37 GLU CA C 37 59.650 59.650 58.882 0.768 18713 4187 1 7 . 1 1 37 37 GLU CB C 37 28.120 28.120 29.294 -1.174 18713 4188 1 7 . 1 1 37 37 GLU H H 37 8.562 8.562 8.349 0.213 18713 4189 1 7 . 1 1 38 38 ALA N N 38 121.430 121.430 123.130 -1.700 18713 4190 1 7 . 1 1 38 38 ALA HA H 38 4.228 4.228 3.850 0.378 18713 4191 1 7 . 1 1 38 38 ALA C C 38 179.740 179.740 179.699 0.041 18713 4192 1 7 . 1 1 38 38 ALA CA C 38 54.550 54.550 55.459 -0.909 18713 4193 1 7 . 1 1 38 38 ALA CB C 38 19.050 19.050 18.267 0.782 18713 4194 1 7 . 1 1 38 38 ALA H H 38 8.626 8.626 8.587 0.039 18713 4195 1 7 . 1 1 39 39 SER N N 39 115.350 115.350 114.474 0.876 18713 4196 1 7 . 1 1 39 39 SER HA H 39 4.159 4.159 4.221 -0.062 18713 4197 1 7 . 1 1 39 39 SER C C 39 174.490 174.490 177.127 -2.637 18713 4198 1 7 . 1 1 39 39 SER CA C 39 62.550 62.550 61.897 0.653 18713 4199 1 7 . 1 1 39 39 SER CB C 39 64.580 64.580 63.205 1.375 18713 4200 1 7 . 1 1 39 39 SER H H 39 8.160 8.160 8.020 0.140 18713 4201 1 7 . 1 1 40 40 GLU N N 40 123.380 123.380 121.373 2.007 18713 4202 1 7 . 1 1 40 40 GLU HA H 40 3.545 3.545 4.179 -0.634 18713 4203 1 7 . 1 1 40 40 GLU C C 40 177.080 177.080 178.490 -1.410 18713 4204 1 7 . 1 1 40 40 GLU CA C 40 59.890 59.890 58.903 0.987 18713 4205 1 7 . 1 1 40 40 GLU CB C 40 28.150 28.150 28.827 -0.677 18713 4206 1 7 . 1 1 40 40 GLU H H 40 7.632 7.632 8.022 -0.390 18713 4207 1 7 . 1 1 41 41 ALA N N 41 120.090 120.090 122.693 -2.603 18713 4208 1 7 . 1 1 41 41 ALA HA H 41 4.007 4.007 4.064 -0.057 18713 4209 1 7 . 1 1 41 41 ALA C C 41 180.370 180.370 179.395 0.975 18713 4210 1 7 . 1 1 41 41 ALA CA C 41 54.930 54.930 54.706 0.224 18713 4211 1 7 . 1 1 41 41 ALA CB C 41 18.150 18.150 17.965 0.184 18713 4212 1 7 . 1 1 41 41 ALA H H 41 7.860 7.860 8.438 -0.578 18713 4213 1 7 . 1 1 42 42 TYR N N 42 120.400 120.400 119.829 0.571 18713 4214 1 7 . 1 1 42 42 TYR HA H 42 3.970 3.970 4.046 -0.076 18713 4215 1 7 . 1 1 42 42 TYR C C 42 177.220 177.220 177.566 -0.346 18713 4216 1 7 . 1 1 42 42 TYR CA C 42 60.350 60.350 61.839 -1.488 18713 4217 1 7 . 1 1 42 42 TYR CB C 42 38.450 38.450 38.548 -0.098 18713 4218 1 7 . 1 1 42 42 TYR H H 42 8.266 8.266 8.036 0.230 18713 4219 1 7 . 1 1 43 43 LEU N N 43 119.630 119.630 119.323 0.307 18713 4220 1 7 . 1 1 43 43 LEU HA H 43 3.812 3.812 3.853 -0.041 18713 4221 1 7 . 1 1 43 43 LEU C C 43 177.790 177.790 178.728 -0.938 18713 4222 1 7 . 1 1 43 43 LEU CA C 43 57.530 57.530 58.192 -0.662 18713 4223 1 7 . 1 1 43 43 LEU CB C 43 41.990 41.990 41.849 0.141 18713 4224 1 7 . 1 1 43 43 LEU H H 43 8.080 8.080 7.782 0.298 18713 4225 1 7 . 1 1 44 44 VAL N N 44 118.320 118.320 118.781 -0.461 18713 4226 1 7 . 1 1 44 44 VAL HA H 44 3.450 3.450 3.558 -0.108 18713 4227 1 7 . 1 1 44 44 VAL C C 44 177.960 177.960 178.214 -0.254 18713 4228 1 7 . 1 1 44 44 VAL CA C 44 67.150 67.150 66.852 0.298 18713 4229 1 7 . 1 1 44 44 VAL CB C 44 31.250 31.250 30.682 0.568 18713 4230 1 7 . 1 1 44 44 VAL H H 44 8.415 8.415 8.448 -0.033 18713 4231 1 7 . 1 1 45 45 GLY N N 45 106.020 106.020 107.845 -1.825 18713 4232 1 7 . 1 1 45 45 GLY C C 45 176.070 176.070 175.758 0.312 18713 4233 1 7 . 1 1 45 45 GLY CA C 45 47.410 47.410 46.749 0.661 18713 4234 1 7 . 1 1 45 45 GLY H H 45 7.747 7.747 8.163 -0.416 18713 4235 1 7 . 1 1 46 46 LEU N N 46 122.340 122.340 123.457 -1.117 18713 4236 1 7 . 1 1 46 46 LEU HA H 46 4.002 4.002 3.914 0.088 18713 4237 1 7 . 1 1 46 46 LEU C C 46 179.520 179.520 178.384 1.136 18713 4238 1 7 . 1 1 46 46 LEU CA C 46 57.410 57.410 57.179 0.231 18713 4239 1 7 . 1 1 46 46 LEU CB C 46 42.350 42.350 41.856 0.494 18713 4240 1 7 . 1 1 46 46 LEU H H 46 7.802 7.802 7.740 0.062 18713 4241 1 7 . 1 1 47 47 LEU N N 47 118.450 118.450 120.447 -1.997 18713 4242 1 7 . 1 1 47 47 LEU HA H 47 4.169 4.169 3.901 0.268 18713 4243 1 7 . 1 1 47 47 LEU C C 47 178.210 178.210 178.730 -0.520 18713 4244 1 7 . 1 1 47 47 LEU CA C 47 56.950 56.950 58.499 -1.550 18713 4245 1 7 . 1 1 47 47 LEU CB C 47 41.850 41.850 41.552 0.298 18713 4246 1 7 . 1 1 47 47 LEU H H 47 8.082 8.082 8.578 -0.496 18713 4247 1 7 . 1 1 48 48 GLU N N 48 116.980 116.980 117.292 -0.312 18713 4248 1 7 . 1 1 48 48 GLU HA H 48 4.142 4.142 4.082 0.060 18713 4249 1 7 . 1 1 48 48 GLU C C 48 177.120 177.120 178.497 -1.377 18713 4250 1 7 . 1 1 48 48 GLU CA C 48 57.450 57.450 58.688 -1.238 18713 4251 1 7 . 1 1 48 48 GLU CB C 48 30.010 30.010 29.609 0.401 18713 4252 1 7 . 1 1 48 48 GLU H H 48 7.870 7.870 8.353 -0.483 18713 4253 1 7 . 1 1 49 49 HIS N N 49 114.660 114.660 116.529 -1.869 18713 4254 1 7 . 1 1 49 49 HIS HA H 49 4.878 4.878 4.636 0.242 18713 4255 1 7 . 1 1 49 49 HIS C C 49 174.070 174.070 177.543 -3.473 18713 4256 1 7 . 1 1 49 49 HIS CA C 49 55.760 55.760 56.998 -1.238 18713 4257 1 7 . 1 1 49 49 HIS CB C 49 29.880 29.880 30.908 -1.028 18713 4258 1 7 . 1 1 49 49 HIS H H 49 7.833 7.833 7.713 0.120 18713 4259 1 7 . 1 1 50 50 THR N N 50 113.050 113.050 115.611 -2.561 18713 4260 1 7 . 1 1 50 50 THR HA H 50 4.571 4.571 4.134 0.437 18713 4261 1 7 . 1 1 50 50 THR C C 50 173.390 173.390 176.246 -2.856 18713 4262 1 7 . 1 1 50 50 THR CA C 50 61.880 61.880 65.334 -3.454 18713 4263 1 7 . 1 1 50 50 THR CB C 50 70.350 70.350 68.533 1.817 18713 4264 1 7 . 1 1 50 50 THR H H 50 7.871 7.871 8.753 -0.882 18713 4265 1 7 . 1 1 51 51 ASN N N 51 119.760 119.760 119.837 -0.077 18713 4266 1 7 . 1 1 51 51 ASN HA H 51 4.868 4.868 4.637 0.231 18713 4267 1 7 . 1 1 51 51 ASN C C 51 175.440 175.440 177.186 -1.746 18713 4268 1 7 . 1 1 51 51 ASN CA C 51 52.870 52.870 55.133 -2.264 18713 4269 1 7 . 1 1 51 51 ASN CB C 51 38.470 38.470 37.586 0.885 18713 4270 1 7 . 1 1 51 51 ASN H H 51 8.477 8.477 7.953 0.524 18713 4271 1 7 . 1 1 52 52 LEU N N 52 121.360 121.360 120.057 1.303 18713 4272 1 7 . 1 1 52 52 LEU HA H 52 4.144 4.144 4.276 -0.132 18713 4273 1 7 . 1 1 52 52 LEU C C 52 177.440 177.440 178.263 -0.823 18713 4274 1 7 . 1 1 52 52 LEU CA C 52 56.880 56.880 56.119 0.761 18713 4275 1 7 . 1 1 52 52 LEU CB C 52 42.240 42.240 41.595 0.645 18713 4276 1 7 . 1 1 52 52 LEU H H 52 8.089 8.089 7.364 0.725 18713 4277 1 7 . 1 1 53 53 LEU N N 53 119.350 119.350 120.436 -1.086 18713 4278 1 7 . 1 1 53 53 LEU HA H 53 4.255 4.255 4.034 0.221 18713 4279 1 7 . 1 1 53 53 LEU C C 53 177.360 177.360 177.861 -0.501 18713 4280 1 7 . 1 1 53 53 LEU CA C 53 56.010 56.010 57.266 -1.256 18713 4281 1 7 . 1 1 53 53 LEU CB C 53 41.770 41.770 41.270 0.500 18713 4282 1 7 . 1 1 53 53 LEU H H 53 8.165 8.165 7.551 0.614 18713 4283 1 7 . 1 1 54 54 ALA N N 54 122.310 122.310 120.368 1.942 18713 4284 1 7 . 1 1 54 54 ALA HA H 54 4.222 4.222 4.302 -0.080 18713 4285 1 7 . 1 1 54 54 ALA C C 54 177.620 177.620 178.924 -1.304 18713 4286 1 7 . 1 1 54 54 ALA CA C 54 53.250 53.250 54.013 -0.763 18713 4287 1 7 . 1 1 54 54 ALA CB C 54 18.820 18.820 18.433 0.387 18713 4288 1 7 . 1 1 54 54 ALA H H 54 7.969 7.969 7.453 0.516 18713 4289 1 7 . 1 1 55 55 LEU N N 55 117.930 117.930 117.334 0.596 18713 4290 1 7 . 1 1 55 55 LEU HA H 55 4.233 4.233 3.992 0.241 18713 4291 1 7 . 1 1 55 55 LEU C C 55 176.740 176.740 178.349 -1.609 18713 4292 1 7 . 1 1 55 55 LEU CA C 55 55.420 55.420 57.128 -1.708 18713 4293 1 7 . 1 1 55 55 LEU CB C 55 42.350 42.350 42.233 0.117 18713 4294 1 7 . 1 1 55 55 LEU H H 55 7.696 7.696 7.472 0.224 18713 4295 1 7 . 1 1 56 56 HIS N N 56 117.120 117.120 114.683 2.437 18713 4296 1 7 . 1 1 56 56 HIS HA H 56 4.665 4.665 4.623 0.042 18713 4297 1 7 . 1 1 56 56 HIS C C 56 174.150 174.150 174.365 -0.215 18713 4298 1 7 . 1 1 56 56 HIS CA C 56 55.420 55.420 56.166 -0.747 18713 4299 1 7 . 1 1 56 56 HIS CB C 56 29.250 29.250 33.376 -4.126 18713 4300 1 7 . 1 1 56 56 HIS H H 56 8.196 8.196 7.847 0.349 18713 4301 1 7 . 1 1 57 57 LEU N N 57 120.690 120.690 122.538 -1.848 18713 4302 1 7 . 1 1 57 57 LEU HA H 57 4.414 4.414 4.705 -0.291 18713 4303 1 7 . 1 1 57 57 LEU C C 57 175.760 175.760 174.886 0.874 18713 4304 1 7 . 1 1 57 57 LEU CA C 57 55.410 55.410 53.899 1.511 18713 4305 1 7 . 1 1 57 57 LEU CB C 57 42.470 42.470 44.360 -1.890 18713 4306 1 7 . 1 1 57 57 LEU H H 57 7.989 7.989 8.414 -0.425 18713 4307 1 7 . 1 1 58 58 VAL N N 58 119.740 119.740 127.364 -7.624 18713 4308 1 7 . 1 1 58 58 VAL HA H 58 4.485 4.485 4.291 0.194 18713 4309 1 7 . 1 1 58 58 VAL C C 58 173.880 173.880 173.845 0.035 18713 4310 1 7 . 1 1 58 58 VAL CA C 58 59.520 59.520 59.044 0.476 18713 4311 1 7 . 1 1 58 58 VAL CB C 58 32.710 32.710 32.282 0.428 18713 4312 1 7 . 1 1 58 58 VAL H H 58 7.848 7.848 8.341 -0.493 18713 4313 1 7 . 1 1 59 59 PRO HA H 59 4.449 4.449 4.376 0.073 18713 4314 1 7 . 1 1 59 59 PRO C C 59 174.250 174.250 175.554 -1.304 18713 4315 1 7 . 1 1 59 59 PRO CA C 59 63.200 63.200 63.440 -0.240 18713 4316 1 7 . 1 1 59 59 PRO CB C 59 32.120 32.120 32.116 0.004 18713 4317 1 7 . 1 1 60 60 ARG N N 60 121.450 121.450 123.273 -1.823 18713 4318 1 7 . 1 1 60 60 ARG HA H 60 4.335 4.335 4.453 -0.118 18713 4319 1 7 . 1 1 60 60 ARG C C 60 176.620 176.620 175.591 1.029 18713 4320 1 7 . 1 1 60 60 ARG CA C 60 56.460 56.460 54.600 1.860 18713 4321 1 7 . 1 1 60 60 ARG CB C 60 30.720 30.720 30.945 -0.225 18713 4322 1 7 . 1 1 60 60 ARG H H 60 8.397 8.397 8.337 0.060 18713 4323 1 7 . 1 1 61 61 GLY N N 61 110.770 110.770 108.012 2.758 18713 4324 1 7 . 1 1 61 61 GLY C C 61 174.090 174.090 175.289 -1.199 18713 4325 1 7 . 1 1 61 61 GLY CA C 61 45.650 45.650 45.266 0.385 18713 4326 1 7 . 1 1 61 61 GLY H H 61 8.541 8.541 8.409 0.132 18713 4327 1 7 . 1 1 62 62 SER N N 62 115.890 115.890 116.170 -0.280 18713 4328 1 7 . 1 1 62 62 SER HA H 62 4.470 4.470 4.286 0.184 18713 4329 1 7 . 1 1 62 62 SER C C 62 174.270 174.270 175.524 -1.254 18713 4330 1 7 . 1 1 62 62 SER CA C 62 58.750 58.750 60.083 -1.333 18713 4331 1 7 . 1 1 62 62 SER CB C 62 64.100 64.100 63.454 0.646 18713 4332 1 7 . 1 1 62 62 SER H H 62 8.145 8.145 8.382 -0.237 18713 4333 1 7 . 1 1 63 63 LYS N N 63 122.680 122.680 117.484 5.196 18713 4334 1 7 . 1 1 63 63 LYS HA H 63 4.372 4.372 4.121 0.251 18713 4335 1 7 . 1 1 63 63 LYS C C 63 175.950 175.950 177.051 -1.101 18713 4336 1 7 . 1 1 63 63 LYS CA C 63 56.120 56.120 57.226 -1.106 18713 4337 1 7 . 1 1 63 63 LYS CB C 63 32.830 32.830 32.149 0.681 18713 4338 1 7 . 1 1 63 63 LYS H H 63 8.336 8.336 8.008 0.328 18713 4339 1 7 . 1 1 64 64 ARG N N 64 120.930 120.930 121.123 -0.193 18713 4340 1 7 . 1 1 64 64 ARG HA H 64 4.395 4.395 4.326 0.069 18713 4341 1 7 . 1 1 64 64 ARG C C 64 175.550 175.550 175.271 0.279 18713 4342 1 7 . 1 1 64 64 ARG CA C 64 56.350 56.350 55.626 0.724 18713 4343 1 7 . 1 1 64 64 ARG CB C 64 30.950 30.950 30.046 0.905 18713 4344 1 7 . 1 1 64 64 ARG H H 64 8.187 8.187 7.371 0.816 18713 4345 1 7 . 1 1 65 65 ILE N N 65 121.120 121.120 126.892 -5.772 18713 4346 1 7 . 1 1 65 65 ILE HA H 65 4.255 4.255 4.398 -0.143 18713 4347 1 7 . 1 1 65 65 ILE C C 65 175.880 175.880 176.217 -0.337 18713 4348 1 7 . 1 1 65 65 ILE CA C 65 61.170 61.170 59.896 1.274 18713 4349 1 7 . 1 1 65 65 ILE CB C 65 38.820 38.820 35.942 2.878 18713 4350 1 7 . 1 1 65 65 ILE H H 65 8.165 8.165 8.550 -0.385 18713 4351 1 7 . 1 1 66 66 SER N N 66 120.720 120.720 122.266 -1.546 18713 4352 1 7 . 1 1 66 66 SER HA H 66 4.511 4.511 4.573 -0.062 18713 4353 1 7 . 1 1 66 66 SER C C 66 174.490 174.490 175.372 -0.882 18713 4354 1 7 . 1 1 66 66 SER CA C 66 58.580 58.580 58.459 0.121 18713 4355 1 7 . 1 1 66 66 SER CB C 66 64.110 64.110 64.761 -0.651 18713 4356 1 7 . 1 1 66 66 SER H H 66 8.346 8.346 8.636 -0.290 18713 4357 1 7 . 1 1 67 67 GLY N N 67 110.050 110.050 111.696 -1.646 18713 4358 1 7 . 1 1 67 67 GLY C C 67 175.840 175.840 173.494 2.346 18713 4359 1 7 . 1 1 67 67 GLY CA C 67 45.480 45.480 44.633 0.847 18713 4360 1 7 . 1 1 67 67 GLY H H 67 8.275 8.275 7.981 0.294 18713 4361 1 7 . 1 1 68 68 LEU N N 68 120.990 120.990 125.147 -4.157 18713 4362 1 7 . 1 1 68 68 LEU HA H 68 4.492 4.492 4.319 0.173 18713 4363 1 7 . 1 1 68 68 LEU C C 68 177.450 177.450 177.857 -0.407 18713 4364 1 7 . 1 1 68 68 LEU CA C 68 55.410 55.410 55.150 0.260 18713 4365 1 7 . 1 1 68 68 LEU CB C 68 42.710 42.710 42.259 0.451 18713 4366 1 7 . 1 1 68 68 LEU H H 68 8.057 8.057 8.712 -0.655 18713 4367 1 7 . 1 1 70 70 TYR HA H 70 4.039 4.039 4.270 -0.231 18713 4368 1 7 . 1 1 70 70 TYR CA C 70 61.650 61.650 61.635 0.015 18713 4369 1 7 . 1 1 70 70 TYR CB C 70 38.250 38.250 37.587 0.663 18713 4370 1 7 . 1 1 71 71 GLU N N 71 117.580 117.580 119.821 -2.241 18713 4371 1 7 . 1 1 71 71 GLU HA H 71 4.173 4.173 4.006 0.167 18713 4372 1 7 . 1 1 71 71 GLU CA C 71 60.120 60.120 60.181 -0.061 18713 4373 1 7 . 1 1 71 71 GLU CB C 71 29.080 29.080 29.170 -0.090 18713 4374 1 7 . 1 1 71 71 GLU H H 71 8.999 8.999 8.802 0.197 18713 4375 1 7 . 1 1 72 72 GLU N N 72 119.620 119.620 119.529 0.091 18713 4376 1 7 . 1 1 72 72 GLU HA H 72 4.165 4.165 4.060 0.105 18713 4377 1 7 . 1 1 72 72 GLU C C 72 178.090 178.090 179.453 -1.363 18713 4378 1 7 . 1 1 72 72 GLU CA C 72 58.350 58.350 59.345 -0.995 18713 4379 1 7 . 1 1 72 72 GLU CB C 72 29.880 29.880 29.739 0.141 18713 4380 1 7 . 1 1 72 72 GLU H H 72 7.760 7.760 7.806 -0.046 18713 4381 1 7 . 1 1 73 73 VAL N N 73 117.510 117.510 119.798 -2.288 18713 4382 1 7 . 1 1 73 73 VAL HA H 73 3.757 3.757 3.706 0.051 18713 4383 1 7 . 1 1 73 73 VAL C C 73 176.620 176.620 178.054 -1.434 18713 4384 1 7 . 1 1 73 73 VAL CA C 73 65.450 65.450 66.680 -1.230 18713 4385 1 7 . 1 1 73 73 VAL CB C 73 31.540 31.540 31.437 0.103 18713 4386 1 7 . 1 1 73 73 VAL H H 73 7.869 7.869 7.986 -0.117 18713 4387 1 7 . 1 1 74 74 ARG N N 74 120.440 120.440 120.002 0.438 18713 4388 1 7 . 1 1 74 74 ARG HA H 74 3.649 3.649 4.036 -0.387 18713 4389 1 7 . 1 1 74 74 ARG C C 74 176.860 176.860 178.689 -1.829 18713 4390 1 7 . 1 1 74 74 ARG CA C 74 59.950 59.950 59.971 -0.021 18713 4391 1 7 . 1 1 74 74 ARG CB C 74 30.070 30.070 30.055 0.015 18713 4392 1 7 . 1 1 74 74 ARG H H 74 8.335 8.335 8.447 -0.112 18713 4393 1 7 . 1 1 75 75 ALA N N 75 119.490 119.490 121.986 -2.496 18713 4394 1 7 . 1 1 75 75 ALA HA H 75 4.157 4.157 4.253 -0.096 18713 4395 1 7 . 1 1 75 75 ALA C C 75 180.380 180.380 179.755 0.625 18713 4396 1 7 . 1 1 75 75 ALA CA C 75 55.540 55.540 54.849 0.691 18713 4397 1 7 . 1 1 75 75 ALA CB C 75 18.320 18.320 18.353 -0.033 18713 4398 1 7 . 1 1 75 75 ALA H H 75 7.725 7.725 8.339 -0.614 18713 4399 1 7 . 1 1 76 76 VAL N N 76 116.910 116.910 119.196 -2.286 18713 4400 1 7 . 1 1 76 76 VAL HA H 76 4.125 4.125 3.784 0.341 18713 4401 1 7 . 1 1 76 76 VAL C C 76 178.340 178.340 177.420 0.920 18713 4402 1 7 . 1 1 76 76 VAL CA C 76 64.950 64.950 65.484 -0.534 18713 4403 1 7 . 1 1 76 76 VAL CB C 76 31.820 31.820 32.010 -0.190 18713 4404 1 7 . 1 1 76 76 VAL H H 76 7.814 7.814 7.954 -0.140 18713 4405 1 7 . 1 1 77 77 LEU N N 77 121.020 121.020 120.845 0.175 18713 4406 1 7 . 1 1 77 77 LEU HA H 77 4.425 4.425 3.899 0.526 18713 4407 1 7 . 1 1 77 77 LEU C C 77 177.930 177.930 178.329 -0.399 18713 4408 1 7 . 1 1 77 77 LEU CA C 77 57.250 57.250 58.149 -0.899 18713 4409 1 7 . 1 1 77 77 LEU CB C 77 43.010 43.010 41.499 1.511 18713 4410 1 7 . 1 1 77 77 LEU H H 77 8.389 8.389 8.253 0.136 18713 4411 1 7 . 1 1 78 78 LYS N N 78 120.530 120.530 120.348 0.182 18713 4412 1 7 . 1 1 78 78 LYS HA H 78 3.907 3.907 4.068 -0.161 18713 4413 1 7 . 1 1 78 78 LYS C C 78 177.320 177.320 178.362 -1.042 18713 4414 1 7 . 1 1 78 78 LYS CA C 78 61.350 61.350 60.617 0.733 18713 4415 1 7 . 1 1 78 78 LYS CB C 78 32.450 32.450 32.093 0.357 18713 4416 1 7 . 1 1 78 78 LYS H H 78 8.757 8.757 8.339 0.418 18713 4417 1 7 . 1 1 79 79 SER N N 79 113.040 113.040 115.077 -2.037 18713 4418 1 7 . 1 1 79 79 SER HA H 79 4.270 4.270 4.126 0.144 18713 4419 1 7 . 1 1 79 79 SER C C 79 177.320 177.320 176.543 0.777 18713 4420 1 7 . 1 1 79 79 SER CA C 79 62.250 62.250 61.520 0.730 18713 4421 1 7 . 1 1 79 79 SER CB C 79 63.050 63.050 62.984 0.066 18713 4422 1 7 . 1 1 79 79 SER H H 79 8.055 8.055 7.674 0.381 18713 4423 1 7 . 1 1 80 80 PHE N N 80 123.520 123.520 123.172 0.348 18713 4424 1 7 . 1 1 80 80 PHE HA H 80 4.255 4.255 4.166 0.089 18713 4425 1 7 . 1 1 80 80 PHE C C 80 176.480 176.480 176.966 -0.486 18713 4426 1 7 . 1 1 80 80 PHE CA C 80 60.650 60.650 61.236 -0.586 18713 4427 1 7 . 1 1 80 80 PHE CB C 80 39.450 39.450 38.941 0.509 18713 4428 1 7 . 1 1 80 80 PHE H H 80 7.734 7.734 8.007 -0.273 18713 4429 1 7 . 1 1 81 81 LEU N N 81 119.370 119.370 119.784 -0.414 18713 4430 1 7 . 1 1 81 81 LEU HA H 81 3.558 3.558 3.382 0.176 18713 4431 1 7 . 1 1 81 81 LEU C C 81 178.280 178.280 179.051 -0.771 18713 4432 1 7 . 1 1 81 81 LEU CA C 81 57.650 57.650 58.261 -0.611 18713 4433 1 7 . 1 1 81 81 LEU CB C 81 42.750 42.750 41.487 1.263 18713 4434 1 7 . 1 1 81 81 LEU H H 81 8.693 8.693 9.036 -0.343 18713 4435 1 7 . 1 1 82 82 GLU N N 82 118.350 118.350 118.678 -0.328 18713 4436 1 7 . 1 1 82 82 GLU HA H 82 3.785 3.785 3.890 -0.105 18713 4437 1 7 . 1 1 82 82 GLU C C 82 177.870 177.870 179.156 -1.286 18713 4438 1 7 . 1 1 82 82 GLU CA C 82 60.550 60.550 59.448 1.102 18713 4439 1 7 . 1 1 82 82 GLU CB C 82 29.280 29.280 28.905 0.375 18713 4440 1 7 . 1 1 82 82 GLU H H 82 8.869 8.869 8.693 0.176 18713 4441 1 7 . 1 1 83 83 SER N N 83 113.610 113.610 115.308 -1.698 18713 4442 1 7 . 1 1 83 83 SER HA H 83 4.165 4.165 4.141 0.024 18713 4443 1 7 . 1 1 83 83 SER C C 83 177.830 177.830 176.830 1.000 18713 4444 1 7 . 1 1 83 83 SER CA C 83 61.150 61.150 61.570 -0.420 18713 4445 1 7 . 1 1 83 83 SER CB C 83 62.750 62.750 62.884 -0.134 18713 4446 1 7 . 1 1 83 83 SER H H 83 7.474 7.474 8.240 -0.766 18713 4447 1 7 . 1 1 84 84 VAL N N 84 121.040 121.040 122.399 -1.359 18713 4448 1 7 . 1 1 84 84 VAL HA H 84 3.660 3.660 3.520 0.140 18713 4449 1 7 . 1 1 84 84 VAL C C 84 179.270 179.270 178.044 1.226 18713 4450 1 7 . 1 1 84 84 VAL CA C 84 65.750 65.750 66.699 -0.949 18713 4451 1 7 . 1 1 84 84 VAL CB C 84 32.030 32.030 31.394 0.636 18713 4452 1 7 . 1 1 84 84 VAL H H 84 7.668 7.668 8.046 -0.378 18713 4453 1 7 . 1 1 85 85 ILE N N 85 123.350 123.350 119.689 3.661 18713 4454 1 7 . 1 1 85 85 ILE HA H 85 3.537 3.537 3.560 -0.023 18713 4455 1 7 . 1 1 85 85 ILE C C 85 176.550 176.550 177.967 -1.417 18713 4456 1 7 . 1 1 85 85 ILE CA C 85 66.710 66.710 65.522 1.188 18713 4457 1 7 . 1 1 85 85 ILE CB C 85 36.210 36.210 37.487 -1.277 18713 4458 1 7 . 1 1 85 85 ILE H H 85 9.086 9.086 7.864 1.222 18713 4459 1 7 . 1 1 86 86 ARG N N 86 120.150 120.150 119.664 0.486 18713 4460 1 7 . 1 1 86 86 ARG HA H 86 3.802 3.802 3.912 -0.110 18713 4461 1 7 . 1 1 86 86 ARG C C 86 178.920 178.920 178.758 0.162 18713 4462 1 7 . 1 1 86 86 ARG CA C 86 59.980 59.980 60.211 -0.231 18713 4463 1 7 . 1 1 86 86 ARG CB C 86 29.650 29.650 29.983 -0.333 18713 4464 1 7 . 1 1 86 86 ARG H H 86 8.125 8.125 7.745 0.380 18713 4465 1 7 . 1 1 87 87 ASP N N 87 118.810 118.810 119.793 -0.983 18713 4466 1 7 . 1 1 87 87 ASP HA H 87 4.537 4.537 4.515 0.022 18713 4467 1 7 . 1 1 87 87 ASP C C 87 178.050 178.050 178.892 -0.842 18713 4468 1 7 . 1 1 87 87 ASP CA C 87 57.140 57.140 57.000 0.140 18713 4469 1 7 . 1 1 87 87 ASP CB C 87 40.520 40.520 40.187 0.333 18713 4470 1 7 . 1 1 87 87 ASP H H 87 7.668 7.668 8.386 -0.718 18713 4471 1 7 . 1 1 88 88 SER N N 88 119.350 119.350 117.774 1.576 18713 4472 1 7 . 1 1 88 88 SER HA H 88 4.166 4.166 4.739 -0.573 18713 4473 1 7 . 1 1 88 88 SER C C 88 175.350 175.350 176.674 -1.324 18713 4474 1 7 . 1 1 88 88 SER CA C 88 57.170 57.170 62.051 -4.881 18713 4475 1 7 . 1 1 88 88 SER CB C 88 64.050 64.050 63.284 0.766 18713 4476 1 7 . 1 1 88 88 SER H H 88 8.506 8.506 8.367 0.139 18713 4477 1 7 . 1 1 89 89 VAL N N 89 121.240 121.240 122.642 -1.402 18713 4478 1 7 . 1 1 89 89 VAL HA H 89 3.611 3.611 3.923 -0.312 18713 4479 1 7 . 1 1 89 89 VAL C C 89 177.440 177.440 178.256 -0.816 18713 4480 1 7 . 1 1 89 89 VAL CA C 89 65.990 65.990 66.568 -0.578 18713 4481 1 7 . 1 1 89 89 VAL CB C 89 31.240 31.240 31.519 -0.279 18713 4482 1 7 . 1 1 89 89 VAL H H 89 8.505 8.505 8.756 -0.251 18713 4483 1 7 . 1 1 90 90 THR N N 90 117.040 117.040 117.511 -0.471 18713 4484 1 7 . 1 1 90 90 THR HA H 90 4.013 4.013 3.993 0.020 18713 4485 1 7 . 1 1 90 90 THR C C 90 177.410 177.410 176.818 0.592 18713 4486 1 7 . 1 1 90 90 THR CA C 90 66.550 66.550 67.129 -0.579 18713 4487 1 7 . 1 1 90 90 THR CB C 90 68.220 68.220 68.743 -0.523 18713 4488 1 7 . 1 1 90 90 THR H H 90 8.016 8.016 7.554 0.462 18713 4489 1 7 . 1 1 91 91 TYR N N 91 122.770 122.770 120.391 2.379 18713 4490 1 7 . 1 1 91 91 TYR HA H 91 4.162 4.162 4.411 -0.249 18713 4491 1 7 . 1 1 91 91 TYR C C 91 178.180 178.180 178.432 -0.252 18713 4492 1 7 . 1 1 91 91 TYR CA C 91 62.470 62.470 61.272 1.198 18713 4493 1 7 . 1 1 91 91 TYR CB C 91 38.030 38.030 38.051 -0.021 18713 4494 1 7 . 1 1 91 91 TYR H H 91 7.822 7.822 8.205 -0.383 18713 4495 1 7 . 1 1 92 92 THR N N 92 119.350 119.350 113.663 5.687 18713 4496 1 7 . 1 1 92 92 THR HA H 92 3.678 3.678 4.007 -0.329 18713 4497 1 7 . 1 1 92 92 THR C C 92 175.880 175.880 177.079 -1.199 18713 4498 1 7 . 1 1 92 92 THR CA C 92 67.390 67.390 66.621 0.769 18713 4499 1 7 . 1 1 92 92 THR CB C 92 69.190 69.190 68.672 0.518 18713 4500 1 7 . 1 1 92 92 THR H H 92 8.160 8.160 8.856 -0.696 18713 4501 1 7 . 1 1 93 93 GLU N N 93 118.840 118.840 122.325 -3.485 18713 4502 1 7 . 1 1 93 93 GLU HA H 93 4.238 4.238 3.991 0.247 18713 4503 1 7 . 1 1 93 93 GLU C C 93 181.340 181.340 179.255 2.085 18713 4504 1 7 . 1 1 93 93 GLU CA C 93 58.290 58.290 59.436 -1.146 18713 4505 1 7 . 1 1 93 93 GLU CB C 93 28.890 28.890 29.387 -0.497 18713 4506 1 7 . 1 1 93 93 GLU H H 93 8.514 8.514 8.839 -0.325 18713 4507 1 7 . 1 1 94 94 HIS N N 94 120.870 120.870 120.218 0.652 18713 4508 1 7 . 1 1 94 94 HIS HA H 94 4.465 4.465 4.383 0.082 18713 4509 1 7 . 1 1 94 94 HIS C C 94 175.390 175.390 175.757 -0.367 18713 4510 1 7 . 1 1 94 94 HIS CA C 94 58.250 58.250 59.014 -0.764 18713 4511 1 7 . 1 1 94 94 HIS CB C 94 28.110 28.110 30.089 -1.979 18713 4512 1 7 . 1 1 94 94 HIS H H 94 8.531 8.531 8.173 0.358 18713 4513 1 7 . 1 1 95 95 ALA N N 95 121.010 121.010 119.483 1.527 18713 4514 1 7 . 1 1 95 95 ALA HA H 95 4.335 4.335 4.492 -0.157 18713 4515 1 7 . 1 1 95 95 ALA C C 95 175.380 175.380 175.817 -0.437 18713 4516 1 7 . 1 1 95 95 ALA CA C 95 51.750 51.750 51.507 0.243 18713 4517 1 7 . 1 1 95 95 ALA CB C 95 18.710 18.710 19.374 -0.664 18713 4518 1 7 . 1 1 95 95 ALA H H 95 7.525 7.525 7.666 -0.141 18713 4519 1 7 . 1 1 96 96 LYS N N 96 115.990 115.990 114.836 1.154 18713 4520 1 7 . 1 1 96 96 LYS HA H 96 3.955 3.955 3.853 0.102 18713 4521 1 7 . 1 1 96 96 LYS C C 96 175.020 175.020 176.110 -1.090 18713 4522 1 7 . 1 1 96 96 LYS CA C 96 56.590 56.590 57.407 -0.817 18713 4523 1 7 . 1 1 96 96 LYS CB C 96 28.650 28.650 29.085 -0.435 18713 4524 1 7 . 1 1 96 96 LYS H H 96 8.232 8.232 8.157 0.075 18713 4525 1 7 . 1 1 97 97 ARG N N 97 116.850 116.850 119.554 -2.704 18713 4526 1 7 . 1 1 97 97 ARG HA H 97 4.651 4.651 4.376 0.275 18713 4527 1 7 . 1 1 97 97 ARG C C 97 175.250 175.250 175.692 -0.442 18713 4528 1 7 . 1 1 97 97 ARG CA C 97 55.010 55.010 55.199 -0.189 18713 4529 1 7 . 1 1 97 97 ARG CB C 97 35.170 35.170 32.264 2.906 18713 4530 1 7 . 1 1 97 97 ARG H H 97 7.685 7.685 8.367 -0.682 18713 4531 1 7 . 1 1 98 98 LYS N N 98 115.990 115.990 120.968 -4.978 18713 4532 1 7 . 1 1 98 98 LYS HA H 98 4.409 4.409 4.579 -0.170 18713 4533 1 7 . 1 1 98 98 LYS C C 98 174.320 174.320 174.610 -0.290 18713 4534 1 7 . 1 1 98 98 LYS CA C 98 54.500 54.500 55.755 -1.255 18713 4535 1 7 . 1 1 98 98 LYS CB C 98 33.590 33.590 32.428 1.162 18713 4536 1 7 . 1 1 98 98 LYS H H 98 8.232 8.232 8.367 -0.135 18713 4537 1 7 . 1 1 99 99 THR N N 99 114.310 114.310 114.763 -0.453 18713 4538 1 7 . 1 1 99 99 THR HA H 99 4.769 4.769 4.824 -0.055 18713 4539 1 7 . 1 1 99 99 THR C C 99 172.170 172.170 172.831 -0.661 18713 4540 1 7 . 1 1 99 99 THR CA C 99 60.510 60.510 61.547 -1.036 18713 4541 1 7 . 1 1 99 99 THR CB C 99 70.180 70.180 72.279 -2.099 18713 4542 1 7 . 1 1 99 99 THR H H 99 6.768 6.768 7.893 -1.125 18713 4543 1 7 . 1 1 100 100 VAL N N 100 128.820 128.820 124.608 4.212 18713 4544 1 7 . 1 1 100 100 VAL HA H 100 3.987 3.987 4.166 -0.179 18713 4545 1 7 . 1 1 100 100 VAL C C 100 175.690 175.690 174.763 0.927 18713 4546 1 7 . 1 1 100 100 VAL CA C 100 61.950 61.950 60.021 1.929 18713 4547 1 7 . 1 1 100 100 VAL CB C 100 32.290 32.290 31.844 0.446 18713 4548 1 7 . 1 1 100 100 VAL H H 100 8.690 8.690 9.109 -0.419 18713 4549 1 7 . 1 1 101 101 THR N N 101 118.310 118.310 116.150 2.160 18713 4550 1 7 . 1 1 101 101 THR HA H 101 4.798 4.798 4.679 0.119 18713 4551 1 7 . 1 1 101 101 THR C C 101 176.460 176.460 175.084 1.376 18713 4552 1 7 . 1 1 101 101 THR CA C 101 59.990 59.990 59.702 0.289 18713 4553 1 7 . 1 1 101 101 THR CB C 101 72.550 72.550 71.962 0.588 18713 4554 1 7 . 1 1 101 101 THR H H 101 9.263 9.263 8.205 1.058 18713 4555 1 7 . 1 1 102 102 SER N N 102 115.810 115.810 118.797 -2.987 18713 4556 1 7 . 1 1 102 102 SER HA H 102 3.913 3.913 4.074 -0.161 18713 4557 1 7 . 1 1 102 102 SER C C 102 175.210 175.210 176.328 -1.118 18713 4558 1 7 . 1 1 102 102 SER CA C 102 61.850 61.850 61.179 0.671 18713 4559 1 7 . 1 1 102 102 SER CB C 102 61.850 61.850 62.695 -0.845 18713 4560 1 7 . 1 1 102 102 SER H H 102 9.148 9.148 8.803 0.345 18713 4561 1 7 . 1 1 103 103 LEU N N 103 121.540 121.540 122.708 -1.168 18713 4562 1 7 . 1 1 103 103 LEU HA H 103 3.965 3.965 3.876 0.089 18713 4563 1 7 . 1 1 103 103 LEU C C 103 177.780 177.780 178.107 -0.327 18713 4564 1 7 . 1 1 103 103 LEU CA C 103 57.630 57.630 58.030 -0.400 18713 4565 1 7 . 1 1 103 103 LEU CB C 103 41.430 41.430 41.213 0.217 18713 4566 1 7 . 1 1 103 103 LEU H H 103 7.389 7.389 7.679 -0.290 18713 4567 1 7 . 1 1 104 104 ASP N N 104 120.260 120.260 118.396 1.864 18713 4568 1 7 . 1 1 104 104 ASP HA H 104 4.240 4.240 3.691 0.549 18713 4569 1 7 . 1 1 104 104 ASP C C 104 177.230 177.230 178.384 -1.154 18713 4570 1 7 . 1 1 104 104 ASP CA C 104 58.140 58.140 56.574 1.566 18713 4571 1 7 . 1 1 104 104 ASP CB C 104 41.050 41.050 40.468 0.582 18713 4572 1 7 . 1 1 104 104 ASP H H 104 7.240 7.240 7.376 -0.136 18713 4573 1 7 . 1 1 105 105 VAL N N 105 118.230 118.230 120.249 -2.019 18713 4574 1 7 . 1 1 105 105 VAL HA H 105 4.025 4.025 3.673 0.352 18713 4575 1 7 . 1 1 105 105 VAL C C 105 177.550 177.550 178.113 -0.563 18713 4576 1 7 . 1 1 105 105 VAL CA C 105 65.270 65.270 66.486 -1.216 18713 4577 1 7 . 1 1 105 105 VAL CB C 105 31.570 31.570 31.378 0.192 18713 4578 1 7 . 1 1 105 105 VAL H H 105 7.150 7.150 7.607 -0.457 18713 4579 1 7 . 1 1 106 106 VAL N N 106 120.450 120.450 120.270 0.180 18713 4580 1 7 . 1 1 106 106 VAL HA H 106 3.512 3.512 3.647 -0.135 18713 4581 1 7 . 1 1 106 106 VAL C C 106 178.520 178.520 178.518 0.002 18713 4582 1 7 . 1 1 106 106 VAL CA C 106 67.440 67.440 66.739 0.701 18713 4583 1 7 . 1 1 106 106 VAL CB C 106 31.770 31.770 31.192 0.578 18713 4584 1 7 . 1 1 106 106 VAL H H 106 8.380 8.380 8.010 0.370 18713 4585 1 7 . 1 1 107 107 TYR N N 107 120.160 120.160 118.957 1.203 18713 4586 1 7 . 1 1 107 107 TYR HA H 107 4.113 4.113 4.111 0.002 18713 4587 1 7 . 1 1 107 107 TYR C C 107 177.950 177.950 177.991 -0.041 18713 4588 1 7 . 1 1 107 107 TYR CA C 107 60.150 60.150 59.155 0.995 18713 4589 1 7 . 1 1 107 107 TYR CB C 107 36.210 36.210 36.006 0.204 18713 4590 1 7 . 1 1 107 107 TYR H H 107 8.246 8.246 7.925 0.321 18713 4591 1 7 . 1 1 108 108 ALA N N 108 123.660 123.660 122.505 1.155 18713 4592 1 7 . 1 1 108 108 ALA HA H 108 4.018 4.018 4.191 -0.173 18713 4593 1 7 . 1 1 108 108 ALA C C 108 180.350 180.350 179.908 0.442 18713 4594 1 7 . 1 1 108 108 ALA CA C 108 55.670 55.670 55.002 0.668 18713 4595 1 7 . 1 1 108 108 ALA CB C 108 20.650 20.650 18.442 2.208 18713 4596 1 7 . 1 1 108 108 ALA H H 108 7.912 7.912 8.229 -0.317 18713 4597 1 7 . 1 1 109 109 LEU N N 109 119.820 119.820 118.973 0.847 18713 4598 1 7 . 1 1 109 109 LEU HA H 109 3.887 3.887 4.052 -0.165 18713 4599 1 7 . 1 1 109 109 LEU C C 109 179.290 179.290 178.995 0.295 18713 4600 1 7 . 1 1 109 109 LEU CA C 109 57.870 57.870 57.648 0.222 18713 4601 1 7 . 1 1 109 109 LEU CB C 109 41.430 41.430 41.862 -0.432 18713 4602 1 7 . 1 1 109 109 LEU H H 109 8.727 8.727 8.457 0.270 18713 4603 1 7 . 1 1 110 110 LYS N N 110 120.420 120.420 119.843 0.577 18713 4604 1 7 . 1 1 110 110 LYS HA H 110 4.158 4.158 4.317 -0.159 18713 4605 1 7 . 1 1 110 110 LYS C C 110 179.470 179.470 179.702 -0.232 18713 4606 1 7 . 1 1 110 110 LYS CA C 110 58.850 58.850 59.346 -0.497 18713 4607 1 7 . 1 1 110 110 LYS CB C 110 32.050 32.050 32.557 -0.507 18713 4608 1 7 . 1 1 110 110 LYS H H 110 8.180 8.180 8.348 -0.168 18713 4609 1 7 . 1 1 111 111 ARG N N 111 119.820 119.820 117.143 2.677 18713 4610 1 7 . 1 1 111 111 ARG HA H 111 4.142 4.142 4.236 -0.094 18713 4611 1 7 . 1 1 111 111 ARG C C 111 177.240 177.240 178.464 -1.224 18713 4612 1 7 . 1 1 111 111 ARG CA C 111 58.150 58.150 58.121 0.029 18713 4613 1 7 . 1 1 111 111 ARG CB C 111 29.810 29.810 29.652 0.158 18713 4614 1 7 . 1 1 111 111 ARG H H 111 7.765 7.765 7.896 -0.131 18713 4615 1 7 . 1 1 112 112 GLN N N 112 116.120 116.120 118.732 -2.612 18713 4616 1 7 . 1 1 112 112 GLN HA H 112 4.435 4.435 4.265 0.170 18713 4617 1 7 . 1 1 112 112 GLN C C 112 176.060 176.060 176.606 -0.546 18713 4618 1 7 . 1 1 112 112 GLN CA C 112 55.550 55.550 56.844 -1.294 18713 4619 1 7 . 1 1 112 112 GLN CB C 112 28.760 28.760 29.234 -0.474 18713 4620 1 7 . 1 1 112 112 GLN H H 112 7.856 7.856 7.705 0.151 18713 4621 1 7 . 1 1 113 113 GLY N N 113 108.070 108.070 106.688 1.382 18713 4622 1 7 . 1 1 113 113 GLY C C 113 174.240 174.240 173.969 0.271 18713 4623 1 7 . 1 1 113 113 GLY CA C 113 45.953 45.953 44.758 1.195 18713 4624 1 7 . 1 1 113 113 GLY H H 113 8.048 8.048 7.720 0.328 18713 4625 1 7 . 1 1 114 114 ARG N N 114 119.710 119.710 120.000 -0.290 18713 4626 1 7 . 1 1 114 114 ARG HA H 114 4.565 4.565 4.680 -0.115 18713 4627 1 7 . 1 1 114 114 ARG C C 114 175.490 175.490 176.491 -1.001 18713 4628 1 7 . 1 1 114 114 ARG CA C 114 57.950 57.950 54.946 3.004 18713 4629 1 7 . 1 1 114 114 ARG CB C 114 31.510 31.510 32.545 -1.035 18713 4630 1 7 . 1 1 114 114 ARG H H 114 8.116 8.116 7.522 0.594 18713 4631 1 7 . 1 1 115 115 THR N N 115 114.890 114.890 111.776 3.114 18713 4632 1 7 . 1 1 115 115 THR HA H 115 4.262 4.262 3.764 0.498 18713 4633 1 7 . 1 1 115 115 THR C C 115 173.460 173.460 173.676 -0.216 18713 4634 1 7 . 1 1 115 115 THR CA C 115 61.820 61.820 63.067 -1.247 18713 4635 1 7 . 1 1 115 115 THR CB C 115 70.050 70.050 68.155 1.895 18713 4636 1 7 . 1 1 115 115 THR H H 115 8.143 8.143 8.571 -0.428 18713 4637 1 7 . 1 1 116 116 LEU N N 116 124.070 124.070 119.905 4.165 18713 4638 1 7 . 1 1 116 116 LEU HA H 116 4.425 4.425 4.194 0.231 18713 4639 1 7 . 1 1 116 116 LEU C C 116 175.830 175.830 177.910 -2.080 18713 4640 1 7 . 1 1 116 116 LEU CA C 116 54.760 54.760 55.721 -0.961 18713 4641 1 7 . 1 1 116 116 LEU CB C 116 43.280 43.280 42.606 0.674 18713 4642 1 7 . 1 1 116 116 LEU H H 116 8.143 8.143 7.549 0.594 18713 4643 1 7 . 1 1 117 117 TYR N N 117 121.630 121.630 121.191 0.439 18713 4644 1 7 . 1 1 117 117 TYR HA H 117 4.550 4.550 4.579 -0.029 18713 4645 1 7 . 1 1 117 117 TYR C C 117 175.830 175.830 176.439 -0.609 18713 4646 1 7 . 1 1 117 117 TYR CA C 117 58.140 58.140 58.256 -0.116 18713 4647 1 7 . 1 1 117 117 TYR CB C 117 38.850 38.850 39.034 -0.184 18713 4648 1 7 . 1 1 117 117 TYR H H 117 8.213 8.213 8.410 -0.197 18713 4649 1 7 . 1 1 118 118 GLY N N 118 110.050 110.050 105.204 4.846 18713 4650 1 7 . 1 1 118 118 GLY C C 118 173.660 173.660 174.840 -1.180 18713 4651 1 7 . 1 1 118 118 GLY CA C 118 45.470 45.470 45.204 0.266 18713 4652 1 7 . 1 1 118 118 GLY H H 118 8.275 8.275 8.065 0.210 18713 4653 1 7 . 1 1 119 119 PHE N N 119 119.610 119.610 120.943 -1.333 18713 4654 1 7 . 1 1 119 119 PHE HA H 119 4.612 4.612 4.490 0.122 18713 4655 1 7 . 1 1 119 119 PHE C C 119 175.280 175.280 177.300 -2.020 18713 4656 1 7 . 1 1 119 119 PHE CA C 119 58.060 58.060 59.941 -1.881 18713 4657 1 7 . 1 1 119 119 PHE CB C 119 40.050 40.050 39.335 0.715 18713 4658 1 7 . 1 1 119 119 PHE H H 119 8.033 8.033 8.088 -0.055 18713 4659 1 7 . 1 1 120 120 GLY N N 120 110.930 110.930 107.211 3.719 18713 4660 1 7 . 1 1 120 120 GLY C C 120 173.050 173.050 174.254 -1.204 18713 4661 1 7 . 1 1 120 120 GLY CA C 120 45.650 45.650 44.618 1.032 18713 4662 1 7 . 1 1 120 120 GLY H H 120 8.334 8.334 8.004 0.330 18713 4663 1 8 . 1 1 2 2 ILE HA H 2 4.175 4.175 4.112 0.063 18713 4664 1 8 . 1 1 2 2 ILE CA C 2 61.880 61.880 63.089 -1.209 18713 4665 1 8 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.932 -0.162 18713 4666 1 8 . 1 1 3 3 SER N N 3 116.020 116.020 116.113 -0.093 18713 4667 1 8 . 1 1 3 3 SER HA H 3 4.435 4.435 4.192 0.243 18713 4668 1 8 . 1 1 3 3 SER CA C 3 59.590 59.590 60.182 -0.592 18713 4669 1 8 . 1 1 3 3 SER CB C 3 63.640 63.640 62.953 0.687 18713 4670 1 8 . 1 1 3 3 SER H H 3 7.913 7.913 7.886 0.027 18713 4671 1 8 . 1 1 4 4 LYS N N 4 120.030 120.030 121.653 -1.623 18713 4672 1 8 . 1 1 4 4 LYS HA H 4 4.380 4.380 4.010 0.370 18713 4673 1 8 . 1 1 4 4 LYS CA C 4 56.150 56.150 56.651 -0.501 18713 4674 1 8 . 1 1 4 4 LYS CB C 4 32.850 32.850 31.214 1.636 18713 4675 1 8 . 1 1 4 4 LYS H H 4 7.979 7.979 7.553 0.426 18713 4676 1 8 . 1 1 7 7 PHE HA H 7 4.023 4.023 4.195 -0.172 18713 4677 1 8 . 1 1 7 7 PHE C C 7 176.700 176.700 176.865 -0.165 18713 4678 1 8 . 1 1 7 7 PHE CA C 7 63.150 63.150 60.808 2.342 18713 4679 1 8 . 1 1 7 7 PHE CB C 7 39.880 39.880 38.752 1.128 18713 4680 1 8 . 1 1 8 8 ALA N N 8 121.230 121.230 122.076 -0.846 18713 4681 1 8 . 1 1 8 8 ALA HA H 8 3.920 3.920 3.708 0.212 18713 4682 1 8 . 1 1 8 8 ALA C C 8 178.010 178.010 179.562 -1.552 18713 4683 1 8 . 1 1 8 8 ALA CA C 8 55.630 55.630 55.038 0.592 18713 4684 1 8 . 1 1 8 8 ALA CB C 8 17.750 17.750 18.148 -0.398 18713 4685 1 8 . 1 1 8 8 ALA H H 8 8.715 8.715 7.916 0.799 18713 4686 1 8 . 1 1 9 9 ARG N N 9 118.910 118.910 118.173 0.737 18713 4687 1 8 . 1 1 9 9 ARG HA H 9 4.081 4.081 3.964 0.117 18713 4688 1 8 . 1 1 9 9 ARG C C 9 177.790 177.790 178.783 -0.993 18713 4689 1 8 . 1 1 9 9 ARG CA C 9 58.700 58.700 59.205 -0.505 18713 4690 1 8 . 1 1 9 9 ARG CB C 9 30.120 30.120 30.144 -0.024 18713 4691 1 8 . 1 1 9 9 ARG H H 9 7.618 7.618 7.469 0.149 18713 4692 1 8 . 1 1 10 10 LEU N N 10 120.830 120.830 120.672 0.158 18713 4693 1 8 . 1 1 10 10 LEU HA H 10 4.233 4.233 4.029 0.204 18713 4694 1 8 . 1 1 10 10 LEU C C 10 177.780 177.780 178.806 -1.026 18713 4695 1 8 . 1 1 10 10 LEU CA C 10 57.680 57.680 58.172 -0.492 18713 4696 1 8 . 1 1 10 10 LEU CB C 10 41.680 41.680 41.571 0.109 18713 4697 1 8 . 1 1 10 10 LEU H H 10 7.752 7.752 8.327 -0.575 18713 4698 1 8 . 1 1 11 11 VAL N N 11 117.150 117.150 119.430 -2.280 18713 4699 1 8 . 1 1 11 11 VAL HA H 11 3.425 3.425 3.449 -0.024 18713 4700 1 8 . 1 1 11 11 VAL C C 11 177.830 177.830 177.101 0.729 18713 4701 1 8 . 1 1 11 11 VAL CA C 11 66.930 66.930 66.734 0.196 18713 4702 1 8 . 1 1 11 11 VAL CB C 11 31.520 31.520 31.430 0.090 18713 4703 1 8 . 1 1 11 11 VAL H H 11 8.180 8.180 8.209 -0.029 18713 4704 1 8 . 1 1 12 12 LYS N N 12 121.880 121.880 119.615 2.265 18713 4705 1 8 . 1 1 12 12 LYS HA H 12 3.998 3.998 4.065 -0.067 18713 4706 1 8 . 1 1 12 12 LYS C C 12 176.790 176.790 179.551 -2.761 18713 4707 1 8 . 1 1 12 12 LYS CA C 12 58.950 58.950 59.566 -0.616 18713 4708 1 8 . 1 1 12 12 LYS CB C 12 32.120 32.120 32.029 0.091 18713 4709 1 8 . 1 1 12 12 LYS H H 12 7.668 7.668 7.782 -0.114 18713 4710 1 8 . 1 1 13 13 GLU N N 13 118.250 118.250 119.978 -1.728 18713 4711 1 8 . 1 1 13 13 GLU HA H 13 4.085 4.085 4.050 0.035 18713 4712 1 8 . 1 1 13 13 GLU C C 13 179.280 179.280 178.704 0.576 18713 4713 1 8 . 1 1 13 13 GLU CA C 13 59.650 59.650 59.207 0.443 18713 4714 1 8 . 1 1 13 13 GLU CB C 13 29.770 29.770 29.594 0.176 18713 4715 1 8 . 1 1 13 13 GLU H H 13 8.149 8.149 8.014 0.135 18713 4716 1 8 . 1 1 14 14 VAL N N 14 117.450 117.450 119.249 -1.799 18713 4717 1 8 . 1 1 14 14 VAL HA H 14 4.007 4.007 3.489 0.518 18713 4718 1 8 . 1 1 14 14 VAL C C 14 178.350 178.350 177.898 0.452 18713 4719 1 8 . 1 1 14 14 VAL CA C 14 66.220 66.220 66.404 -0.184 18713 4720 1 8 . 1 1 14 14 VAL CB C 14 31.250 31.250 31.080 0.170 18713 4721 1 8 . 1 1 14 14 VAL H H 14 7.974 7.974 8.461 -0.487 18713 4722 1 8 . 1 1 15 15 THR N N 15 113.780 113.780 112.529 1.251 18713 4723 1 8 . 1 1 15 15 THR HA H 15 3.771 3.771 3.538 0.233 18713 4724 1 8 . 1 1 15 15 THR C C 15 178.190 178.190 176.254 1.936 18713 4725 1 8 . 1 1 15 15 THR CA C 15 66.990 66.990 66.285 0.705 18713 4726 1 8 . 1 1 15 15 THR CB C 15 68.590 68.590 68.258 0.332 18713 4727 1 8 . 1 1 15 15 THR H H 15 8.569 8.569 8.326 0.243 18713 4728 1 8 . 1 1 16 16 ASP N N 16 123.420 123.420 122.398 1.022 18713 4729 1 8 . 1 1 16 16 ASP HA H 16 4.545 4.545 4.333 0.212 18713 4730 1 8 . 1 1 16 16 ASP C C 16 178.450 178.450 178.054 0.396 18713 4731 1 8 . 1 1 16 16 ASP CA C 16 57.410 57.410 57.140 0.270 18713 4732 1 8 . 1 1 16 16 ASP CB C 16 39.880 39.880 39.780 0.100 18713 4733 1 8 . 1 1 16 16 ASP H H 16 8.664 8.664 8.127 0.537 18713 4734 1 8 . 1 1 17 17 GLU N N 17 120.180 120.180 118.345 1.835 18713 4735 1 8 . 1 1 17 17 GLU HA H 17 4.089 4.089 4.089 0.000 18713 4736 1 8 . 1 1 17 17 GLU C C 17 178.220 178.220 179.725 -1.505 18713 4737 1 8 . 1 1 17 17 GLU CA C 17 59.050 59.050 58.877 0.173 18713 4738 1 8 . 1 1 17 17 GLU CB C 17 28.850 28.850 29.352 -0.502 18713 4739 1 8 . 1 1 17 17 GLU H H 17 7.705 7.705 7.409 0.296 18713 4740 1 8 . 1 1 18 18 PHE N N 18 117.450 117.450 118.572 -1.122 18713 4741 1 8 . 1 1 18 18 PHE HA H 18 4.396 4.396 4.526 -0.130 18713 4742 1 8 . 1 1 18 18 PHE C C 18 177.130 177.130 177.403 -0.273 18713 4743 1 8 . 1 1 18 18 PHE CA C 18 60.720 60.720 58.043 2.677 18713 4744 1 8 . 1 1 18 18 PHE CB C 18 39.880 39.880 38.050 1.830 18713 4745 1 8 . 1 1 18 18 PHE H H 18 7.911 7.911 7.428 0.483 18713 4746 1 8 . 1 1 19 19 THR N N 19 115.450 115.450 112.994 2.456 18713 4747 1 8 . 1 1 19 19 THR HA H 19 4.510 4.510 4.417 0.093 18713 4748 1 8 . 1 1 19 19 THR C C 19 175.160 175.160 175.398 -0.238 18713 4749 1 8 . 1 1 19 19 THR CA C 19 63.880 63.880 63.618 0.262 18713 4750 1 8 . 1 1 19 19 THR CB C 19 69.450 69.450 68.090 1.360 18713 4751 1 8 . 1 1 19 19 THR H H 19 8.270 8.270 8.837 -0.567 18713 4752 1 8 . 1 1 20 20 THR N N 20 114.370 114.370 116.906 -2.536 18713 4753 1 8 . 1 1 20 20 THR HA H 20 4.262 4.262 4.008 0.254 18713 4754 1 8 . 1 1 20 20 THR C C 20 175.280 175.280 175.037 0.243 18713 4755 1 8 . 1 1 20 20 THR CA C 20 63.850 63.850 65.002 -1.152 18713 4756 1 8 . 1 1 20 20 THR CB C 20 69.250 69.250 68.438 0.812 18713 4757 1 8 . 1 1 20 20 THR H H 20 7.974 7.974 7.502 0.472 18713 4758 1 8 . 1 1 21 21 LYS N N 21 119.710 119.710 119.122 0.588 18713 4759 1 8 . 1 1 21 21 LYS HA H 21 4.291 4.291 4.283 0.008 18713 4760 1 8 . 1 1 21 21 LYS C C 21 176.070 176.070 177.684 -1.614 18713 4761 1 8 . 1 1 21 21 LYS CA C 21 57.180 57.180 56.613 0.567 18713 4762 1 8 . 1 1 21 21 LYS CB C 21 32.830 32.830 31.696 1.134 18713 4763 1 8 . 1 1 21 21 LYS H H 21 7.519 7.519 7.692 -0.173 18713 4764 1 8 . 1 1 22 22 ASP N N 22 119.020 119.020 122.787 -3.767 18713 4765 1 8 . 1 1 22 22 ASP HA H 22 4.730 4.730 4.644 0.086 18713 4766 1 8 . 1 1 22 22 ASP C C 22 175.080 175.080 176.349 -1.269 18713 4767 1 8 . 1 1 22 22 ASP CA C 22 53.770 53.770 54.413 -0.643 18713 4768 1 8 . 1 1 22 22 ASP CB C 22 39.990 39.990 38.649 1.341 18713 4769 1 8 . 1 1 22 22 ASP H H 22 7.841 7.841 8.149 -0.308 18713 4770 1 8 . 1 1 23 23 GLN N N 23 120.720 120.720 116.745 3.975 18713 4771 1 8 . 1 1 23 23 GLN HA H 23 4.425 4.425 4.084 0.341 18713 4772 1 8 . 1 1 23 23 GLN C C 23 175.860 175.860 176.505 -0.645 18713 4773 1 8 . 1 1 23 23 GLN CA C 23 57.530 57.530 58.194 -0.664 18713 4774 1 8 . 1 1 23 23 GLN CB C 23 29.050 29.050 28.788 0.262 18713 4775 1 8 . 1 1 23 23 GLN H H 23 8.313 8.313 8.396 -0.083 18713 4776 1 8 . 1 1 24 24 ASP N N 24 119.150 119.150 114.036 5.114 18713 4777 1 8 . 1 1 24 24 ASP HA H 24 4.655 4.655 4.727 -0.072 18713 4778 1 8 . 1 1 24 24 ASP C C 24 174.840 174.840 174.957 -0.117 18713 4779 1 8 . 1 1 24 24 ASP CA C 24 54.560 54.560 53.818 0.742 18713 4780 1 8 . 1 1 24 24 ASP CB C 24 41.290 41.290 42.481 -1.191 18713 4781 1 8 . 1 1 24 24 ASP H H 24 8.313 8.313 8.171 0.142 18713 4782 1 8 . 1 1 25 25 LEU N N 25 121.240 121.240 120.913 0.327 18713 4783 1 8 . 1 1 25 25 LEU HA H 25 4.602 4.602 4.212 0.390 18713 4784 1 8 . 1 1 25 25 LEU C C 25 176.550 176.550 176.612 -0.062 18713 4785 1 8 . 1 1 25 25 LEU CA C 25 55.060 55.060 55.982 -0.922 18713 4786 1 8 . 1 1 25 25 LEU CB C 25 43.520 43.520 42.648 0.872 18713 4787 1 8 . 1 1 25 25 LEU H H 25 7.572 7.572 8.058 -0.486 18713 4788 1 8 . 1 1 26 26 ARG N N 26 123.560 123.560 120.697 2.863 18713 4789 1 8 . 1 1 26 26 ARG HA H 26 4.787 4.787 4.662 0.125 18713 4790 1 8 . 1 1 26 26 ARG C C 26 174.040 174.040 174.444 -0.404 18713 4791 1 8 . 1 1 26 26 ARG CA C 26 54.010 54.010 54.844 -0.835 18713 4792 1 8 . 1 1 26 26 ARG CB C 26 33.170 33.170 33.508 -0.338 18713 4793 1 8 . 1 1 26 26 ARG H H 26 8.385 8.385 8.355 0.030 18713 4794 1 8 . 1 1 27 27 TRP N N 27 121.230 121.230 125.086 -3.856 18713 4795 1 8 . 1 1 27 27 TRP HA H 27 4.608 4.608 4.920 -0.312 18713 4796 1 8 . 1 1 27 27 TRP C C 27 176.280 176.280 176.542 -0.262 18713 4797 1 8 . 1 1 27 27 TRP CA C 27 56.110 56.110 56.764 -0.654 18713 4798 1 8 . 1 1 27 27 TRP CB C 27 30.350 30.350 29.661 0.689 18713 4799 1 8 . 1 1 27 27 TRP H H 27 8.824 8.824 8.810 0.014 18713 4800 1 8 . 1 1 28 28 GLN N N 28 122.270 122.270 124.791 -2.521 18713 4801 1 8 . 1 1 28 28 GLN HA H 28 4.163 4.163 4.651 -0.488 18713 4802 1 8 . 1 1 28 28 GLN C C 28 176.280 176.280 177.410 -1.130 18713 4803 1 8 . 1 1 28 28 GLN CA C 28 56.850 56.850 54.602 2.248 18713 4804 1 8 . 1 1 28 28 GLN CB C 28 32.830 32.830 29.557 3.273 18713 4805 1 8 . 1 1 28 28 GLN H H 28 8.427 8.427 7.985 0.442 18713 4806 1 8 . 1 1 29 29 SER HA H 29 4.276 4.276 4.168 0.108 18713 4807 1 8 . 1 1 29 29 SER CA C 29 63.180 63.180 61.481 1.699 18713 4808 1 8 . 1 1 29 29 SER CB C 29 62.930 62.930 62.989 -0.059 18713 4809 1 8 . 1 1 30 30 MET HA H 30 4.430 4.430 4.342 0.088 18713 4810 1 8 . 1 1 30 30 MET C C 30 178.450 178.450 177.796 0.654 18713 4811 1 8 . 1 1 30 30 MET CA C 30 57.760 57.760 58.398 -0.638 18713 4812 1 8 . 1 1 30 30 MET CB C 30 32.120 32.120 31.995 0.125 18713 4813 1 8 . 1 1 31 31 ALA N N 31 122.750 122.750 122.999 -0.249 18713 4814 1 8 . 1 1 31 31 ALA HA H 31 4.015 4.015 3.885 0.130 18713 4815 1 8 . 1 1 31 31 ALA C C 31 178.090 178.090 179.712 -1.622 18713 4816 1 8 . 1 1 31 31 ALA CA C 31 55.430 55.430 54.987 0.443 18713 4817 1 8 . 1 1 31 31 ALA CB C 31 18.590 18.590 17.566 1.024 18713 4818 1 8 . 1 1 31 31 ALA H H 31 7.619 7.619 7.641 -0.022 18713 4819 1 8 . 1 1 32 32 ILE N N 32 117.950 117.950 117.847 0.103 18713 4820 1 8 . 1 1 32 32 ILE HA H 32 3.691 3.691 3.719 -0.028 18713 4821 1 8 . 1 1 32 32 ILE C C 32 178.410 178.410 177.823 0.587 18713 4822 1 8 . 1 1 32 32 ILE CA C 32 63.290 63.290 65.008 -1.718 18713 4823 1 8 . 1 1 32 32 ILE CB C 32 36.120 36.120 37.873 -1.753 18713 4824 1 8 . 1 1 32 32 ILE H H 32 7.503 7.503 7.258 0.245 18713 4825 1 8 . 1 1 33 33 MET N N 33 118.790 118.790 118.696 0.094 18713 4826 1 8 . 1 1 33 33 MET HA H 33 4.269 4.269 4.161 0.108 18713 4827 1 8 . 1 1 33 33 MET C C 33 177.970 177.970 178.551 -0.581 18713 4828 1 8 . 1 1 33 33 MET CA C 33 57.670 57.670 57.315 0.355 18713 4829 1 8 . 1 1 33 33 MET CB C 33 32.040 32.040 31.070 0.970 18713 4830 1 8 . 1 1 33 33 MET H H 33 8.034 8.034 7.686 0.348 18713 4831 1 8 . 1 1 34 34 ALA N N 34 122.470 122.470 122.709 -0.239 18713 4832 1 8 . 1 1 34 34 ALA HA H 34 3.944 3.944 4.159 -0.215 18713 4833 1 8 . 1 1 34 34 ALA C C 34 179.680 179.680 179.648 0.032 18713 4834 1 8 . 1 1 34 34 ALA CA C 34 55.290 55.290 55.028 0.262 18713 4835 1 8 . 1 1 34 34 ALA CB C 34 17.050 17.050 18.267 -1.217 18713 4836 1 8 . 1 1 34 34 ALA H H 34 8.007 8.007 8.619 -0.612 18713 4837 1 8 . 1 1 35 35 LEU N N 35 118.310 118.310 119.204 -0.894 18713 4838 1 8 . 1 1 35 35 LEU HA H 35 3.945 3.945 4.133 -0.188 18713 4839 1 8 . 1 1 35 35 LEU C C 35 179.630 179.630 179.546 0.084 18713 4840 1 8 . 1 1 35 35 LEU CA C 35 57.880 57.880 57.936 -0.056 18713 4841 1 8 . 1 1 35 35 LEU CB C 35 42.710 42.710 41.023 1.687 18713 4842 1 8 . 1 1 35 35 LEU H H 35 8.003 8.003 7.618 0.385 18713 4843 1 8 . 1 1 36 36 GLN N N 36 122.480 122.480 118.216 4.264 18713 4844 1 8 . 1 1 36 36 GLN HA H 36 3.718 3.718 4.152 -0.434 18713 4845 1 8 . 1 1 36 36 GLN C C 36 177.850 177.850 178.939 -1.089 18713 4846 1 8 . 1 1 36 36 GLN CA C 36 60.150 60.150 59.001 1.149 18713 4847 1 8 . 1 1 36 36 GLN CB C 36 28.150 28.150 28.209 -0.059 18713 4848 1 8 . 1 1 36 36 GLN H H 36 8.532 8.532 7.939 0.594 18713 4849 1 8 . 1 1 37 37 GLU N N 37 120.790 120.790 120.305 0.485 18713 4850 1 8 . 1 1 37 37 GLU HA H 37 4.043 4.043 4.398 -0.355 18713 4851 1 8 . 1 1 37 37 GLU C C 37 179.190 179.190 179.113 0.077 18713 4852 1 8 . 1 1 37 37 GLU CA C 37 59.650 59.650 59.062 0.588 18713 4853 1 8 . 1 1 37 37 GLU CB C 37 28.120 28.120 29.561 -1.441 18713 4854 1 8 . 1 1 37 37 GLU H H 37 8.562 8.562 8.492 0.070 18713 4855 1 8 . 1 1 38 38 ALA N N 38 121.430 121.430 122.578 -1.148 18713 4856 1 8 . 1 1 38 38 ALA HA H 38 4.228 4.228 4.032 0.196 18713 4857 1 8 . 1 1 38 38 ALA C C 38 179.740 179.740 179.846 -0.106 18713 4858 1 8 . 1 1 38 38 ALA CA C 38 54.550 54.550 55.418 -0.868 18713 4859 1 8 . 1 1 38 38 ALA CB C 38 19.050 19.050 18.303 0.747 18713 4860 1 8 . 1 1 38 38 ALA H H 38 8.626 8.626 8.443 0.183 18713 4861 1 8 . 1 1 39 39 SER N N 39 115.350 115.350 114.566 0.784 18713 4862 1 8 . 1 1 39 39 SER HA H 39 4.159 4.159 4.285 -0.126 18713 4863 1 8 . 1 1 39 39 SER C C 39 174.490 174.490 176.900 -2.410 18713 4864 1 8 . 1 1 39 39 SER CA C 39 62.550 62.550 61.713 0.837 18713 4865 1 8 . 1 1 39 39 SER CB C 39 64.580 64.580 63.186 1.394 18713 4866 1 8 . 1 1 39 39 SER H H 39 8.160 8.160 8.033 0.127 18713 4867 1 8 . 1 1 40 40 GLU N N 40 123.380 123.380 120.609 2.771 18713 4868 1 8 . 1 1 40 40 GLU HA H 40 3.545 3.545 4.164 -0.619 18713 4869 1 8 . 1 1 40 40 GLU C C 40 177.080 177.080 178.606 -1.526 18713 4870 1 8 . 1 1 40 40 GLU CA C 40 59.890 59.890 59.055 0.835 18713 4871 1 8 . 1 1 40 40 GLU CB C 40 28.150 28.150 29.304 -1.154 18713 4872 1 8 . 1 1 40 40 GLU H H 40 7.632 7.632 8.047 -0.415 18713 4873 1 8 . 1 1 41 41 ALA N N 41 120.090 120.090 122.549 -2.459 18713 4874 1 8 . 1 1 41 41 ALA HA H 41 4.007 4.007 4.097 -0.090 18713 4875 1 8 . 1 1 41 41 ALA C C 41 180.370 180.370 179.474 0.896 18713 4876 1 8 . 1 1 41 41 ALA CA C 41 54.930 54.930 54.688 0.242 18713 4877 1 8 . 1 1 41 41 ALA CB C 41 18.150 18.150 18.060 0.090 18713 4878 1 8 . 1 1 41 41 ALA H H 41 7.860 7.860 8.072 -0.212 18713 4879 1 8 . 1 1 42 42 TYR N N 42 120.400 120.400 119.924 0.476 18713 4880 1 8 . 1 1 42 42 TYR HA H 42 3.970 3.970 4.111 -0.141 18713 4881 1 8 . 1 1 42 42 TYR C C 42 177.220 177.220 177.793 -0.573 18713 4882 1 8 . 1 1 42 42 TYR CA C 42 60.350 60.350 62.141 -1.791 18713 4883 1 8 . 1 1 42 42 TYR CB C 42 38.450 38.450 38.739 -0.289 18713 4884 1 8 . 1 1 42 42 TYR H H 42 8.266 8.266 7.964 0.302 18713 4885 1 8 . 1 1 43 43 LEU N N 43 119.630 119.630 119.377 0.253 18713 4886 1 8 . 1 1 43 43 LEU HA H 43 3.812 3.812 3.908 -0.096 18713 4887 1 8 . 1 1 43 43 LEU C C 43 177.790 177.790 178.596 -0.806 18713 4888 1 8 . 1 1 43 43 LEU CA C 43 57.530 57.530 58.415 -0.885 18713 4889 1 8 . 1 1 43 43 LEU CB C 43 41.990 41.990 41.887 0.103 18713 4890 1 8 . 1 1 43 43 LEU H H 43 8.080 8.080 7.865 0.215 18713 4891 1 8 . 1 1 44 44 VAL N N 44 118.320 118.320 116.551 1.769 18713 4892 1 8 . 1 1 44 44 VAL HA H 44 3.450 3.450 3.643 -0.193 18713 4893 1 8 . 1 1 44 44 VAL C C 44 177.960 177.960 177.898 0.062 18713 4894 1 8 . 1 1 44 44 VAL CA C 44 67.150 67.150 66.262 0.888 18713 4895 1 8 . 1 1 44 44 VAL CB C 44 31.250 31.250 30.343 0.907 18713 4896 1 8 . 1 1 44 44 VAL H H 44 8.415 8.415 7.738 0.677 18713 4897 1 8 . 1 1 45 45 GLY N N 45 106.020 106.020 107.862 -1.842 18713 4898 1 8 . 1 1 45 45 GLY C C 45 176.070 176.070 175.666 0.404 18713 4899 1 8 . 1 1 45 45 GLY CA C 45 47.410 47.410 47.017 0.393 18713 4900 1 8 . 1 1 45 45 GLY H H 45 7.747 7.747 7.777 -0.030 18713 4901 1 8 . 1 1 46 46 LEU N N 46 122.340 122.340 123.886 -1.546 18713 4902 1 8 . 1 1 46 46 LEU HA H 46 4.002 4.002 4.081 -0.079 18713 4903 1 8 . 1 1 46 46 LEU C C 46 179.520 179.520 178.421 1.099 18713 4904 1 8 . 1 1 46 46 LEU CA C 46 57.410 57.410 57.676 -0.266 18713 4905 1 8 . 1 1 46 46 LEU CB C 46 42.350 42.350 41.974 0.376 18713 4906 1 8 . 1 1 46 46 LEU H H 46 7.802 7.802 7.877 -0.075 18713 4907 1 8 . 1 1 47 47 LEU N N 47 118.450 118.450 119.766 -1.316 18713 4908 1 8 . 1 1 47 47 LEU HA H 47 4.169 4.169 4.139 0.030 18713 4909 1 8 . 1 1 47 47 LEU C C 47 178.210 178.210 178.133 0.077 18713 4910 1 8 . 1 1 47 47 LEU CA C 47 56.950 56.950 57.774 -0.824 18713 4911 1 8 . 1 1 47 47 LEU CB C 47 41.850 41.850 41.613 0.237 18713 4912 1 8 . 1 1 47 47 LEU H H 47 8.082 8.082 8.540 -0.458 18713 4913 1 8 . 1 1 48 48 GLU N N 48 116.980 116.980 116.124 0.856 18713 4914 1 8 . 1 1 48 48 GLU HA H 48 4.142 4.142 4.017 0.125 18713 4915 1 8 . 1 1 48 48 GLU C C 48 177.120 177.120 179.396 -2.276 18713 4916 1 8 . 1 1 48 48 GLU CA C 48 57.450 57.450 58.735 -1.285 18713 4917 1 8 . 1 1 48 48 GLU CB C 48 30.010 30.010 29.580 0.430 18713 4918 1 8 . 1 1 48 48 GLU H H 48 7.870 7.870 8.305 -0.435 18713 4919 1 8 . 1 1 49 49 HIS N N 49 114.660 114.660 117.751 -3.091 18713 4920 1 8 . 1 1 49 49 HIS HA H 49 4.878 4.878 4.473 0.405 18713 4921 1 8 . 1 1 49 49 HIS C C 49 174.070 174.070 177.462 -3.392 18713 4922 1 8 . 1 1 49 49 HIS CA C 49 55.760 55.760 58.489 -2.729 18713 4923 1 8 . 1 1 49 49 HIS CB C 49 29.880 29.880 29.757 0.123 18713 4924 1 8 . 1 1 49 49 HIS H H 49 7.833 7.833 8.156 -0.323 18713 4925 1 8 . 1 1 50 50 THR N N 50 113.050 113.050 112.223 0.827 18713 4926 1 8 . 1 1 50 50 THR HA H 50 4.571 4.571 4.214 0.357 18713 4927 1 8 . 1 1 50 50 THR C C 50 173.390 173.390 175.217 -1.827 18713 4928 1 8 . 1 1 50 50 THR CA C 50 61.880 61.880 62.913 -1.034 18713 4929 1 8 . 1 1 50 50 THR CB C 50 70.350 70.350 67.297 3.053 18713 4930 1 8 . 1 1 50 50 THR H H 50 7.871 7.871 8.310 -0.439 18713 4931 1 8 . 1 1 51 51 ASN N N 51 119.760 119.760 119.372 0.388 18713 4932 1 8 . 1 1 51 51 ASN HA H 51 4.868 4.868 4.701 0.167 18713 4933 1 8 . 1 1 51 51 ASN C C 51 175.440 175.440 176.787 -1.347 18713 4934 1 8 . 1 1 51 51 ASN CA C 51 52.870 52.870 54.098 -1.228 18713 4935 1 8 . 1 1 51 51 ASN CB C 51 38.470 38.470 37.827 0.643 18713 4936 1 8 . 1 1 51 51 ASN H H 51 8.477 8.477 7.725 0.752 18713 4937 1 8 . 1 1 52 52 LEU N N 52 121.360 121.360 120.458 0.902 18713 4938 1 8 . 1 1 52 52 LEU HA H 52 4.144 4.144 4.091 0.053 18713 4939 1 8 . 1 1 52 52 LEU C C 52 177.440 177.440 178.264 -0.824 18713 4940 1 8 . 1 1 52 52 LEU CA C 52 56.880 56.880 57.052 -0.172 18713 4941 1 8 . 1 1 52 52 LEU CB C 52 42.240 42.240 41.250 0.990 18713 4942 1 8 . 1 1 52 52 LEU H H 52 8.089 8.089 7.590 0.499 18713 4943 1 8 . 1 1 53 53 LEU N N 53 119.350 119.350 120.313 -0.963 18713 4944 1 8 . 1 1 53 53 LEU HA H 53 4.255 4.255 4.011 0.244 18713 4945 1 8 . 1 1 53 53 LEU C C 53 177.360 177.360 178.134 -0.774 18713 4946 1 8 . 1 1 53 53 LEU CA C 53 56.010 56.010 57.199 -1.189 18713 4947 1 8 . 1 1 53 53 LEU CB C 53 41.770 41.770 41.159 0.611 18713 4948 1 8 . 1 1 53 53 LEU H H 53 8.165 8.165 7.461 0.704 18713 4949 1 8 . 1 1 54 54 ALA N N 54 122.310 122.310 120.825 1.485 18713 4950 1 8 . 1 1 54 54 ALA HA H 54 4.222 4.222 4.190 0.032 18713 4951 1 8 . 1 1 54 54 ALA C C 54 177.620 177.620 178.627 -1.007 18713 4952 1 8 . 1 1 54 54 ALA CA C 54 53.250 53.250 53.840 -0.590 18713 4953 1 8 . 1 1 54 54 ALA CB C 54 18.820 18.820 18.497 0.324 18713 4954 1 8 . 1 1 54 54 ALA H H 54 7.969 7.969 8.169 -0.200 18713 4955 1 8 . 1 1 55 55 LEU N N 55 117.930 117.930 119.195 -1.265 18713 4956 1 8 . 1 1 55 55 LEU HA H 55 4.233 4.233 4.277 -0.044 18713 4957 1 8 . 1 1 55 55 LEU C C 55 176.740 176.740 176.604 0.136 18713 4958 1 8 . 1 1 55 55 LEU CA C 55 55.420 55.420 54.427 0.993 18713 4959 1 8 . 1 1 55 55 LEU CB C 55 42.350 42.350 41.507 0.843 18713 4960 1 8 . 1 1 55 55 LEU H H 55 7.696 7.696 7.594 0.102 18713 4961 1 8 . 1 1 56 56 HIS N N 56 117.120 117.120 116.349 0.771 18713 4962 1 8 . 1 1 56 56 HIS HA H 56 4.665 4.665 4.224 0.441 18713 4963 1 8 . 1 1 56 56 HIS C C 56 174.150 174.150 173.805 0.345 18713 4964 1 8 . 1 1 56 56 HIS CA C 56 55.420 55.420 57.140 -1.720 18713 4965 1 8 . 1 1 56 56 HIS CB C 56 29.250 29.250 27.500 1.750 18713 4966 1 8 . 1 1 56 56 HIS H H 56 8.196 8.196 7.790 0.406 18713 4967 1 8 . 1 1 57 57 LEU N N 57 120.690 120.690 120.599 0.091 18713 4968 1 8 . 1 1 57 57 LEU HA H 57 4.414 4.414 4.472 -0.058 18713 4969 1 8 . 1 1 57 57 LEU C C 57 175.760 175.760 175.917 -0.157 18713 4970 1 8 . 1 1 57 57 LEU CA C 57 55.410 55.410 54.079 1.331 18713 4971 1 8 . 1 1 57 57 LEU CB C 57 42.470 42.470 43.710 -1.240 18713 4972 1 8 . 1 1 57 57 LEU H H 57 7.989 7.989 7.648 0.341 18713 4973 1 8 . 1 1 58 58 VAL N N 58 119.740 119.740 122.015 -2.275 18713 4974 1 8 . 1 1 58 58 VAL HA H 58 4.485 4.485 4.382 0.103 18713 4975 1 8 . 1 1 58 58 VAL C C 58 173.880 173.880 174.193 -0.313 18713 4976 1 8 . 1 1 58 58 VAL CA C 58 59.520 59.520 58.497 1.023 18713 4977 1 8 . 1 1 58 58 VAL CB C 58 32.710 32.710 32.785 -0.075 18713 4978 1 8 . 1 1 58 58 VAL H H 58 7.848 7.848 8.172 -0.324 18713 4979 1 8 . 1 1 59 59 PRO HA H 59 4.449 4.449 4.655 -0.206 18713 4980 1 8 . 1 1 59 59 PRO C C 59 174.250 174.250 176.816 -2.566 18713 4981 1 8 . 1 1 59 59 PRO CA C 59 63.200 63.200 62.599 0.601 18713 4982 1 8 . 1 1 59 59 PRO CB C 59 32.120 32.120 32.398 -0.278 18713 4983 1 8 . 1 1 60 60 ARG N N 60 121.450 121.450 124.378 -2.928 18713 4984 1 8 . 1 1 60 60 ARG HA H 60 4.335 4.335 4.143 0.192 18713 4985 1 8 . 1 1 60 60 ARG C C 60 176.620 176.620 177.503 -0.883 18713 4986 1 8 . 1 1 60 60 ARG CA C 60 56.460 56.460 56.877 -0.417 18713 4987 1 8 . 1 1 60 60 ARG CB C 60 30.720 30.720 30.201 0.519 18713 4988 1 8 . 1 1 60 60 ARG H H 60 8.397 8.397 8.607 -0.210 18713 4989 1 8 . 1 1 61 61 GLY N N 61 110.770 110.770 107.166 3.604 18713 4990 1 8 . 1 1 61 61 GLY C C 61 174.090 174.090 174.900 -0.810 18713 4991 1 8 . 1 1 61 61 GLY CA C 61 45.650 45.650 45.515 0.135 18713 4992 1 8 . 1 1 61 61 GLY H H 61 8.541 8.541 8.120 0.421 18713 4993 1 8 . 1 1 62 62 SER N N 62 115.890 115.890 114.833 1.057 18713 4994 1 8 . 1 1 62 62 SER HA H 62 4.470 4.470 4.338 0.132 18713 4995 1 8 . 1 1 62 62 SER C C 62 174.270 174.270 175.370 -1.100 18713 4996 1 8 . 1 1 62 62 SER CA C 62 58.750 58.750 59.742 -0.992 18713 4997 1 8 . 1 1 62 62 SER CB C 62 64.100 64.100 63.368 0.732 18713 4998 1 8 . 1 1 62 62 SER H H 62 8.145 8.145 8.401 -0.256 18713 4999 1 8 . 1 1 63 63 LYS N N 63 122.680 122.680 119.236 3.444 18713 5000 1 8 . 1 1 63 63 LYS HA H 63 4.372 4.372 4.365 0.007 18713 5001 1 8 . 1 1 63 63 LYS C C 63 175.950 175.950 176.608 -0.658 18713 5002 1 8 . 1 1 63 63 LYS CA C 63 56.120 56.120 56.370 -0.250 18713 5003 1 8 . 1 1 63 63 LYS CB C 63 32.830 32.830 32.817 0.013 18713 5004 1 8 . 1 1 63 63 LYS H H 63 8.336 8.336 7.733 0.603 18713 5005 1 8 . 1 1 64 64 ARG N N 64 120.930 120.930 119.327 1.603 18713 5006 1 8 . 1 1 64 64 ARG HA H 64 4.395 4.395 4.111 0.284 18713 5007 1 8 . 1 1 64 64 ARG C C 64 175.550 175.550 175.035 0.515 18713 5008 1 8 . 1 1 64 64 ARG CA C 64 56.350 56.350 56.957 -0.607 18713 5009 1 8 . 1 1 64 64 ARG CB C 64 30.950 30.950 28.798 2.152 18713 5010 1 8 . 1 1 64 64 ARG H H 64 8.187 8.187 8.329 -0.142 18713 5011 1 8 . 1 1 65 65 ILE N N 65 121.120 121.120 115.360 5.760 18713 5012 1 8 . 1 1 65 65 ILE HA H 65 4.255 4.255 4.597 -0.342 18713 5013 1 8 . 1 1 65 65 ILE C C 65 175.880 175.880 176.236 -0.356 18713 5014 1 8 . 1 1 65 65 ILE CA C 65 61.170 61.170 60.653 0.517 18713 5015 1 8 . 1 1 65 65 ILE CB C 65 38.820 38.820 38.998 -0.178 18713 5016 1 8 . 1 1 65 65 ILE H H 65 8.165 8.165 7.970 0.195 18713 5017 1 8 . 1 1 66 66 SER N N 66 120.720 120.720 116.900 3.820 18713 5018 1 8 . 1 1 66 66 SER HA H 66 4.511 4.511 4.389 0.122 18713 5019 1 8 . 1 1 66 66 SER C C 66 174.490 174.490 175.590 -1.100 18713 5020 1 8 . 1 1 66 66 SER CA C 66 58.580 58.580 60.463 -1.883 18713 5021 1 8 . 1 1 66 66 SER CB C 66 64.110 64.110 63.387 0.723 18713 5022 1 8 . 1 1 66 66 SER H H 66 8.346 8.346 8.671 -0.325 18713 5023 1 8 . 1 1 67 67 GLY N N 67 110.050 110.050 108.007 2.043 18713 5024 1 8 . 1 1 67 67 GLY C C 67 175.840 175.840 172.801 3.039 18713 5025 1 8 . 1 1 67 67 GLY CA C 67 45.480 45.480 44.229 1.251 18713 5026 1 8 . 1 1 67 67 GLY H H 67 8.275 8.275 7.733 0.542 18713 5027 1 8 . 1 1 68 68 LEU N N 68 120.990 120.990 122.154 -1.164 18713 5028 1 8 . 1 1 68 68 LEU HA H 68 4.492 4.492 4.683 -0.191 18713 5029 1 8 . 1 1 68 68 LEU C C 68 177.450 177.450 177.565 -0.115 18713 5030 1 8 . 1 1 68 68 LEU CA C 68 55.410 55.410 54.052 1.358 18713 5031 1 8 . 1 1 68 68 LEU CB C 68 42.710 42.710 42.385 0.325 18713 5032 1 8 . 1 1 68 68 LEU H H 68 8.057 8.057 8.517 -0.460 18713 5033 1 8 . 1 1 70 70 TYR HA H 70 4.039 4.039 4.177 -0.138 18713 5034 1 8 . 1 1 70 70 TYR CA C 70 61.650 61.650 62.523 -0.873 18713 5035 1 8 . 1 1 70 70 TYR CB C 70 38.250 38.250 37.180 1.070 18713 5036 1 8 . 1 1 71 71 GLU N N 71 117.580 117.580 119.443 -1.863 18713 5037 1 8 . 1 1 71 71 GLU HA H 71 4.173 4.173 4.087 0.086 18713 5038 1 8 . 1 1 71 71 GLU CA C 71 60.120 60.120 59.751 0.369 18713 5039 1 8 . 1 1 71 71 GLU CB C 71 29.080 29.080 28.833 0.247 18713 5040 1 8 . 1 1 71 71 GLU H H 71 8.999 8.999 8.866 0.133 18713 5041 1 8 . 1 1 72 72 GLU N N 72 119.620 119.620 119.762 -0.142 18713 5042 1 8 . 1 1 72 72 GLU HA H 72 4.165 4.165 4.045 0.120 18713 5043 1 8 . 1 1 72 72 GLU C C 72 178.090 178.090 179.427 -1.337 18713 5044 1 8 . 1 1 72 72 GLU CA C 72 58.350 58.350 59.382 -1.032 18713 5045 1 8 . 1 1 72 72 GLU CB C 72 29.880 29.880 29.708 0.172 18713 5046 1 8 . 1 1 72 72 GLU H H 72 7.760 7.760 7.843 -0.083 18713 5047 1 8 . 1 1 73 73 VAL N N 73 117.510 117.510 119.702 -2.192 18713 5048 1 8 . 1 1 73 73 VAL HA H 73 3.757 3.757 3.647 0.110 18713 5049 1 8 . 1 1 73 73 VAL C C 73 176.620 176.620 178.000 -1.380 18713 5050 1 8 . 1 1 73 73 VAL CA C 73 65.450 65.450 66.595 -1.145 18713 5051 1 8 . 1 1 73 73 VAL CB C 73 31.540 31.540 31.375 0.165 18713 5052 1 8 . 1 1 73 73 VAL H H 73 7.869 7.869 8.225 -0.356 18713 5053 1 8 . 1 1 74 74 ARG N N 74 120.440 120.440 120.043 0.397 18713 5054 1 8 . 1 1 74 74 ARG HA H 74 3.649 3.649 4.025 -0.376 18713 5055 1 8 . 1 1 74 74 ARG C C 74 176.860 176.860 178.694 -1.834 18713 5056 1 8 . 1 1 74 74 ARG CA C 74 59.950 59.950 59.998 -0.048 18713 5057 1 8 . 1 1 74 74 ARG CB C 74 30.070 30.070 30.041 0.029 18713 5058 1 8 . 1 1 74 74 ARG H H 74 8.335 8.335 8.519 -0.184 18713 5059 1 8 . 1 1 75 75 ALA N N 75 119.490 119.490 121.583 -2.093 18713 5060 1 8 . 1 1 75 75 ALA HA H 75 4.157 4.157 4.167 -0.010 18713 5061 1 8 . 1 1 75 75 ALA C C 75 180.380 180.380 179.354 1.026 18713 5062 1 8 . 1 1 75 75 ALA CA C 75 55.540 55.540 54.971 0.569 18713 5063 1 8 . 1 1 75 75 ALA CB C 75 18.320 18.320 18.561 -0.241 18713 5064 1 8 . 1 1 75 75 ALA H H 75 7.725 7.725 8.351 -0.626 18713 5065 1 8 . 1 1 76 76 VAL N N 76 116.910 116.910 119.295 -2.385 18713 5066 1 8 . 1 1 76 76 VAL HA H 76 4.125 4.125 3.780 0.345 18713 5067 1 8 . 1 1 76 76 VAL C C 76 178.340 178.340 177.437 0.903 18713 5068 1 8 . 1 1 76 76 VAL CA C 76 64.950 64.950 65.485 -0.535 18713 5069 1 8 . 1 1 76 76 VAL CB C 76 31.820 31.820 32.007 -0.187 18713 5070 1 8 . 1 1 76 76 VAL H H 76 7.814 7.814 7.977 -0.163 18713 5071 1 8 . 1 1 77 77 LEU N N 77 121.020 121.020 120.902 0.118 18713 5072 1 8 . 1 1 77 77 LEU HA H 77 4.425 4.425 3.948 0.477 18713 5073 1 8 . 1 1 77 77 LEU C C 77 177.930 177.930 178.364 -0.434 18713 5074 1 8 . 1 1 77 77 LEU CA C 77 57.250 57.250 58.268 -1.018 18713 5075 1 8 . 1 1 77 77 LEU CB C 77 43.010 43.010 41.505 1.505 18713 5076 1 8 . 1 1 77 77 LEU H H 77 8.389 8.389 8.358 0.031 18713 5077 1 8 . 1 1 78 78 LYS N N 78 120.530 120.530 120.106 0.424 18713 5078 1 8 . 1 1 78 78 LYS HA H 78 3.907 3.907 4.090 -0.183 18713 5079 1 8 . 1 1 78 78 LYS C C 78 177.320 177.320 178.709 -1.389 18713 5080 1 8 . 1 1 78 78 LYS CA C 78 61.350 61.350 60.119 1.231 18713 5081 1 8 . 1 1 78 78 LYS CB C 78 32.450 32.450 32.100 0.350 18713 5082 1 8 . 1 1 78 78 LYS H H 78 8.757 8.757 8.335 0.422 18713 5083 1 8 . 1 1 79 79 SER N N 79 113.040 113.040 115.368 -2.328 18713 5084 1 8 . 1 1 79 79 SER HA H 79 4.270 4.270 4.127 0.143 18713 5085 1 8 . 1 1 79 79 SER C C 79 177.320 177.320 176.600 0.720 18713 5086 1 8 . 1 1 79 79 SER CA C 79 62.250 62.250 61.664 0.585 18713 5087 1 8 . 1 1 79 79 SER CB C 79 63.050 63.050 62.968 0.082 18713 5088 1 8 . 1 1 79 79 SER H H 79 8.055 8.055 7.668 0.387 18713 5089 1 8 . 1 1 80 80 PHE N N 80 123.520 123.520 123.711 -0.191 18713 5090 1 8 . 1 1 80 80 PHE HA H 80 4.255 4.255 4.286 -0.031 18713 5091 1 8 . 1 1 80 80 PHE C C 80 176.480 176.480 177.220 -0.740 18713 5092 1 8 . 1 1 80 80 PHE CA C 80 60.650 60.650 61.197 -0.547 18713 5093 1 8 . 1 1 80 80 PHE CB C 80 39.450 39.450 38.936 0.514 18713 5094 1 8 . 1 1 80 80 PHE H H 80 7.734 7.734 8.165 -0.431 18713 5095 1 8 . 1 1 81 81 LEU N N 81 119.370 119.370 119.484 -0.114 18713 5096 1 8 . 1 1 81 81 LEU HA H 81 3.558 3.558 3.427 0.131 18713 5097 1 8 . 1 1 81 81 LEU C C 81 178.280 178.280 179.176 -0.896 18713 5098 1 8 . 1 1 81 81 LEU CA C 81 57.650 57.650 58.209 -0.559 18713 5099 1 8 . 1 1 81 81 LEU CB C 81 42.750 42.750 41.600 1.150 18713 5100 1 8 . 1 1 81 81 LEU H H 81 8.693 8.693 8.991 -0.298 18713 5101 1 8 . 1 1 82 82 GLU N N 82 118.350 118.350 118.653 -0.303 18713 5102 1 8 . 1 1 82 82 GLU HA H 82 3.785 3.785 3.827 -0.042 18713 5103 1 8 . 1 1 82 82 GLU C C 82 177.870 177.870 179.173 -1.303 18713 5104 1 8 . 1 1 82 82 GLU CA C 82 60.550 60.550 59.434 1.116 18713 5105 1 8 . 1 1 82 82 GLU CB C 82 29.280 29.280 28.878 0.402 18713 5106 1 8 . 1 1 82 82 GLU H H 82 8.869 8.869 8.721 0.148 18713 5107 1 8 . 1 1 83 83 SER N N 83 113.610 113.610 115.192 -1.582 18713 5108 1 8 . 1 1 83 83 SER HA H 83 4.165 4.165 4.202 -0.037 18713 5109 1 8 . 1 1 83 83 SER C C 83 177.830 177.830 176.683 1.147 18713 5110 1 8 . 1 1 83 83 SER CA C 83 61.150 61.150 61.152 -0.002 18713 5111 1 8 . 1 1 83 83 SER CB C 83 62.750 62.750 62.552 0.198 18713 5112 1 8 . 1 1 83 83 SER H H 83 7.474 7.474 8.290 -0.816 18713 5113 1 8 . 1 1 84 84 VAL N N 84 121.040 121.040 121.825 -0.785 18713 5114 1 8 . 1 1 84 84 VAL HA H 84 3.660 3.660 3.611 0.049 18713 5115 1 8 . 1 1 84 84 VAL C C 84 179.270 179.270 178.095 1.175 18713 5116 1 8 . 1 1 84 84 VAL CA C 84 65.750 65.750 66.492 -0.742 18713 5117 1 8 . 1 1 84 84 VAL CB C 84 32.030 32.030 30.902 1.128 18713 5118 1 8 . 1 1 84 84 VAL H H 84 7.668 7.668 8.099 -0.431 18713 5119 1 8 . 1 1 85 85 ILE N N 85 123.350 123.350 119.778 3.572 18713 5120 1 8 . 1 1 85 85 ILE HA H 85 3.537 3.537 3.749 -0.212 18713 5121 1 8 . 1 1 85 85 ILE C C 85 176.550 176.550 178.797 -2.247 18713 5122 1 8 . 1 1 85 85 ILE CA C 85 66.710 66.710 64.818 1.892 18713 5123 1 8 . 1 1 85 85 ILE CB C 85 36.210 36.210 36.964 -0.754 18713 5124 1 8 . 1 1 85 85 ILE H H 85 9.086 9.086 8.271 0.815 18713 5125 1 8 . 1 1 86 86 ARG N N 86 120.150 120.150 119.715 0.435 18713 5126 1 8 . 1 1 86 86 ARG HA H 86 3.802 3.802 4.016 -0.214 18713 5127 1 8 . 1 1 86 86 ARG C C 86 178.920 178.920 179.097 -0.177 18713 5128 1 8 . 1 1 86 86 ARG CA C 86 59.980 59.980 59.459 0.521 18713 5129 1 8 . 1 1 86 86 ARG CB C 86 29.650 29.650 29.607 0.043 18713 5130 1 8 . 1 1 86 86 ARG H H 86 8.125 8.125 7.938 0.187 18713 5131 1 8 . 1 1 87 87 ASP N N 87 118.810 118.810 119.327 -0.517 18713 5132 1 8 . 1 1 87 87 ASP HA H 87 4.537 4.537 4.612 -0.075 18713 5133 1 8 . 1 1 87 87 ASP C C 87 178.050 178.050 178.493 -0.443 18713 5134 1 8 . 1 1 87 87 ASP CA C 87 57.140 57.140 56.657 0.483 18713 5135 1 8 . 1 1 87 87 ASP CB C 87 40.520 40.520 40.555 -0.035 18713 5136 1 8 . 1 1 87 87 ASP H H 87 7.668 7.668 8.354 -0.686 18713 5137 1 8 . 1 1 88 88 SER N N 88 119.350 119.350 116.412 2.938 18713 5138 1 8 . 1 1 88 88 SER HA H 88 4.166 4.166 4.883 -0.717 18713 5139 1 8 . 1 1 88 88 SER C C 88 175.350 175.350 176.619 -1.269 18713 5140 1 8 . 1 1 88 88 SER CA C 88 57.170 57.170 61.426 -4.256 18713 5141 1 8 . 1 1 88 88 SER CB C 88 64.050 64.050 63.586 0.464 18713 5142 1 8 . 1 1 88 88 SER H H 88 8.506 8.506 8.101 0.405 18713 5143 1 8 . 1 1 89 89 VAL N N 89 121.240 121.240 123.675 -2.435 18713 5144 1 8 . 1 1 89 89 VAL HA H 89 3.611 3.611 3.854 -0.243 18713 5145 1 8 . 1 1 89 89 VAL C C 89 177.440 177.440 178.373 -0.933 18713 5146 1 8 . 1 1 89 89 VAL CA C 89 65.990 65.990 66.468 -0.478 18713 5147 1 8 . 1 1 89 89 VAL CB C 89 31.240 31.240 31.707 -0.467 18713 5148 1 8 . 1 1 89 89 VAL H H 89 8.505 8.505 8.678 -0.173 18713 5149 1 8 . 1 1 90 90 THR N N 90 117.040 117.040 117.476 -0.436 18713 5150 1 8 . 1 1 90 90 THR HA H 90 4.013 4.013 3.919 0.094 18713 5151 1 8 . 1 1 90 90 THR C C 90 177.410 177.410 176.736 0.674 18713 5152 1 8 . 1 1 90 90 THR CA C 90 66.550 66.550 67.356 -0.805 18713 5153 1 8 . 1 1 90 90 THR CB C 90 68.220 68.220 68.620 -0.400 18713 5154 1 8 . 1 1 90 90 THR H H 90 8.016 8.016 7.685 0.331 18713 5155 1 8 . 1 1 91 91 TYR N N 91 122.770 122.770 120.327 2.443 18713 5156 1 8 . 1 1 91 91 TYR HA H 91 4.162 4.162 4.380 -0.218 18713 5157 1 8 . 1 1 91 91 TYR C C 91 178.180 178.180 178.439 -0.259 18713 5158 1 8 . 1 1 91 91 TYR CA C 91 62.470 62.470 61.439 1.031 18713 5159 1 8 . 1 1 91 91 TYR CB C 91 38.030 38.030 37.942 0.088 18713 5160 1 8 . 1 1 91 91 TYR H H 91 7.822 7.822 7.943 -0.121 18713 5161 1 8 . 1 1 92 92 THR N N 92 119.350 119.350 113.647 5.703 18713 5162 1 8 . 1 1 92 92 THR HA H 92 3.678 3.678 4.040 -0.362 18713 5163 1 8 . 1 1 92 92 THR C C 92 175.880 175.880 177.275 -1.395 18713 5164 1 8 . 1 1 92 92 THR CA C 92 67.390 67.390 66.175 1.215 18713 5165 1 8 . 1 1 92 92 THR CB C 92 69.190 69.190 68.386 0.804 18713 5166 1 8 . 1 1 92 92 THR H H 92 8.160 8.160 8.644 -0.484 18713 5167 1 8 . 1 1 93 93 GLU N N 93 118.840 118.840 122.226 -3.386 18713 5168 1 8 . 1 1 93 93 GLU HA H 93 4.238 4.238 4.051 0.187 18713 5169 1 8 . 1 1 93 93 GLU C C 93 181.340 181.340 179.230 2.110 18713 5170 1 8 . 1 1 93 93 GLU CA C 93 58.290 58.290 59.388 -1.098 18713 5171 1 8 . 1 1 93 93 GLU CB C 93 28.890 28.890 28.877 0.013 18713 5172 1 8 . 1 1 93 93 GLU H H 93 8.514 8.514 8.932 -0.418 18713 5173 1 8 . 1 1 94 94 HIS N N 94 120.870 120.870 119.808 1.062 18713 5174 1 8 . 1 1 94 94 HIS HA H 94 4.465 4.465 4.325 0.140 18713 5175 1 8 . 1 1 94 94 HIS C C 94 175.390 175.390 175.631 -0.241 18713 5176 1 8 . 1 1 94 94 HIS CA C 94 58.250 58.250 58.999 -0.749 18713 5177 1 8 . 1 1 94 94 HIS CB C 94 28.110 28.110 29.987 -1.877 18713 5178 1 8 . 1 1 94 94 HIS H H 94 8.531 8.531 8.395 0.136 18713 5179 1 8 . 1 1 95 95 ALA N N 95 121.010 121.010 120.290 0.720 18713 5180 1 8 . 1 1 95 95 ALA HA H 95 4.335 4.335 4.459 -0.124 18713 5181 1 8 . 1 1 95 95 ALA C C 95 175.380 175.380 175.602 -0.222 18713 5182 1 8 . 1 1 95 95 ALA CA C 95 51.750 51.750 51.442 0.308 18713 5183 1 8 . 1 1 95 95 ALA CB C 95 18.710 18.710 19.555 -0.845 18713 5184 1 8 . 1 1 95 95 ALA H H 95 7.525 7.525 7.804 -0.279 18713 5185 1 8 . 1 1 96 96 LYS N N 96 115.990 115.990 115.431 0.559 18713 5186 1 8 . 1 1 96 96 LYS HA H 96 3.955 3.955 3.844 0.111 18713 5187 1 8 . 1 1 96 96 LYS C C 96 175.020 175.020 176.111 -1.091 18713 5188 1 8 . 1 1 96 96 LYS CA C 96 56.590 56.590 57.334 -0.744 18713 5189 1 8 . 1 1 96 96 LYS CB C 96 28.650 28.650 29.345 -0.695 18713 5190 1 8 . 1 1 96 96 LYS H H 96 8.232 8.232 8.015 0.217 18713 5191 1 8 . 1 1 97 97 ARG N N 97 116.850 116.850 119.559 -2.709 18713 5192 1 8 . 1 1 97 97 ARG HA H 97 4.651 4.651 4.396 0.255 18713 5193 1 8 . 1 1 97 97 ARG C C 97 175.250 175.250 175.679 -0.429 18713 5194 1 8 . 1 1 97 97 ARG CA C 97 55.010 55.010 55.013 -0.003 18713 5195 1 8 . 1 1 97 97 ARG CB C 97 35.170 35.170 32.553 2.617 18713 5196 1 8 . 1 1 97 97 ARG H H 97 7.685 7.685 8.432 -0.747 18713 5197 1 8 . 1 1 98 98 LYS N N 98 115.990 115.990 121.278 -5.288 18713 5198 1 8 . 1 1 98 98 LYS HA H 98 4.409 4.409 4.584 -0.175 18713 5199 1 8 . 1 1 98 98 LYS C C 98 174.320 174.320 174.572 -0.252 18713 5200 1 8 . 1 1 98 98 LYS CA C 98 54.500 54.500 55.723 -1.223 18713 5201 1 8 . 1 1 98 98 LYS CB C 98 33.590 33.590 31.484 2.106 18713 5202 1 8 . 1 1 98 98 LYS H H 98 8.232 8.232 8.400 -0.168 18713 5203 1 8 . 1 1 99 99 THR N N 99 114.310 114.310 115.082 -0.772 18713 5204 1 8 . 1 1 99 99 THR HA H 99 4.769 4.769 4.779 -0.010 18713 5205 1 8 . 1 1 99 99 THR C C 99 172.170 172.170 172.897 -0.727 18713 5206 1 8 . 1 1 99 99 THR CA C 99 60.510 60.510 61.845 -1.335 18713 5207 1 8 . 1 1 99 99 THR CB C 99 70.180 70.180 72.541 -2.361 18713 5208 1 8 . 1 1 99 99 THR H H 99 6.768 6.768 7.864 -1.096 18713 5209 1 8 . 1 1 100 100 VAL N N 100 128.820 128.820 124.404 4.416 18713 5210 1 8 . 1 1 100 100 VAL HA H 100 3.987 3.987 4.212 -0.225 18713 5211 1 8 . 1 1 100 100 VAL C C 100 175.690 175.690 174.397 1.293 18713 5212 1 8 . 1 1 100 100 VAL CA C 100 61.950 61.950 61.015 0.935 18713 5213 1 8 . 1 1 100 100 VAL CB C 100 32.290 32.290 32.933 -0.643 18713 5214 1 8 . 1 1 100 100 VAL H H 100 8.690 8.690 9.235 -0.545 18713 5215 1 8 . 1 1 101 101 THR N N 101 118.310 118.310 115.813 2.497 18713 5216 1 8 . 1 1 101 101 THR HA H 101 4.798 4.798 4.703 0.095 18713 5217 1 8 . 1 1 101 101 THR C C 101 176.460 176.460 175.226 1.234 18713 5218 1 8 . 1 1 101 101 THR CA C 101 59.990 59.990 59.330 0.660 18713 5219 1 8 . 1 1 101 101 THR CB C 101 72.550 72.550 71.361 1.189 18713 5220 1 8 . 1 1 101 101 THR H H 101 9.263 9.263 8.297 0.966 18713 5221 1 8 . 1 1 102 102 SER N N 102 115.810 115.810 118.046 -2.236 18713 5222 1 8 . 1 1 102 102 SER HA H 102 3.913 3.913 4.165 -0.252 18713 5223 1 8 . 1 1 102 102 SER C C 102 175.210 175.210 175.731 -0.521 18713 5224 1 8 . 1 1 102 102 SER CA C 102 61.850 61.850 61.072 0.778 18713 5225 1 8 . 1 1 102 102 SER CB C 102 61.850 61.850 62.834 -0.984 18713 5226 1 8 . 1 1 102 102 SER H H 102 9.148 9.148 8.951 0.197 18713 5227 1 8 . 1 1 103 103 LEU N N 103 121.540 121.540 123.496 -1.956 18713 5228 1 8 . 1 1 103 103 LEU HA H 103 3.965 3.965 4.059 -0.094 18713 5229 1 8 . 1 1 103 103 LEU C C 103 177.780 177.780 177.770 0.010 18713 5230 1 8 . 1 1 103 103 LEU CA C 103 57.630 57.630 57.292 0.338 18713 5231 1 8 . 1 1 103 103 LEU CB C 103 41.430 41.430 41.565 -0.134 18713 5232 1 8 . 1 1 103 103 LEU H H 103 7.389 7.389 7.582 -0.193 18713 5233 1 8 . 1 1 104 104 ASP N N 104 120.260 120.260 118.802 1.458 18713 5234 1 8 . 1 1 104 104 ASP HA H 104 4.240 4.240 4.034 0.206 18713 5235 1 8 . 1 1 104 104 ASP C C 104 177.230 177.230 178.510 -1.280 18713 5236 1 8 . 1 1 104 104 ASP CA C 104 58.140 58.140 56.953 1.187 18713 5237 1 8 . 1 1 104 104 ASP CB C 104 41.050 41.050 40.490 0.560 18713 5238 1 8 . 1 1 104 104 ASP H H 104 7.240 7.240 7.589 -0.349 18713 5239 1 8 . 1 1 105 105 VAL N N 105 118.230 118.230 119.823 -1.593 18713 5240 1 8 . 1 1 105 105 VAL HA H 105 4.025 4.025 3.659 0.366 18713 5241 1 8 . 1 1 105 105 VAL C C 105 177.550 177.550 177.760 -0.210 18713 5242 1 8 . 1 1 105 105 VAL CA C 105 65.270 65.270 66.589 -1.319 18713 5243 1 8 . 1 1 105 105 VAL CB C 105 31.570 31.570 31.391 0.179 18713 5244 1 8 . 1 1 105 105 VAL H H 105 7.150 7.150 7.562 -0.412 18713 5245 1 8 . 1 1 106 106 VAL N N 106 120.450 120.450 120.788 -0.338 18713 5246 1 8 . 1 1 106 106 VAL HA H 106 3.512 3.512 3.705 -0.193 18713 5247 1 8 . 1 1 106 106 VAL C C 106 178.520 178.520 178.712 -0.192 18713 5248 1 8 . 1 1 106 106 VAL CA C 106 67.440 67.440 67.075 0.365 18713 5249 1 8 . 1 1 106 106 VAL CB C 106 31.770 31.770 31.309 0.461 18713 5250 1 8 . 1 1 106 106 VAL H H 106 8.380 8.380 8.148 0.232 18713 5251 1 8 . 1 1 107 107 TYR N N 107 120.160 120.160 119.593 0.567 18713 5252 1 8 . 1 1 107 107 TYR HA H 107 4.113 4.113 4.084 0.029 18713 5253 1 8 . 1 1 107 107 TYR C C 107 177.950 177.950 177.916 0.034 18713 5254 1 8 . 1 1 107 107 TYR CA C 107 60.150 60.150 60.342 -0.192 18713 5255 1 8 . 1 1 107 107 TYR CB C 107 36.210 36.210 36.605 -0.395 18713 5256 1 8 . 1 1 107 107 TYR H H 107 8.246 8.246 8.410 -0.164 18713 5257 1 8 . 1 1 108 108 ALA N N 108 123.660 123.660 122.401 1.259 18713 5258 1 8 . 1 1 108 108 ALA HA H 108 4.018 4.018 4.171 -0.153 18713 5259 1 8 . 1 1 108 108 ALA C C 108 180.350 180.350 179.963 0.387 18713 5260 1 8 . 1 1 108 108 ALA CA C 108 55.670 55.670 55.121 0.548 18713 5261 1 8 . 1 1 108 108 ALA CB C 108 20.650 20.650 18.436 2.214 18713 5262 1 8 . 1 1 108 108 ALA H H 108 7.912 7.912 8.371 -0.459 18713 5263 1 8 . 1 1 109 109 LEU N N 109 119.820 119.820 119.060 0.760 18713 5264 1 8 . 1 1 109 109 LEU HA H 109 3.887 3.887 4.072 -0.185 18713 5265 1 8 . 1 1 109 109 LEU C C 109 179.290 179.290 178.934 0.356 18713 5266 1 8 . 1 1 109 109 LEU CA C 109 57.870 57.870 57.706 0.164 18713 5267 1 8 . 1 1 109 109 LEU CB C 109 41.430 41.430 41.885 -0.455 18713 5268 1 8 . 1 1 109 109 LEU H H 109 8.727 8.727 8.508 0.219 18713 5269 1 8 . 1 1 110 110 LYS N N 110 120.420 120.420 119.829 0.591 18713 5270 1 8 . 1 1 110 110 LYS HA H 110 4.158 4.158 4.109 0.049 18713 5271 1 8 . 1 1 110 110 LYS C C 110 179.470 179.470 179.508 -0.038 18713 5272 1 8 . 1 1 110 110 LYS CA C 110 58.850 58.850 59.725 -0.875 18713 5273 1 8 . 1 1 110 110 LYS CB C 110 32.050 32.050 32.399 -0.349 18713 5274 1 8 . 1 1 110 110 LYS H H 110 8.180 8.180 8.452 -0.272 18713 5275 1 8 . 1 1 111 111 ARG N N 111 119.820 119.820 117.401 2.419 18713 5276 1 8 . 1 1 111 111 ARG HA H 111 4.142 4.142 4.212 -0.070 18713 5277 1 8 . 1 1 111 111 ARG C C 111 177.240 177.240 178.353 -1.113 18713 5278 1 8 . 1 1 111 111 ARG CA C 111 58.150 58.150 58.141 0.009 18713 5279 1 8 . 1 1 111 111 ARG CB C 111 29.810 29.810 29.605 0.205 18713 5280 1 8 . 1 1 111 111 ARG H H 111 7.765 7.765 7.975 -0.210 18713 5281 1 8 . 1 1 112 112 GLN N N 112 116.120 116.120 118.648 -2.528 18713 5282 1 8 . 1 1 112 112 GLN HA H 112 4.435 4.435 4.273 0.162 18713 5283 1 8 . 1 1 112 112 GLN C C 112 176.060 176.060 176.762 -0.702 18713 5284 1 8 . 1 1 112 112 GLN CA C 112 55.550 55.550 56.824 -1.274 18713 5285 1 8 . 1 1 112 112 GLN CB C 112 28.760 28.760 29.253 -0.492 18713 5286 1 8 . 1 1 112 112 GLN H H 112 7.856 7.856 7.742 0.114 18713 5287 1 8 . 1 1 113 113 GLY N N 113 108.070 108.070 106.380 1.690 18713 5288 1 8 . 1 1 113 113 GLY C C 113 174.240 174.240 174.736 -0.496 18713 5289 1 8 . 1 1 113 113 GLY CA C 113 45.953 45.953 44.769 1.184 18713 5290 1 8 . 1 1 113 113 GLY H H 113 8.048 8.048 7.676 0.372 18713 5291 1 8 . 1 1 114 114 ARG N N 114 119.710 119.710 120.021 -0.311 18713 5292 1 8 . 1 1 114 114 ARG HA H 114 4.565 4.565 4.345 0.220 18713 5293 1 8 . 1 1 114 114 ARG C C 114 175.490 175.490 176.269 -0.779 18713 5294 1 8 . 1 1 114 114 ARG CA C 114 57.950 57.950 56.882 1.069 18713 5295 1 8 . 1 1 114 114 ARG CB C 114 31.510 31.510 31.098 0.412 18713 5296 1 8 . 1 1 114 114 ARG H H 114 8.116 8.116 7.935 0.181 18713 5297 1 8 . 1 1 115 115 THR N N 115 114.890 114.890 113.209 1.681 18713 5298 1 8 . 1 1 115 115 THR HA H 115 4.262 4.262 4.196 0.066 18713 5299 1 8 . 1 1 115 115 THR C C 115 173.460 173.460 175.705 -2.245 18713 5300 1 8 . 1 1 115 115 THR CA C 115 61.820 61.820 62.828 -1.008 18713 5301 1 8 . 1 1 115 115 THR CB C 115 70.050 70.050 68.722 1.328 18713 5302 1 8 . 1 1 115 115 THR H H 115 8.143 8.143 8.175 -0.032 18713 5303 1 8 . 1 1 116 116 LEU N N 116 124.070 124.070 124.451 -0.381 18713 5304 1 8 . 1 1 116 116 LEU HA H 116 4.425 4.425 4.203 0.222 18713 5305 1 8 . 1 1 116 116 LEU C C 116 175.830 175.830 178.173 -2.343 18713 5306 1 8 . 1 1 116 116 LEU CA C 116 54.760 54.760 56.811 -2.051 18713 5307 1 8 . 1 1 116 116 LEU CB C 116 43.280 43.280 41.531 1.749 18713 5308 1 8 . 1 1 116 116 LEU H H 116 8.143 8.143 8.549 -0.406 18713 5309 1 8 . 1 1 117 117 TYR N N 117 121.630 121.630 119.261 2.369 18713 5310 1 8 . 1 1 117 117 TYR HA H 117 4.550 4.550 4.114 0.436 18713 5311 1 8 . 1 1 117 117 TYR C C 117 175.830 175.830 175.273 0.557 18713 5312 1 8 . 1 1 117 117 TYR CA C 117 58.140 58.140 58.866 -0.726 18713 5313 1 8 . 1 1 117 117 TYR CB C 117 38.850 38.850 36.645 2.205 18713 5314 1 8 . 1 1 117 117 TYR H H 117 8.213 8.213 8.286 -0.073 18713 5315 1 8 . 1 1 118 118 GLY N N 118 110.050 110.050 103.937 6.113 18713 5316 1 8 . 1 1 118 118 GLY C C 118 173.660 173.660 173.883 -0.223 18713 5317 1 8 . 1 1 118 118 GLY CA C 118 45.470 45.470 44.733 0.737 18713 5318 1 8 . 1 1 118 118 GLY H H 118 8.275 8.275 7.974 0.301 18713 5319 1 8 . 1 1 119 119 PHE N N 119 119.610 119.610 120.308 -0.698 18713 5320 1 8 . 1 1 119 119 PHE HA H 119 4.612 4.612 4.759 -0.147 18713 5321 1 8 . 1 1 119 119 PHE C C 119 175.280 175.280 176.267 -0.987 18713 5322 1 8 . 1 1 119 119 PHE CA C 119 58.060 58.060 56.574 1.486 18713 5323 1 8 . 1 1 119 119 PHE CB C 119 40.050 40.050 39.527 0.523 18713 5324 1 8 . 1 1 119 119 PHE H H 119 8.033 8.033 7.722 0.311 18713 5325 1 8 . 1 1 120 120 GLY N N 120 110.930 110.930 108.787 2.143 18713 5326 1 8 . 1 1 120 120 GLY C C 120 173.050 173.050 174.529 -1.479 18713 5327 1 8 . 1 1 120 120 GLY CA C 120 45.650 45.650 44.828 0.822 18713 5328 1 8 . 1 1 120 120 GLY H H 120 8.334 8.334 7.745 0.589 18713 5329 1 9 . 1 1 2 2 ILE HA H 2 4.175 4.175 3.958 0.217 18713 5330 1 9 . 1 1 2 2 ILE CA C 2 61.880 61.880 63.488 -1.608 18713 5331 1 9 . 1 1 2 2 ILE CB C 2 37.770 37.770 38.169 -0.398 18713 5332 1 9 . 1 1 3 3 SER N N 3 116.020 116.020 115.259 0.761 18713 5333 1 9 . 1 1 3 3 SER HA H 3 4.435 4.435 4.356 0.079 18713 5334 1 9 . 1 1 3 3 SER CA C 3 59.590 59.590 59.772 -0.181 18713 5335 1 9 . 1 1 3 3 SER CB C 3 63.640 63.640 63.269 0.371 18713 5336 1 9 . 1 1 3 3 SER H H 3 7.913 7.913 7.993 -0.080 18713 5337 1 9 . 1 1 4 4 LYS N N 4 120.030 120.030 121.366 -1.336 18713 5338 1 9 . 1 1 4 4 LYS HA H 4 4.380 4.380 4.286 0.094 18713 5339 1 9 . 1 1 4 4 LYS CA C 4 56.150 56.150 56.708 -0.558 18713 5340 1 9 . 1 1 4 4 LYS CB C 4 32.850 32.850 33.253 -0.403 18713 5341 1 9 . 1 1 4 4 LYS H H 4 7.979 7.979 7.500 0.479 18713 5342 1 9 . 1 1 7 7 PHE HA H 7 4.023 4.023 4.184 -0.161 18713 5343 1 9 . 1 1 7 7 PHE C C 7 176.700 176.700 176.492 0.208 18713 5344 1 9 . 1 1 7 7 PHE CA C 7 63.150 63.150 60.569 2.581 18713 5345 1 9 . 1 1 7 7 PHE CB C 7 39.880 39.880 38.624 1.256 18713 5346 1 9 . 1 1 8 8 ALA N N 8 121.230 121.230 121.999 -0.769 18713 5347 1 9 . 1 1 8 8 ALA HA H 8 3.920 3.920 3.716 0.204 18713 5348 1 9 . 1 1 8 8 ALA C C 8 178.010 178.010 179.582 -1.572 18713 5349 1 9 . 1 1 8 8 ALA CA C 8 55.630 55.630 55.017 0.614 18713 5350 1 9 . 1 1 8 8 ALA CB C 8 17.750 17.750 18.155 -0.405 18713 5351 1 9 . 1 1 8 8 ALA H H 8 8.715 8.715 7.831 0.884 18713 5352 1 9 . 1 1 9 9 ARG N N 9 118.910 118.910 117.969 0.941 18713 5353 1 9 . 1 1 9 9 ARG HA H 9 4.081 4.081 3.940 0.141 18713 5354 1 9 . 1 1 9 9 ARG C C 9 177.790 177.790 178.836 -1.046 18713 5355 1 9 . 1 1 9 9 ARG CA C 9 58.700 58.700 59.325 -0.625 18713 5356 1 9 . 1 1 9 9 ARG CB C 9 30.120 30.120 30.235 -0.115 18713 5357 1 9 . 1 1 9 9 ARG H H 9 7.618 7.618 7.494 0.124 18713 5358 1 9 . 1 1 10 10 LEU N N 10 120.830 120.830 121.003 -0.173 18713 5359 1 9 . 1 1 10 10 LEU HA H 10 4.233 4.233 3.982 0.251 18713 5360 1 9 . 1 1 10 10 LEU C C 10 177.780 177.780 178.889 -1.109 18713 5361 1 9 . 1 1 10 10 LEU CA C 10 57.680 57.680 57.959 -0.279 18713 5362 1 9 . 1 1 10 10 LEU CB C 10 41.680 41.680 41.783 -0.103 18713 5363 1 9 . 1 1 10 10 LEU H H 10 7.752 7.752 8.348 -0.596 18713 5364 1 9 . 1 1 11 11 VAL N N 11 117.150 117.150 119.296 -2.146 18713 5365 1 9 . 1 1 11 11 VAL HA H 11 3.425 3.425 3.513 -0.088 18713 5366 1 9 . 1 1 11 11 VAL C C 11 177.830 177.830 177.354 0.476 18713 5367 1 9 . 1 1 11 11 VAL CA C 11 66.930 66.930 65.749 1.181 18713 5368 1 9 . 1 1 11 11 VAL CB C 11 31.520 31.520 31.035 0.485 18713 5369 1 9 . 1 1 11 11 VAL H H 11 8.180 8.180 8.348 -0.168 18713 5370 1 9 . 1 1 12 12 LYS N N 12 121.880 121.880 119.564 2.316 18713 5371 1 9 . 1 1 12 12 LYS HA H 12 3.998 3.998 3.935 0.063 18713 5372 1 9 . 1 1 12 12 LYS C C 12 176.790 176.790 178.976 -2.186 18713 5373 1 9 . 1 1 12 12 LYS CA C 12 58.950 58.950 60.101 -1.151 18713 5374 1 9 . 1 1 12 12 LYS CB C 12 32.120 32.120 32.010 0.111 18713 5375 1 9 . 1 1 12 12 LYS H H 12 7.668 7.668 7.800 -0.132 18713 5376 1 9 . 1 1 13 13 GLU N N 13 118.250 118.250 119.423 -1.173 18713 5377 1 9 . 1 1 13 13 GLU HA H 13 4.085 4.085 3.931 0.154 18713 5378 1 9 . 1 1 13 13 GLU C C 13 179.280 179.280 178.956 0.324 18713 5379 1 9 . 1 1 13 13 GLU CA C 13 59.650 59.650 59.378 0.272 18713 5380 1 9 . 1 1 13 13 GLU CB C 13 29.770 29.770 29.534 0.236 18713 5381 1 9 . 1 1 13 13 GLU H H 13 8.149 8.149 8.070 0.079 18713 5382 1 9 . 1 1 14 14 VAL N N 14 117.450 117.450 119.681 -2.231 18713 5383 1 9 . 1 1 14 14 VAL HA H 14 4.007 4.007 3.427 0.580 18713 5384 1 9 . 1 1 14 14 VAL C C 14 178.350 178.350 177.505 0.845 18713 5385 1 9 . 1 1 14 14 VAL CA C 14 66.220 66.220 66.215 0.005 18713 5386 1 9 . 1 1 14 14 VAL CB C 14 31.250 31.250 31.387 -0.137 18713 5387 1 9 . 1 1 14 14 VAL H H 14 7.974 7.974 8.207 -0.233 18713 5388 1 9 . 1 1 15 15 THR N N 15 113.780 113.780 117.199 -3.419 18713 5389 1 9 . 1 1 15 15 THR HA H 15 3.771 3.771 3.560 0.211 18713 5390 1 9 . 1 1 15 15 THR C C 15 178.190 178.190 176.035 2.155 18713 5391 1 9 . 1 1 15 15 THR CA C 15 66.990 66.990 67.422 -0.432 18713 5392 1 9 . 1 1 15 15 THR CB C 15 68.590 68.590 68.524 0.066 18713 5393 1 9 . 1 1 15 15 THR H H 15 8.569 8.569 8.197 0.372 18713 5394 1 9 . 1 1 16 16 ASP N N 16 123.420 123.420 121.050 2.370 18713 5395 1 9 . 1 1 16 16 ASP HA H 16 4.545 4.545 4.329 0.216 18713 5396 1 9 . 1 1 16 16 ASP C C 16 178.450 178.450 177.791 0.659 18713 5397 1 9 . 1 1 16 16 ASP CA C 16 57.410 57.410 56.973 0.437 18713 5398 1 9 . 1 1 16 16 ASP CB C 16 39.880 39.880 39.929 -0.049 18713 5399 1 9 . 1 1 16 16 ASP H H 16 8.664 8.664 8.182 0.482 18713 5400 1 9 . 1 1 17 17 GLU N N 17 120.180 120.180 118.142 2.038 18713 5401 1 9 . 1 1 17 17 GLU HA H 17 4.089 4.089 4.041 0.048 18713 5402 1 9 . 1 1 17 17 GLU C C 17 178.220 178.220 179.420 -1.200 18713 5403 1 9 . 1 1 17 17 GLU CA C 17 59.050 59.050 58.846 0.204 18713 5404 1 9 . 1 1 17 17 GLU CB C 17 28.850 28.850 29.379 -0.529 18713 5405 1 9 . 1 1 17 17 GLU H H 17 7.705 7.705 7.432 0.273 18713 5406 1 9 . 1 1 18 18 PHE N N 18 117.450 117.450 118.043 -0.593 18713 5407 1 9 . 1 1 18 18 PHE HA H 18 4.396 4.396 4.513 -0.117 18713 5408 1 9 . 1 1 18 18 PHE C C 18 177.130 177.130 178.077 -0.947 18713 5409 1 9 . 1 1 18 18 PHE CA C 18 60.720 60.720 58.010 2.710 18713 5410 1 9 . 1 1 18 18 PHE CB C 18 39.880 39.880 38.166 1.714 18713 5411 1 9 . 1 1 18 18 PHE H H 18 7.911 7.911 7.403 0.508 18713 5412 1 9 . 1 1 19 19 THR N N 19 115.450 115.450 113.817 1.633 18713 5413 1 9 . 1 1 19 19 THR HA H 19 4.510 4.510 4.370 0.140 18713 5414 1 9 . 1 1 19 19 THR C C 19 175.160 175.160 174.996 0.164 18713 5415 1 9 . 1 1 19 19 THR CA C 19 63.880 63.880 63.445 0.435 18713 5416 1 9 . 1 1 19 19 THR CB C 19 69.450 69.450 67.818 1.632 18713 5417 1 9 . 1 1 19 19 THR H H 19 8.270 8.270 8.737 -0.467 18713 5418 1 9 . 1 1 20 20 THR N N 20 114.370 114.370 116.675 -2.305 18713 5419 1 9 . 1 1 20 20 THR HA H 20 4.262 4.262 4.087 0.175 18713 5420 1 9 . 1 1 20 20 THR C C 20 175.280 175.280 175.137 0.143 18713 5421 1 9 . 1 1 20 20 THR CA C 20 63.850 63.850 64.360 -0.510 18713 5422 1 9 . 1 1 20 20 THR CB C 20 69.250 69.250 68.718 0.532 18713 5423 1 9 . 1 1 20 20 THR H H 20 7.974 7.974 7.340 0.634 18713 5424 1 9 . 1 1 21 21 LYS N N 21 119.710 119.710 118.953 0.757 18713 5425 1 9 . 1 1 21 21 LYS HA H 21 4.291 4.291 4.258 0.033 18713 5426 1 9 . 1 1 21 21 LYS C C 21 176.070 176.070 177.404 -1.334 18713 5427 1 9 . 1 1 21 21 LYS CA C 21 57.180 57.180 56.543 0.637 18713 5428 1 9 . 1 1 21 21 LYS CB C 21 32.830 32.830 31.579 1.251 18713 5429 1 9 . 1 1 21 21 LYS H H 21 7.519 7.519 7.758 -0.239 18713 5430 1 9 . 1 1 22 22 ASP N N 22 119.020 119.020 122.466 -3.446 18713 5431 1 9 . 1 1 22 22 ASP HA H 22 4.730 4.730 4.583 0.147 18713 5432 1 9 . 1 1 22 22 ASP C C 22 175.080 175.080 176.291 -1.211 18713 5433 1 9 . 1 1 22 22 ASP CA C 22 53.770 53.770 55.274 -1.504 18713 5434 1 9 . 1 1 22 22 ASP CB C 22 39.990 39.990 38.796 1.194 18713 5435 1 9 . 1 1 22 22 ASP H H 22 7.841 7.841 8.147 -0.306 18713 5436 1 9 . 1 1 23 23 GLN N N 23 120.720 120.720 117.501 3.219 18713 5437 1 9 . 1 1 23 23 GLN HA H 23 4.425 4.425 4.107 0.318 18713 5438 1 9 . 1 1 23 23 GLN C C 23 175.860 175.860 176.419 -0.559 18713 5439 1 9 . 1 1 23 23 GLN CA C 23 57.530 57.530 58.105 -0.575 18713 5440 1 9 . 1 1 23 23 GLN CB C 23 29.050 29.050 28.839 0.211 18713 5441 1 9 . 1 1 23 23 GLN H H 23 8.313 8.313 8.424 -0.111 18713 5442 1 9 . 1 1 24 24 ASP N N 24 119.150 119.150 114.294 4.856 18713 5443 1 9 . 1 1 24 24 ASP HA H 24 4.655 4.655 4.752 -0.097 18713 5444 1 9 . 1 1 24 24 ASP C C 24 174.840 174.840 174.603 0.237 18713 5445 1 9 . 1 1 24 24 ASP CA C 24 54.560 54.560 53.892 0.668 18713 5446 1 9 . 1 1 24 24 ASP CB C 24 41.290 41.290 42.860 -1.570 18713 5447 1 9 . 1 1 24 24 ASP H H 24 8.313 8.313 8.095 0.218 18713 5448 1 9 . 1 1 25 25 LEU N N 25 121.240 121.240 120.844 0.396 18713 5449 1 9 . 1 1 25 25 LEU HA H 25 4.602 4.602 4.307 0.295 18713 5450 1 9 . 1 1 25 25 LEU C C 25 176.550 176.550 176.769 -0.219 18713 5451 1 9 . 1 1 25 25 LEU CA C 25 55.060 55.060 55.678 -0.618 18713 5452 1 9 . 1 1 25 25 LEU CB C 25 43.520 43.520 42.715 0.805 18713 5453 1 9 . 1 1 25 25 LEU H H 25 7.572 7.572 7.980 -0.408 18713 5454 1 9 . 1 1 26 26 ARG N N 26 123.560 123.560 120.343 3.217 18713 5455 1 9 . 1 1 26 26 ARG HA H 26 4.787 4.787 4.727 0.060 18713 5456 1 9 . 1 1 26 26 ARG C C 26 174.040 174.040 174.405 -0.365 18713 5457 1 9 . 1 1 26 26 ARG CA C 26 54.010 54.010 55.047 -1.038 18713 5458 1 9 . 1 1 26 26 ARG CB C 26 33.170 33.170 33.262 -0.092 18713 5459 1 9 . 1 1 26 26 ARG H H 26 8.385 8.385 8.323 0.062 18713 5460 1 9 . 1 1 27 27 TRP N N 27 121.230 121.230 125.803 -4.573 18713 5461 1 9 . 1 1 27 27 TRP HA H 27 4.608 4.608 4.866 -0.258 18713 5462 1 9 . 1 1 27 27 TRP C C 27 176.280 176.280 176.521 -0.241 18713 5463 1 9 . 1 1 27 27 TRP CA C 27 56.110 56.110 57.052 -0.942 18713 5464 1 9 . 1 1 27 27 TRP CB C 27 30.350 30.350 29.729 0.622 18713 5465 1 9 . 1 1 27 27 TRP H H 27 8.824 8.824 8.810 0.014 18713 5466 1 9 . 1 1 28 28 GLN N N 28 122.270 122.270 124.060 -1.790 18713 5467 1 9 . 1 1 28 28 GLN HA H 28 4.163 4.163 4.624 -0.461 18713 5468 1 9 . 1 1 28 28 GLN C C 28 176.280 176.280 177.036 -0.756 18713 5469 1 9 . 1 1 28 28 GLN CA C 28 56.850 56.850 54.343 2.507 18713 5470 1 9 . 1 1 28 28 GLN CB C 28 32.830 32.830 29.540 3.290 18713 5471 1 9 . 1 1 28 28 GLN H H 28 8.427 8.427 8.017 0.410 18713 5472 1 9 . 1 1 29 29 SER HA H 29 4.276 4.276 4.149 0.127 18713 5473 1 9 . 1 1 29 29 SER CA C 29 63.180 63.180 61.567 1.613 18713 5474 1 9 . 1 1 29 29 SER CB C 29 62.930 62.930 62.996 -0.066 18713 5475 1 9 . 1 1 30 30 MET HA H 30 4.430 4.430 4.249 0.181 18713 5476 1 9 . 1 1 30 30 MET C C 30 178.450 178.450 177.632 0.818 18713 5477 1 9 . 1 1 30 30 MET CA C 30 57.760 57.760 58.772 -1.012 18713 5478 1 9 . 1 1 30 30 MET CB C 30 32.120 32.120 32.059 0.060 18713 5479 1 9 . 1 1 31 31 ALA N N 31 122.750 122.750 122.633 0.117 18713 5480 1 9 . 1 1 31 31 ALA HA H 31 4.015 4.015 3.861 0.154 18713 5481 1 9 . 1 1 31 31 ALA C C 31 178.090 178.090 179.524 -1.434 18713 5482 1 9 . 1 1 31 31 ALA CA C 31 55.430 55.430 55.239 0.191 18713 5483 1 9 . 1 1 31 31 ALA CB C 31 18.590 18.590 17.473 1.117 18713 5484 1 9 . 1 1 31 31 ALA H H 31 7.619 7.619 7.708 -0.089 18713 5485 1 9 . 1 1 32 32 ILE N N 32 117.950 117.950 117.698 0.252 18713 5486 1 9 . 1 1 32 32 ILE HA H 32 3.691 3.691 3.747 -0.056 18713 5487 1 9 . 1 1 32 32 ILE C C 32 178.410 178.410 177.887 0.523 18713 5488 1 9 . 1 1 32 32 ILE CA C 32 63.290 63.290 64.806 -1.516 18713 5489 1 9 . 1 1 32 32 ILE CB C 32 36.120 36.120 37.864 -1.744 18713 5490 1 9 . 1 1 32 32 ILE H H 32 7.503 7.503 7.207 0.296 18713 5491 1 9 . 1 1 33 33 MET N N 33 118.790 118.790 118.712 0.078 18713 5492 1 9 . 1 1 33 33 MET HA H 33 4.269 4.269 4.152 0.117 18713 5493 1 9 . 1 1 33 33 MET C C 33 177.970 177.970 178.559 -0.589 18713 5494 1 9 . 1 1 33 33 MET CA C 33 57.670 57.670 57.365 0.305 18713 5495 1 9 . 1 1 33 33 MET CB C 33 32.040 32.040 31.074 0.966 18713 5496 1 9 . 1 1 33 33 MET H H 33 8.034 8.034 7.665 0.369 18713 5497 1 9 . 1 1 34 34 ALA N N 34 122.470 122.470 122.623 -0.153 18713 5498 1 9 . 1 1 34 34 ALA HA H 34 3.944 3.944 4.065 -0.121 18713 5499 1 9 . 1 1 34 34 ALA C C 34 179.680 179.680 179.481 0.199 18713 5500 1 9 . 1 1 34 34 ALA CA C 34 55.290 55.290 55.221 0.069 18713 5501 1 9 . 1 1 34 34 ALA CB C 34 17.050 17.050 18.171 -1.121 18713 5502 1 9 . 1 1 34 34 ALA H H 34 8.007 8.007 8.681 -0.674 18713 5503 1 9 . 1 1 35 35 LEU N N 35 118.310 118.310 119.162 -0.852 18713 5504 1 9 . 1 1 35 35 LEU HA H 35 3.945 3.945 4.072 -0.127 18713 5505 1 9 . 1 1 35 35 LEU C C 35 179.630 179.630 179.509 0.121 18713 5506 1 9 . 1 1 35 35 LEU CA C 35 57.880 57.880 58.142 -0.261 18713 5507 1 9 . 1 1 35 35 LEU CB C 35 42.710 42.710 40.933 1.777 18713 5508 1 9 . 1 1 35 35 LEU H H 35 8.003 8.003 7.637 0.366 18713 5509 1 9 . 1 1 36 36 GLN N N 36 122.480 122.480 118.255 4.225 18713 5510 1 9 . 1 1 36 36 GLN HA H 36 3.718 3.718 4.169 -0.451 18713 5511 1 9 . 1 1 36 36 GLN C C 36 177.850 177.850 178.998 -1.148 18713 5512 1 9 . 1 1 36 36 GLN CA C 36 60.150 60.150 58.931 1.219 18713 5513 1 9 . 1 1 36 36 GLN CB C 36 28.150 28.150 28.121 0.029 18713 5514 1 9 . 1 1 36 36 GLN H H 36 8.532 8.532 7.946 0.586 18713 5515 1 9 . 1 1 37 37 GLU N N 37 120.790 120.790 119.763 1.027 18713 5516 1 9 . 1 1 37 37 GLU HA H 37 4.043 4.043 4.434 -0.391 18713 5517 1 9 . 1 1 37 37 GLU C C 37 179.190 179.190 179.010 0.180 18713 5518 1 9 . 1 1 37 37 GLU CA C 37 59.650 59.650 58.778 0.873 18713 5519 1 9 . 1 1 37 37 GLU CB C 37 28.120 28.120 29.354 -1.234 18713 5520 1 9 . 1 1 37 37 GLU H H 37 8.562 8.562 8.410 0.152 18713 5521 1 9 . 1 1 38 38 ALA N N 38 121.430 121.430 122.438 -1.008 18713 5522 1 9 . 1 1 38 38 ALA HA H 38 4.228 4.228 4.026 0.202 18713 5523 1 9 . 1 1 38 38 ALA C C 38 179.740 179.740 180.010 -0.270 18713 5524 1 9 . 1 1 38 38 ALA CA C 38 54.550 54.550 55.260 -0.710 18713 5525 1 9 . 1 1 38 38 ALA CB C 38 19.050 19.050 18.321 0.729 18713 5526 1 9 . 1 1 38 38 ALA H H 38 8.626 8.626 8.480 0.146 18713 5527 1 9 . 1 1 39 39 SER N N 39 115.350 115.350 114.300 1.050 18713 5528 1 9 . 1 1 39 39 SER HA H 39 4.159 4.159 4.235 -0.076 18713 5529 1 9 . 1 1 39 39 SER C C 39 174.490 174.490 176.760 -2.270 18713 5530 1 9 . 1 1 39 39 SER CA C 39 62.550 62.550 61.797 0.753 18713 5531 1 9 . 1 1 39 39 SER CB C 39 64.580 64.580 63.342 1.238 18713 5532 1 9 . 1 1 39 39 SER H H 39 8.160 8.160 8.248 -0.088 18713 5533 1 9 . 1 1 40 40 GLU N N 40 123.380 123.380 120.641 2.739 18713 5534 1 9 . 1 1 40 40 GLU HA H 40 3.545 3.545 4.133 -0.588 18713 5535 1 9 . 1 1 40 40 GLU C C 40 177.080 177.080 178.683 -1.603 18713 5536 1 9 . 1 1 40 40 GLU CA C 40 59.890 59.890 58.939 0.951 18713 5537 1 9 . 1 1 40 40 GLU CB C 40 28.150 28.150 29.392 -1.242 18713 5538 1 9 . 1 1 40 40 GLU H H 40 7.632 7.632 8.078 -0.446 18713 5539 1 9 . 1 1 41 41 ALA N N 41 120.090 120.090 122.557 -2.467 18713 5540 1 9 . 1 1 41 41 ALA HA H 41 4.007 4.007 4.080 -0.073 18713 5541 1 9 . 1 1 41 41 ALA C C 41 180.370 180.370 179.474 0.896 18713 5542 1 9 . 1 1 41 41 ALA CA C 41 54.930 54.930 54.679 0.251 18713 5543 1 9 . 1 1 41 41 ALA CB C 41 18.150 18.150 18.033 0.117 18713 5544 1 9 . 1 1 41 41 ALA H H 41 7.860 7.860 8.066 -0.206 18713 5545 1 9 . 1 1 42 42 TYR N N 42 120.400 120.400 119.892 0.508 18713 5546 1 9 . 1 1 42 42 TYR HA H 42 3.970 3.970 4.118 -0.148 18713 5547 1 9 . 1 1 42 42 TYR C C 42 177.220 177.220 177.629 -0.409 18713 5548 1 9 . 1 1 42 42 TYR CA C 42 60.350 60.350 61.869 -1.519 18713 5549 1 9 . 1 1 42 42 TYR CB C 42 38.450 38.450 38.655 -0.205 18713 5550 1 9 . 1 1 42 42 TYR H H 42 8.266 8.266 8.102 0.164 18713 5551 1 9 . 1 1 43 43 LEU N N 43 119.630 119.630 119.742 -0.112 18713 5552 1 9 . 1 1 43 43 LEU HA H 43 3.812 3.812 3.879 -0.067 18713 5553 1 9 . 1 1 43 43 LEU C C 43 177.790 177.790 178.612 -0.822 18713 5554 1 9 . 1 1 43 43 LEU CA C 43 57.530 57.530 58.449 -0.919 18713 5555 1 9 . 1 1 43 43 LEU CB C 43 41.990 41.990 41.863 0.127 18713 5556 1 9 . 1 1 43 43 LEU H H 43 8.080 8.080 7.922 0.158 18713 5557 1 9 . 1 1 44 44 VAL N N 44 118.320 118.320 118.796 -0.476 18713 5558 1 9 . 1 1 44 44 VAL HA H 44 3.450 3.450 3.492 -0.042 18713 5559 1 9 . 1 1 44 44 VAL C C 44 177.960 177.960 177.943 0.017 18713 5560 1 9 . 1 1 44 44 VAL CA C 44 67.150 67.150 66.991 0.159 18713 5561 1 9 . 1 1 44 44 VAL CB C 44 31.250 31.250 31.295 -0.045 18713 5562 1 9 . 1 1 44 44 VAL H H 44 8.415 8.415 7.895 0.520 18713 5563 1 9 . 1 1 45 45 GLY N N 45 106.020 106.020 107.800 -1.780 18713 5564 1 9 . 1 1 45 45 GLY C C 45 176.070 176.070 175.926 0.144 18713 5565 1 9 . 1 1 45 45 GLY CA C 45 47.410 47.410 47.139 0.271 18713 5566 1 9 . 1 1 45 45 GLY H H 45 7.747 7.747 7.736 0.011 18713 5567 1 9 . 1 1 46 46 LEU N N 46 122.340 122.340 123.604 -1.264 18713 5568 1 9 . 1 1 46 46 LEU HA H 46 4.002 4.002 4.077 -0.075 18713 5569 1 9 . 1 1 46 46 LEU C C 46 179.520 179.520 178.792 0.728 18713 5570 1 9 . 1 1 46 46 LEU CA C 46 57.410 57.410 57.564 -0.154 18713 5571 1 9 . 1 1 46 46 LEU CB C 46 42.350 42.350 42.040 0.310 18713 5572 1 9 . 1 1 46 46 LEU H H 46 7.802 7.802 7.814 -0.012 18713 5573 1 9 . 1 1 47 47 LEU N N 47 118.450 118.450 120.475 -2.025 18713 5574 1 9 . 1 1 47 47 LEU HA H 47 4.169 4.169 3.956 0.213 18713 5575 1 9 . 1 1 47 47 LEU C C 47 178.210 178.210 178.503 -0.293 18713 5576 1 9 . 1 1 47 47 LEU CA C 47 56.950 56.950 58.202 -1.252 18713 5577 1 9 . 1 1 47 47 LEU CB C 47 41.850 41.850 41.718 0.132 18713 5578 1 9 . 1 1 47 47 LEU H H 47 8.082 8.082 8.547 -0.465 18713 5579 1 9 . 1 1 48 48 GLU N N 48 116.980 116.980 116.377 0.603 18713 5580 1 9 . 1 1 48 48 GLU HA H 48 4.142 4.142 3.963 0.179 18713 5581 1 9 . 1 1 48 48 GLU C C 48 177.120 177.120 178.393 -1.273 18713 5582 1 9 . 1 1 48 48 GLU CA C 48 57.450 57.450 58.596 -1.146 18713 5583 1 9 . 1 1 48 48 GLU CB C 48 30.010 30.010 29.592 0.418 18713 5584 1 9 . 1 1 48 48 GLU H H 48 7.870 7.870 8.286 -0.416 18713 5585 1 9 . 1 1 49 49 HIS N N 49 114.660 114.660 114.276 0.384 18713 5586 1 9 . 1 1 49 49 HIS HA H 49 4.878 4.878 4.726 0.152 18713 5587 1 9 . 1 1 49 49 HIS C C 49 174.070 174.070 176.259 -2.189 18713 5588 1 9 . 1 1 49 49 HIS CA C 49 55.760 55.760 57.629 -1.869 18713 5589 1 9 . 1 1 49 49 HIS CB C 49 29.880 29.880 31.538 -1.657 18713 5590 1 9 . 1 1 49 49 HIS H H 49 7.833 7.833 8.199 -0.366 18713 5591 1 9 . 1 1 50 50 THR N N 50 113.050 113.050 113.014 0.036 18713 5592 1 9 . 1 1 50 50 THR HA H 50 4.571 4.571 3.835 0.736 18713 5593 1 9 . 1 1 50 50 THR C C 50 173.390 173.390 175.133 -1.743 18713 5594 1 9 . 1 1 50 50 THR CA C 50 61.880 61.880 64.841 -2.961 18713 5595 1 9 . 1 1 50 50 THR CB C 50 70.350 70.350 67.838 2.512 18713 5596 1 9 . 1 1 50 50 THR H H 50 7.871 7.871 8.459 -0.588 18713 5597 1 9 . 1 1 51 51 ASN N N 51 119.760 119.760 118.787 0.973 18713 5598 1 9 . 1 1 51 51 ASN HA H 51 4.868 4.868 4.337 0.531 18713 5599 1 9 . 1 1 51 51 ASN C C 51 175.440 175.440 175.830 -0.390 18713 5600 1 9 . 1 1 51 51 ASN CA C 51 52.870 52.870 54.475 -1.605 18713 5601 1 9 . 1 1 51 51 ASN CB C 51 38.470 38.470 37.160 1.310 18713 5602 1 9 . 1 1 51 51 ASN H H 51 8.477 8.477 8.565 -0.088 18713 5603 1 9 . 1 1 52 52 LEU N N 52 121.360 121.360 118.129 3.231 18713 5604 1 9 . 1 1 52 52 LEU HA H 52 4.144 4.144 4.173 -0.029 18713 5605 1 9 . 1 1 52 52 LEU C C 52 177.440 177.440 178.349 -0.909 18713 5606 1 9 . 1 1 52 52 LEU CA C 52 56.880 56.880 55.930 0.950 18713 5607 1 9 . 1 1 52 52 LEU CB C 52 42.240 42.240 41.073 1.167 18713 5608 1 9 . 1 1 52 52 LEU H H 52 8.089 8.089 8.446 -0.357 18713 5609 1 9 . 1 1 53 53 LEU N N 53 119.350 119.350 117.091 2.259 18713 5610 1 9 . 1 1 53 53 LEU HA H 53 4.255 4.255 4.106 0.149 18713 5611 1 9 . 1 1 53 53 LEU C C 53 177.360 177.360 178.380 -1.020 18713 5612 1 9 . 1 1 53 53 LEU CA C 53 56.010 56.010 56.906 -0.896 18713 5613 1 9 . 1 1 53 53 LEU CB C 53 41.770 41.770 39.828 1.942 18713 5614 1 9 . 1 1 53 53 LEU H H 53 8.165 8.165 7.895 0.270 18713 5615 1 9 . 1 1 54 54 ALA N N 54 122.310 122.310 122.322 -0.012 18713 5616 1 9 . 1 1 54 54 ALA HA H 54 4.222 4.222 4.077 0.145 18713 5617 1 9 . 1 1 54 54 ALA C C 54 177.620 177.620 178.888 -1.268 18713 5618 1 9 . 1 1 54 54 ALA CA C 54 53.250 53.250 54.938 -1.688 18713 5619 1 9 . 1 1 54 54 ALA CB C 54 18.820 18.820 18.629 0.191 18713 5620 1 9 . 1 1 54 54 ALA H H 54 7.969 7.969 7.621 0.348 18713 5621 1 9 . 1 1 55 55 LEU N N 55 117.930 117.930 115.848 2.082 18713 5622 1 9 . 1 1 55 55 LEU HA H 55 4.233 4.233 4.193 0.040 18713 5623 1 9 . 1 1 55 55 LEU C C 55 176.740 176.740 178.853 -2.113 18713 5624 1 9 . 1 1 55 55 LEU CA C 55 55.420 55.420 56.974 -1.554 18713 5625 1 9 . 1 1 55 55 LEU CB C 55 42.350 42.350 42.083 0.267 18713 5626 1 9 . 1 1 55 55 LEU H H 55 7.696 7.696 7.803 -0.107 18713 5627 1 9 . 1 1 56 56 HIS N N 56 117.120 117.120 116.741 0.379 18713 5628 1 9 . 1 1 56 56 HIS HA H 56 4.665 4.665 4.438 0.227 18713 5629 1 9 . 1 1 56 56 HIS C C 56 174.150 174.150 175.073 -0.923 18713 5630 1 9 . 1 1 56 56 HIS CA C 56 55.420 55.420 58.639 -3.219 18713 5631 1 9 . 1 1 56 56 HIS CB C 56 29.250 29.250 30.392 -1.142 18713 5632 1 9 . 1 1 56 56 HIS H H 56 8.196 8.196 7.599 0.597 18713 5633 1 9 . 1 1 57 57 LEU N N 57 120.690 120.690 118.200 2.490 18713 5634 1 9 . 1 1 57 57 LEU HA H 57 4.414 4.414 4.631 -0.217 18713 5635 1 9 . 1 1 57 57 LEU C C 57 175.760 175.760 175.364 0.396 18713 5636 1 9 . 1 1 57 57 LEU CA C 57 55.410 55.410 54.205 1.205 18713 5637 1 9 . 1 1 57 57 LEU CB C 57 42.470 42.470 44.763 -2.293 18713 5638 1 9 . 1 1 57 57 LEU H H 57 7.989 7.989 7.573 0.416 18713 5639 1 9 . 1 1 58 58 VAL N N 58 119.740 119.740 120.559 -0.819 18713 5640 1 9 . 1 1 58 58 VAL HA H 58 4.485 4.485 4.519 -0.034 18713 5641 1 9 . 1 1 58 58 VAL C C 58 173.880 173.880 174.016 -0.136 18713 5642 1 9 . 1 1 58 58 VAL CA C 58 59.520 59.520 58.251 1.269 18713 5643 1 9 . 1 1 58 58 VAL CB C 58 32.710 32.710 32.802 -0.092 18713 5644 1 9 . 1 1 58 58 VAL H H 58 7.848 7.848 8.152 -0.304 18713 5645 1 9 . 1 1 59 59 PRO HA H 59 4.449 4.449 4.422 0.027 18713 5646 1 9 . 1 1 59 59 PRO C C 59 174.250 174.250 176.360 -2.110 18713 5647 1 9 . 1 1 59 59 PRO CA C 59 63.200 63.200 62.781 0.419 18713 5648 1 9 . 1 1 59 59 PRO CB C 59 32.120 32.120 32.229 -0.109 18713 5649 1 9 . 1 1 60 60 ARG N N 60 121.450 121.450 122.942 -1.492 18713 5650 1 9 . 1 1 60 60 ARG HA H 60 4.335 4.335 4.167 0.168 18713 5651 1 9 . 1 1 60 60 ARG C C 60 176.620 176.620 177.823 -1.203 18713 5652 1 9 . 1 1 60 60 ARG CA C 60 56.460 56.460 57.636 -1.176 18713 5653 1 9 . 1 1 60 60 ARG CB C 60 30.720 30.720 30.143 0.577 18713 5654 1 9 . 1 1 60 60 ARG H H 60 8.397 8.397 8.604 -0.207 18713 5655 1 9 . 1 1 61 61 GLY N N 61 110.770 110.770 110.490 0.280 18713 5656 1 9 . 1 1 61 61 GLY C C 61 174.090 174.090 174.680 -0.590 18713 5657 1 9 . 1 1 61 61 GLY CA C 61 45.650 45.650 44.681 0.969 18713 5658 1 9 . 1 1 61 61 GLY H H 61 8.541 8.541 8.563 -0.022 18713 5659 1 9 . 1 1 62 62 SER N N 62 115.890 115.890 115.000 0.890 18713 5660 1 9 . 1 1 62 62 SER HA H 62 4.470 4.470 4.113 0.357 18713 5661 1 9 . 1 1 62 62 SER C C 62 174.270 174.270 175.323 -1.053 18713 5662 1 9 . 1 1 62 62 SER CA C 62 58.750 58.750 59.293 -0.543 18713 5663 1 9 . 1 1 62 62 SER CB C 62 64.100 64.100 62.191 1.909 18713 5664 1 9 . 1 1 62 62 SER H H 62 8.145 8.145 7.977 0.168 18713 5665 1 9 . 1 1 63 63 LYS N N 63 122.680 122.680 123.590 -0.910 18713 5666 1 9 . 1 1 63 63 LYS HA H 63 4.372 4.372 3.955 0.417 18713 5667 1 9 . 1 1 63 63 LYS C C 63 175.950 175.950 177.161 -1.211 18713 5668 1 9 . 1 1 63 63 LYS CA C 63 56.120 56.120 58.127 -2.007 18713 5669 1 9 . 1 1 63 63 LYS CB C 63 32.830 32.830 32.626 0.205 18713 5670 1 9 . 1 1 63 63 LYS H H 63 8.336 8.336 8.406 -0.070 18713 5671 1 9 . 1 1 64 64 ARG N N 64 120.930 120.930 115.993 4.937 18713 5672 1 9 . 1 1 64 64 ARG HA H 64 4.395 4.395 4.087 0.308 18713 5673 1 9 . 1 1 64 64 ARG C C 64 175.550 175.550 176.735 -1.185 18713 5674 1 9 . 1 1 64 64 ARG CA C 64 56.350 56.350 57.537 -1.187 18713 5675 1 9 . 1 1 64 64 ARG CB C 64 30.950 30.950 28.873 2.077 18713 5676 1 9 . 1 1 64 64 ARG H H 64 8.187 8.187 8.353 -0.166 18713 5677 1 9 . 1 1 65 65 ILE N N 65 121.120 121.120 116.851 4.269 18713 5678 1 9 . 1 1 65 65 ILE HA H 65 4.255 4.255 3.809 0.446 18713 5679 1 9 . 1 1 65 65 ILE C C 65 175.880 175.880 176.440 -0.560 18713 5680 1 9 . 1 1 65 65 ILE CA C 65 61.170 61.170 63.102 -1.933 18713 5681 1 9 . 1 1 65 65 ILE CB C 65 38.820 38.820 38.173 0.646 18713 5682 1 9 . 1 1 65 65 ILE H H 65 8.165 8.165 7.728 0.437 18713 5683 1 9 . 1 1 66 66 SER N N 66 120.720 120.720 112.246 8.474 18713 5684 1 9 . 1 1 66 66 SER HA H 66 4.511 4.511 4.155 0.356 18713 5685 1 9 . 1 1 66 66 SER C C 66 174.490 174.490 174.207 0.283 18713 5686 1 9 . 1 1 66 66 SER CA C 66 58.580 58.580 58.704 -0.124 18713 5687 1 9 . 1 1 66 66 SER CB C 66 64.110 64.110 62.223 1.887 18713 5688 1 9 . 1 1 66 66 SER H H 66 8.346 8.346 8.205 0.141 18713 5689 1 9 . 1 1 67 67 GLY N N 67 110.050 110.050 106.448 3.602 18713 5690 1 9 . 1 1 67 67 GLY C C 67 175.840 175.840 174.199 1.641 18713 5691 1 9 . 1 1 67 67 GLY CA C 67 45.480 45.480 44.495 0.985 18713 5692 1 9 . 1 1 67 67 GLY H H 67 8.275 8.275 7.902 0.373 18713 5693 1 9 . 1 1 68 68 LEU N N 68 120.990 120.990 123.294 -2.304 18713 5694 1 9 . 1 1 68 68 LEU HA H 68 4.492 4.492 4.374 0.118 18713 5695 1 9 . 1 1 68 68 LEU C C 68 177.450 177.450 178.347 -0.897 18713 5696 1 9 . 1 1 68 68 LEU CA C 68 55.410 55.410 55.243 0.167 18713 5697 1 9 . 1 1 68 68 LEU CB C 68 42.710 42.710 42.264 0.446 18713 5698 1 9 . 1 1 68 68 LEU H H 68 8.057 8.057 8.627 -0.570 18713 5699 1 9 . 1 1 70 70 TYR HA H 70 4.039 4.039 4.199 -0.160 18713 5700 1 9 . 1 1 70 70 TYR CA C 70 61.650 61.650 61.634 0.016 18713 5701 1 9 . 1 1 70 70 TYR CB C 70 38.250 38.250 37.937 0.313 18713 5702 1 9 . 1 1 71 71 GLU N N 71 117.580 117.580 118.618 -1.038 18713 5703 1 9 . 1 1 71 71 GLU HA H 71 4.173 4.173 3.943 0.230 18713 5704 1 9 . 1 1 71 71 GLU CA C 71 60.120 60.120 60.290 -0.170 18713 5705 1 9 . 1 1 71 71 GLU CB C 71 29.080 29.080 29.211 -0.131 18713 5706 1 9 . 1 1 71 71 GLU H H 71 8.999 8.999 8.880 0.119 18713 5707 1 9 . 1 1 72 72 GLU N N 72 119.620 119.620 119.855 -0.235 18713 5708 1 9 . 1 1 72 72 GLU HA H 72 4.165 4.165 4.029 0.136 18713 5709 1 9 . 1 1 72 72 GLU C C 72 178.090 178.090 179.302 -1.212 18713 5710 1 9 . 1 1 72 72 GLU CA C 72 58.350 58.350 59.293 -0.943 18713 5711 1 9 . 1 1 72 72 GLU CB C 72 29.880 29.880 29.690 0.190 18713 5712 1 9 . 1 1 72 72 GLU H H 72 7.760 7.760 7.947 -0.187 18713 5713 1 9 . 1 1 73 73 VAL N N 73 117.510 117.510 119.395 -1.885 18713 5714 1 9 . 1 1 73 73 VAL HA H 73 3.757 3.757 3.605 0.152 18713 5715 1 9 . 1 1 73 73 VAL C C 73 176.620 176.620 178.298 -1.678 18713 5716 1 9 . 1 1 73 73 VAL CA C 73 65.450 65.450 66.361 -0.911 18713 5717 1 9 . 1 1 73 73 VAL CB C 73 31.540 31.540 30.914 0.626 18713 5718 1 9 . 1 1 73 73 VAL H H 73 7.869 7.869 8.239 -0.370 18713 5719 1 9 . 1 1 74 74 ARG N N 74 120.440 120.440 119.525 0.915 18713 5720 1 9 . 1 1 74 74 ARG HA H 74 3.649 3.649 3.974 -0.325 18713 5721 1 9 . 1 1 74 74 ARG C C 74 176.860 176.860 178.504 -1.644 18713 5722 1 9 . 1 1 74 74 ARG CA C 74 59.950 59.950 58.809 1.141 18713 5723 1 9 . 1 1 74 74 ARG CB C 74 30.070 30.070 29.626 0.444 18713 5724 1 9 . 1 1 74 74 ARG H H 74 8.335 8.335 7.935 0.400 18713 5725 1 9 . 1 1 75 75 ALA N N 75 119.490 119.490 122.226 -2.736 18713 5726 1 9 . 1 1 75 75 ALA HA H 75 4.157 4.157 4.249 -0.092 18713 5727 1 9 . 1 1 75 75 ALA C C 75 180.380 180.380 180.009 0.371 18713 5728 1 9 . 1 1 75 75 ALA CA C 75 55.540 55.540 54.786 0.754 18713 5729 1 9 . 1 1 75 75 ALA CB C 75 18.320 18.320 18.329 -0.009 18713 5730 1 9 . 1 1 75 75 ALA H H 75 7.725 7.725 8.369 -0.644 18713 5731 1 9 . 1 1 76 76 VAL N N 76 116.910 116.910 119.413 -2.503 18713 5732 1 9 . 1 1 76 76 VAL HA H 76 4.125 4.125 3.889 0.236 18713 5733 1 9 . 1 1 76 76 VAL C C 76 178.340 178.340 177.197 1.143 18713 5734 1 9 . 1 1 76 76 VAL CA C 76 64.950 64.950 64.947 0.003 18713 5735 1 9 . 1 1 76 76 VAL CB C 76 31.820 31.820 31.610 0.210 18713 5736 1 9 . 1 1 76 76 VAL H H 76 7.814 7.814 8.322 -0.508 18713 5737 1 9 . 1 1 77 77 LEU N N 77 121.020 121.020 120.567 0.453 18713 5738 1 9 . 1 1 77 77 LEU HA H 77 4.425 4.425 3.876 0.549 18713 5739 1 9 . 1 1 77 77 LEU C C 77 177.930 177.930 178.374 -0.444 18713 5740 1 9 . 1 1 77 77 LEU CA C 77 57.250 57.250 58.215 -0.965 18713 5741 1 9 . 1 1 77 77 LEU CB C 77 43.010 43.010 41.303 1.707 18713 5742 1 9 . 1 1 77 77 LEU H H 77 8.389 8.389 7.788 0.601 18713 5743 1 9 . 1 1 78 78 LYS N N 78 120.530 120.530 120.139 0.391 18713 5744 1 9 . 1 1 78 78 LYS HA H 78 3.907 3.907 4.029 -0.122 18713 5745 1 9 . 1 1 78 78 LYS C C 78 177.320 177.320 178.384 -1.064 18713 5746 1 9 . 1 1 78 78 LYS CA C 78 61.350 61.350 60.478 0.872 18713 5747 1 9 . 1 1 78 78 LYS CB C 78 32.450 32.450 32.022 0.428 18713 5748 1 9 . 1 1 78 78 LYS H H 78 8.757 8.757 8.094 0.663 18713 5749 1 9 . 1 1 79 79 SER N N 79 113.040 113.040 115.546 -2.506 18713 5750 1 9 . 1 1 79 79 SER HA H 79 4.270 4.270 4.153 0.117 18713 5751 1 9 . 1 1 79 79 SER C C 79 177.320 177.320 176.372 0.948 18713 5752 1 9 . 1 1 79 79 SER CA C 79 62.250 62.250 61.656 0.594 18713 5753 1 9 . 1 1 79 79 SER CB C 79 63.050 63.050 62.776 0.274 18713 5754 1 9 . 1 1 79 79 SER H H 79 8.055 8.055 7.635 0.420 18713 5755 1 9 . 1 1 80 80 PHE N N 80 123.520 123.520 123.795 -0.275 18713 5756 1 9 . 1 1 80 80 PHE HA H 80 4.255 4.255 4.172 0.083 18713 5757 1 9 . 1 1 80 80 PHE C C 80 176.480 176.480 177.072 -0.592 18713 5758 1 9 . 1 1 80 80 PHE CA C 80 60.650 60.650 61.298 -0.648 18713 5759 1 9 . 1 1 80 80 PHE CB C 80 39.450 39.450 38.829 0.621 18713 5760 1 9 . 1 1 80 80 PHE H H 80 7.734 7.734 8.147 -0.413 18713 5761 1 9 . 1 1 81 81 LEU N N 81 119.370 119.370 119.762 -0.392 18713 5762 1 9 . 1 1 81 81 LEU HA H 81 3.558 3.558 3.369 0.189 18713 5763 1 9 . 1 1 81 81 LEU C C 81 178.280 178.280 179.047 -0.767 18713 5764 1 9 . 1 1 81 81 LEU CA C 81 57.650 57.650 58.203 -0.553 18713 5765 1 9 . 1 1 81 81 LEU CB C 81 42.750 42.750 41.481 1.269 18713 5766 1 9 . 1 1 81 81 LEU H H 81 8.693 8.693 9.021 -0.328 18713 5767 1 9 . 1 1 82 82 GLU N N 82 118.350 118.350 118.949 -0.599 18713 5768 1 9 . 1 1 82 82 GLU HA H 82 3.785 3.785 3.885 -0.100 18713 5769 1 9 . 1 1 82 82 GLU C C 82 177.870 177.870 179.409 -1.539 18713 5770 1 9 . 1 1 82 82 GLU CA C 82 60.550 60.550 59.501 1.049 18713 5771 1 9 . 1 1 82 82 GLU CB C 82 29.280 29.280 28.979 0.301 18713 5772 1 9 . 1 1 82 82 GLU H H 82 8.869 8.869 8.705 0.164 18713 5773 1 9 . 1 1 83 83 SER N N 83 113.610 113.610 115.495 -1.885 18713 5774 1 9 . 1 1 83 83 SER HA H 83 4.165 4.165 4.132 0.033 18713 5775 1 9 . 1 1 83 83 SER C C 83 177.830 177.830 176.770 1.060 18713 5776 1 9 . 1 1 83 83 SER CA C 83 61.150 61.150 62.209 -1.059 18713 5777 1 9 . 1 1 83 83 SER CB C 83 62.750 62.750 63.122 -0.372 18713 5778 1 9 . 1 1 83 83 SER H H 83 7.474 7.474 8.289 -0.815 18713 5779 1 9 . 1 1 84 84 VAL N N 84 121.040 121.040 122.532 -1.492 18713 5780 1 9 . 1 1 84 84 VAL HA H 84 3.660 3.660 3.460 0.200 18713 5781 1 9 . 1 1 84 84 VAL C C 84 179.270 179.270 177.826 1.444 18713 5782 1 9 . 1 1 84 84 VAL CA C 84 65.750 65.750 66.717 -0.967 18713 5783 1 9 . 1 1 84 84 VAL CB C 84 32.030 32.030 31.262 0.768 18713 5784 1 9 . 1 1 84 84 VAL H H 84 7.668 7.668 7.993 -0.325 18713 5785 1 9 . 1 1 85 85 ILE N N 85 123.350 123.350 119.465 3.885 18713 5786 1 9 . 1 1 85 85 ILE HA H 85 3.537 3.537 3.540 -0.003 18713 5787 1 9 . 1 1 85 85 ILE C C 85 176.550 176.550 177.970 -1.420 18713 5788 1 9 . 1 1 85 85 ILE CA C 85 66.710 66.710 65.484 1.226 18713 5789 1 9 . 1 1 85 85 ILE CB C 85 36.210 36.210 37.471 -1.261 18713 5790 1 9 . 1 1 85 85 ILE H H 85 9.086 9.086 7.825 1.261 18713 5791 1 9 . 1 1 86 86 ARG N N 86 120.150 120.150 119.519 0.631 18713 5792 1 9 . 1 1 86 86 ARG HA H 86 3.802 3.802 3.948 -0.146 18713 5793 1 9 . 1 1 86 86 ARG C C 86 178.920 178.920 178.976 -0.056 18713 5794 1 9 . 1 1 86 86 ARG CA C 86 59.980 59.980 60.094 -0.114 18713 5795 1 9 . 1 1 86 86 ARG CB C 86 29.650 29.650 30.004 -0.354 18713 5796 1 9 . 1 1 86 86 ARG H H 86 8.125 8.125 7.634 0.491 18713 5797 1 9 . 1 1 87 87 ASP N N 87 118.810 118.810 118.975 -0.165 18713 5798 1 9 . 1 1 87 87 ASP HA H 87 4.537 4.537 4.589 -0.052 18713 5799 1 9 . 1 1 87 87 ASP C C 87 178.050 178.050 178.707 -0.657 18713 5800 1 9 . 1 1 87 87 ASP CA C 87 57.140 57.140 56.734 0.406 18713 5801 1 9 . 1 1 87 87 ASP CB C 87 40.520 40.520 40.236 0.284 18713 5802 1 9 . 1 1 87 87 ASP H H 87 7.668 7.668 8.484 -0.816 18713 5803 1 9 . 1 1 88 88 SER N N 88 119.350 119.350 116.867 2.483 18713 5804 1 9 . 1 1 88 88 SER HA H 88 4.166 4.166 4.796 -0.630 18713 5805 1 9 . 1 1 88 88 SER C C 88 175.350 175.350 176.021 -0.671 18713 5806 1 9 . 1 1 88 88 SER CA C 88 57.170 57.170 61.393 -4.223 18713 5807 1 9 . 1 1 88 88 SER CB C 88 64.050 64.050 63.102 0.948 18713 5808 1 9 . 1 1 88 88 SER H H 88 8.506 8.506 8.310 0.196 18713 5809 1 9 . 1 1 89 89 VAL N N 89 121.240 121.240 123.001 -1.761 18713 5810 1 9 . 1 1 89 89 VAL HA H 89 3.611 3.611 4.020 -0.409 18713 5811 1 9 . 1 1 89 89 VAL C C 89 177.440 177.440 177.438 0.002 18713 5812 1 9 . 1 1 89 89 VAL CA C 89 65.990 65.990 65.092 0.898 18713 5813 1 9 . 1 1 89 89 VAL CB C 89 31.240 31.240 31.931 -0.691 18713 5814 1 9 . 1 1 89 89 VAL H H 89 8.505 8.505 8.674 -0.169 18713 5815 1 9 . 1 1 90 90 THR N N 90 117.040 117.040 117.368 -0.328 18713 5816 1 9 . 1 1 90 90 THR HA H 90 4.013 4.013 3.957 0.056 18713 5817 1 9 . 1 1 90 90 THR C C 90 177.410 177.410 176.785 0.625 18713 5818 1 9 . 1 1 90 90 THR CA C 90 66.550 66.550 67.549 -0.999 18713 5819 1 9 . 1 1 90 90 THR CB C 90 68.220 68.220 68.490 -0.270 18713 5820 1 9 . 1 1 90 90 THR H H 90 8.016 8.016 7.677 0.339 18713 5821 1 9 . 1 1 91 91 TYR N N 91 122.770 122.770 120.318 2.452 18713 5822 1 9 . 1 1 91 91 TYR HA H 91 4.162 4.162 4.394 -0.232 18713 5823 1 9 . 1 1 91 91 TYR C C 91 178.180 178.180 178.404 -0.224 18713 5824 1 9 . 1 1 91 91 TYR CA C 91 62.470 62.470 61.417 1.053 18713 5825 1 9 . 1 1 91 91 TYR CB C 91 38.030 38.030 37.951 0.079 18713 5826 1 9 . 1 1 91 91 TYR H H 91 7.822 7.822 7.740 0.082 18713 5827 1 9 . 1 1 92 92 THR N N 92 119.350 119.350 113.194 6.156 18713 5828 1 9 . 1 1 92 92 THR HA H 92 3.678 3.678 4.042 -0.364 18713 5829 1 9 . 1 1 92 92 THR C C 92 175.880 175.880 177.287 -1.407 18713 5830 1 9 . 1 1 92 92 THR CA C 92 67.390 67.390 66.677 0.713 18713 5831 1 9 . 1 1 92 92 THR CB C 92 69.190 69.190 68.876 0.314 18713 5832 1 9 . 1 1 92 92 THR H H 92 8.160 8.160 8.553 -0.393 18713 5833 1 9 . 1 1 93 93 GLU N N 93 118.840 118.840 122.180 -3.340 18713 5834 1 9 . 1 1 93 93 GLU HA H 93 4.238 4.238 4.022 0.216 18713 5835 1 9 . 1 1 93 93 GLU C C 93 181.340 181.340 179.241 2.099 18713 5836 1 9 . 1 1 93 93 GLU CA C 93 58.290 58.290 59.443 -1.153 18713 5837 1 9 . 1 1 93 93 GLU CB C 93 28.890 28.890 28.928 -0.038 18713 5838 1 9 . 1 1 93 93 GLU H H 93 8.514 8.514 8.957 -0.443 18713 5839 1 9 . 1 1 94 94 HIS N N 94 120.870 120.870 119.552 1.318 18713 5840 1 9 . 1 1 94 94 HIS HA H 94 4.465 4.465 4.326 0.139 18713 5841 1 9 . 1 1 94 94 HIS C C 94 175.390 175.390 175.105 0.285 18713 5842 1 9 . 1 1 94 94 HIS CA C 94 58.250 58.250 59.005 -0.755 18713 5843 1 9 . 1 1 94 94 HIS CB C 94 28.110 28.110 29.974 -1.864 18713 5844 1 9 . 1 1 94 94 HIS H H 94 8.531 8.531 8.388 0.143 18713 5845 1 9 . 1 1 95 95 ALA N N 95 121.010 121.010 120.295 0.715 18713 5846 1 9 . 1 1 95 95 ALA HA H 95 4.335 4.335 4.466 -0.131 18713 5847 1 9 . 1 1 95 95 ALA C C 95 175.380 175.380 175.765 -0.385 18713 5848 1 9 . 1 1 95 95 ALA CA C 95 51.750 51.750 51.477 0.273 18713 5849 1 9 . 1 1 95 95 ALA CB C 95 18.710 18.710 19.132 -0.422 18713 5850 1 9 . 1 1 95 95 ALA H H 95 7.525 7.525 7.377 0.148 18713 5851 1 9 . 1 1 96 96 LYS N N 96 115.990 115.990 114.646 1.344 18713 5852 1 9 . 1 1 96 96 LYS HA H 96 3.955 3.955 3.851 0.104 18713 5853 1 9 . 1 1 96 96 LYS C C 96 175.020 175.020 176.262 -1.242 18713 5854 1 9 . 1 1 96 96 LYS CA C 96 56.590 56.590 57.401 -0.811 18713 5855 1 9 . 1 1 96 96 LYS CB C 96 28.650 28.650 29.277 -0.627 18713 5856 1 9 . 1 1 96 96 LYS H H 96 8.232 8.232 8.064 0.168 18713 5857 1 9 . 1 1 97 97 ARG N N 97 116.850 116.850 120.273 -3.423 18713 5858 1 9 . 1 1 97 97 ARG HA H 97 4.651 4.651 4.349 0.302 18713 5859 1 9 . 1 1 97 97 ARG C C 97 175.250 175.250 174.872 0.378 18713 5860 1 9 . 1 1 97 97 ARG CA C 97 55.010 55.010 55.169 -0.159 18713 5861 1 9 . 1 1 97 97 ARG CB C 97 35.170 35.170 32.214 2.956 18713 5862 1 9 . 1 1 97 97 ARG H H 97 7.685 7.685 8.338 -0.653 18713 5863 1 9 . 1 1 98 98 LYS N N 98 115.990 115.990 119.625 -3.635 18713 5864 1 9 . 1 1 98 98 LYS HA H 98 4.409 4.409 4.605 -0.196 18713 5865 1 9 . 1 1 98 98 LYS C C 98 174.320 174.320 174.753 -0.433 18713 5866 1 9 . 1 1 98 98 LYS CA C 98 54.500 54.500 55.789 -1.289 18713 5867 1 9 . 1 1 98 98 LYS CB C 98 33.590 33.590 32.081 1.509 18713 5868 1 9 . 1 1 98 98 LYS H H 98 8.232 8.232 8.322 -0.090 18713 5869 1 9 . 1 1 99 99 THR N N 99 114.310 114.310 115.580 -1.270 18713 5870 1 9 . 1 1 99 99 THR HA H 99 4.769 4.769 4.670 0.099 18713 5871 1 9 . 1 1 99 99 THR C C 99 172.170 172.170 172.555 -0.385 18713 5872 1 9 . 1 1 99 99 THR CA C 99 60.510 60.510 61.760 -1.250 18713 5873 1 9 . 1 1 99 99 THR CB C 99 70.180 70.180 72.180 -2.000 18713 5874 1 9 . 1 1 99 99 THR H H 99 6.768 6.768 7.829 -1.061 18713 5875 1 9 . 1 1 100 100 VAL N N 100 128.820 128.820 125.465 3.355 18713 5876 1 9 . 1 1 100 100 VAL HA H 100 3.987 3.987 4.093 -0.106 18713 5877 1 9 . 1 1 100 100 VAL C C 100 175.690 175.690 174.893 0.797 18713 5878 1 9 . 1 1 100 100 VAL CA C 100 61.950 61.950 60.404 1.546 18713 5879 1 9 . 1 1 100 100 VAL CB C 100 32.290 32.290 31.514 0.777 18713 5880 1 9 . 1 1 100 100 VAL H H 100 8.690 8.690 9.082 -0.392 18713 5881 1 9 . 1 1 101 101 THR N N 101 118.310 118.310 116.985 1.325 18713 5882 1 9 . 1 1 101 101 THR HA H 101 4.798 4.798 4.617 0.181 18713 5883 1 9 . 1 1 101 101 THR C C 101 176.460 176.460 175.189 1.271 18713 5884 1 9 . 1 1 101 101 THR CA C 101 59.990 59.990 59.615 0.375 18713 5885 1 9 . 1 1 101 101 THR CB C 101 72.550 72.550 72.027 0.523 18713 5886 1 9 . 1 1 101 101 THR H H 101 9.263 9.263 8.205 1.058 18713 5887 1 9 . 1 1 102 102 SER N N 102 115.810 115.810 119.721 -3.911 18713 5888 1 9 . 1 1 102 102 SER HA H 102 3.913 3.913 4.176 -0.263 18713 5889 1 9 . 1 1 102 102 SER C C 102 175.210 175.210 175.773 -0.563 18713 5890 1 9 . 1 1 102 102 SER CA C 102 61.850 61.850 61.074 0.776 18713 5891 1 9 . 1 1 102 102 SER CB C 102 61.850 61.850 62.345 -0.495 18713 5892 1 9 . 1 1 102 102 SER H H 102 9.148 9.148 8.881 0.267 18713 5893 1 9 . 1 1 103 103 LEU N N 103 121.540 121.540 123.735 -2.195 18713 5894 1 9 . 1 1 103 103 LEU HA H 103 3.965 3.965 3.877 0.088 18713 5895 1 9 . 1 1 103 103 LEU C C 103 177.780 177.780 177.827 -0.047 18713 5896 1 9 . 1 1 103 103 LEU CA C 103 57.630 57.630 58.041 -0.411 18713 5897 1 9 . 1 1 103 103 LEU CB C 103 41.430 41.430 41.450 -0.020 18713 5898 1 9 . 1 1 103 103 LEU H H 103 7.389 7.389 7.501 -0.112 18713 5899 1 9 . 1 1 104 104 ASP N N 104 120.260 120.260 118.559 1.701 18713 5900 1 9 . 1 1 104 104 ASP HA H 104 4.240 4.240 3.781 0.459 18713 5901 1 9 . 1 1 104 104 ASP C C 104 177.230 177.230 178.385 -1.155 18713 5902 1 9 . 1 1 104 104 ASP CA C 104 58.140 58.140 56.615 1.525 18713 5903 1 9 . 1 1 104 104 ASP CB C 104 41.050 41.050 40.442 0.608 18713 5904 1 9 . 1 1 104 104 ASP H H 104 7.240 7.240 7.402 -0.162 18713 5905 1 9 . 1 1 105 105 VAL N N 105 118.230 118.230 120.103 -1.873 18713 5906 1 9 . 1 1 105 105 VAL HA H 105 4.025 4.025 3.673 0.352 18713 5907 1 9 . 1 1 105 105 VAL C C 105 177.550 177.550 178.210 -0.660 18713 5908 1 9 . 1 1 105 105 VAL CA C 105 65.270 65.270 66.557 -1.287 18713 5909 1 9 . 1 1 105 105 VAL CB C 105 31.570 31.570 31.473 0.097 18713 5910 1 9 . 1 1 105 105 VAL H H 105 7.150 7.150 7.470 -0.320 18713 5911 1 9 . 1 1 106 106 VAL N N 106 120.450 120.450 120.453 -0.003 18713 5912 1 9 . 1 1 106 106 VAL HA H 106 3.512 3.512 3.560 -0.048 18713 5913 1 9 . 1 1 106 106 VAL C C 106 178.520 178.520 178.492 0.028 18713 5914 1 9 . 1 1 106 106 VAL CA C 106 67.440 67.440 67.120 0.320 18713 5915 1 9 . 1 1 106 106 VAL CB C 106 31.770 31.770 31.740 0.030 18713 5916 1 9 . 1 1 106 106 VAL H H 106 8.380 8.380 7.907 0.473 18713 5917 1 9 . 1 1 107 107 TYR N N 107 120.160 120.160 118.597 1.563 18713 5918 1 9 . 1 1 107 107 TYR HA H 107 4.113 4.113 4.108 0.005 18713 5919 1 9 . 1 1 107 107 TYR C C 107 177.950 177.950 177.933 0.017 18713 5920 1 9 . 1 1 107 107 TYR CA C 107 60.150 60.150 58.786 1.364 18713 5921 1 9 . 1 1 107 107 TYR CB C 107 36.210 36.210 36.219 -0.009 18713 5922 1 9 . 1 1 107 107 TYR H H 107 8.246 8.246 7.917 0.329 18713 5923 1 9 . 1 1 108 108 ALA N N 108 123.660 123.660 122.195 1.465 18713 5924 1 9 . 1 1 108 108 ALA HA H 108 4.018 4.018 4.171 -0.153 18713 5925 1 9 . 1 1 108 108 ALA C C 108 180.350 180.350 179.830 0.520 18713 5926 1 9 . 1 1 108 108 ALA CA C 108 55.670 55.670 55.164 0.505 18713 5927 1 9 . 1 1 108 108 ALA CB C 108 20.650 20.650 18.382 2.268 18713 5928 1 9 . 1 1 108 108 ALA H H 108 7.912 7.912 8.249 -0.337 18713 5929 1 9 . 1 1 109 109 LEU N N 109 119.820 119.820 119.660 0.160 18713 5930 1 9 . 1 1 109 109 LEU HA H 109 3.887 3.887 4.383 -0.496 18713 5931 1 9 . 1 1 109 109 LEU C C 109 179.290 179.290 179.251 0.039 18713 5932 1 9 . 1 1 109 109 LEU CA C 109 57.870 57.870 57.242 0.628 18713 5933 1 9 . 1 1 109 109 LEU CB C 109 41.430 41.430 41.962 -0.533 18713 5934 1 9 . 1 1 109 109 LEU H H 109 8.727 8.727 8.459 0.268 18713 5935 1 9 . 1 1 110 110 LYS N N 110 120.420 120.420 120.201 0.219 18713 5936 1 9 . 1 1 110 110 LYS HA H 110 4.158 4.158 4.235 -0.077 18713 5937 1 9 . 1 1 110 110 LYS C C 110 179.470 179.470 179.763 -0.293 18713 5938 1 9 . 1 1 110 110 LYS CA C 110 58.850 58.850 59.415 -0.565 18713 5939 1 9 . 1 1 110 110 LYS CB C 110 32.050 32.050 32.483 -0.433 18713 5940 1 9 . 1 1 110 110 LYS H H 110 8.180 8.180 8.484 -0.304 18713 5941 1 9 . 1 1 111 111 ARG N N 111 119.820 119.820 117.229 2.591 18713 5942 1 9 . 1 1 111 111 ARG HA H 111 4.142 4.142 4.260 -0.118 18713 5943 1 9 . 1 1 111 111 ARG C C 111 177.240 177.240 178.370 -1.130 18713 5944 1 9 . 1 1 111 111 ARG CA C 111 58.150 58.150 58.233 -0.082 18713 5945 1 9 . 1 1 111 111 ARG CB C 111 29.810 29.810 29.870 -0.060 18713 5946 1 9 . 1 1 111 111 ARG H H 111 7.765 7.765 7.866 -0.101 18713 5947 1 9 . 1 1 112 112 GLN N N 112 116.120 116.120 118.083 -1.963 18713 5948 1 9 . 1 1 112 112 GLN HA H 112 4.435 4.435 4.299 0.136 18713 5949 1 9 . 1 1 112 112 GLN C C 112 176.060 176.060 176.420 -0.360 18713 5950 1 9 . 1 1 112 112 GLN CA C 112 55.550 55.550 56.469 -0.919 18713 5951 1 9 . 1 1 112 112 GLN CB C 112 28.760 28.760 29.226 -0.466 18713 5952 1 9 . 1 1 112 112 GLN H H 112 7.856 7.856 7.707 0.149 18713 5953 1 9 . 1 1 113 113 GLY N N 113 108.070 108.070 106.256 1.814 18713 5954 1 9 . 1 1 113 113 GLY C C 113 174.240 174.240 173.858 0.382 18713 5955 1 9 . 1 1 113 113 GLY CA C 113 45.953 45.953 44.582 1.371 18713 5956 1 9 . 1 1 113 113 GLY H H 113 8.048 8.048 7.671 0.377 18713 5957 1 9 . 1 1 114 114 ARG N N 114 119.710 119.710 120.485 -0.775 18713 5958 1 9 . 1 1 114 114 ARG HA H 114 4.565 4.565 4.576 -0.011 18713 5959 1 9 . 1 1 114 114 ARG C C 114 175.490 175.490 176.460 -0.970 18713 5960 1 9 . 1 1 114 114 ARG CA C 114 57.950 57.950 54.438 3.512 18713 5961 1 9 . 1 1 114 114 ARG CB C 114 31.510 31.510 31.493 0.017 18713 5962 1 9 . 1 1 114 114 ARG H H 114 8.116 8.116 8.208 -0.092 18713 5963 1 9 . 1 1 115 115 THR N N 115 114.890 114.890 112.763 2.127 18713 5964 1 9 . 1 1 115 115 THR HA H 115 4.262 4.262 3.762 0.500 18713 5965 1 9 . 1 1 115 115 THR C C 115 173.460 173.460 173.352 0.108 18713 5966 1 9 . 1 1 115 115 THR CA C 115 61.820 61.820 62.755 -0.935 18713 5967 1 9 . 1 1 115 115 THR CB C 115 70.050 70.050 67.519 2.531 18713 5968 1 9 . 1 1 115 115 THR H H 115 8.143 8.143 8.487 -0.344 18713 5969 1 9 . 1 1 116 116 LEU N N 116 124.070 124.070 120.419 3.651 18713 5970 1 9 . 1 1 116 116 LEU HA H 116 4.425 4.425 4.379 0.046 18713 5971 1 9 . 1 1 116 116 LEU C C 116 175.830 175.830 177.497 -1.667 18713 5972 1 9 . 1 1 116 116 LEU CA C 116 54.760 54.760 55.508 -0.749 18713 5973 1 9 . 1 1 116 116 LEU CB C 116 43.280 43.280 42.474 0.806 18713 5974 1 9 . 1 1 116 116 LEU H H 116 8.143 8.143 7.670 0.473 18713 5975 1 9 . 1 1 117 117 TYR N N 117 121.630 121.630 123.406 -1.776 18713 5976 1 9 . 1 1 117 117 TYR HA H 117 4.550 4.550 4.682 -0.132 18713 5977 1 9 . 1 1 117 117 TYR C C 117 175.830 175.830 176.393 -0.563 18713 5978 1 9 . 1 1 117 117 TYR CA C 117 58.140 58.140 58.065 0.075 18713 5979 1 9 . 1 1 117 117 TYR CB C 117 38.850 38.850 38.722 0.128 18713 5980 1 9 . 1 1 117 117 TYR H H 117 8.213 8.213 8.835 -0.622 18713 5981 1 9 . 1 1 118 118 GLY N N 118 110.050 110.050 106.257 3.793 18713 5982 1 9 . 1 1 118 118 GLY C C 118 173.660 173.660 174.746 -1.086 18713 5983 1 9 . 1 1 118 118 GLY CA C 118 45.470 45.470 45.049 0.421 18713 5984 1 9 . 1 1 118 118 GLY H H 118 8.275 8.275 8.010 0.265 18713 5985 1 9 . 1 1 119 119 PHE N N 119 119.610 119.610 120.367 -0.757 18713 5986 1 9 . 1 1 119 119 PHE HA H 119 4.612 4.612 4.429 0.183 18713 5987 1 9 . 1 1 119 119 PHE C C 119 175.280 175.280 176.977 -1.697 18713 5988 1 9 . 1 1 119 119 PHE CA C 119 58.060 58.060 58.584 -0.524 18713 5989 1 9 . 1 1 119 119 PHE CB C 119 40.050 40.050 39.191 0.859 18713 5990 1 9 . 1 1 119 119 PHE H H 119 8.033 8.033 8.022 0.011 18713 5991 1 9 . 1 1 120 120 GLY N N 120 110.930 110.930 107.924 3.006 18713 5992 1 9 . 1 1 120 120 GLY C C 120 173.050 173.050 174.818 -1.768 18713 5993 1 9 . 1 1 120 120 GLY CA C 120 45.650 45.650 44.485 1.165 18713 5994 1 9 . 1 1 120 120 GLY H H 120 8.334 8.334 8.083 0.251 18713 5995 1 10 . 1 1 2 2 ILE HA H 2 4.175 4.175 4.103 0.072 18713 5996 1 10 . 1 1 2 2 ILE CA C 2 61.880 61.880 63.154 -1.274 18713 5997 1 10 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.776 -0.006 18713 5998 1 10 . 1 1 3 3 SER N N 3 116.020 116.020 117.173 -1.153 18713 5999 1 10 . 1 1 3 3 SER HA H 3 4.435 4.435 4.250 0.185 18713 6000 1 10 . 1 1 3 3 SER CA C 3 59.590 59.590 60.743 -1.153 18713 6001 1 10 . 1 1 3 3 SER CB C 3 63.640 63.640 63.242 0.398 18713 6002 1 10 . 1 1 3 3 SER H H 3 7.913 7.913 8.261 -0.348 18713 6003 1 10 . 1 1 4 4 LYS N N 4 120.030 120.030 118.811 1.219 18713 6004 1 10 . 1 1 4 4 LYS HA H 4 4.380 4.380 4.295 0.085 18713 6005 1 10 . 1 1 4 4 LYS CA C 4 56.150 56.150 54.744 1.406 18713 6006 1 10 . 1 1 4 4 LYS CB C 4 32.850 32.850 32.783 0.067 18713 6007 1 10 . 1 1 4 4 LYS H H 4 7.979 7.979 7.555 0.424 18713 6008 1 10 . 1 1 7 7 PHE HA H 7 4.023 4.023 4.234 -0.211 18713 6009 1 10 . 1 1 7 7 PHE C C 7 176.700 176.700 177.755 -1.055 18713 6010 1 10 . 1 1 7 7 PHE CA C 7 63.150 63.150 60.448 2.702 18713 6011 1 10 . 1 1 7 7 PHE CB C 7 39.880 39.880 38.096 1.784 18713 6012 1 10 . 1 1 8 8 ALA N N 8 121.230 121.230 122.199 -0.969 18713 6013 1 10 . 1 1 8 8 ALA HA H 8 3.920 3.920 3.966 -0.046 18713 6014 1 10 . 1 1 8 8 ALA C C 8 178.010 178.010 179.615 -1.605 18713 6015 1 10 . 1 1 8 8 ALA CA C 8 55.630 55.630 55.360 0.270 18713 6016 1 10 . 1 1 8 8 ALA CB C 8 17.750 17.750 18.245 -0.495 18713 6017 1 10 . 1 1 8 8 ALA H H 8 8.715 8.715 8.101 0.614 18713 6018 1 10 . 1 1 9 9 ARG N N 9 118.910 118.910 118.440 0.470 18713 6019 1 10 . 1 1 9 9 ARG HA H 9 4.081 4.081 3.956 0.125 18713 6020 1 10 . 1 1 9 9 ARG C C 9 177.790 177.790 178.980 -1.190 18713 6021 1 10 . 1 1 9 9 ARG CA C 9 58.700 58.700 59.595 -0.895 18713 6022 1 10 . 1 1 9 9 ARG CB C 9 30.120 30.120 30.217 -0.097 18713 6023 1 10 . 1 1 9 9 ARG H H 9 7.618 7.618 7.604 0.014 18713 6024 1 10 . 1 1 10 10 LEU N N 10 120.830 120.830 120.923 -0.093 18713 6025 1 10 . 1 1 10 10 LEU HA H 10 4.233 4.233 3.948 0.285 18713 6026 1 10 . 1 1 10 10 LEU C C 10 177.780 177.780 178.913 -1.133 18713 6027 1 10 . 1 1 10 10 LEU CA C 10 57.680 57.680 58.042 -0.362 18713 6028 1 10 . 1 1 10 10 LEU CB C 10 41.680 41.680 41.667 0.013 18713 6029 1 10 . 1 1 10 10 LEU H H 10 7.752 7.752 8.545 -0.793 18713 6030 1 10 . 1 1 11 11 VAL N N 11 117.150 117.150 119.445 -2.295 18713 6031 1 10 . 1 1 11 11 VAL HA H 11 3.425 3.425 3.546 -0.121 18713 6032 1 10 . 1 1 11 11 VAL C C 11 177.830 177.830 178.244 -0.414 18713 6033 1 10 . 1 1 11 11 VAL CA C 11 66.930 66.930 66.838 0.092 18713 6034 1 10 . 1 1 11 11 VAL CB C 11 31.520 31.520 30.929 0.591 18713 6035 1 10 . 1 1 11 11 VAL H H 11 8.180 8.180 8.691 -0.511 18713 6036 1 10 . 1 1 12 12 LYS N N 12 121.880 121.880 119.728 2.152 18713 6037 1 10 . 1 1 12 12 LYS HA H 12 3.998 3.998 3.958 0.040 18713 6038 1 10 . 1 1 12 12 LYS C C 12 176.790 176.790 179.108 -2.318 18713 6039 1 10 . 1 1 12 12 LYS CA C 12 58.950 58.950 60.126 -1.176 18713 6040 1 10 . 1 1 12 12 LYS CB C 12 32.120 32.120 32.040 0.080 18713 6041 1 10 . 1 1 12 12 LYS H H 12 7.668 7.668 8.383 -0.715 18713 6042 1 10 . 1 1 13 13 GLU N N 13 118.250 118.250 119.659 -1.409 18713 6043 1 10 . 1 1 13 13 GLU HA H 13 4.085 4.085 3.917 0.168 18713 6044 1 10 . 1 1 13 13 GLU C C 13 179.280 179.280 178.884 0.396 18713 6045 1 10 . 1 1 13 13 GLU CA C 13 59.650 59.650 59.356 0.294 18713 6046 1 10 . 1 1 13 13 GLU CB C 13 29.770 29.770 29.552 0.218 18713 6047 1 10 . 1 1 13 13 GLU H H 13 8.149 8.149 8.096 0.053 18713 6048 1 10 . 1 1 14 14 VAL N N 14 117.450 117.450 119.657 -2.207 18713 6049 1 10 . 1 1 14 14 VAL HA H 14 4.007 4.007 3.459 0.548 18713 6050 1 10 . 1 1 14 14 VAL C C 14 178.350 178.350 177.939 0.411 18713 6051 1 10 . 1 1 14 14 VAL CA C 14 66.220 66.220 66.425 -0.205 18713 6052 1 10 . 1 1 14 14 VAL CB C 14 31.250 31.250 30.962 0.288 18713 6053 1 10 . 1 1 14 14 VAL H H 14 7.974 7.974 8.429 -0.455 18713 6054 1 10 . 1 1 15 15 THR N N 15 113.780 113.780 116.288 -2.508 18713 6055 1 10 . 1 1 15 15 THR HA H 15 3.771 3.771 3.645 0.126 18713 6056 1 10 . 1 1 15 15 THR C C 15 178.190 178.190 176.377 1.813 18713 6057 1 10 . 1 1 15 15 THR CA C 15 66.990 66.990 67.179 -0.189 18713 6058 1 10 . 1 1 15 15 THR CB C 15 68.590 68.590 68.285 0.305 18713 6059 1 10 . 1 1 15 15 THR H H 15 8.569 8.569 8.132 0.437 18713 6060 1 10 . 1 1 16 16 ASP N N 16 123.420 123.420 121.760 1.660 18713 6061 1 10 . 1 1 16 16 ASP HA H 16 4.545 4.545 4.382 0.163 18713 6062 1 10 . 1 1 16 16 ASP C C 16 178.450 178.450 177.913 0.537 18713 6063 1 10 . 1 1 16 16 ASP CA C 16 57.410 57.410 57.119 0.291 18713 6064 1 10 . 1 1 16 16 ASP CB C 16 39.880 39.880 39.911 -0.031 18713 6065 1 10 . 1 1 16 16 ASP H H 16 8.664 8.664 8.176 0.488 18713 6066 1 10 . 1 1 17 17 GLU N N 17 120.180 120.180 118.596 1.584 18713 6067 1 10 . 1 1 17 17 GLU HA H 17 4.089 4.089 4.044 0.045 18713 6068 1 10 . 1 1 17 17 GLU C C 17 178.220 178.220 179.782 -1.562 18713 6069 1 10 . 1 1 17 17 GLU CA C 17 59.050 59.050 58.972 0.078 18713 6070 1 10 . 1 1 17 17 GLU CB C 17 28.850 28.850 29.595 -0.745 18713 6071 1 10 . 1 1 17 17 GLU H H 17 7.705 7.705 7.454 0.251 18713 6072 1 10 . 1 1 18 18 PHE N N 18 117.450 117.450 118.313 -0.863 18713 6073 1 10 . 1 1 18 18 PHE HA H 18 4.396 4.396 4.514 -0.118 18713 6074 1 10 . 1 1 18 18 PHE C C 18 177.130 177.130 178.053 -0.923 18713 6075 1 10 . 1 1 18 18 PHE CA C 18 60.720 60.720 58.068 2.652 18713 6076 1 10 . 1 1 18 18 PHE CB C 18 39.880 39.880 38.346 1.534 18713 6077 1 10 . 1 1 18 18 PHE H H 18 7.911 7.911 7.394 0.517 18713 6078 1 10 . 1 1 19 19 THR N N 19 115.450 115.450 114.154 1.296 18713 6079 1 10 . 1 1 19 19 THR HA H 19 4.510 4.510 4.338 0.172 18713 6080 1 10 . 1 1 19 19 THR C C 19 175.160 175.160 174.884 0.276 18713 6081 1 10 . 1 1 19 19 THR CA C 19 63.880 63.880 63.187 0.693 18713 6082 1 10 . 1 1 19 19 THR CB C 19 69.450 69.450 68.559 0.891 18713 6083 1 10 . 1 1 19 19 THR H H 19 8.270 8.270 8.696 -0.426 18713 6084 1 10 . 1 1 20 20 THR N N 20 114.370 114.370 116.908 -2.538 18713 6085 1 10 . 1 1 20 20 THR HA H 20 4.262 4.262 4.080 0.182 18713 6086 1 10 . 1 1 20 20 THR C C 20 175.280 175.280 175.837 -0.557 18713 6087 1 10 . 1 1 20 20 THR CA C 20 63.850 63.850 65.024 -1.174 18713 6088 1 10 . 1 1 20 20 THR CB C 20 69.250 69.250 68.539 0.711 18713 6089 1 10 . 1 1 20 20 THR H H 20 7.974 7.974 7.447 0.527 18713 6090 1 10 . 1 1 21 21 LYS N N 21 119.710 119.710 121.588 -1.878 18713 6091 1 10 . 1 1 21 21 LYS HA H 21 4.291 4.291 4.272 0.019 18713 6092 1 10 . 1 1 21 21 LYS C C 21 176.070 176.070 176.317 -0.247 18713 6093 1 10 . 1 1 21 21 LYS CA C 21 57.180 57.180 56.431 0.749 18713 6094 1 10 . 1 1 21 21 LYS CB C 21 32.830 32.830 31.555 1.275 18713 6095 1 10 . 1 1 21 21 LYS H H 21 7.519 7.519 7.827 -0.308 18713 6096 1 10 . 1 1 22 22 ASP N N 22 119.020 119.020 121.687 -2.667 18713 6097 1 10 . 1 1 22 22 ASP HA H 22 4.730 4.730 4.694 0.036 18713 6098 1 10 . 1 1 22 22 ASP C C 22 175.080 175.080 176.406 -1.326 18713 6099 1 10 . 1 1 22 22 ASP CA C 22 53.770 53.770 53.077 0.694 18713 6100 1 10 . 1 1 22 22 ASP CB C 22 39.990 39.990 39.437 0.553 18713 6101 1 10 . 1 1 22 22 ASP H H 22 7.841 7.841 7.793 0.048 18713 6102 1 10 . 1 1 23 23 GLN N N 23 120.720 120.720 119.034 1.686 18713 6103 1 10 . 1 1 23 23 GLN HA H 23 4.425 4.425 4.094 0.331 18713 6104 1 10 . 1 1 23 23 GLN C C 23 175.860 175.860 176.998 -1.138 18713 6105 1 10 . 1 1 23 23 GLN CA C 23 57.530 57.530 57.969 -0.439 18713 6106 1 10 . 1 1 23 23 GLN CB C 23 29.050 29.050 28.871 0.179 18713 6107 1 10 . 1 1 23 23 GLN H H 23 8.313 8.313 8.546 -0.233 18713 6108 1 10 . 1 1 24 24 ASP N N 24 119.150 119.150 113.922 5.228 18713 6109 1 10 . 1 1 24 24 ASP HA H 24 4.655 4.655 4.737 -0.082 18713 6110 1 10 . 1 1 24 24 ASP C C 24 174.840 174.840 175.117 -0.277 18713 6111 1 10 . 1 1 24 24 ASP CA C 24 54.560 54.560 53.531 1.029 18713 6112 1 10 . 1 1 24 24 ASP CB C 24 41.290 41.290 42.853 -1.563 18713 6113 1 10 . 1 1 24 24 ASP H H 24 8.313 8.313 8.439 -0.126 18713 6114 1 10 . 1 1 25 25 LEU N N 25 121.240 121.240 121.796 -0.556 18713 6115 1 10 . 1 1 25 25 LEU HA H 25 4.602 4.602 4.209 0.393 18713 6116 1 10 . 1 1 25 25 LEU C C 25 176.550 176.550 176.714 -0.164 18713 6117 1 10 . 1 1 25 25 LEU CA C 25 55.060 55.060 55.733 -0.673 18713 6118 1 10 . 1 1 25 25 LEU CB C 25 43.520 43.520 42.739 0.781 18713 6119 1 10 . 1 1 25 25 LEU H H 25 7.572 7.572 7.755 -0.183 18713 6120 1 10 . 1 1 26 26 ARG N N 26 123.560 123.560 119.572 3.988 18713 6121 1 10 . 1 1 26 26 ARG HA H 26 4.787 4.787 4.666 0.121 18713 6122 1 10 . 1 1 26 26 ARG C C 26 174.040 174.040 174.311 -0.271 18713 6123 1 10 . 1 1 26 26 ARG CA C 26 54.010 54.010 55.004 -0.994 18713 6124 1 10 . 1 1 26 26 ARG CB C 26 33.170 33.170 33.338 -0.168 18713 6125 1 10 . 1 1 26 26 ARG H H 26 8.385 8.385 8.391 -0.006 18713 6126 1 10 . 1 1 27 27 TRP N N 27 121.230 121.230 125.461 -4.231 18713 6127 1 10 . 1 1 27 27 TRP HA H 27 4.608 4.608 4.883 -0.275 18713 6128 1 10 . 1 1 27 27 TRP C C 27 176.280 176.280 176.506 -0.226 18713 6129 1 10 . 1 1 27 27 TRP CA C 27 56.110 56.110 56.951 -0.841 18713 6130 1 10 . 1 1 27 27 TRP CB C 27 30.350 30.350 29.884 0.466 18713 6131 1 10 . 1 1 27 27 TRP H H 27 8.824 8.824 8.782 0.042 18713 6132 1 10 . 1 1 28 28 GLN N N 28 122.270 122.270 125.016 -2.746 18713 6133 1 10 . 1 1 28 28 GLN HA H 28 4.163 4.163 4.616 -0.453 18713 6134 1 10 . 1 1 28 28 GLN C C 28 176.280 176.280 177.259 -0.979 18713 6135 1 10 . 1 1 28 28 GLN CA C 28 56.850 56.850 54.460 2.390 18713 6136 1 10 . 1 1 28 28 GLN CB C 28 32.830 32.830 29.544 3.286 18713 6137 1 10 . 1 1 28 28 GLN H H 28 8.427 8.427 7.941 0.486 18713 6138 1 10 . 1 1 29 29 SER HA H 29 4.276 4.276 4.253 0.023 18713 6139 1 10 . 1 1 29 29 SER CA C 29 63.180 63.180 61.949 1.231 18713 6140 1 10 . 1 1 29 29 SER CB C 29 62.930 62.930 63.078 -0.148 18713 6141 1 10 . 1 1 30 30 MET HA H 30 4.430 4.430 4.159 0.271 18713 6142 1 10 . 1 1 30 30 MET C C 30 178.450 178.450 177.622 0.828 18713 6143 1 10 . 1 1 30 30 MET CA C 30 57.760 57.760 58.360 -0.600 18713 6144 1 10 . 1 1 30 30 MET CB C 30 32.120 32.120 32.192 -0.072 18713 6145 1 10 . 1 1 31 31 ALA N N 31 122.750 122.750 122.096 0.654 18713 6146 1 10 . 1 1 31 31 ALA HA H 31 4.015 4.015 3.920 0.095 18713 6147 1 10 . 1 1 31 31 ALA C C 31 178.090 178.090 179.604 -1.514 18713 6148 1 10 . 1 1 31 31 ALA CA C 31 55.430 55.430 55.018 0.412 18713 6149 1 10 . 1 1 31 31 ALA CB C 31 18.590 18.590 17.619 0.971 18713 6150 1 10 . 1 1 31 31 ALA H H 31 7.619 7.619 7.733 -0.114 18713 6151 1 10 . 1 1 32 32 ILE N N 32 117.950 117.950 118.512 -0.562 18713 6152 1 10 . 1 1 32 32 ILE HA H 32 3.691 3.691 3.775 -0.084 18713 6153 1 10 . 1 1 32 32 ILE C C 32 178.410 178.410 177.799 0.611 18713 6154 1 10 . 1 1 32 32 ILE CA C 32 63.290 63.290 64.741 -1.451 18713 6155 1 10 . 1 1 32 32 ILE CB C 32 36.120 36.120 37.939 -1.819 18713 6156 1 10 . 1 1 32 32 ILE H H 32 7.503 7.503 7.452 0.051 18713 6157 1 10 . 1 1 33 33 MET N N 33 118.790 118.790 118.828 -0.038 18713 6158 1 10 . 1 1 33 33 MET HA H 33 4.269 4.269 4.152 0.117 18713 6159 1 10 . 1 1 33 33 MET C C 33 177.970 177.970 178.573 -0.603 18713 6160 1 10 . 1 1 33 33 MET CA C 33 57.670 57.670 57.373 0.297 18713 6161 1 10 . 1 1 33 33 MET CB C 33 32.040 32.040 31.068 0.972 18713 6162 1 10 . 1 1 33 33 MET H H 33 8.034 8.034 7.759 0.275 18713 6163 1 10 . 1 1 34 34 ALA N N 34 122.470 122.470 122.391 0.079 18713 6164 1 10 . 1 1 34 34 ALA HA H 34 3.944 3.944 4.076 -0.132 18713 6165 1 10 . 1 1 34 34 ALA C C 34 179.680 179.680 179.454 0.226 18713 6166 1 10 . 1 1 34 34 ALA CA C 34 55.290 55.290 55.582 -0.292 18713 6167 1 10 . 1 1 34 34 ALA CB C 34 17.050 17.050 18.036 -0.986 18713 6168 1 10 . 1 1 34 34 ALA H H 34 8.007 8.007 8.605 -0.598 18713 6169 1 10 . 1 1 35 35 LEU N N 35 118.310 118.310 118.554 -0.244 18713 6170 1 10 . 1 1 35 35 LEU HA H 35 3.945 3.945 4.000 -0.055 18713 6171 1 10 . 1 1 35 35 LEU C C 35 179.630 179.630 179.197 0.433 18713 6172 1 10 . 1 1 35 35 LEU CA C 35 57.880 57.880 57.838 0.042 18713 6173 1 10 . 1 1 35 35 LEU CB C 35 42.710 42.710 41.560 1.150 18713 6174 1 10 . 1 1 35 35 LEU H H 35 8.003 8.003 7.336 0.667 18713 6175 1 10 . 1 1 36 36 GLN N N 36 122.480 122.480 118.179 4.301 18713 6176 1 10 . 1 1 36 36 GLN HA H 36 3.718 3.718 4.083 -0.365 18713 6177 1 10 . 1 1 36 36 GLN C C 36 177.850 177.850 179.076 -1.226 18713 6178 1 10 . 1 1 36 36 GLN CA C 36 60.150 60.150 58.821 1.329 18713 6179 1 10 . 1 1 36 36 GLN CB C 36 28.150 28.150 28.113 0.037 18713 6180 1 10 . 1 1 36 36 GLN H H 36 8.532 8.532 7.974 0.558 18713 6181 1 10 . 1 1 37 37 GLU N N 37 120.790 120.790 119.587 1.203 18713 6182 1 10 . 1 1 37 37 GLU HA H 37 4.043 4.043 4.132 -0.089 18713 6183 1 10 . 1 1 37 37 GLU C C 37 179.190 179.190 178.843 0.347 18713 6184 1 10 . 1 1 37 37 GLU CA C 37 59.650 59.650 58.888 0.762 18713 6185 1 10 . 1 1 37 37 GLU CB C 37 28.120 28.120 29.292 -1.172 18713 6186 1 10 . 1 1 37 37 GLU H H 37 8.562 8.562 8.459 0.103 18713 6187 1 10 . 1 1 38 38 ALA N N 38 121.430 121.430 123.418 -1.988 18713 6188 1 10 . 1 1 38 38 ALA HA H 38 4.228 4.228 4.010 0.218 18713 6189 1 10 . 1 1 38 38 ALA C C 38 179.740 179.740 180.149 -0.409 18713 6190 1 10 . 1 1 38 38 ALA CA C 38 54.550 54.550 55.439 -0.889 18713 6191 1 10 . 1 1 38 38 ALA CB C 38 19.050 19.050 18.280 0.770 18713 6192 1 10 . 1 1 38 38 ALA H H 38 8.626 8.626 8.456 0.170 18713 6193 1 10 . 1 1 39 39 SER N N 39 115.350 115.350 114.437 0.913 18713 6194 1 10 . 1 1 39 39 SER HA H 39 4.159 4.159 4.241 -0.082 18713 6195 1 10 . 1 1 39 39 SER C C 39 174.490 174.490 177.025 -2.535 18713 6196 1 10 . 1 1 39 39 SER CA C 39 62.550 62.550 62.000 0.550 18713 6197 1 10 . 1 1 39 39 SER CB C 39 64.580 64.580 63.083 1.497 18713 6198 1 10 . 1 1 39 39 SER H H 39 8.160 8.160 8.077 0.083 18713 6199 1 10 . 1 1 40 40 GLU N N 40 123.380 123.380 122.503 0.877 18713 6200 1 10 . 1 1 40 40 GLU HA H 40 3.545 3.545 4.134 -0.589 18713 6201 1 10 . 1 1 40 40 GLU C C 40 177.080 177.080 178.534 -1.454 18713 6202 1 10 . 1 1 40 40 GLU CA C 40 59.890 59.890 59.072 0.818 18713 6203 1 10 . 1 1 40 40 GLU CB C 40 28.150 28.150 29.256 -1.106 18713 6204 1 10 . 1 1 40 40 GLU H H 40 7.632 7.632 8.011 -0.379 18713 6205 1 10 . 1 1 41 41 ALA N N 41 120.090 120.090 121.820 -1.730 18713 6206 1 10 . 1 1 41 41 ALA HA H 41 4.007 4.007 4.090 -0.083 18713 6207 1 10 . 1 1 41 41 ALA C C 41 180.370 180.370 179.574 0.796 18713 6208 1 10 . 1 1 41 41 ALA CA C 41 54.930 54.930 54.902 0.028 18713 6209 1 10 . 1 1 41 41 ALA CB C 41 18.150 18.150 18.041 0.109 18713 6210 1 10 . 1 1 41 41 ALA H H 41 7.860 7.860 8.587 -0.727 18713 6211 1 10 . 1 1 42 42 TYR N N 42 120.400 120.400 120.119 0.281 18713 6212 1 10 . 1 1 42 42 TYR HA H 42 3.970 3.970 4.066 -0.096 18713 6213 1 10 . 1 1 42 42 TYR C C 42 177.220 177.220 177.830 -0.610 18713 6214 1 10 . 1 1 42 42 TYR CA C 42 60.350 60.350 62.169 -1.819 18713 6215 1 10 . 1 1 42 42 TYR CB C 42 38.450 38.450 38.545 -0.095 18713 6216 1 10 . 1 1 42 42 TYR H H 42 8.266 8.266 8.078 0.188 18713 6217 1 10 . 1 1 43 43 LEU N N 43 119.630 119.630 119.247 0.383 18713 6218 1 10 . 1 1 43 43 LEU HA H 43 3.812 3.812 3.889 -0.077 18713 6219 1 10 . 1 1 43 43 LEU C C 43 177.790 177.790 178.770 -0.980 18713 6220 1 10 . 1 1 43 43 LEU CA C 43 57.530 57.530 58.210 -0.680 18713 6221 1 10 . 1 1 43 43 LEU CB C 43 41.990 41.990 41.784 0.206 18713 6222 1 10 . 1 1 43 43 LEU H H 43 8.080 8.080 8.087 -0.007 18713 6223 1 10 . 1 1 44 44 VAL N N 44 118.320 118.320 119.281 -0.961 18713 6224 1 10 . 1 1 44 44 VAL HA H 44 3.450 3.450 3.603 -0.153 18713 6225 1 10 . 1 1 44 44 VAL C C 44 177.960 177.960 178.200 -0.240 18713 6226 1 10 . 1 1 44 44 VAL CA C 44 67.150 67.150 66.864 0.286 18713 6227 1 10 . 1 1 44 44 VAL CB C 44 31.250 31.250 30.897 0.353 18713 6228 1 10 . 1 1 44 44 VAL H H 44 8.415 8.415 8.265 0.150 18713 6229 1 10 . 1 1 45 45 GLY N N 45 106.020 106.020 107.617 -1.597 18713 6230 1 10 . 1 1 45 45 GLY C C 45 176.070 176.070 175.895 0.175 18713 6231 1 10 . 1 1 45 45 GLY CA C 45 47.410 47.410 47.045 0.364 18713 6232 1 10 . 1 1 45 45 GLY H H 45 7.747 7.747 8.171 -0.424 18713 6233 1 10 . 1 1 46 46 LEU N N 46 122.340 122.340 123.988 -1.648 18713 6234 1 10 . 1 1 46 46 LEU HA H 46 4.002 4.002 4.113 -0.111 18713 6235 1 10 . 1 1 46 46 LEU C C 46 179.520 179.520 178.389 1.131 18713 6236 1 10 . 1 1 46 46 LEU CA C 46 57.410 57.410 57.550 -0.140 18713 6237 1 10 . 1 1 46 46 LEU CB C 46 42.350 42.350 41.916 0.434 18713 6238 1 10 . 1 1 46 46 LEU H H 46 7.802 7.802 7.852 -0.050 18713 6239 1 10 . 1 1 47 47 LEU N N 47 118.450 118.450 120.869 -2.419 18713 6240 1 10 . 1 1 47 47 LEU HA H 47 4.169 4.169 4.080 0.089 18713 6241 1 10 . 1 1 47 47 LEU C C 47 178.210 178.210 178.858 -0.648 18713 6242 1 10 . 1 1 47 47 LEU CA C 47 56.950 56.950 57.930 -0.980 18713 6243 1 10 . 1 1 47 47 LEU CB C 47 41.850 41.850 41.436 0.414 18713 6244 1 10 . 1 1 47 47 LEU H H 47 8.082 8.082 8.653 -0.571 18713 6245 1 10 . 1 1 48 48 GLU N N 48 116.980 116.980 117.176 -0.196 18713 6246 1 10 . 1 1 48 48 GLU HA H 48 4.142 4.142 3.930 0.212 18713 6247 1 10 . 1 1 48 48 GLU C C 48 177.120 177.120 179.665 -2.545 18713 6248 1 10 . 1 1 48 48 GLU CA C 48 57.450 57.450 59.231 -1.781 18713 6249 1 10 . 1 1 48 48 GLU CB C 48 30.010 30.010 28.993 1.017 18713 6250 1 10 . 1 1 48 48 GLU H H 48 7.870 7.870 8.406 -0.536 18713 6251 1 10 . 1 1 49 49 HIS N N 49 114.660 114.660 118.728 -4.068 18713 6252 1 10 . 1 1 49 49 HIS HA H 49 4.878 4.878 4.458 0.420 18713 6253 1 10 . 1 1 49 49 HIS C C 49 174.070 174.070 177.831 -3.761 18713 6254 1 10 . 1 1 49 49 HIS CA C 49 55.760 55.760 58.842 -3.082 18713 6255 1 10 . 1 1 49 49 HIS CB C 49 29.880 29.880 29.699 0.181 18713 6256 1 10 . 1 1 49 49 HIS H H 49 7.833 7.833 8.112 -0.279 18713 6257 1 10 . 1 1 50 50 THR N N 50 113.050 113.050 111.789 1.261 18713 6258 1 10 . 1 1 50 50 THR HA H 50 4.571 4.571 4.096 0.475 18713 6259 1 10 . 1 1 50 50 THR C C 50 173.390 173.390 176.516 -3.126 18713 6260 1 10 . 1 1 50 50 THR CA C 50 61.880 61.880 64.700 -2.820 18713 6261 1 10 . 1 1 50 50 THR CB C 50 70.350 70.350 68.608 1.742 18713 6262 1 10 . 1 1 50 50 THR H H 50 7.871 7.871 8.530 -0.659 18713 6263 1 10 . 1 1 51 51 ASN N N 51 119.760 119.760 121.165 -1.405 18713 6264 1 10 . 1 1 51 51 ASN HA H 51 4.868 4.868 4.497 0.371 18713 6265 1 10 . 1 1 51 51 ASN C C 51 175.440 175.440 177.152 -1.712 18713 6266 1 10 . 1 1 51 51 ASN CA C 51 52.870 52.870 55.796 -2.926 18713 6267 1 10 . 1 1 51 51 ASN CB C 51 38.470 38.470 38.392 0.077 18713 6268 1 10 . 1 1 51 51 ASN H H 51 8.477 8.477 7.630 0.847 18713 6269 1 10 . 1 1 52 52 LEU N N 52 121.360 121.360 119.802 1.558 18713 6270 1 10 . 1 1 52 52 LEU HA H 52 4.144 4.144 4.067 0.077 18713 6271 1 10 . 1 1 52 52 LEU C C 52 177.440 177.440 178.665 -1.225 18713 6272 1 10 . 1 1 52 52 LEU CA C 52 56.880 56.880 57.123 -0.243 18713 6273 1 10 . 1 1 52 52 LEU CB C 52 42.240 42.240 41.782 0.458 18713 6274 1 10 . 1 1 52 52 LEU H H 52 8.089 8.089 7.601 0.488 18713 6275 1 10 . 1 1 53 53 LEU N N 53 119.350 119.350 119.722 -0.372 18713 6276 1 10 . 1 1 53 53 LEU HA H 53 4.255 4.255 4.016 0.239 18713 6277 1 10 . 1 1 53 53 LEU C C 53 177.360 177.360 177.980 -0.620 18713 6278 1 10 . 1 1 53 53 LEU CA C 53 56.010 56.010 57.136 -1.126 18713 6279 1 10 . 1 1 53 53 LEU CB C 53 41.770 41.770 41.118 0.652 18713 6280 1 10 . 1 1 53 53 LEU H H 53 8.165 8.165 7.740 0.425 18713 6281 1 10 . 1 1 54 54 ALA N N 54 122.310 122.310 120.421 1.889 18713 6282 1 10 . 1 1 54 54 ALA HA H 54 4.222 4.222 4.152 0.070 18713 6283 1 10 . 1 1 54 54 ALA C C 54 177.620 177.620 178.598 -0.978 18713 6284 1 10 . 1 1 54 54 ALA CA C 54 53.250 53.250 53.497 -0.247 18713 6285 1 10 . 1 1 54 54 ALA CB C 54 18.820 18.820 18.470 0.350 18713 6286 1 10 . 1 1 54 54 ALA H H 54 7.969 7.969 7.678 0.291 18713 6287 1 10 . 1 1 55 55 LEU N N 55 117.930 117.930 118.310 -0.380 18713 6288 1 10 . 1 1 55 55 LEU HA H 55 4.233 4.233 4.180 0.053 18713 6289 1 10 . 1 1 55 55 LEU C C 55 176.740 176.740 177.098 -0.358 18713 6290 1 10 . 1 1 55 55 LEU CA C 55 55.420 55.420 55.160 0.260 18713 6291 1 10 . 1 1 55 55 LEU CB C 55 42.350 42.350 41.250 1.100 18713 6292 1 10 . 1 1 55 55 LEU H H 55 7.696 7.696 7.597 0.099 18713 6293 1 10 . 1 1 56 56 HIS N N 56 117.120 117.120 114.276 2.844 18713 6294 1 10 . 1 1 56 56 HIS HA H 56 4.665 4.665 4.225 0.440 18713 6295 1 10 . 1 1 56 56 HIS C C 56 174.150 174.150 173.876 0.274 18713 6296 1 10 . 1 1 56 56 HIS CA C 56 55.420 55.420 56.196 -0.776 18713 6297 1 10 . 1 1 56 56 HIS CB C 56 29.250 29.250 28.366 0.884 18713 6298 1 10 . 1 1 56 56 HIS H H 56 8.196 8.196 7.897 0.299 18713 6299 1 10 . 1 1 57 57 LEU N N 57 120.690 120.690 120.450 0.240 18713 6300 1 10 . 1 1 57 57 LEU HA H 57 4.414 4.414 4.549 -0.135 18713 6301 1 10 . 1 1 57 57 LEU C C 57 175.760 175.760 176.617 -0.857 18713 6302 1 10 . 1 1 57 57 LEU CA C 57 55.410 55.410 54.782 0.628 18713 6303 1 10 . 1 1 57 57 LEU CB C 57 42.470 42.470 43.277 -0.807 18713 6304 1 10 . 1 1 57 57 LEU H H 57 7.989 7.989 7.989 -0.000 18713 6305 1 10 . 1 1 58 58 VAL N N 58 119.740 119.740 122.138 -2.398 18713 6306 1 10 . 1 1 58 58 VAL HA H 58 4.485 4.485 4.556 -0.071 18713 6307 1 10 . 1 1 58 58 VAL C C 58 173.880 173.880 174.113 -0.233 18713 6308 1 10 . 1 1 58 58 VAL CA C 58 59.520 59.520 58.779 0.741 18713 6309 1 10 . 1 1 58 58 VAL CB C 58 32.710 32.710 33.409 -0.699 18713 6310 1 10 . 1 1 58 58 VAL H H 58 7.848 7.848 8.299 -0.451 18713 6311 1 10 . 1 1 59 59 PRO HA H 59 4.449 4.449 4.498 -0.049 18713 6312 1 10 . 1 1 59 59 PRO C C 59 174.250 174.250 176.538 -2.288 18713 6313 1 10 . 1 1 59 59 PRO CA C 59 63.200 63.200 63.118 0.082 18713 6314 1 10 . 1 1 59 59 PRO CB C 59 32.120 32.120 32.123 -0.003 18713 6315 1 10 . 1 1 60 60 ARG N N 60 121.450 121.450 125.193 -3.743 18713 6316 1 10 . 1 1 60 60 ARG HA H 60 4.335 4.335 4.475 -0.140 18713 6317 1 10 . 1 1 60 60 ARG C C 60 176.620 176.620 176.905 -0.285 18713 6318 1 10 . 1 1 60 60 ARG CA C 60 56.460 56.460 55.558 0.902 18713 6319 1 10 . 1 1 60 60 ARG CB C 60 30.720 30.720 28.967 1.753 18713 6320 1 10 . 1 1 60 60 ARG H H 60 8.397 8.397 8.583 -0.186 18713 6321 1 10 . 1 1 61 61 GLY N N 61 110.770 110.770 108.814 1.956 18713 6322 1 10 . 1 1 61 61 GLY C C 61 174.090 174.090 174.116 -0.026 18713 6323 1 10 . 1 1 61 61 GLY CA C 61 45.650 45.650 44.990 0.660 18713 6324 1 10 . 1 1 61 61 GLY H H 61 8.541 8.541 7.828 0.713 18713 6325 1 10 . 1 1 62 62 SER N N 62 115.890 115.890 114.174 1.716 18713 6326 1 10 . 1 1 62 62 SER HA H 62 4.470 4.470 4.648 -0.178 18713 6327 1 10 . 1 1 62 62 SER C C 62 174.270 174.270 173.452 0.818 18713 6328 1 10 . 1 1 62 62 SER CA C 62 58.750 58.750 56.954 1.796 18713 6329 1 10 . 1 1 62 62 SER CB C 62 64.100 64.100 64.392 -0.292 18713 6330 1 10 . 1 1 62 62 SER H H 62 8.145 8.145 7.307 0.838 18713 6331 1 10 . 1 1 63 63 LYS N N 63 122.680 122.680 118.798 3.882 18713 6332 1 10 . 1 1 63 63 LYS HA H 63 4.372 4.372 4.057 0.315 18713 6333 1 10 . 1 1 63 63 LYS C C 63 175.950 175.950 177.258 -1.308 18713 6334 1 10 . 1 1 63 63 LYS CA C 63 56.120 56.120 57.418 -1.298 18713 6335 1 10 . 1 1 63 63 LYS CB C 63 32.830 32.830 30.586 2.244 18713 6336 1 10 . 1 1 63 63 LYS H H 63 8.336 8.336 8.681 -0.345 18713 6337 1 10 . 1 1 64 64 ARG N N 64 120.930 120.930 116.003 4.927 18713 6338 1 10 . 1 1 64 64 ARG HA H 64 4.395 4.395 3.864 0.531 18713 6339 1 10 . 1 1 64 64 ARG C C 64 175.550 175.550 176.213 -0.663 18713 6340 1 10 . 1 1 64 64 ARG CA C 64 56.350 56.350 58.748 -2.398 18713 6341 1 10 . 1 1 64 64 ARG CB C 64 30.950 30.950 30.010 0.940 18713 6342 1 10 . 1 1 64 64 ARG H H 64 8.187 8.187 8.673 -0.486 18713 6343 1 10 . 1 1 65 65 ILE N N 65 121.120 121.120 116.152 4.968 18713 6344 1 10 . 1 1 65 65 ILE HA H 65 4.255 4.255 3.747 0.508 18713 6345 1 10 . 1 1 65 65 ILE C C 65 175.880 175.880 175.121 0.759 18713 6346 1 10 . 1 1 65 65 ILE CA C 65 61.170 61.170 62.903 -1.733 18713 6347 1 10 . 1 1 65 65 ILE CB C 65 38.820 38.820 37.440 1.380 18713 6348 1 10 . 1 1 65 65 ILE H H 65 8.165 8.165 8.489 -0.324 18713 6349 1 10 . 1 1 66 66 SER N N 66 120.720 120.720 110.561 10.159 18713 6350 1 10 . 1 1 66 66 SER HA H 66 4.511 4.511 4.182 0.329 18713 6351 1 10 . 1 1 66 66 SER C C 66 174.490 174.490 174.103 0.387 18713 6352 1 10 . 1 1 66 66 SER CA C 66 58.580 58.580 59.534 -0.954 18713 6353 1 10 . 1 1 66 66 SER CB C 66 64.110 64.110 62.093 2.017 18713 6354 1 10 . 1 1 66 66 SER H H 66 8.346 8.346 8.416 -0.070 18713 6355 1 10 . 1 1 67 67 GLY N N 67 110.050 110.050 107.570 2.480 18713 6356 1 10 . 1 1 67 67 GLY C C 67 175.840 175.840 172.921 2.919 18713 6357 1 10 . 1 1 67 67 GLY CA C 67 45.480 45.480 44.501 0.979 18713 6358 1 10 . 1 1 67 67 GLY H H 67 8.275 8.275 7.441 0.834 18713 6359 1 10 . 1 1 68 68 LEU N N 68 120.990 120.990 125.918 -4.928 18713 6360 1 10 . 1 1 68 68 LEU HA H 68 4.492 4.492 4.725 -0.233 18713 6361 1 10 . 1 1 68 68 LEU C C 68 177.450 177.450 177.179 0.271 18713 6362 1 10 . 1 1 68 68 LEU CA C 68 55.410 55.410 53.877 1.533 18713 6363 1 10 . 1 1 68 68 LEU CB C 68 42.710 42.710 41.932 0.778 18713 6364 1 10 . 1 1 68 68 LEU H H 68 8.057 8.057 8.600 -0.543 18713 6365 1 10 . 1 1 70 70 TYR HA H 70 4.039 4.039 4.171 -0.132 18713 6366 1 10 . 1 1 70 70 TYR CA C 70 61.650 61.650 62.135 -0.485 18713 6367 1 10 . 1 1 70 70 TYR CB C 70 38.250 38.250 37.537 0.713 18713 6368 1 10 . 1 1 71 71 GLU N N 71 117.580 117.580 119.824 -2.244 18713 6369 1 10 . 1 1 71 71 GLU HA H 71 4.173 4.173 3.998 0.175 18713 6370 1 10 . 1 1 71 71 GLU CA C 71 60.120 60.120 60.183 -0.063 18713 6371 1 10 . 1 1 71 71 GLU CB C 71 29.080 29.080 29.185 -0.105 18713 6372 1 10 . 1 1 71 71 GLU H H 71 8.999 8.999 8.792 0.207 18713 6373 1 10 . 1 1 72 72 GLU N N 72 119.620 119.620 119.873 -0.253 18713 6374 1 10 . 1 1 72 72 GLU HA H 72 4.165 4.165 4.059 0.106 18713 6375 1 10 . 1 1 72 72 GLU C C 72 178.090 178.090 179.460 -1.370 18713 6376 1 10 . 1 1 72 72 GLU CA C 72 58.350 58.350 59.375 -1.025 18713 6377 1 10 . 1 1 72 72 GLU CB C 72 29.880 29.880 29.789 0.091 18713 6378 1 10 . 1 1 72 72 GLU H H 72 7.760 7.760 7.780 -0.020 18713 6379 1 10 . 1 1 73 73 VAL N N 73 117.510 117.510 119.926 -2.416 18713 6380 1 10 . 1 1 73 73 VAL HA H 73 3.757 3.757 3.717 0.040 18713 6381 1 10 . 1 1 73 73 VAL C C 73 176.620 176.620 178.146 -1.526 18713 6382 1 10 . 1 1 73 73 VAL CA C 73 65.450 65.450 66.573 -1.123 18713 6383 1 10 . 1 1 73 73 VAL CB C 73 31.540 31.540 31.735 -0.195 18713 6384 1 10 . 1 1 73 73 VAL H H 73 7.869 7.869 8.245 -0.376 18713 6385 1 10 . 1 1 74 74 ARG N N 74 120.440 120.440 120.221 0.219 18713 6386 1 10 . 1 1 74 74 ARG HA H 74 3.649 3.649 3.962 -0.313 18713 6387 1 10 . 1 1 74 74 ARG C C 74 176.860 176.860 178.396 -1.536 18713 6388 1 10 . 1 1 74 74 ARG CA C 74 59.950 59.950 59.763 0.187 18713 6389 1 10 . 1 1 74 74 ARG CB C 74 30.070 30.070 30.200 -0.130 18713 6390 1 10 . 1 1 74 74 ARG H H 74 8.335 8.335 8.476 -0.141 18713 6391 1 10 . 1 1 75 75 ALA N N 75 119.490 119.490 121.319 -1.829 18713 6392 1 10 . 1 1 75 75 ALA HA H 75 4.157 4.157 4.171 -0.014 18713 6393 1 10 . 1 1 75 75 ALA C C 75 180.380 180.380 179.948 0.432 18713 6394 1 10 . 1 1 75 75 ALA CA C 75 55.540 55.540 55.021 0.519 18713 6395 1 10 . 1 1 75 75 ALA CB C 75 18.320 18.320 18.298 0.022 18713 6396 1 10 . 1 1 75 75 ALA H H 75 7.725 7.725 8.512 -0.787 18713 6397 1 10 . 1 1 76 76 VAL N N 76 116.910 116.910 119.623 -2.713 18713 6398 1 10 . 1 1 76 76 VAL HA H 76 4.125 4.125 3.752 0.373 18713 6399 1 10 . 1 1 76 76 VAL C C 76 178.340 178.340 177.842 0.498 18713 6400 1 10 . 1 1 76 76 VAL CA C 76 64.950 64.950 66.590 -1.640 18713 6401 1 10 . 1 1 76 76 VAL CB C 76 31.820 31.820 31.716 0.104 18713 6402 1 10 . 1 1 76 76 VAL H H 76 7.814 7.814 7.950 -0.136 18713 6403 1 10 . 1 1 77 77 LEU N N 77 121.020 121.020 120.136 0.884 18713 6404 1 10 . 1 1 77 77 LEU HA H 77 4.425 4.425 3.902 0.523 18713 6405 1 10 . 1 1 77 77 LEU C C 77 177.930 177.930 178.577 -0.647 18713 6406 1 10 . 1 1 77 77 LEU CA C 77 57.250 57.250 58.243 -0.994 18713 6407 1 10 . 1 1 77 77 LEU CB C 77 43.010 43.010 41.251 1.759 18713 6408 1 10 . 1 1 77 77 LEU H H 77 8.389 8.389 8.254 0.135 18713 6409 1 10 . 1 1 78 78 LYS N N 78 120.530 120.530 120.420 0.110 18713 6410 1 10 . 1 1 78 78 LYS HA H 78 3.907 3.907 4.033 -0.126 18713 6411 1 10 . 1 1 78 78 LYS C C 78 177.320 177.320 178.432 -1.112 18713 6412 1 10 . 1 1 78 78 LYS CA C 78 61.350 61.350 60.591 0.759 18713 6413 1 10 . 1 1 78 78 LYS CB C 78 32.450 32.450 32.119 0.331 18713 6414 1 10 . 1 1 78 78 LYS H H 78 8.757 8.757 8.476 0.281 18713 6415 1 10 . 1 1 79 79 SER N N 79 113.040 113.040 115.088 -2.048 18713 6416 1 10 . 1 1 79 79 SER HA H 79 4.270 4.270 4.118 0.152 18713 6417 1 10 . 1 1 79 79 SER C C 79 177.320 177.320 176.467 0.853 18713 6418 1 10 . 1 1 79 79 SER CA C 79 62.250 62.250 61.751 0.499 18713 6419 1 10 . 1 1 79 79 SER CB C 79 63.050 63.050 62.992 0.058 18713 6420 1 10 . 1 1 79 79 SER H H 79 8.055 8.055 7.886 0.169 18713 6421 1 10 . 1 1 80 80 PHE N N 80 123.520 123.520 123.122 0.398 18713 6422 1 10 . 1 1 80 80 PHE HA H 80 4.255 4.255 4.169 0.086 18713 6423 1 10 . 1 1 80 80 PHE C C 80 176.480 176.480 176.950 -0.470 18713 6424 1 10 . 1 1 80 80 PHE CA C 80 60.650 60.650 61.250 -0.600 18713 6425 1 10 . 1 1 80 80 PHE CB C 80 39.450 39.450 38.937 0.513 18713 6426 1 10 . 1 1 80 80 PHE H H 80 7.734 7.734 8.010 -0.276 18713 6427 1 10 . 1 1 81 81 LEU N N 81 119.370 119.370 119.820 -0.450 18713 6428 1 10 . 1 1 81 81 LEU HA H 81 3.558 3.558 3.364 0.194 18713 6429 1 10 . 1 1 81 81 LEU C C 81 178.280 178.280 179.044 -0.764 18713 6430 1 10 . 1 1 81 81 LEU CA C 81 57.650 57.650 58.232 -0.582 18713 6431 1 10 . 1 1 81 81 LEU CB C 81 42.750 42.750 41.478 1.272 18713 6432 1 10 . 1 1 81 81 LEU H H 81 8.693 8.693 9.021 -0.328 18713 6433 1 10 . 1 1 82 82 GLU N N 82 118.350 118.350 118.796 -0.446 18713 6434 1 10 . 1 1 82 82 GLU HA H 82 3.785 3.785 3.908 -0.123 18713 6435 1 10 . 1 1 82 82 GLU C C 82 177.870 177.870 179.213 -1.343 18713 6436 1 10 . 1 1 82 82 GLU CA C 82 60.550 60.550 59.504 1.046 18713 6437 1 10 . 1 1 82 82 GLU CB C 82 29.280 29.280 29.009 0.271 18713 6438 1 10 . 1 1 82 82 GLU H H 82 8.869 8.869 8.742 0.127 18713 6439 1 10 . 1 1 83 83 SER N N 83 113.610 113.610 115.046 -1.436 18713 6440 1 10 . 1 1 83 83 SER HA H 83 4.165 4.165 4.183 -0.018 18713 6441 1 10 . 1 1 83 83 SER C C 83 177.830 177.830 176.602 1.228 18713 6442 1 10 . 1 1 83 83 SER CA C 83 61.150 61.150 61.258 -0.108 18713 6443 1 10 . 1 1 83 83 SER CB C 83 62.750 62.750 62.721 0.029 18713 6444 1 10 . 1 1 83 83 SER H H 83 7.474 7.474 8.304 -0.830 18713 6445 1 10 . 1 1 84 84 VAL N N 84 121.040 121.040 122.066 -1.026 18713 6446 1 10 . 1 1 84 84 VAL HA H 84 3.660 3.660 3.594 0.066 18713 6447 1 10 . 1 1 84 84 VAL C C 84 179.270 179.270 178.052 1.218 18713 6448 1 10 . 1 1 84 84 VAL CA C 84 65.750 65.750 66.666 -0.916 18713 6449 1 10 . 1 1 84 84 VAL CB C 84 32.030 32.030 30.953 1.077 18713 6450 1 10 . 1 1 84 84 VAL H H 84 7.668 7.668 8.011 -0.343 18713 6451 1 10 . 1 1 85 85 ILE N N 85 123.350 123.350 119.778 3.572 18713 6452 1 10 . 1 1 85 85 ILE HA H 85 3.537 3.537 3.562 -0.025 18713 6453 1 10 . 1 1 85 85 ILE C C 85 176.550 176.550 177.995 -1.445 18713 6454 1 10 . 1 1 85 85 ILE CA C 85 66.710 66.710 65.631 1.079 18713 6455 1 10 . 1 1 85 85 ILE CB C 85 36.210 36.210 37.440 -1.230 18713 6456 1 10 . 1 1 85 85 ILE H H 85 9.086 9.086 7.962 1.124 18713 6457 1 10 . 1 1 86 86 ARG N N 86 120.150 120.150 119.582 0.568 18713 6458 1 10 . 1 1 86 86 ARG HA H 86 3.802 3.802 3.884 -0.082 18713 6459 1 10 . 1 1 86 86 ARG C C 86 178.920 178.920 178.261 0.659 18713 6460 1 10 . 1 1 86 86 ARG CA C 86 59.980 59.980 60.131 -0.151 18713 6461 1 10 . 1 1 86 86 ARG CB C 86 29.650 29.650 30.028 -0.378 18713 6462 1 10 . 1 1 86 86 ARG H H 86 8.125 8.125 7.748 0.377 18713 6463 1 10 . 1 1 87 87 ASP N N 87 118.810 118.810 118.123 0.687 18713 6464 1 10 . 1 1 87 87 ASP HA H 87 4.537 4.537 4.516 0.021 18713 6465 1 10 . 1 1 87 87 ASP C C 87 178.050 178.050 179.171 -1.121 18713 6466 1 10 . 1 1 87 87 ASP CA C 87 57.140 57.140 56.955 0.185 18713 6467 1 10 . 1 1 87 87 ASP CB C 87 40.520 40.520 40.308 0.212 18713 6468 1 10 . 1 1 87 87 ASP H H 87 7.668 7.668 8.278 -0.610 18713 6469 1 10 . 1 1 88 88 SER N N 88 119.350 119.350 117.307 2.043 18713 6470 1 10 . 1 1 88 88 SER HA H 88 4.166 4.166 4.772 -0.606 18713 6471 1 10 . 1 1 88 88 SER C C 88 175.350 175.350 176.780 -1.430 18713 6472 1 10 . 1 1 88 88 SER CA C 88 57.170 57.170 62.255 -5.085 18713 6473 1 10 . 1 1 88 88 SER CB C 88 64.050 64.050 63.416 0.634 18713 6474 1 10 . 1 1 88 88 SER H H 88 8.506 8.506 8.338 0.168 18713 6475 1 10 . 1 1 89 89 VAL N N 89 121.240 121.240 122.468 -1.228 18713 6476 1 10 . 1 1 89 89 VAL HA H 89 3.611 3.611 3.988 -0.377 18713 6477 1 10 . 1 1 89 89 VAL C C 89 177.440 177.440 178.497 -1.057 18713 6478 1 10 . 1 1 89 89 VAL CA C 89 65.990 65.990 66.344 -0.354 18713 6479 1 10 . 1 1 89 89 VAL CB C 89 31.240 31.240 31.487 -0.247 18713 6480 1 10 . 1 1 89 89 VAL H H 89 8.505 8.505 8.844 -0.339 18713 6481 1 10 . 1 1 90 90 THR N N 90 117.040 117.040 117.649 -0.609 18713 6482 1 10 . 1 1 90 90 THR HA H 90 4.013 4.013 3.972 0.041 18713 6483 1 10 . 1 1 90 90 THR C C 90 177.410 177.410 176.825 0.585 18713 6484 1 10 . 1 1 90 90 THR CA C 90 66.550 66.550 67.235 -0.685 18713 6485 1 10 . 1 1 90 90 THR CB C 90 68.220 68.220 68.493 -0.273 18713 6486 1 10 . 1 1 90 90 THR H H 90 8.016 8.016 7.653 0.363 18713 6487 1 10 . 1 1 91 91 TYR N N 91 122.770 122.770 120.535 2.235 18713 6488 1 10 . 1 1 91 91 TYR HA H 91 4.162 4.162 4.399 -0.237 18713 6489 1 10 . 1 1 91 91 TYR C C 91 178.180 178.180 178.422 -0.242 18713 6490 1 10 . 1 1 91 91 TYR CA C 91 62.470 62.470 61.209 1.261 18713 6491 1 10 . 1 1 91 91 TYR CB C 91 38.030 38.030 37.938 0.092 18713 6492 1 10 . 1 1 91 91 TYR H H 91 7.822 7.822 8.255 -0.433 18713 6493 1 10 . 1 1 92 92 THR N N 92 119.350 119.350 113.296 6.054 18713 6494 1 10 . 1 1 92 92 THR HA H 92 3.678 3.678 4.027 -0.349 18713 6495 1 10 . 1 1 92 92 THR C C 92 175.880 175.880 177.284 -1.404 18713 6496 1 10 . 1 1 92 92 THR CA C 92 67.390 67.390 66.447 0.943 18713 6497 1 10 . 1 1 92 92 THR CB C 92 69.190 69.190 68.518 0.672 18713 6498 1 10 . 1 1 92 92 THR H H 92 8.160 8.160 8.831 -0.671 18713 6499 1 10 . 1 1 93 93 GLU N N 93 118.840 118.840 122.168 -3.328 18713 6500 1 10 . 1 1 93 93 GLU HA H 93 4.238 4.238 4.076 0.162 18713 6501 1 10 . 1 1 93 93 GLU C C 93 181.340 181.340 179.368 1.972 18713 6502 1 10 . 1 1 93 93 GLU CA C 93 58.290 58.290 59.358 -1.068 18713 6503 1 10 . 1 1 93 93 GLU CB C 93 28.890 28.890 28.780 0.110 18713 6504 1 10 . 1 1 93 93 GLU H H 93 8.514 8.514 8.964 -0.450 18713 6505 1 10 . 1 1 94 94 HIS N N 94 120.870 120.870 119.741 1.129 18713 6506 1 10 . 1 1 94 94 HIS HA H 94 4.465 4.465 4.336 0.129 18713 6507 1 10 . 1 1 94 94 HIS C C 94 175.390 175.390 175.578 -0.188 18713 6508 1 10 . 1 1 94 94 HIS CA C 94 58.250 58.250 59.027 -0.777 18713 6509 1 10 . 1 1 94 94 HIS CB C 94 28.110 28.110 30.057 -1.947 18713 6510 1 10 . 1 1 94 94 HIS H H 94 8.531 8.531 8.235 0.296 18713 6511 1 10 . 1 1 95 95 ALA N N 95 121.010 121.010 119.870 1.140 18713 6512 1 10 . 1 1 95 95 ALA HA H 95 4.335 4.335 4.453 -0.118 18713 6513 1 10 . 1 1 95 95 ALA C C 95 175.380 175.380 175.616 -0.236 18713 6514 1 10 . 1 1 95 95 ALA CA C 95 51.750 51.750 51.303 0.447 18713 6515 1 10 . 1 1 95 95 ALA CB C 95 18.710 18.710 19.369 -0.659 18713 6516 1 10 . 1 1 95 95 ALA H H 95 7.525 7.525 7.708 -0.183 18713 6517 1 10 . 1 1 96 96 LYS N N 96 115.990 115.990 115.035 0.955 18713 6518 1 10 . 1 1 96 96 LYS HA H 96 3.955 3.955 3.843 0.112 18713 6519 1 10 . 1 1 96 96 LYS C C 96 175.020 175.020 175.890 -0.870 18713 6520 1 10 . 1 1 96 96 LYS CA C 96 56.590 56.590 57.279 -0.689 18713 6521 1 10 . 1 1 96 96 LYS CB C 96 28.650 28.650 29.497 -0.847 18713 6522 1 10 . 1 1 96 96 LYS H H 96 8.232 8.232 7.937 0.295 18713 6523 1 10 . 1 1 97 97 ARG N N 97 116.850 116.850 119.543 -2.693 18713 6524 1 10 . 1 1 97 97 ARG HA H 97 4.651 4.651 4.437 0.214 18713 6525 1 10 . 1 1 97 97 ARG C C 97 175.250 175.250 176.043 -0.793 18713 6526 1 10 . 1 1 97 97 ARG CA C 97 55.010 55.010 54.333 0.677 18713 6527 1 10 . 1 1 97 97 ARG CB C 97 35.170 35.170 32.639 2.531 18713 6528 1 10 . 1 1 97 97 ARG H H 97 7.685 7.685 8.452 -0.767 18713 6529 1 10 . 1 1 98 98 LYS N N 98 115.990 115.990 121.427 -5.437 18713 6530 1 10 . 1 1 98 98 LYS HA H 98 4.409 4.409 4.569 -0.160 18713 6531 1 10 . 1 1 98 98 LYS C C 98 174.320 174.320 174.878 -0.558 18713 6532 1 10 . 1 1 98 98 LYS CA C 98 54.500 54.500 55.684 -1.185 18713 6533 1 10 . 1 1 98 98 LYS CB C 98 33.590 33.590 32.725 0.865 18713 6534 1 10 . 1 1 98 98 LYS H H 98 8.232 8.232 8.323 -0.091 18713 6535 1 10 . 1 1 99 99 THR N N 99 114.310 114.310 114.453 -0.143 18713 6536 1 10 . 1 1 99 99 THR HA H 99 4.769 4.769 4.797 -0.028 18713 6537 1 10 . 1 1 99 99 THR C C 99 172.170 172.170 172.939 -0.769 18713 6538 1 10 . 1 1 99 99 THR CA C 99 60.510 60.510 61.459 -0.950 18713 6539 1 10 . 1 1 99 99 THR CB C 99 70.180 70.180 72.206 -2.026 18713 6540 1 10 . 1 1 99 99 THR H H 99 6.768 6.768 7.873 -1.105 18713 6541 1 10 . 1 1 100 100 VAL N N 100 128.820 128.820 123.861 4.959 18713 6542 1 10 . 1 1 100 100 VAL HA H 100 3.987 3.987 4.143 -0.156 18713 6543 1 10 . 1 1 100 100 VAL C C 100 175.690 175.690 174.425 1.265 18713 6544 1 10 . 1 1 100 100 VAL CA C 100 61.950 61.950 60.858 1.092 18713 6545 1 10 . 1 1 100 100 VAL CB C 100 32.290 32.290 32.588 -0.298 18713 6546 1 10 . 1 1 100 100 VAL H H 100 8.690 8.690 9.078 -0.388 18713 6547 1 10 . 1 1 101 101 THR N N 101 118.310 118.310 116.388 1.922 18713 6548 1 10 . 1 1 101 101 THR HA H 101 4.798 4.798 4.670 0.128 18713 6549 1 10 . 1 1 101 101 THR C C 101 176.460 176.460 174.961 1.499 18713 6550 1 10 . 1 1 101 101 THR CA C 101 59.990 59.990 59.543 0.447 18713 6551 1 10 . 1 1 101 101 THR CB C 101 72.550 72.550 72.182 0.368 18713 6552 1 10 . 1 1 101 101 THR H H 101 9.263 9.263 8.339 0.924 18713 6553 1 10 . 1 1 102 102 SER N N 102 115.810 115.810 119.401 -3.591 18713 6554 1 10 . 1 1 102 102 SER HA H 102 3.913 3.913 4.199 -0.286 18713 6555 1 10 . 1 1 102 102 SER C C 102 175.210 175.210 175.975 -0.765 18713 6556 1 10 . 1 1 102 102 SER CA C 102 61.850 61.850 61.082 0.768 18713 6557 1 10 . 1 1 102 102 SER CB C 102 61.850 61.850 62.526 -0.676 18713 6558 1 10 . 1 1 102 102 SER H H 102 9.148 9.148 8.871 0.277 18713 6559 1 10 . 1 1 103 103 LEU N N 103 121.540 121.540 123.172 -1.632 18713 6560 1 10 . 1 1 103 103 LEU HA H 103 3.965 3.965 4.131 -0.166 18713 6561 1 10 . 1 1 103 103 LEU C C 103 177.780 177.780 177.877 -0.097 18713 6562 1 10 . 1 1 103 103 LEU CA C 103 57.630 57.630 56.900 0.730 18713 6563 1 10 . 1 1 103 103 LEU CB C 103 41.430 41.430 40.831 0.599 18713 6564 1 10 . 1 1 103 103 LEU H H 103 7.389 7.389 7.499 -0.110 18713 6565 1 10 . 1 1 104 104 ASP N N 104 120.260 120.260 118.749 1.511 18713 6566 1 10 . 1 1 104 104 ASP HA H 104 4.240 4.240 4.032 0.208 18713 6567 1 10 . 1 1 104 104 ASP C C 104 177.230 177.230 178.663 -1.433 18713 6568 1 10 . 1 1 104 104 ASP CA C 104 58.140 58.140 56.962 1.178 18713 6569 1 10 . 1 1 104 104 ASP CB C 104 41.050 41.050 40.593 0.457 18713 6570 1 10 . 1 1 104 104 ASP H H 104 7.240 7.240 7.622 -0.382 18713 6571 1 10 . 1 1 105 105 VAL N N 105 118.230 118.230 119.954 -1.724 18713 6572 1 10 . 1 1 105 105 VAL HA H 105 4.025 4.025 3.741 0.284 18713 6573 1 10 . 1 1 105 105 VAL C C 105 177.550 177.550 178.307 -0.757 18713 6574 1 10 . 1 1 105 105 VAL CA C 105 65.270 65.270 66.684 -1.414 18713 6575 1 10 . 1 1 105 105 VAL CB C 105 31.570 31.570 31.446 0.124 18713 6576 1 10 . 1 1 105 105 VAL H H 105 7.150 7.150 7.685 -0.535 18713 6577 1 10 . 1 1 106 106 VAL N N 106 120.450 120.450 121.116 -0.666 18713 6578 1 10 . 1 1 106 106 VAL HA H 106 3.512 3.512 3.724 -0.212 18713 6579 1 10 . 1 1 106 106 VAL C C 106 178.520 178.520 178.287 0.233 18713 6580 1 10 . 1 1 106 106 VAL CA C 106 67.440 67.440 66.900 0.540 18713 6581 1 10 . 1 1 106 106 VAL CB C 106 31.770 31.770 31.302 0.468 18713 6582 1 10 . 1 1 106 106 VAL H H 106 8.380 8.380 7.854 0.526 18713 6583 1 10 . 1 1 107 107 TYR N N 107 120.160 120.160 119.290 0.870 18713 6584 1 10 . 1 1 107 107 TYR HA H 107 4.113 4.113 4.033 0.080 18713 6585 1 10 . 1 1 107 107 TYR C C 107 177.950 177.950 178.110 -0.160 18713 6586 1 10 . 1 1 107 107 TYR CA C 107 60.150 60.150 60.017 0.133 18713 6587 1 10 . 1 1 107 107 TYR CB C 107 36.210 36.210 36.898 -0.688 18713 6588 1 10 . 1 1 107 107 TYR H H 107 8.246 8.246 8.274 -0.028 18713 6589 1 10 . 1 1 108 108 ALA N N 108 123.660 123.660 122.362 1.298 18713 6590 1 10 . 1 1 108 108 ALA HA H 108 4.018 4.018 4.182 -0.164 18713 6591 1 10 . 1 1 108 108 ALA C C 108 180.350 180.350 179.990 0.360 18713 6592 1 10 . 1 1 108 108 ALA CA C 108 55.670 55.670 55.112 0.558 18713 6593 1 10 . 1 1 108 108 ALA CB C 108 20.650 20.650 18.412 2.238 18713 6594 1 10 . 1 1 108 108 ALA H H 108 7.912 7.912 8.399 -0.487 18713 6595 1 10 . 1 1 109 109 LEU N N 109 119.820 119.820 119.055 0.765 18713 6596 1 10 . 1 1 109 109 LEU HA H 109 3.887 3.887 4.100 -0.213 18713 6597 1 10 . 1 1 109 109 LEU C C 109 179.290 179.290 178.810 0.480 18713 6598 1 10 . 1 1 109 109 LEU CA C 109 57.870 57.870 57.599 0.271 18713 6599 1 10 . 1 1 109 109 LEU CB C 109 41.430 41.430 41.969 -0.539 18713 6600 1 10 . 1 1 109 109 LEU H H 109 8.727 8.727 8.480 0.247 18713 6601 1 10 . 1 1 110 110 LYS N N 110 120.420 120.420 119.938 0.482 18713 6602 1 10 . 1 1 110 110 LYS HA H 110 4.158 4.158 4.019 0.139 18713 6603 1 10 . 1 1 110 110 LYS C C 110 179.470 179.470 179.445 0.025 18713 6604 1 10 . 1 1 110 110 LYS CA C 110 58.850 58.850 59.764 -0.914 18713 6605 1 10 . 1 1 110 110 LYS CB C 110 32.050 32.050 32.374 -0.324 18713 6606 1 10 . 1 1 110 110 LYS H H 110 8.180 8.180 8.412 -0.232 18713 6607 1 10 . 1 1 111 111 ARG N N 111 119.820 119.820 117.358 2.462 18713 6608 1 10 . 1 1 111 111 ARG HA H 111 4.142 4.142 4.206 -0.064 18713 6609 1 10 . 1 1 111 111 ARG C C 111 177.240 177.240 178.313 -1.073 18713 6610 1 10 . 1 1 111 111 ARG CA C 111 58.150 58.150 58.181 -0.031 18713 6611 1 10 . 1 1 111 111 ARG CB C 111 29.810 29.810 29.586 0.224 18713 6612 1 10 . 1 1 111 111 ARG H H 111 7.765 7.765 8.006 -0.241 18713 6613 1 10 . 1 1 112 112 GLN N N 112 116.120 116.120 118.538 -2.418 18713 6614 1 10 . 1 1 112 112 GLN HA H 112 4.435 4.435 4.280 0.155 18713 6615 1 10 . 1 1 112 112 GLN C C 112 176.060 176.060 176.759 -0.699 18713 6616 1 10 . 1 1 112 112 GLN CA C 112 55.550 55.550 56.712 -1.162 18713 6617 1 10 . 1 1 112 112 GLN CB C 112 28.760 28.760 29.194 -0.434 18713 6618 1 10 . 1 1 112 112 GLN H H 112 7.856 7.856 7.711 0.145 18713 6619 1 10 . 1 1 113 113 GLY N N 113 108.070 108.070 106.095 1.975 18713 6620 1 10 . 1 1 113 113 GLY C C 113 174.240 174.240 174.994 -0.754 18713 6621 1 10 . 1 1 113 113 GLY CA C 113 45.953 45.953 44.822 1.131 18713 6622 1 10 . 1 1 113 113 GLY H H 113 8.048 8.048 7.776 0.272 18713 6623 1 10 . 1 1 114 114 ARG N N 114 119.710 119.710 119.652 0.058 18713 6624 1 10 . 1 1 114 114 ARG HA H 114 4.565 4.565 4.207 0.358 18713 6625 1 10 . 1 1 114 114 ARG C C 114 175.490 175.490 176.691 -1.201 18713 6626 1 10 . 1 1 114 114 ARG CA C 114 57.950 57.950 57.616 0.334 18713 6627 1 10 . 1 1 114 114 ARG CB C 114 31.510 31.510 30.942 0.568 18713 6628 1 10 . 1 1 114 114 ARG H H 114 8.116 8.116 8.148 -0.032 18713 6629 1 10 . 1 1 115 115 THR N N 115 114.890 114.890 111.756 3.134 18713 6630 1 10 . 1 1 115 115 THR HA H 115 4.262 4.262 4.546 -0.284 18713 6631 1 10 . 1 1 115 115 THR C C 115 173.460 173.460 172.953 0.507 18713 6632 1 10 . 1 1 115 115 THR CA C 115 61.820 61.820 61.433 0.387 18713 6633 1 10 . 1 1 115 115 THR CB C 115 70.050 70.050 69.128 0.922 18713 6634 1 10 . 1 1 115 115 THR H H 115 8.143 8.143 7.752 0.391 18713 6635 1 10 . 1 1 116 116 LEU N N 116 124.070 124.070 128.022 -3.952 18713 6636 1 10 . 1 1 116 116 LEU HA H 116 4.425 4.425 4.604 -0.179 18713 6637 1 10 . 1 1 116 116 LEU C C 116 175.830 175.830 177.864 -2.034 18713 6638 1 10 . 1 1 116 116 LEU CA C 116 54.760 54.760 54.534 0.226 18713 6639 1 10 . 1 1 116 116 LEU CB C 116 43.280 43.280 41.368 1.912 18713 6640 1 10 . 1 1 116 116 LEU H H 116 8.143 8.143 8.767 -0.624 18713 6641 1 10 . 1 1 117 117 TYR N N 117 121.630 121.630 121.306 0.324 18713 6642 1 10 . 1 1 117 117 TYR HA H 117 4.550 4.550 4.299 0.251 18713 6643 1 10 . 1 1 117 117 TYR C C 117 175.830 175.830 175.773 0.057 18713 6644 1 10 . 1 1 117 117 TYR CA C 117 58.140 58.140 59.047 -0.907 18713 6645 1 10 . 1 1 117 117 TYR CB C 117 38.850 38.850 36.660 2.190 18713 6646 1 10 . 1 1 117 117 TYR H H 117 8.213 8.213 8.440 -0.227 18713 6647 1 10 . 1 1 118 118 GLY N N 118 110.050 110.050 104.336 5.714 18713 6648 1 10 . 1 1 118 118 GLY C C 118 173.660 173.660 173.657 0.003 18713 6649 1 10 . 1 1 118 118 GLY CA C 118 45.470 45.470 44.820 0.650 18713 6650 1 10 . 1 1 118 118 GLY H H 118 8.275 8.275 8.205 0.070 18713 6651 1 10 . 1 1 119 119 PHE N N 119 119.610 119.610 120.030 -0.420 18713 6652 1 10 . 1 1 119 119 PHE HA H 119 4.612 4.612 4.664 -0.052 18713 6653 1 10 . 1 1 119 119 PHE C C 119 175.280 175.280 175.663 -0.383 18713 6654 1 10 . 1 1 119 119 PHE CA C 119 58.060 58.060 57.073 0.987 18713 6655 1 10 . 1 1 119 119 PHE CB C 119 40.050 40.050 39.969 0.080 18713 6656 1 10 . 1 1 119 119 PHE H H 119 8.033 8.033 7.703 0.330 18713 6657 1 10 . 1 1 120 120 GLY N N 120 110.930 110.930 108.825 2.105 18713 6658 1 10 . 1 1 120 120 GLY C C 120 173.050 173.050 175.033 -1.983 18713 6659 1 10 . 1 1 120 120 GLY CA C 120 45.650 45.650 44.898 0.752 18713 6660 1 10 . 1 1 120 120 GLY H H 120 8.334 8.334 7.797 0.537 18713 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 110 2.292 -0.094 2.301 18713 2 1 1 "Average Difference" HA 122 0.259 -0.074 0.249 18713 3 1 1 "Average Difference" C 110 1.161 0.522 1.042 18713 4 1 1 "Average Difference" CA 116 1.200 0.141 1.197 18713 5 1 1 "Average Difference" CB 110 1.099 -0.300 1.062 18713 6 1 1 "Average Difference" HN 110 0.436 0.047 0.435 18713 7 1 2 "Average Difference" N 110 2.268 -0.026 2.278 18713 8 1 2 "Average Difference" HA 122 0.230 -0.048 0.226 18713 9 1 2 "Average Difference" C 110 0.978 0.391 0.901 18713 10 1 2 "Average Difference" CA 116 1.067 0.005 1.071 18713 11 1 2 "Average Difference" CB 110 0.925 -0.273 0.888 18713 12 1 2 "Average Difference" HN 110 0.418 -0.011 0.420 18713 13 1 3 "Average Difference" N 110 2.627 -0.269 2.625 18713 14 1 3 "Average Difference" HA 122 0.231 -0.037 0.229 18713 15 1 3 "Average Difference" C 110 1.051 0.456 0.951 18713 16 1 3 "Average Difference" CA 116 1.167 0.176 1.158 18713 17 1 3 "Average Difference" CB 110 1.021 -0.233 0.998 18713 18 1 3 "Average Difference" HN 110 0.401 0.010 0.403 18713 19 1 4 "Average Difference" N 110 2.206 0.007 2.216 18713 20 1 4 "Average Difference" HA 122 0.243 -0.047 0.239 18713 21 1 4 "Average Difference" C 110 1.021 0.327 0.972 18713 22 1 4 "Average Difference" CA 116 1.095 -0.001 1.100 18713 23 1 4 "Average Difference" CB 110 0.964 -0.176 0.952 18713 24 1 4 "Average Difference" HN 110 0.412 0.010 0.414 18713 25 1 5 "Average Difference" N 110 2.395 -0.082 2.405 18713 26 1 5 "Average Difference" HA 122 0.234 -0.044 0.231 18713 27 1 5 "Average Difference" C 110 1.035 0.405 0.956 18713 28 1 5 "Average Difference" CA 116 1.092 0.124 1.089 18713 29 1 5 "Average Difference" CB 110 0.958 -0.282 0.919 18713 30 1 5 "Average Difference" HN 110 0.412 0.001 0.414 18713 31 1 6 "Average Difference" N 110 2.317 -0.170 2.321 18713 32 1 6 "Average Difference" HA 122 0.249 -0.066 0.241 18713 33 1 6 "Average Difference" C 110 1.078 0.463 0.978 18713 34 1 6 "Average Difference" CA 116 1.195 0.201 1.183 18713 35 1 6 "Average Difference" CB 110 1.011 -0.293 0.972 18713 36 1 6 "Average Difference" HN 110 0.383 0.014 0.385 18713 37 1 7 "Average Difference" N 110 2.350 0.074 2.359 18713 38 1 7 "Average Difference" HA 122 0.231 -0.045 0.227 18713 39 1 7 "Average Difference" C 110 1.106 0.463 1.009 18713 40 1 7 "Average Difference" CA 116 1.173 0.110 1.173 18713 41 1 7 "Average Difference" CB 110 1.027 -0.241 1.003 18713 42 1 7 "Average Difference" HN 110 0.435 -0.006 0.437 18713 43 1 8 "Average Difference" N 110 2.209 -0.213 2.208 18713 44 1 8 "Average Difference" HA 122 0.237 -0.035 0.236 18713 45 1 8 "Average Difference" C 110 1.140 0.453 1.051 18713 46 1 8 "Average Difference" CA 116 1.070 0.078 1.072 18713 47 1 8 "Average Difference" CB 110 1.028 -0.359 0.968 18713 48 1 8 "Average Difference" HN 110 0.402 -0.002 0.404 18713 49 1 9 "Average Difference" N 110 2.311 -0.296 2.302 18713 50 1 9 "Average Difference" HA 122 0.249 -0.064 0.242 18713 51 1 9 "Average Difference" C 110 1.030 0.431 0.940 18713 52 1 9 "Average Difference" CA 116 1.193 0.123 1.192 18713 53 1 9 "Average Difference" CB 110 1.047 -0.300 1.008 18713 54 1 9 "Average Difference" HN 110 0.412 -0.011 0.413 18713 55 1 10 "Average Difference" N 110 2.520 -0.145 2.527 18713 56 1 10 "Average Difference" HA 122 0.237 -0.041 0.234 18713 57 1 10 "Average Difference" C 110 1.155 0.459 1.064 18713 58 1 10 "Average Difference" CA 116 1.164 0.118 1.163 18713 59 1 10 "Average Difference" CB 110 0.975 -0.328 0.923 18713 60 1 10 "Average Difference" HN 110 0.444 0.034 0.444 18713 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 18713 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ILE HA H 2 4.175 4.175 4.026 0.149 18713 2 1 . 1 1 2 2 ILE CA C 2 61.880 61.880 63.240 -1.360 18713 3 1 . 1 1 2 2 ILE CB C 2 37.770 37.770 37.892 -0.122 18713 4 1 . 1 1 3 3 SER N N 3 116.020 116.020 115.347 0.673 18713 5 1 . 1 1 3 3 SER HA H 3 4.435 4.435 4.271 0.164 18713 6 1 . 1 1 3 3 SER CA C 3 59.590 59.590 60.203 -0.613 18713 7 1 . 1 1 3 3 SER CB C 3 63.640 63.640 63.193 0.447 18713 8 1 . 1 1 3 3 SER H H 3 7.913 7.913 8.068 -0.155 18713 9 1 . 1 1 4 4 LYS N N 4 120.030 120.030 119.662 0.368 18713 10 1 . 1 1 4 4 LYS HA H 4 4.380 4.380 4.128 0.252 18713 11 1 . 1 1 4 4 LYS CA C 4 56.150 56.150 56.940 -0.790 18713 12 1 . 1 1 4 4 LYS CB C 4 32.850 32.850 32.381 0.469 18713 13 1 . 1 1 4 4 LYS H H 4 7.979 7.979 7.576 0.403 18713 14 1 . 1 1 7 7 PHE HA H 7 4.023 4.023 4.211 -0.188 18713 15 1 . 1 1 7 7 PHE C C 7 176.700 176.700 176.949 -0.249 18713 16 1 . 1 1 7 7 PHE CA C 7 63.150 63.150 60.894 2.256 18713 17 1 . 1 1 7 7 PHE CB C 7 39.880 39.880 38.370 1.510 18713 18 1 . 1 1 8 8 ALA N N 8 121.230 121.230 122.025 -0.795 18713 19 1 . 1 1 8 8 ALA HA H 8 3.920 3.920 3.927 -0.007 18713 20 1 . 1 1 8 8 ALA C C 8 178.010 178.010 179.626 -1.616 18713 21 1 . 1 1 8 8 ALA CA C 8 55.630 55.630 55.189 0.441 18713 22 1 . 1 1 8 8 ALA CB C 8 17.750 17.750 18.221 -0.471 18713 23 1 . 1 1 8 8 ALA H H 8 8.715 8.715 8.267 0.448 18713 24 1 . 1 1 9 9 ARG N N 9 118.910 118.910 118.158 0.752 18713 25 1 . 1 1 9 9 ARG HA H 9 4.081 4.081 3.950 0.131 18713 26 1 . 1 1 9 9 ARG C C 9 177.790 177.790 178.869 -1.079 18713 27 1 . 1 1 9 9 ARG CA C 9 58.700 58.700 59.268 -0.568 18713 28 1 . 1 1 9 9 ARG CB C 9 30.120 30.120 30.075 0.045 18713 29 1 . 1 1 9 9 ARG H H 9 7.618 7.618 7.575 0.044 18713 30 1 . 1 1 10 10 LEU N N 10 120.830 120.830 120.703 0.127 18713 31 1 . 1 1 10 10 LEU HA H 10 4.233 4.233 3.973 0.260 18713 32 1 . 1 1 10 10 LEU C C 10 177.780 177.780 178.826 -1.046 18713 33 1 . 1 1 10 10 LEU CA C 10 57.680 57.680 57.967 -0.287 18713 34 1 . 1 1 10 10 LEU CB C 10 41.680 41.680 41.622 0.058 18713 35 1 . 1 1 10 10 LEU H H 10 7.752 7.752 8.184 -0.432 18713 36 1 . 1 1 11 11 VAL N N 11 117.150 117.150 119.534 -2.384 18713 37 1 . 1 1 11 11 VAL HA H 11 3.425 3.425 3.475 -0.050 18713 38 1 . 1 1 11 11 VAL C C 11 177.830 177.830 177.890 -0.060 18713 39 1 . 1 1 11 11 VAL CA C 11 66.930 66.930 66.897 0.033 18713 40 1 . 1 1 11 11 VAL CB C 11 31.520 31.520 31.173 0.347 18713 41 1 . 1 1 11 11 VAL H H 11 8.180 8.180 8.459 -0.279 18713 42 1 . 1 1 12 12 LYS N N 12 121.880 121.880 119.726 2.154 18713 43 1 . 1 1 12 12 LYS HA H 12 3.998 3.998 3.957 0.041 18713 44 1 . 1 1 12 12 LYS C C 12 176.790 176.790 179.081 -2.292 18713 45 1 . 1 1 12 12 LYS CA C 12 58.950 58.950 59.984 -1.034 18713 46 1 . 1 1 12 12 LYS CB C 12 32.120 32.120 31.995 0.126 18713 47 1 . 1 1 12 12 LYS H H 12 7.668 7.668 8.250 -0.582 18713 48 1 . 1 1 13 13 GLU N N 13 118.250 118.250 119.570 -1.320 18713 49 1 . 1 1 13 13 GLU HA H 13 4.085 4.085 3.951 0.134 18713 50 1 . 1 1 13 13 GLU C C 13 179.280 179.280 178.919 0.361 18713 51 1 . 1 1 13 13 GLU CA C 13 59.650 59.650 59.358 0.292 18713 52 1 . 1 1 13 13 GLU CB C 13 29.770 29.770 29.543 0.227 18713 53 1 . 1 1 13 13 GLU H H 13 8.149 8.149 8.030 0.119 18713 54 1 . 1 1 14 14 VAL N N 14 117.450 117.450 119.573 -2.123 18713 55 1 . 1 1 14 14 VAL HA H 14 4.007 4.007 3.430 0.577 18713 56 1 . 1 1 14 14 VAL C C 14 178.350 178.350 177.720 0.630 18713 57 1 . 1 1 14 14 VAL CA C 14 66.220 66.220 66.328 -0.108 18713 58 1 . 1 1 14 14 VAL CB C 14 31.250 31.250 31.289 -0.039 18713 59 1 . 1 1 14 14 VAL H H 14 7.974 7.974 8.236 -0.262 18713 60 1 . 1 1 15 15 THR N N 15 113.780 113.780 115.671 -1.891 18713 61 1 . 1 1 15 15 THR HA H 15 3.771 3.771 3.599 0.172 18713 62 1 . 1 1 15 15 THR C C 15 178.190 178.190 176.235 1.954 18713 63 1 . 1 1 15 15 THR CA C 15 66.990 66.990 67.033 -0.043 18713 64 1 . 1 1 15 15 THR CB C 15 68.590 68.590 68.329 0.260 18713 65 1 . 1 1 15 15 THR H H 15 8.569 8.569 8.174 0.395 18713 66 1 . 1 1 16 16 ASP N N 16 123.420 123.420 121.596 1.824 18713 67 1 . 1 1 16 16 ASP HA H 16 4.545 4.545 4.353 0.192 18713 68 1 . 1 1 16 16 ASP C C 16 178.450 178.450 177.963 0.487 18713 69 1 . 1 1 16 16 ASP CA C 16 57.410 57.410 57.127 0.283 18713 70 1 . 1 1 16 16 ASP CB C 16 39.880 39.880 39.911 -0.031 18713 71 1 . 1 1 16 16 ASP H H 16 8.664 8.664 8.220 0.444 18713 72 1 . 1 1 17 17 GLU N N 17 120.180 120.180 118.341 1.839 18713 73 1 . 1 1 17 17 GLU HA H 17 4.089 4.089 4.069 0.020 18713 74 1 . 1 1 17 17 GLU C C 17 178.220 178.220 179.712 -1.492 18713 75 1 . 1 1 17 17 GLU CA C 17 59.050 59.050 58.921 0.129 18713 76 1 . 1 1 17 17 GLU CB C 17 28.850 28.850 29.458 -0.608 18713 77 1 . 1 1 17 17 GLU H H 17 7.705 7.705 7.441 0.264 18713 78 1 . 1 1 18 18 PHE N N 18 117.450 117.450 118.311 -0.861 18713 79 1 . 1 1 18 18 PHE HA H 18 4.396 4.396 4.512 -0.116 18713 80 1 . 1 1 18 18 PHE C C 18 177.130 177.130 177.828 -0.698 18713 81 1 . 1 1 18 18 PHE CA C 18 60.720 60.720 58.127 2.593 18713 82 1 . 1 1 18 18 PHE CB C 18 39.880 39.880 38.208 1.673 18713 83 1 . 1 1 18 18 PHE H H 18 7.911 7.911 7.425 0.486 18713 84 1 . 1 1 19 19 THR N N 19 115.450 115.450 113.678 1.772 18713 85 1 . 1 1 19 19 THR HA H 19 4.510 4.510 4.384 0.126 18713 86 1 . 1 1 19 19 THR C C 19 175.160 175.160 175.043 0.117 18713 87 1 . 1 1 19 19 THR CA C 19 63.880 63.880 63.403 0.477 18713 88 1 . 1 1 19 19 THR CB C 19 69.450 69.450 68.164 1.286 18713 89 1 . 1 1 19 19 THR H H 19 8.270 8.270 8.719 -0.449 18713 90 1 . 1 1 20 20 THR N N 20 114.370 114.370 116.731 -2.361 18713 91 1 . 1 1 20 20 THR HA H 20 4.262 4.262 4.052 0.210 18713 92 1 . 1 1 20 20 THR C C 20 175.280 175.280 175.453 -0.173 18713 93 1 . 1 1 20 20 THR CA C 20 63.850 63.850 64.692 -0.842 18713 94 1 . 1 1 20 20 THR CB C 20 69.250 69.250 68.573 0.677 18713 95 1 . 1 1 20 20 THR H H 20 7.974 7.974 7.433 0.541 18713 96 1 . 1 1 21 21 LYS N N 21 119.710 119.710 120.130 -0.420 18713 97 1 . 1 1 21 21 LYS HA H 21 4.291 4.291 4.264 0.027 18713 98 1 . 1 1 21 21 LYS C C 21 176.070 176.070 176.669 -0.599 18713 99 1 . 1 1 21 21 LYS CA C 21 57.180 57.180 56.577 0.603 18713 100 1 . 1 1 21 21 LYS CB C 21 32.830 32.830 31.742 1.088 18713 101 1 . 1 1 21 21 LYS H H 21 7.519 7.519 7.862 -0.343 18713 102 1 . 1 1 22 22 ASP N N 22 119.020 119.020 121.892 -2.872 18713 103 1 . 1 1 22 22 ASP HA H 22 4.730 4.730 4.630 0.100 18713 104 1 . 1 1 22 22 ASP C C 22 175.080 175.080 176.442 -1.362 18713 105 1 . 1 1 22 22 ASP CA C 22 53.770 53.770 53.972 -0.202 18713 106 1 . 1 1 22 22 ASP CB C 22 39.990 39.990 39.110 0.880 18713 107 1 . 1 1 22 22 ASP H H 22 7.841 7.841 7.828 0.013 18713 108 1 . 1 1 23 23 GLN N N 23 120.720 120.720 117.817 2.903 18713 109 1 . 1 1 23 23 GLN HA H 23 4.425 4.425 4.107 0.318 18713 110 1 . 1 1 23 23 GLN C C 23 175.860 175.860 176.589 -0.729 18713 111 1 . 1 1 23 23 GLN CA C 23 57.530 57.530 58.091 -0.561 18713 112 1 . 1 1 23 23 GLN CB C 23 29.050 29.050 28.855 0.195 18713 113 1 . 1 1 23 23 GLN H H 23 8.313 8.313 8.454 -0.141 18713 114 1 . 1 1 24 24 ASP N N 24 119.150 119.150 114.335 4.815 18713 115 1 . 1 1 24 24 ASP HA H 24 4.655 4.655 4.722 -0.067 18713 116 1 . 1 1 24 24 ASP C C 24 174.840 174.840 174.751 0.089 18713 117 1 . 1 1 24 24 ASP CA C 24 54.560 54.560 53.770 0.790 18713 118 1 . 1 1 24 24 ASP CB C 24 41.290 41.290 42.360 -1.070 18713 119 1 . 1 1 24 24 ASP H H 24 8.313 8.313 8.249 0.064 18713 120 1 . 1 1 25 25 LEU N N 25 121.240 121.240 120.965 0.275 18713 121 1 . 1 1 25 25 LEU HA H 25 4.602 4.602 4.245 0.357 18713 122 1 . 1 1 25 25 LEU C C 25 176.550 176.550 176.804 -0.254 18713 123 1 . 1 1 25 25 LEU CA C 25 55.060 55.060 55.727 -0.667 18713 124 1 . 1 1 25 25 LEU CB C 25 43.520 43.520 42.757 0.763 18713 125 1 . 1 1 25 25 LEU H H 25 7.572 7.572 7.870 -0.298 18713 126 1 . 1 1 26 26 ARG N N 26 123.560 123.560 119.997 3.563 18713 127 1 . 1 1 26 26 ARG HA H 26 4.787 4.787 4.686 0.101 18713 128 1 . 1 1 26 26 ARG C C 26 174.040 174.040 174.384 -0.344 18713 129 1 . 1 1 26 26 ARG CA C 26 54.010 54.010 55.032 -1.022 18713 130 1 . 1 1 26 26 ARG CB C 26 33.170 33.170 33.269 -0.099 18713 131 1 . 1 1 26 26 ARG H H 26 8.385 8.385 8.364 0.021 18713 132 1 . 1 1 27 27 TRP N N 27 121.230 121.230 125.723 -4.493 18713 133 1 . 1 1 27 27 TRP HA H 27 4.608 4.608 4.886 -0.278 18713 134 1 . 1 1 27 27 TRP C C 27 176.280 176.280 176.524 -0.244 18713 135 1 . 1 1 27 27 TRP CA C 27 56.110 56.110 56.958 -0.848 18713 136 1 . 1 1 27 27 TRP CB C 27 30.350 30.350 29.740 0.610 18713 137 1 . 1 1 27 27 TRP H H 27 8.824 8.824 8.808 0.016 18713 138 1 . 1 1 28 28 GLN N N 28 122.270 122.270 124.606 -2.336 18713 139 1 . 1 1 28 28 GLN HA H 28 4.163 4.163 4.625 -0.462 18713 140 1 . 1 1 28 28 GLN C C 28 176.280 176.280 177.233 -0.953 18713 141 1 . 1 1 28 28 GLN CA C 28 56.850 56.850 54.494 2.356 18713 142 1 . 1 1 28 28 GLN CB C 28 32.830 32.830 29.483 3.347 18713 143 1 . 1 1 28 28 GLN H H 28 8.427 8.427 7.997 0.430 18713 144 1 . 1 1 29 29 SER HA H 29 4.276 4.276 4.205 0.071 18713 145 1 . 1 1 29 29 SER CA C 29 63.180 63.180 61.654 1.525 18713 146 1 . 1 1 29 29 SER CB C 29 62.930 62.930 63.009 -0.079 18713 147 1 . 1 1 30 30 MET HA H 30 4.430 4.430 4.274 0.156 18713 148 1 . 1 1 30 30 MET C C 30 178.450 178.450 177.834 0.616 18713 149 1 . 1 1 30 30 MET CA C 30 57.760 57.760 57.979 -0.220 18713 150 1 . 1 1 30 30 MET CB C 30 32.120 32.120 31.695 0.425 18713 151 1 . 1 1 31 31 ALA N N 31 122.750 122.750 122.711 0.039 18713 152 1 . 1 1 31 31 ALA HA H 31 4.015 4.015 3.887 0.128 18713 153 1 . 1 1 31 31 ALA C C 31 178.090 178.090 179.737 -1.647 18713 154 1 . 1 1 31 31 ALA CA C 31 55.430 55.430 55.091 0.339 18713 155 1 . 1 1 31 31 ALA CB C 31 18.590 18.590 17.575 1.015 18713 156 1 . 1 1 31 31 ALA H H 31 7.619 7.619 7.866 -0.247 18713 157 1 . 1 1 32 32 ILE N N 32 117.950 117.950 118.272 -0.322 18713 158 1 . 1 1 32 32 ILE HA H 32 3.691 3.691 3.752 -0.061 18713 159 1 . 1 1 32 32 ILE C C 32 178.410 178.410 177.846 0.564 18713 160 1 . 1 1 32 32 ILE CA C 32 63.290 63.290 64.961 -1.671 18713 161 1 . 1 1 32 32 ILE CB C 32 36.120 36.120 37.902 -1.782 18713 162 1 . 1 1 32 32 ILE H H 32 7.503 7.503 7.291 0.212 18713 163 1 . 1 1 33 33 MET N N 33 118.790 118.790 118.610 0.180 18713 164 1 . 1 1 33 33 MET HA H 33 4.269 4.269 4.143 0.126 18713 165 1 . 1 1 33 33 MET C C 33 177.970 177.970 178.401 -0.431 18713 166 1 . 1 1 33 33 MET CA C 33 57.670 57.670 57.612 0.058 18713 167 1 . 1 1 33 33 MET CB C 33 32.040 32.040 31.170 0.870 18713 168 1 . 1 1 33 33 MET H H 33 8.034 8.034 7.738 0.296 18713 169 1 . 1 1 34 34 ALA N N 34 122.470 122.470 122.353 0.117 18713 170 1 . 1 1 34 34 ALA HA H 34 3.944 3.944 4.085 -0.141 18713 171 1 . 1 1 34 34 ALA C C 34 179.680 179.680 179.382 0.298 18713 172 1 . 1 1 34 34 ALA CA C 34 55.290 55.290 55.312 -0.022 18713 173 1 . 1 1 34 34 ALA CB C 34 17.050 17.050 18.102 -1.053 18713 174 1 . 1 1 34 34 ALA H H 34 8.007 8.007 8.475 -0.468 18713 175 1 . 1 1 35 35 LEU N N 35 118.310 118.310 119.233 -0.923 18713 176 1 . 1 1 35 35 LEU HA H 35 3.945 3.945 4.073 -0.128 18713 177 1 . 1 1 35 35 LEU C C 35 179.630 179.630 179.379 0.251 18713 178 1 . 1 1 35 35 LEU CA C 35 57.880 57.880 58.110 -0.230 18713 179 1 . 1 1 35 35 LEU CB C 35 42.710 42.710 41.352 1.358 18713 180 1 . 1 1 35 35 LEU H H 35 8.003 8.003 7.546 0.457 18713 181 1 . 1 1 36 36 GLN N N 36 122.480 122.480 118.168 4.312 18713 182 1 . 1 1 36 36 GLN HA H 36 3.718 3.718 4.087 -0.369 18713 183 1 . 1 1 36 36 GLN C C 36 177.850 177.850 178.988 -1.138 18713 184 1 . 1 1 36 36 GLN CA C 36 60.150 60.150 58.828 1.322 18713 185 1 . 1 1 36 36 GLN CB C 36 28.150 28.150 28.104 0.046 18713 186 1 . 1 1 36 36 GLN H H 36 8.532 8.532 7.949 0.583 18713 187 1 . 1 1 37 37 GLU N N 37 120.790 120.790 119.813 0.977 18713 188 1 . 1 1 37 37 GLU HA H 37 4.043 4.043 4.288 -0.245 18713 189 1 . 1 1 37 37 GLU C C 37 179.190 179.190 178.958 0.232 18713 190 1 . 1 1 37 37 GLU CA C 37 59.650 59.650 58.872 0.778 18713 191 1 . 1 1 37 37 GLU CB C 37 28.120 28.120 29.369 -1.249 18713 192 1 . 1 1 37 37 GLU H H 37 8.562 8.562 8.427 0.136 18713 193 1 . 1 1 38 38 ALA N N 38 121.430 121.430 122.791 -1.360 18713 194 1 . 1 1 38 38 ALA HA H 38 4.228 4.228 3.961 0.267 18713 195 1 . 1 1 38 38 ALA C C 38 179.740 179.740 179.835 -0.095 18713 196 1 . 1 1 38 38 ALA CA C 38 54.550 54.550 55.380 -0.830 18713 197 1 . 1 1 38 38 ALA CB C 38 19.050 19.050 18.250 0.799 18713 198 1 . 1 1 38 38 ALA H H 38 8.626 8.626 8.483 0.143 18713 199 1 . 1 1 39 39 SER N N 39 115.350 115.350 114.372 0.978 18713 200 1 . 1 1 39 39 SER HA H 39 4.159 4.159 4.220 -0.061 18713 201 1 . 1 1 39 39 SER C C 39 174.490 174.490 176.940 -2.450 18713 202 1 . 1 1 39 39 SER CA C 39 62.550 62.550 61.842 0.708 18713 203 1 . 1 1 39 39 SER CB C 39 64.580 64.580 63.204 1.376 18713 204 1 . 1 1 39 39 SER H H 39 8.160 8.160 8.139 0.022 18713 205 1 . 1 1 40 40 GLU N N 40 123.380 123.380 121.089 2.291 18713 206 1 . 1 1 40 40 GLU HA H 40 3.545 3.545 4.161 -0.616 18713 207 1 . 1 1 40 40 GLU C C 40 177.080 177.080 178.573 -1.493 18713 208 1 . 1 1 40 40 GLU CA C 40 59.890 59.890 58.961 0.929 18713 209 1 . 1 1 40 40 GLU CB C 40 28.150 28.150 29.162 -1.012 18713 210 1 . 1 1 40 40 GLU H H 40 7.632 7.632 8.036 -0.404 18713 211 1 . 1 1 41 41 ALA N N 41 120.090 120.090 122.540 -2.450 18713 212 1 . 1 1 41 41 ALA HA H 41 4.007 4.007 4.074 -0.067 18713 213 1 . 1 1 41 41 ALA C C 41 180.370 180.370 179.450 0.920 18713 214 1 . 1 1 41 41 ALA CA C 41 54.930 54.930 54.727 0.203 18713 215 1 . 1 1 41 41 ALA CB C 41 18.150 18.150 17.999 0.151 18713 216 1 . 1 1 41 41 ALA H H 41 7.860 7.860 8.263 -0.403 18713 217 1 . 1 1 42 42 TYR N N 42 120.400 120.400 119.888 0.512 18713 218 1 . 1 1 42 42 TYR HA H 42 3.970 3.970 4.071 -0.101 18713 219 1 . 1 1 42 42 TYR C C 42 177.220 177.220 177.645 -0.425 18713 220 1 . 1 1 42 42 TYR CA C 42 60.350 60.350 61.960 -1.610 18713 221 1 . 1 1 42 42 TYR CB C 42 38.450 38.450 38.626 -0.176 18713 222 1 . 1 1 42 42 TYR H H 42 8.266 8.266 8.018 0.248 18713 223 1 . 1 1 43 43 LEU N N 43 119.630 119.630 119.496 0.134 18713 224 1 . 1 1 43 43 LEU HA H 43 3.812 3.812 3.881 -0.069 18713 225 1 . 1 1 43 43 LEU C C 43 177.790 177.790 178.677 -0.887 18713 226 1 . 1 1 43 43 LEU CA C 43 57.530 57.530 58.313 -0.783 18713 227 1 . 1 1 43 43 LEU CB C 43 41.990 41.990 41.869 0.121 18713 228 1 . 1 1 43 43 LEU H H 43 8.080 8.080 7.868 0.212 18713 229 1 . 1 1 44 44 VAL N N 44 118.320 118.320 118.618 -0.298 18713 230 1 . 1 1 44 44 VAL HA H 44 3.450 3.450 3.553 -0.103 18713 231 1 . 1 1 44 44 VAL C C 44 177.960 177.960 178.077 -0.117 18713 232 1 . 1 1 44 44 VAL CA C 44 67.150 67.150 66.899 0.251 18713 233 1 . 1 1 44 44 VAL CB C 44 31.250 31.250 31.000 0.250 18713 234 1 . 1 1 44 44 VAL H H 44 8.415 8.415 8.193 0.222 18713 235 1 . 1 1 45 45 GLY N N 45 106.020 106.020 107.780 -1.760 18713 236 1 . 1 1 45 45 GLY C C 45 176.070 176.070 175.869 0.201 18713 237 1 . 1 1 45 45 GLY CA C 45 47.410 47.410 46.990 0.420 18713 238 1 . 1 1 45 45 GLY H H 45 7.747 7.747 7.968 -0.221 18713 239 1 . 1 1 46 46 LEU N N 46 122.340 122.340 123.704 -1.364 18713 240 1 . 1 1 46 46 LEU HA H 46 4.002 4.002 4.012 -0.010 18713 241 1 . 1 1 46 46 LEU C C 46 179.520 179.520 178.390 1.129 18713 242 1 . 1 1 46 46 LEU CA C 46 57.410 57.410 57.375 0.035 18713 243 1 . 1 1 46 46 LEU CB C 46 42.350 42.350 41.953 0.396 18713 244 1 . 1 1 46 46 LEU H H 46 7.802 7.802 7.802 -0.000 18713 245 1 . 1 1 47 47 LEU N N 47 118.450 118.450 120.505 -2.055 18713 246 1 . 1 1 47 47 LEU HA H 47 4.169 4.169 4.027 0.142 18713 247 1 . 1 1 47 47 LEU C C 47 178.210 178.210 178.601 -0.391 18713 248 1 . 1 1 47 47 LEU CA C 47 56.950 56.950 58.073 -1.123 18713 249 1 . 1 1 47 47 LEU CB C 47 41.850 41.850 41.623 0.227 18713 250 1 . 1 1 47 47 LEU H H 47 8.082 8.082 8.569 -0.487 18713 251 1 . 1 1 48 48 GLU N N 48 116.980 116.980 116.720 0.261 18713 252 1 . 1 1 48 48 GLU HA H 48 4.142 4.142 3.965 0.177 18713 253 1 . 1 1 48 48 GLU C C 48 177.120 177.120 178.644 -1.524 18713 254 1 . 1 1 48 48 GLU CA C 48 57.450 57.450 58.926 -1.476 18713 255 1 . 1 1 48 48 GLU CB C 48 30.010 30.010 29.512 0.498 18713 256 1 . 1 1 48 48 GLU H H 48 7.870 7.870 8.349 -0.479 18713 257 1 . 1 1 49 49 HIS N N 49 114.660 114.660 116.994 -2.334 18713 258 1 . 1 1 49 49 HIS HA H 49 4.878 4.878 4.513 0.366 18713 259 1 . 1 1 49 49 HIS C C 49 174.070 174.070 176.740 -2.670 18713 260 1 . 1 1 49 49 HIS CA C 49 55.760 55.760 57.766 -2.006 18713 261 1 . 1 1 49 49 HIS CB C 49 29.880 29.880 30.375 -0.495 18713 262 1 . 1 1 49 49 HIS H H 49 7.833 7.833 7.972 -0.139 18713 263 1 . 1 1 50 50 THR N N 50 113.050 113.050 113.696 -0.646 18713 264 1 . 1 1 50 50 THR HA H 50 4.571 4.571 4.138 0.433 18713 265 1 . 1 1 50 50 THR C C 50 173.390 173.390 175.185 -1.795 18713 266 1 . 1 1 50 50 THR CA C 50 61.880 61.880 63.545 -1.665 18713 267 1 . 1 1 50 50 THR CB C 50 70.350 70.350 68.409 1.942 18713 268 1 . 1 1 50 50 THR H H 50 7.871 7.871 8.232 -0.362 18713 269 1 . 1 1 51 51 ASN N N 51 119.760 119.760 120.353 -0.593 18713 270 1 . 1 1 51 51 ASN HA H 51 4.868 4.868 4.525 0.342 18713 271 1 . 1 1 51 51 ASN C C 51 175.440 175.440 176.521 -1.081 18713 272 1 . 1 1 51 51 ASN CA C 51 52.870 52.870 54.811 -1.941 18713 273 1 . 1 1 51 51 ASN CB C 51 38.470 38.470 38.036 0.434 18713 274 1 . 1 1 51 51 ASN H H 51 8.477 8.477 8.222 0.255 18713 275 1 . 1 1 52 52 LEU N N 52 121.360 121.360 119.464 1.896 18713 276 1 . 1 1 52 52 LEU HA H 52 4.144 4.144 4.158 -0.014 18713 277 1 . 1 1 52 52 LEU C C 52 177.440 177.440 178.460 -1.020 18713 278 1 . 1 1 52 52 LEU CA C 52 56.880 56.880 56.743 0.137 18713 279 1 . 1 1 52 52 LEU CB C 52 42.240 42.240 41.677 0.563 18713 280 1 . 1 1 52 52 LEU H H 52 8.089 8.089 7.794 0.295 18713 281 1 . 1 1 53 53 LEU N N 53 119.350 119.350 119.274 0.076 18713 282 1 . 1 1 53 53 LEU HA H 53 4.255 4.255 4.006 0.249 18713 283 1 . 1 1 53 53 LEU C C 53 177.360 177.360 178.194 -0.834 18713 284 1 . 1 1 53 53 LEU CA C 53 56.010 56.010 57.202 -1.192 18713 285 1 . 1 1 53 53 LEU CB C 53 41.770 41.770 40.769 1.001 18713 286 1 . 1 1 53 53 LEU H H 53 8.165 8.165 7.707 0.458 18713 287 1 . 1 1 54 54 ALA N N 54 122.310 122.310 120.945 1.365 18713 288 1 . 1 1 54 54 ALA HA H 54 4.222 4.222 4.195 0.027 18713 289 1 . 1 1 54 54 ALA C C 54 177.620 177.620 178.850 -1.230 18713 290 1 . 1 1 54 54 ALA CA C 54 53.250 53.250 54.158 -0.908 18713 291 1 . 1 1 54 54 ALA CB C 54 18.820 18.820 18.523 0.297 18713 292 1 . 1 1 54 54 ALA H H 54 7.969 7.969 7.601 0.367 18713 293 1 . 1 1 55 55 LEU N N 55 117.930 117.930 117.381 0.549 18713 294 1 . 1 1 55 55 LEU HA H 55 4.233 4.233 4.131 0.102 18713 295 1 . 1 1 55 55 LEU C C 55 176.740 176.740 177.941 -1.201 18713 296 1 . 1 1 55 55 LEU CA C 55 55.420 55.420 56.295 -0.875 18713 297 1 . 1 1 55 55 LEU CB C 55 42.350 42.350 42.055 0.295 18713 298 1 . 1 1 55 55 LEU H H 55 7.696 7.696 7.661 0.035 18713 299 1 . 1 1 56 56 HIS N N 56 117.120 117.120 115.005 2.115 18713 300 1 . 1 1 56 56 HIS HA H 56 4.665 4.665 4.458 0.207 18713 301 1 . 1 1 56 56 HIS C C 56 174.150 174.150 174.374 -0.224 18713 302 1 . 1 1 56 56 HIS CA C 56 55.420 55.420 56.764 -1.344 18713 303 1 . 1 1 56 56 HIS CB C 56 29.250 29.250 30.665 -1.415 18713 304 1 . 1 1 56 56 HIS H H 56 8.196 8.196 7.740 0.456 18713 305 1 . 1 1 57 57 LEU N N 57 120.690 120.690 120.948 -0.258 18713 306 1 . 1 1 57 57 LEU HA H 57 4.414 4.414 4.550 -0.136 18713 307 1 . 1 1 57 57 LEU C C 57 175.760 175.760 175.722 0.038 18713 308 1 . 1 1 57 57 LEU CA C 57 55.410 55.410 54.247 1.163 18713 309 1 . 1 1 57 57 LEU CB C 57 42.470 42.470 44.168 -1.698 18713 310 1 . 1 1 57 57 LEU H H 57 7.989 7.989 8.047 -0.058 18713 311 1 . 1 1 58 58 VAL N N 58 119.740 119.740 121.983 -2.243 18713 312 1 . 1 1 58 58 VAL HA H 58 4.485 4.485 4.429 0.056 18713 313 1 . 1 1 58 58 VAL C C 58 173.880 173.880 174.086 -0.206 18713 314 1 . 1 1 58 58 VAL CA C 58 59.520 59.520 58.852 0.668 18713 315 1 . 1 1 58 58 VAL CB C 58 32.710 32.710 32.818 -0.108 18713 316 1 . 1 1 58 58 VAL H H 58 7.848 7.848 8.266 -0.418 18713 317 1 . 1 1 59 59 PRO HA H 59 4.449 4.449 4.503 -0.054 18713 318 1 . 1 1 59 59 PRO C C 59 174.250 174.250 176.325 -2.075 18713 319 1 . 1 1 59 59 PRO CA C 59 63.200 63.200 63.158 0.042 18713 320 1 . 1 1 59 59 PRO CB C 59 32.120 32.120 32.305 -0.185 18713 321 1 . 1 1 60 60 ARG N N 60 121.450 121.450 123.895 -2.445 18713 322 1 . 1 1 60 60 ARG HA H 60 4.335 4.335 4.330 0.004 18713 323 1 . 1 1 60 60 ARG C C 60 176.620 176.620 177.184 -0.564 18713 324 1 . 1 1 60 60 ARG CA C 60 56.460 56.460 56.255 0.205 18713 325 1 . 1 1 60 60 ARG CB C 60 30.720 30.720 30.231 0.489 18713 326 1 . 1 1 60 60 ARG H H 60 8.397 8.397 8.522 -0.125 18713 327 1 . 1 1 61 61 GLY N N 61 110.770 110.770 108.551 2.219 18713 328 1 . 1 1 61 61 GLY C C 61 174.090 174.090 174.829 -0.739 18713 329 1 . 1 1 61 61 GLY CA C 61 45.650 45.650 45.428 0.222 18713 330 1 . 1 1 61 61 GLY H H 61 8.541 8.541 8.252 0.289 18713 331 1 . 1 1 62 62 SER N N 62 115.890 115.890 115.503 0.387 18713 332 1 . 1 1 62 62 SER HA H 62 4.470 4.470 4.349 0.121 18713 333 1 . 1 1 62 62 SER C C 62 174.270 174.270 175.066 -0.796 18713 334 1 . 1 1 62 62 SER CA C 62 58.750 58.750 59.549 -0.799 18713 335 1 . 1 1 62 62 SER CB C 62 64.100 64.100 63.377 0.723 18713 336 1 . 1 1 62 62 SER H H 62 8.145 8.145 8.092 0.053 18713 337 1 . 1 1 63 63 LYS N N 63 122.680 122.680 120.417 2.263 18713 338 1 . 1 1 63 63 LYS HA H 63 4.372 4.372 4.198 0.174 18713 339 1 . 1 1 63 63 LYS C C 63 175.950 175.950 176.364 -0.415 18713 340 1 . 1 1 63 63 LYS CA C 63 56.120 56.120 56.956 -0.837 18713 341 1 . 1 1 63 63 LYS CB C 63 32.830 32.830 32.394 0.436 18713 342 1 . 1 1 63 63 LYS H H 63 8.336 8.336 8.117 0.219 18713 343 1 . 1 1 64 64 ARG N N 64 120.930 120.930 119.111 1.819 18713 344 1 . 1 1 64 64 ARG HA H 64 4.395 4.395 4.192 0.203 18713 345 1 . 1 1 64 64 ARG C C 64 175.550 175.550 175.799 -0.249 18713 346 1 . 1 1 64 64 ARG CA C 64 56.350 56.350 56.931 -0.581 18713 347 1 . 1 1 64 64 ARG CB C 64 30.950 30.950 29.921 1.029 18713 348 1 . 1 1 64 64 ARG H H 64 8.187 8.187 8.151 0.036 18713 349 1 . 1 1 65 65 ILE N N 65 121.120 121.120 121.210 -0.090 18713 350 1 . 1 1 65 65 ILE HA H 65 4.255 4.255 4.242 0.013 18713 351 1 . 1 1 65 65 ILE C C 65 175.880 175.880 176.040 -0.160 18713 352 1 . 1 1 65 65 ILE CA C 65 61.170 61.170 61.419 -0.249 18713 353 1 . 1 1 65 65 ILE CB C 65 38.820 38.820 38.080 0.740 18713 354 1 . 1 1 65 65 ILE H H 65 8.165 8.165 8.308 -0.143 18713 355 1 . 1 1 66 66 SER N N 66 120.720 120.720 117.123 3.597 18713 356 1 . 1 1 66 66 SER HA H 66 4.511 4.511 4.318 0.193 18713 357 1 . 1 1 66 66 SER C C 66 174.490 174.490 175.098 -0.608 18713 358 1 . 1 1 66 66 SER CA C 66 58.580 58.580 59.245 -0.665 18713 359 1 . 1 1 66 66 SER CB C 66 64.110 64.110 63.144 0.966 18713 360 1 . 1 1 66 66 SER H H 66 8.346 8.346 8.442 -0.096 18713 361 1 . 1 1 67 67 GLY N N 67 110.050 110.050 108.836 1.214 18713 362 1 . 1 1 67 67 GLY C C 67 175.840 175.840 173.427 2.413 18713 363 1 . 1 1 67 67 GLY CA C 67 45.480 45.480 44.780 0.700 18713 364 1 . 1 1 67 67 GLY H H 67 8.275 8.275 7.993 0.282 18713 365 1 . 1 1 68 68 LEU N N 68 120.990 120.990 122.577 -1.587 18713 366 1 . 1 1 68 68 LEU HA H 68 4.492 4.492 4.500 -0.008 18713 367 1 . 1 1 68 68 LEU C C 68 177.450 177.450 177.596 -0.146 18713 368 1 . 1 1 68 68 LEU CA C 68 55.410 55.410 54.359 1.051 18713 369 1 . 1 1 68 68 LEU CB C 68 42.710 42.710 41.829 0.881 18713 370 1 . 1 1 68 68 LEU H H 68 8.057 8.057 8.291 -0.234 18713 371 1 . 1 1 70 70 TYR HA H 70 4.039 4.039 4.168 -0.129 18713 372 1 . 1 1 70 70 TYR CA C 70 61.650 61.650 62.133 -0.483 18713 373 1 . 1 1 70 70 TYR CB C 70 38.250 38.250 37.594 0.656 18713 374 1 . 1 1 71 71 GLU N N 71 117.580 117.580 119.414 -1.834 18713 375 1 . 1 1 71 71 GLU HA H 71 4.173 4.173 4.032 0.141 18713 376 1 . 1 1 71 71 GLU CA C 71 60.120 60.120 59.937 0.183 18713 377 1 . 1 1 71 71 GLU CB C 71 29.080 29.080 29.008 0.072 18713 378 1 . 1 1 71 71 GLU H H 71 8.999 8.999 8.801 0.198 18713 379 1 . 1 1 72 72 GLU N N 72 119.620 119.620 119.705 -0.085 18713 380 1 . 1 1 72 72 GLU HA H 72 4.165 4.165 4.059 0.106 18713 381 1 . 1 1 72 72 GLU C C 72 178.090 178.090 179.421 -1.331 18713 382 1 . 1 1 72 72 GLU CA C 72 58.350 58.350 59.340 -0.990 18713 383 1 . 1 1 72 72 GLU CB C 72 29.880 29.880 29.691 0.189 18713 384 1 . 1 1 72 72 GLU H H 72 7.760 7.760 7.894 -0.134 18713 385 1 . 1 1 73 73 VAL N N 73 117.510 117.510 119.695 -2.185 18713 386 1 . 1 1 73 73 VAL HA H 73 3.757 3.757 3.628 0.129 18713 387 1 . 1 1 73 73 VAL C C 73 176.620 176.620 178.113 -1.493 18713 388 1 . 1 1 73 73 VAL CA C 73 65.450 65.450 66.535 -1.085 18713 389 1 . 1 1 73 73 VAL CB C 73 31.540 31.540 31.382 0.158 18713 390 1 . 1 1 73 73 VAL H H 73 7.869 7.869 8.287 -0.418 18713 391 1 . 1 1 74 74 ARG N N 74 120.440 120.440 119.933 0.507 18713 392 1 . 1 1 74 74 ARG HA H 74 3.649 3.649 3.963 -0.314 18713 393 1 . 1 1 74 74 ARG C C 74 176.860 176.860 178.504 -1.644 18713 394 1 . 1 1 74 74 ARG CA C 74 59.950 59.950 59.733 0.217 18713 395 1 . 1 1 74 74 ARG CB C 74 30.070 30.070 30.022 0.048 18713 396 1 . 1 1 74 74 ARG H H 74 8.335 8.335 8.365 -0.030 18713 397 1 . 1 1 75 75 ALA N N 75 119.490 119.490 121.660 -2.170 18713 398 1 . 1 1 75 75 ALA HA H 75 4.157 4.157 4.190 -0.033 18713 399 1 . 1 1 75 75 ALA C C 75 180.380 180.380 179.736 0.644 18713 400 1 . 1 1 75 75 ALA CA C 75 55.540 55.540 54.914 0.626 18713 401 1 . 1 1 75 75 ALA CB C 75 18.320 18.320 18.389 -0.069 18713 402 1 . 1 1 75 75 ALA H H 75 7.725 7.725 8.358 -0.633 18713 403 1 . 1 1 76 76 VAL N N 76 116.910 116.910 119.425 -2.515 18713 404 1 . 1 1 76 76 VAL HA H 76 4.125 4.125 3.757 0.368 18713 405 1 . 1 1 76 76 VAL C C 76 178.340 178.340 177.597 0.743 18713 406 1 . 1 1 76 76 VAL CA C 76 64.950 64.950 65.936 -0.986 18713 407 1 . 1 1 76 76 VAL CB C 76 31.820 31.820 31.768 0.051 18713 408 1 . 1 1 76 76 VAL H H 76 7.814 7.814 8.024 -0.210 18713 409 1 . 1 1 77 77 LEU N N 77 121.020 121.020 120.502 0.518 18713 410 1 . 1 1 77 77 LEU HA H 77 4.425 4.425 3.901 0.524 18713 411 1 . 1 1 77 77 LEU C C 77 177.930 177.930 178.456 -0.526 18713 412 1 . 1 1 77 77 LEU CA C 77 57.250 57.250 58.229 -0.979 18713 413 1 . 1 1 77 77 LEU CB C 77 43.010 43.010 41.354 1.656 18713 414 1 . 1 1 77 77 LEU H H 77 8.389 8.389 8.236 0.153 18713 415 1 . 1 1 78 78 LYS N N 78 120.530 120.530 120.289 0.241 18713 416 1 . 1 1 78 78 LYS HA H 78 3.907 3.907 4.059 -0.152 18713 417 1 . 1 1 78 78 LYS C C 78 177.320 177.320 178.485 -1.165 18713 418 1 . 1 1 78 78 LYS CA C 78 61.350 61.350 60.504 0.846 18713 419 1 . 1 1 78 78 LYS CB C 78 32.450 32.450 32.103 0.347 18713 420 1 . 1 1 78 78 LYS H H 78 8.757 8.757 8.335 0.421 18713 421 1 . 1 1 79 79 SER N N 79 113.040 113.040 115.192 -2.152 18713 422 1 . 1 1 79 79 SER HA H 79 4.270 4.270 4.133 0.137 18713 423 1 . 1 1 79 79 SER C C 79 177.320 177.320 176.466 0.854 18713 424 1 . 1 1 79 79 SER CA C 79 62.250 62.250 61.649 0.601 18713 425 1 . 1 1 79 79 SER CB C 79 63.050 63.050 62.929 0.121 18713 426 1 . 1 1 79 79 SER H H 79 8.055 8.055 7.751 0.304 18713 427 1 . 1 1 80 80 PHE N N 80 123.520 123.520 123.305 0.215 18713 428 1 . 1 1 80 80 PHE HA H 80 4.255 4.255 4.217 0.038 18713 429 1 . 1 1 80 80 PHE C C 80 176.480 176.480 177.060 -0.580 18713 430 1 . 1 1 80 80 PHE CA C 80 60.650 60.650 61.212 -0.562 18713 431 1 . 1 1 80 80 PHE CB C 80 39.450 39.450 38.935 0.515 18713 432 1 . 1 1 80 80 PHE H H 80 7.734 7.734 8.033 -0.299 18713 433 1 . 1 1 81 81 LEU N N 81 119.370 119.370 119.630 -0.260 18713 434 1 . 1 1 81 81 LEU HA H 81 3.558 3.558 3.406 0.152 18713 435 1 . 1 1 81 81 LEU C C 81 178.280 178.280 179.105 -0.824 18713 436 1 . 1 1 81 81 LEU CA C 81 57.650 57.650 58.235 -0.585 18713 437 1 . 1 1 81 81 LEU CB C 81 42.750 42.750 41.536 1.214 18713 438 1 . 1 1 81 81 LEU H H 81 8.693 8.693 9.013 -0.320 18713 439 1 . 1 1 82 82 GLU N N 82 118.350 118.350 118.741 -0.391 18713 440 1 . 1 1 82 82 GLU HA H 82 3.785 3.785 3.887 -0.102 18713 441 1 . 1 1 82 82 GLU C C 82 177.870 177.870 179.255 -1.385 18713 442 1 . 1 1 82 82 GLU CA C 82 60.550 60.550 59.481 1.069 18713 443 1 . 1 1 82 82 GLU CB C 82 29.280 29.280 28.953 0.327 18713 444 1 . 1 1 82 82 GLU H H 82 8.869 8.869 8.718 0.151 18713 445 1 . 1 1 83 83 SER N N 83 113.610 113.610 115.251 -1.641 18713 446 1 . 1 1 83 83 SER HA H 83 4.165 4.165 4.161 0.004 18713 447 1 . 1 1 83 83 SER C C 83 177.830 177.830 176.696 1.134 18713 448 1 . 1 1 83 83 SER CA C 83 61.150 61.150 61.578 -0.428 18713 449 1 . 1 1 83 83 SER CB C 83 62.750 62.750 62.832 -0.082 18713 450 1 . 1 1 83 83 SER H H 83 7.474 7.474 8.277 -0.803 18713 451 1 . 1 1 84 84 VAL N N 84 121.040 121.040 122.292 -1.252 18713 452 1 . 1 1 84 84 VAL HA H 84 3.660 3.660 3.564 0.096 18713 453 1 . 1 1 84 84 VAL C C 84 179.270 179.270 178.000 1.270 18713 454 1 . 1 1 84 84 VAL CA C 84 65.750 65.750 66.654 -0.904 18713 455 1 . 1 1 84 84 VAL CB C 84 32.030 32.030 31.095 0.935 18713 456 1 . 1 1 84 84 VAL H H 84 7.668 7.668 8.029 -0.361 18713 457 1 . 1 1 85 85 ILE N N 85 123.350 123.350 119.804 3.546 18713 458 1 . 1 1 85 85 ILE HA H 85 3.537 3.537 3.597 -0.060 18713 459 1 . 1 1 85 85 ILE C C 85 176.550 176.550 178.163 -1.613 18713 460 1 . 1 1 85 85 ILE CA C 85 66.710 66.710 65.304 1.406 18713 461 1 . 1 1 85 85 ILE CB C 85 36.210 36.210 37.273 -1.063 18713 462 1 . 1 1 85 85 ILE H H 85 9.086 9.086 7.980 1.106 18713 463 1 . 1 1 86 86 ARG N N 86 120.150 120.150 119.582 0.568 18713 464 1 . 1 1 86 86 ARG HA H 86 3.802 3.802 3.953 -0.151 18713 465 1 . 1 1 86 86 ARG C C 86 178.920 178.920 178.900 0.020 18713 466 1 . 1 1 86 86 ARG CA C 86 59.980 59.980 59.818 0.162 18713 467 1 . 1 1 86 86 ARG CB C 86 29.650 29.650 29.788 -0.138 18713 468 1 . 1 1 86 86 ARG H H 86 8.125 8.125 7.729 0.396 18713 469 1 . 1 1 87 87 ASP N N 87 118.810 118.810 119.412 -0.601 18713 470 1 . 1 1 87 87 ASP HA H 87 4.537 4.537 4.539 -0.002 18713 471 1 . 1 1 87 87 ASP C C 87 178.050 178.050 178.763 -0.713 18713 472 1 . 1 1 87 87 ASP CA C 87 57.140 57.140 56.889 0.251 18713 473 1 . 1 1 87 87 ASP CB C 87 40.520 40.520 40.321 0.199 18713 474 1 . 1 1 87 87 ASP H H 87 7.668 7.668 8.370 -0.702 18713 475 1 . 1 1 88 88 SER N N 88 119.350 119.350 116.891 2.459 18713 476 1 . 1 1 88 88 SER HA H 88 4.166 4.166 4.790 -0.624 18713 477 1 . 1 1 88 88 SER C C 88 175.350 175.350 176.594 -1.244 18713 478 1 . 1 1 88 88 SER CA C 88 57.170 57.170 61.623 -4.454 18713 479 1 . 1 1 88 88 SER CB C 88 64.050 64.050 63.261 0.789 18713 480 1 . 1 1 88 88 SER H H 88 8.506 8.506 8.287 0.219 18713 481 1 . 1 1 89 89 VAL N N 89 121.240 121.240 122.851 -1.611 18713 482 1 . 1 1 89 89 VAL HA H 89 3.611 3.611 3.953 -0.342 18713 483 1 . 1 1 89 89 VAL C C 89 177.440 177.440 178.275 -0.835 18713 484 1 . 1 1 89 89 VAL CA C 89 65.990 65.990 66.216 -0.226 18713 485 1 . 1 1 89 89 VAL CB C 89 31.240 31.240 31.432 -0.192 18713 486 1 . 1 1 89 89 VAL H H 89 8.505 8.505 8.774 -0.269 18713 487 1 . 1 1 90 90 THR N N 90 117.040 117.040 117.567 -0.527 18713 488 1 . 1 1 90 90 THR HA H 90 4.013 4.013 3.956 0.057 18713 489 1 . 1 1 90 90 THR C C 90 177.410 177.410 176.898 0.512 18713 490 1 . 1 1 90 90 THR CA C 90 66.550 66.550 67.343 -0.793 18713 491 1 . 1 1 90 90 THR CB C 90 68.220 68.220 68.577 -0.357 18713 492 1 . 1 1 90 90 THR H H 90 8.016 8.016 7.642 0.374 18713 493 1 . 1 1 91 91 TYR N N 91 122.770 122.770 120.376 2.394 18713 494 1 . 1 1 91 91 TYR HA H 91 4.162 4.162 4.399 -0.237 18713 495 1 . 1 1 91 91 TYR C C 91 178.180 178.180 178.459 -0.279 18713 496 1 . 1 1 91 91 TYR CA C 91 62.470 62.470 61.331 1.139 18713 497 1 . 1 1 91 91 TYR CB C 91 38.030 38.030 37.933 0.097 18713 498 1 . 1 1 91 91 TYR H H 91 7.822 7.822 8.112 -0.290 18713 499 1 . 1 1 92 92 THR N N 92 119.350 119.350 113.503 5.847 18713 500 1 . 1 1 92 92 THR HA H 92 3.678 3.678 4.037 -0.359 18713 501 1 . 1 1 92 92 THR C C 92 175.880 175.880 177.201 -1.321 18713 502 1 . 1 1 92 92 THR CA C 92 67.390 67.390 66.410 0.980 18713 503 1 . 1 1 92 92 THR CB C 92 69.190 69.190 68.532 0.658 18713 504 1 . 1 1 92 92 THR H H 92 8.160 8.160 8.755 -0.595 18713 505 1 . 1 1 93 93 GLU N N 93 118.840 118.840 122.234 -3.394 18713 506 1 . 1 1 93 93 GLU HA H 93 4.238 4.238 4.060 0.178 18713 507 1 . 1 1 93 93 GLU C C 93 181.340 181.340 179.324 2.016 18713 508 1 . 1 1 93 93 GLU CA C 93 58.290 58.290 59.377 -1.087 18713 509 1 . 1 1 93 93 GLU CB C 93 28.890 28.890 28.988 -0.098 18713 510 1 . 1 1 93 93 GLU H H 93 8.514 8.514 8.933 -0.419 18713 511 1 . 1 1 94 94 HIS N N 94 120.870 120.870 120.138 0.732 18713 512 1 . 1 1 94 94 HIS HA H 94 4.465 4.465 4.347 0.118 18713 513 1 . 1 1 94 94 HIS C C 94 175.390 175.390 175.598 -0.208 18713 514 1 . 1 1 94 94 HIS CA C 94 58.250 58.250 58.919 -0.669 18713 515 1 . 1 1 94 94 HIS CB C 94 28.110 28.110 30.008 -1.898 18713 516 1 . 1 1 94 94 HIS H H 94 8.531 8.531 8.237 0.294 18713 517 1 . 1 1 95 95 ALA N N 95 121.010 121.010 119.801 1.209 18713 518 1 . 1 1 95 95 ALA HA H 95 4.335 4.335 4.465 -0.130 18713 519 1 . 1 1 95 95 ALA C C 95 175.380 175.380 175.698 -0.318 18713 520 1 . 1 1 95 95 ALA CA C 95 51.750 51.750 51.379 0.371 18713 521 1 . 1 1 95 95 ALA CB C 95 18.710 18.710 19.243 -0.533 18713 522 1 . 1 1 95 95 ALA H H 95 7.525 7.525 7.661 -0.136 18713 523 1 . 1 1 96 96 LYS N N 96 115.990 115.990 114.700 1.290 18713 524 1 . 1 1 96 96 LYS HA H 96 3.955 3.955 3.844 0.111 18713 525 1 . 1 1 96 96 LYS C C 96 175.020 175.020 176.064 -1.044 18713 526 1 . 1 1 96 96 LYS CA C 96 56.590 56.590 57.340 -0.751 18713 527 1 . 1 1 96 96 LYS CB C 96 28.650 28.650 29.326 -0.676 18713 528 1 . 1 1 96 96 LYS H H 96 8.232 8.232 8.029 0.203 18713 529 1 . 1 1 97 97 ARG N N 97 116.850 116.850 119.844 -2.994 18713 530 1 . 1 1 97 97 ARG HA H 97 4.651 4.651 4.397 0.254 18713 531 1 . 1 1 97 97 ARG C C 97 175.250 175.250 175.181 0.068 18713 532 1 . 1 1 97 97 ARG CA C 97 55.010 55.010 54.931 0.079 18713 533 1 . 1 1 97 97 ARG CB C 97 35.170 35.170 32.757 2.413 18713 534 1 . 1 1 97 97 ARG H H 97 7.685 7.685 8.436 -0.751 18713 535 1 . 1 1 98 98 LYS N N 98 115.990 115.990 120.768 -4.778 18713 536 1 . 1 1 98 98 LYS HA H 98 4.409 4.409 4.582 -0.173 18713 537 1 . 1 1 98 98 LYS C C 98 174.320 174.320 174.590 -0.270 18713 538 1 . 1 1 98 98 LYS CA C 98 54.500 54.500 55.648 -1.149 18713 539 1 . 1 1 98 98 LYS CB C 98 33.590 33.590 32.063 1.527 18713 540 1 . 1 1 98 98 LYS H H 98 8.232 8.232 8.371 -0.139 18713 541 1 . 1 1 99 99 THR N N 99 114.310 114.310 114.780 -0.470 18713 542 1 . 1 1 99 99 THR HA H 99 4.769 4.769 4.780 -0.011 18713 543 1 . 1 1 99 99 THR C C 99 172.170 172.170 172.887 -0.717 18713 544 1 . 1 1 99 99 THR CA C 99 60.510 60.510 61.682 -1.172 18713 545 1 . 1 1 99 99 THR CB C 99 70.180 70.180 72.334 -2.154 18713 546 1 . 1 1 99 99 THR H H 99 6.768 6.768 7.826 -1.058 18713 547 1 . 1 1 100 100 VAL N N 100 128.820 128.820 124.818 4.002 18713 548 1 . 1 1 100 100 VAL HA H 100 3.987 3.987 4.172 -0.185 18713 549 1 . 1 1 100 100 VAL C C 100 175.690 175.690 174.710 0.980 18713 550 1 . 1 1 100 100 VAL CA C 100 61.950 61.950 60.638 1.312 18713 551 1 . 1 1 100 100 VAL CB C 100 32.290 32.290 32.355 -0.065 18713 552 1 . 1 1 100 100 VAL H H 100 8.690 8.690 9.086 -0.396 18713 553 1 . 1 1 101 101 THR N N 101 118.310 118.310 116.064 2.246 18713 554 1 . 1 1 101 101 THR HA H 101 4.798 4.798 4.718 0.080 18713 555 1 . 1 1 101 101 THR C C 101 176.460 176.460 175.154 1.306 18713 556 1 . 1 1 101 101 THR CA C 101 59.990 59.990 59.458 0.532 18713 557 1 . 1 1 101 101 THR CB C 101 72.550 72.550 71.769 0.781 18713 558 1 . 1 1 101 101 THR H H 101 9.263 9.263 8.223 1.040 18713 559 1 . 1 1 102 102 SER N N 102 115.810 115.810 118.790 -2.980 18713 560 1 . 1 1 102 102 SER HA H 102 3.913 3.913 4.135 -0.222 18713 561 1 . 1 1 102 102 SER C C 102 175.210 175.210 175.928 -0.718 18713 562 1 . 1 1 102 102 SER CA C 102 61.850 61.850 61.099 0.751 18713 563 1 . 1 1 102 102 SER CB C 102 61.850 61.850 62.663 -0.813 18713 564 1 . 1 1 102 102 SER H H 102 9.148 9.148 8.854 0.294 18713 565 1 . 1 1 103 103 LEU N N 103 121.540 121.540 123.229 -1.689 18713 566 1 . 1 1 103 103 LEU HA H 103 3.965 3.965 3.936 0.029 18713 567 1 . 1 1 103 103 LEU C C 103 177.780 177.780 177.903 -0.122 18713 568 1 . 1 1 103 103 LEU CA C 103 57.630 57.630 57.637 -0.007 18713 569 1 . 1 1 103 103 LEU CB C 103 41.430 41.430 41.179 0.251 18713 570 1 . 1 1 103 103 LEU H H 103 7.389 7.389 7.566 -0.177 18713 571 1 . 1 1 104 104 ASP N N 104 120.260 120.260 118.597 1.663 18713 572 1 . 1 1 104 104 ASP HA H 104 4.240 4.240 3.882 0.358 18713 573 1 . 1 1 104 104 ASP C C 104 177.230 177.230 178.487 -1.257 18713 574 1 . 1 1 104 104 ASP CA C 104 58.140 58.140 56.780 1.360 18713 575 1 . 1 1 104 104 ASP CB C 104 41.050 41.050 40.542 0.508 18713 576 1 . 1 1 104 104 ASP H H 104 7.240 7.240 7.510 -0.270 18713 577 1 . 1 1 105 105 VAL N N 105 118.230 118.230 120.162 -1.932 18713 578 1 . 1 1 105 105 VAL HA H 105 4.025 4.025 3.657 0.368 18713 579 1 . 1 1 105 105 VAL C C 105 177.550 177.550 177.970 -0.420 18713 580 1 . 1 1 105 105 VAL CA C 105 65.270 65.270 66.560 -1.290 18713 581 1 . 1 1 105 105 VAL CB C 105 31.570 31.570 31.536 0.034 18713 582 1 . 1 1 105 105 VAL H H 105 7.150 7.150 7.547 -0.397 18713 583 1 . 1 1 106 106 VAL N N 106 120.450 120.450 120.609 -0.159 18713 584 1 . 1 1 106 106 VAL HA H 106 3.512 3.512 3.635 -0.123 18713 585 1 . 1 1 106 106 VAL C C 106 178.520 178.520 178.362 0.159 18713 586 1 . 1 1 106 106 VAL CA C 106 67.440 67.440 66.953 0.488 18713 587 1 . 1 1 106 106 VAL CB C 106 31.770 31.770 31.455 0.315 18713 588 1 . 1 1 106 106 VAL H H 106 8.380 8.380 7.930 0.450 18713 589 1 . 1 1 107 107 TYR N N 107 120.160 120.160 119.052 1.108 18713 590 1 . 1 1 107 107 TYR HA H 107 4.113 4.113 4.077 0.036 18713 591 1 . 1 1 107 107 TYR C C 107 177.950 177.950 177.971 -0.021 18713 592 1 . 1 1 107 107 TYR CA C 107 60.150 60.150 59.405 0.745 18713 593 1 . 1 1 107 107 TYR CB C 107 36.210 36.210 36.365 -0.154 18713 594 1 . 1 1 107 107 TYR H H 107 8.246 8.246 8.122 0.124 18713 595 1 . 1 1 108 108 ALA N N 108 123.660 123.660 122.347 1.313 18713 596 1 . 1 1 108 108 ALA HA H 108 4.018 4.018 4.186 -0.167 18713 597 1 . 1 1 108 108 ALA C C 108 180.350 180.350 179.931 0.419 18713 598 1 . 1 1 108 108 ALA CA C 108 55.670 55.670 55.093 0.577 18713 599 1 . 1 1 108 108 ALA CB C 108 20.650 20.650 18.394 2.256 18713 600 1 . 1 1 108 108 ALA H H 108 7.912 7.912 8.317 -0.405 18713 601 1 . 1 1 109 109 LEU N N 109 119.820 119.820 119.083 0.737 18713 602 1 . 1 1 109 109 LEU HA H 109 3.887 3.887 4.103 -0.216 18713 603 1 . 1 1 109 109 LEU C C 109 179.290 179.290 178.992 0.298 18713 604 1 . 1 1 109 109 LEU CA C 109 57.870 57.870 57.531 0.339 18713 605 1 . 1 1 109 109 LEU CB C 109 41.430 41.430 41.912 -0.482 18713 606 1 . 1 1 109 109 LEU H H 109 8.727 8.727 8.443 0.284 18713 607 1 . 1 1 110 110 LYS N N 110 120.420 120.420 120.041 0.379 18713 608 1 . 1 1 110 110 LYS HA H 110 4.158 4.158 4.217 -0.059 18713 609 1 . 1 1 110 110 LYS C C 110 179.470 179.470 179.690 -0.220 18713 610 1 . 1 1 110 110 LYS CA C 110 58.850 58.850 59.433 -0.583 18713 611 1 . 1 1 110 110 LYS CB C 110 32.050 32.050 32.435 -0.385 18713 612 1 . 1 1 110 110 LYS H H 110 8.180 8.180 8.377 -0.197 18713 613 1 . 1 1 111 111 ARG N N 111 119.820 119.820 117.203 2.617 18713 614 1 . 1 1 111 111 ARG HA H 111 4.142 4.142 4.235 -0.093 18713 615 1 . 1 1 111 111 ARG C C 111 177.240 177.240 178.329 -1.089 18713 616 1 . 1 1 111 111 ARG CA C 111 58.150 58.150 58.186 -0.035 18713 617 1 . 1 1 111 111 ARG CB C 111 29.810 29.810 29.775 0.035 18713 618 1 . 1 1 111 111 ARG H H 111 7.765 7.765 7.899 -0.134 18713 619 1 . 1 1 112 112 GLN N N 112 116.120 116.120 118.348 -2.228 18713 620 1 . 1 1 112 112 GLN HA H 112 4.435 4.435 4.283 0.152 18713 621 1 . 1 1 112 112 GLN C C 112 176.060 176.060 176.370 -0.310 18713 622 1 . 1 1 112 112 GLN CA C 112 55.550 55.550 56.494 -0.944 18713 623 1 . 1 1 112 112 GLN CB C 112 28.760 28.760 29.216 -0.456 18713 624 1 . 1 1 112 112 GLN H H 112 7.856 7.856 7.706 0.150 18713 625 1 . 1 1 113 113 GLY N N 113 108.070 108.070 106.611 1.459 18713 626 1 . 1 1 113 113 GLY C C 113 174.240 174.240 174.216 0.024 18713 627 1 . 1 1 113 113 GLY CA C 113 45.953 45.953 44.738 1.215 18713 628 1 . 1 1 113 113 GLY H H 113 8.048 8.048 7.716 0.332 18713 629 1 . 1 1 114 114 ARG N N 114 119.710 119.710 120.374 -0.664 18713 630 1 . 1 1 114 114 ARG HA H 114 4.565 4.565 4.592 -0.027 18713 631 1 . 1 1 114 114 ARG C C 114 175.490 175.490 176.494 -1.004 18713 632 1 . 1 1 114 114 ARG CA C 114 57.950 57.950 55.020 2.930 18713 633 1 . 1 1 114 114 ARG CB C 114 31.510 31.510 31.673 -0.163 18713 634 1 . 1 1 114 114 ARG H H 114 8.116 8.116 7.839 0.277 18713 635 1 . 1 1 115 115 THR N N 115 114.890 114.890 112.601 2.289 18713 636 1 . 1 1 115 115 THR HA H 115 4.262 4.262 4.021 0.241 18713 637 1 . 1 1 115 115 THR C C 115 173.460 173.460 174.101 -0.641 18713 638 1 . 1 1 115 115 THR CA C 115 61.820 61.820 62.818 -0.998 18713 639 1 . 1 1 115 115 THR CB C 115 70.050 70.050 68.298 1.752 18713 640 1 . 1 1 115 115 THR H H 115 8.143 8.143 8.456 -0.313 18713 641 1 . 1 1 116 116 LEU N N 116 124.070 124.070 122.312 1.758 18713 642 1 . 1 1 116 116 LEU HA H 116 4.425 4.425 4.260 0.165 18713 643 1 . 1 1 116 116 LEU C C 116 175.830 175.830 177.520 -1.690 18713 644 1 . 1 1 116 116 LEU CA C 116 54.760 54.760 55.560 -0.800 18713 645 1 . 1 1 116 116 LEU CB C 116 43.280 43.280 41.989 1.291 18713 646 1 . 1 1 116 116 LEU H H 116 8.143 8.143 8.038 0.105 18713 647 1 . 1 1 117 117 TYR N N 117 121.630 121.630 121.463 0.167 18713 648 1 . 1 1 117 117 TYR HA H 117 4.550 4.550 4.404 0.146 18713 649 1 . 1 1 117 117 TYR C C 117 175.830 175.830 176.220 -0.390 18713 650 1 . 1 1 117 117 TYR CA C 117 58.140 58.140 58.566 -0.426 18713 651 1 . 1 1 117 117 TYR CB C 117 38.850 38.850 38.035 0.815 18713 652 1 . 1 1 117 117 TYR H H 117 8.213 8.213 8.502 -0.289 18713 653 1 . 1 1 118 118 GLY N N 118 110.050 110.050 105.344 4.706 18713 654 1 . 1 1 118 118 GLY C C 118 173.660 173.660 174.509 -0.849 18713 655 1 . 1 1 118 118 GLY CA C 118 45.470 45.470 45.128 0.342 18713 656 1 . 1 1 118 118 GLY H H 118 8.275 8.275 8.065 0.210 18713 657 1 . 1 1 119 119 PHE N N 119 119.610 119.610 120.465 -0.855 18713 658 1 . 1 1 119 119 PHE HA H 119 4.612 4.612 4.494 0.118 18713 659 1 . 1 1 119 119 PHE C C 119 175.280 175.280 176.706 -1.426 18713 660 1 . 1 1 119 119 PHE CA C 119 58.060 58.060 58.602 -0.542 18713 661 1 . 1 1 119 119 PHE CB C 119 40.050 40.050 39.287 0.763 18713 662 1 . 1 1 119 119 PHE H H 119 8.033 8.033 7.994 0.039 18713 663 1 . 1 1 120 120 GLY N N 120 110.930 110.930 107.947 2.983 18713 664 1 . 1 1 120 120 GLY C C 120 173.050 173.050 174.408 -1.358 18713 665 1 . 1 1 120 120 GLY CA C 120 45.650 45.650 44.772 0.878 18713 666 1 . 1 1 120 120 GLY H H 120 8.334 8.334 8.009 0.325 18713 stop_ save_