data_18250 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18250 _Entry.PDB_ID 2LPC 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 18250 _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 SER N N 2 122.263 122.263 114.418 7.845 18250 2 1 1 . 1 1 2 2 SER HA H 2 4.270 4.270 4.708 -0.438 18250 3 1 1 . 1 1 2 2 SER CA C 2 59.961 59.961 59.214 0.747 18250 4 1 1 . 1 1 2 2 SER CB C 2 64.958 64.958 64.088 0.870 18250 5 1 1 . 1 1 2 2 SER H H 2 7.955 7.955 8.222 -0.267 18250 6 1 1 . 1 1 3 3 GLN HA H 3 4.387 4.387 4.332 0.055 18250 7 1 1 . 1 1 3 3 GLN C C 3 179.078 179.078 177.081 1.997 18250 8 1 1 . 1 1 3 3 GLN CA C 3 56.616 56.616 58.522 -1.906 18250 9 1 1 . 1 1 3 3 GLN CB C 3 29.224 29.224 28.529 0.695 18250 10 1 1 . 1 1 4 4 SER N N 4 117.102 117.102 112.106 4.996 18250 11 1 1 . 1 1 4 4 SER HA H 4 4.465 4.465 4.483 -0.018 18250 12 1 1 . 1 1 4 4 SER C C 4 175.930 175.930 176.020 -0.090 18250 13 1 1 . 1 1 4 4 SER CA C 4 58.994 58.994 60.774 -1.780 18250 14 1 1 . 1 1 4 4 SER CB C 4 63.490 63.490 62.815 0.675 18250 15 1 1 . 1 1 4 4 SER H H 4 8.647 8.647 8.386 0.261 18250 16 1 1 . 1 1 5 5 ASN N N 5 122.476 122.476 120.571 1.905 18250 17 1 1 . 1 1 5 5 ASN HA H 5 4.744 4.744 4.651 0.093 18250 18 1 1 . 1 1 5 5 ASN C C 5 177.378 177.378 177.160 0.218 18250 19 1 1 . 1 1 5 5 ASN CA C 5 56.150 56.150 55.517 0.632 18250 20 1 1 . 1 1 5 5 ASN CB C 5 38.363 38.363 38.578 -0.215 18250 21 1 1 . 1 1 5 5 ASN H H 5 8.603 8.603 7.956 0.647 18250 22 1 1 . 1 1 6 6 ARG N N 6 120.024 120.024 120.056 -0.032 18250 23 1 1 . 1 1 6 6 ARG HA H 6 3.927 3.927 4.099 -0.172 18250 24 1 1 . 1 1 6 6 ARG C C 6 177.331 177.331 177.485 -0.154 18250 25 1 1 . 1 1 6 6 ARG CA C 6 59.861 59.861 59.617 0.243 18250 26 1 1 . 1 1 6 6 ARG CB C 6 29.756 29.756 30.151 -0.395 18250 27 1 1 . 1 1 6 6 ARG H H 6 8.252 8.252 7.580 0.672 18250 28 1 1 . 1 1 7 7 GLU N N 7 117.799 117.799 119.642 -1.843 18250 29 1 1 . 1 1 7 7 GLU HA H 7 3.907 3.907 4.026 -0.119 18250 30 1 1 . 1 1 7 7 GLU C C 7 179.388 179.388 179.156 0.232 18250 31 1 1 . 1 1 7 7 GLU CA C 7 59.380 59.380 59.376 0.004 18250 32 1 1 . 1 1 7 7 GLU CB C 7 29.624 29.624 29.230 0.394 18250 33 1 1 . 1 1 7 7 GLU H H 7 7.953 7.953 7.553 0.400 18250 34 1 1 . 1 1 8 8 LEU N N 8 119.794 119.794 118.254 1.540 18250 35 1 1 . 1 1 8 8 LEU HA H 8 3.875 3.875 4.140 -0.265 18250 36 1 1 . 1 1 8 8 LEU C C 8 178.368 178.368 178.233 0.135 18250 37 1 1 . 1 1 8 8 LEU CA C 8 58.116 58.116 57.018 1.098 18250 38 1 1 . 1 1 8 8 LEU CB C 8 41.926 41.926 41.872 0.054 18250 39 1 1 . 1 1 8 8 LEU H H 8 7.726 7.726 7.373 0.353 18250 40 1 1 . 1 1 9 9 VAL N N 9 117.818 117.818 117.015 0.803 18250 41 1 1 . 1 1 9 9 VAL HA H 9 3.678 3.678 3.777 -0.099 18250 42 1 1 . 1 1 9 9 VAL C C 9 177.085 177.085 177.449 -0.364 18250 43 1 1 . 1 1 9 9 VAL CA C 9 67.766 67.766 64.865 2.901 18250 44 1 1 . 1 1 9 9 VAL CB C 9 32.429 32.429 32.161 0.268 18250 45 1 1 . 1 1 9 9 VAL H H 9 7.765 7.765 7.107 0.658 18250 46 1 1 . 1 1 10 10 VAL N N 10 117.317 117.317 121.009 -3.692 18250 47 1 1 . 1 1 10 10 VAL HA H 10 2.926 2.926 2.990 -0.064 18250 48 1 1 . 1 1 10 10 VAL C C 10 178.588 178.588 177.242 1.346 18250 49 1 1 . 1 1 10 10 VAL CA C 10 67.029 67.029 67.455 -0.426 18250 50 1 1 . 1 1 10 10 VAL CB C 10 31.401 31.401 31.174 0.227 18250 51 1 1 . 1 1 10 10 VAL H H 10 8.333 8.333 8.346 -0.013 18250 52 1 1 . 1 1 11 11 ASP N N 11 120.859 120.859 118.895 1.964 18250 53 1 1 . 1 1 11 11 ASP HA H 11 4.083 4.083 4.232 -0.149 18250 54 1 1 . 1 1 11 11 ASP C C 11 177.495 177.495 178.722 -1.227 18250 55 1 1 . 1 1 11 11 ASP CA C 11 58.947 58.947 57.288 1.659 18250 56 1 1 . 1 1 11 11 ASP CB C 11 43.345 43.345 40.911 2.434 18250 57 1 1 . 1 1 11 11 ASP H H 11 8.070 8.070 7.994 0.076 18250 58 1 1 . 1 1 12 12 PHE N N 12 120.293 120.293 120.785 -0.492 18250 59 1 1 . 1 1 12 12 PHE HA H 12 3.953 3.953 4.264 -0.311 18250 60 1 1 . 1 1 12 12 PHE C C 12 178.083 178.083 177.046 1.037 18250 61 1 1 . 1 1 12 12 PHE CA C 12 63.221 63.221 61.336 1.885 18250 62 1 1 . 1 1 12 12 PHE CB C 12 40.134 40.134 39.570 0.564 18250 63 1 1 . 1 1 12 12 PHE H H 12 8.327 8.327 7.323 1.004 18250 64 1 1 . 1 1 13 13 LEU N N 13 116.845 116.845 120.151 -3.306 18250 65 1 1 . 1 1 13 13 LEU HA H 13 3.990 3.990 3.989 0.001 18250 66 1 1 . 1 1 13 13 LEU C C 13 179.454 179.454 179.123 0.331 18250 67 1 1 . 1 1 13 13 LEU CA C 13 58.291 58.291 57.940 0.351 18250 68 1 1 . 1 1 13 13 LEU CB C 13 41.739 41.739 41.382 0.357 18250 69 1 1 . 1 1 13 13 LEU H H 13 8.907 8.907 8.874 0.033 18250 70 1 1 . 1 1 14 14 SER N N 14 114.306 114.306 114.897 -0.591 18250 71 1 1 . 1 1 14 14 SER HA H 14 4.257 4.257 4.245 0.012 18250 72 1 1 . 1 1 14 14 SER C C 14 177.281 177.281 176.616 0.665 18250 73 1 1 . 1 1 14 14 SER CA C 14 62.641 62.641 61.641 1.000 18250 74 1 1 . 1 1 14 14 SER CB C 14 62.594 62.594 63.035 -0.440 18250 75 1 1 . 1 1 14 14 SER H H 14 8.503 8.503 8.455 0.048 18250 76 1 1 . 1 1 15 15 TYR N N 15 124.988 124.988 123.166 1.822 18250 77 1 1 . 1 1 15 15 TYR HA H 15 4.388 4.388 4.323 0.065 18250 78 1 1 . 1 1 15 15 TYR C C 15 178.247 178.247 177.664 0.583 18250 79 1 1 . 1 1 15 15 TYR CA C 15 60.311 60.311 60.802 -0.491 18250 80 1 1 . 1 1 15 15 TYR CB C 15 37.990 37.990 38.059 -0.069 18250 81 1 1 . 1 1 15 15 TYR H H 15 8.252 8.252 7.773 0.479 18250 82 1 1 . 1 1 16 16 LYS N N 16 120.256 120.256 118.898 1.358 18250 83 1 1 . 1 1 16 16 LYS HA H 16 3.829 3.829 3.849 -0.020 18250 84 1 1 . 1 1 16 16 LYS C C 16 180.272 180.272 178.947 1.325 18250 85 1 1 . 1 1 16 16 LYS CA C 16 57.063 57.063 57.773 -0.709 18250 86 1 1 . 1 1 16 16 LYS CB C 16 29.849 29.849 32.404 -2.555 18250 87 1 1 . 1 1 16 16 LYS H H 16 8.331 8.331 7.482 0.849 18250 88 1 1 . 1 1 17 17 LEU N N 17 118.564 118.564 120.465 -1.901 18250 89 1 1 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.015 0.060 18250 90 1 1 . 1 1 17 17 LEU C C 17 179.917 179.917 178.809 1.108 18250 91 1 1 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.458 0.235 18250 92 1 1 . 1 1 17 17 LEU CB C 17 41.178 41.178 41.802 -0.624 18250 93 1 1 . 1 1 17 17 LEU H H 17 8.726 8.726 8.655 0.071 18250 94 1 1 . 1 1 18 18 SER N N 18 117.861 117.861 114.161 3.700 18250 95 1 1 . 1 1 18 18 SER HA H 18 4.696 4.696 4.316 0.380 18250 96 1 1 . 1 1 18 18 SER C C 18 178.612 178.612 176.372 2.240 18250 97 1 1 . 1 1 18 18 SER CA C 18 61.783 61.783 60.616 1.167 18250 98 1 1 . 1 1 18 18 SER CB C 18 62.613 62.613 63.209 -0.596 18250 99 1 1 . 1 1 18 18 SER H H 18 8.394 8.394 8.613 -0.219 18250 100 1 1 . 1 1 19 19 GLN N N 19 122.899 122.899 121.029 1.870 18250 101 1 1 . 1 1 19 19 GLN HA H 19 4.017 4.017 4.038 -0.021 18250 102 1 1 . 1 1 19 19 GLN C C 19 177.237 177.237 177.344 -0.107 18250 103 1 1 . 1 1 19 19 GLN CA C 19 58.536 58.536 58.039 0.497 18250 104 1 1 . 1 1 19 19 GLN CB C 19 28.795 28.795 28.491 0.304 18250 105 1 1 . 1 1 19 19 GLN H H 19 7.691 7.691 7.313 0.378 18250 106 1 1 . 1 1 20 20 LYS N N 20 116.425 116.425 115.867 0.558 18250 107 1 1 . 1 1 20 20 LYS HA H 20 4.425 4.425 4.110 0.315 18250 108 1 1 . 1 1 20 20 LYS C C 20 175.581 175.581 176.288 -0.707 18250 109 1 1 . 1 1 20 20 LYS CA C 20 54.032 54.032 55.773 -1.741 18250 110 1 1 . 1 1 20 20 LYS CB C 20 32.659 32.659 32.199 0.460 18250 111 1 1 . 1 1 20 20 LYS H H 20 7.268 7.268 7.495 -0.227 18250 112 1 1 . 1 1 21 21 GLY N N 21 105.593 105.593 106.195 -0.602 18250 113 1 1 . 1 1 21 21 GLY C C 21 174.012 174.012 174.392 -0.380 18250 114 1 1 . 1 1 21 21 GLY CA C 21 45.316 45.316 45.019 0.297 18250 115 1 1 . 1 1 21 21 GLY H H 21 7.620 7.620 7.476 0.144 18250 116 1 1 . 1 1 22 22 TYR N N 22 119.884 119.884 120.215 -0.331 18250 117 1 1 . 1 1 22 22 TYR HA H 22 5.047 5.047 4.897 0.150 18250 118 1 1 . 1 1 22 22 TYR C C 22 175.024 175.024 174.905 0.119 18250 119 1 1 . 1 1 22 22 TYR CA C 22 55.645 55.645 55.392 0.253 18250 120 1 1 . 1 1 22 22 TYR CB C 22 40.969 40.969 40.023 0.946 18250 121 1 1 . 1 1 22 22 TYR H H 22 7.892 7.892 8.105 -0.213 18250 122 1 1 . 1 1 23 23 SER N N 23 115.410 115.410 116.565 -1.155 18250 123 1 1 . 1 1 23 23 SER HA H 23 4.863 4.863 4.831 0.032 18250 124 1 1 . 1 1 23 23 SER C C 23 174.483 174.483 174.840 -0.357 18250 125 1 1 . 1 1 23 23 SER CA C 23 56.776 56.776 56.984 -0.208 18250 126 1 1 . 1 1 23 23 SER CB C 23 64.778 64.778 64.838 -0.060 18250 127 1 1 . 1 1 23 23 SER H H 23 8.561 8.561 8.605 -0.044 18250 128 1 1 . 1 1 24 24 TRP N N 24 127.533 127.533 129.276 -1.743 18250 129 1 1 . 1 1 24 24 TRP HA H 24 4.346 4.346 4.473 -0.127 18250 130 1 1 . 1 1 24 24 TRP C C 24 176.876 176.876 176.602 0.274 18250 131 1 1 . 1 1 24 24 TRP CA C 24 60.051 60.051 61.720 -1.669 18250 132 1 1 . 1 1 24 24 TRP CB C 24 30.824 30.824 30.116 0.709 18250 133 1 1 . 1 1 24 24 TRP H H 24 9.026 9.026 9.295 -0.269 18250 134 1 1 . 1 1 25 25 SER N N 25 112.236 112.236 111.591 0.645 18250 135 1 1 . 1 1 25 25 SER HA H 25 4.104 4.104 4.013 0.091 18250 136 1 1 . 1 1 25 25 SER C C 25 175.164 175.164 175.549 -0.385 18250 137 1 1 . 1 1 25 25 SER CA C 25 60.033 60.033 60.191 -0.158 18250 138 1 1 . 1 1 25 25 SER CB C 25 62.931 62.931 62.306 0.625 18250 139 1 1 . 1 1 25 25 SER H H 25 8.236 8.236 8.525 -0.289 18250 140 1 1 . 1 1 26 26 GLN N N 26 119.530 119.530 119.796 -0.266 18250 141 1 1 . 1 1 26 26 GLN HA H 26 3.895 3.895 4.005 -0.110 18250 142 1 1 . 1 1 26 26 GLN C C 26 176.075 176.075 176.492 -0.417 18250 143 1 1 . 1 1 26 26 GLN CA C 26 56.959 56.959 57.457 -0.498 18250 144 1 1 . 1 1 26 26 GLN CB C 26 28.764 28.764 28.477 0.287 18250 145 1 1 . 1 1 26 26 GLN H H 26 7.467 7.467 7.331 0.136 18250 146 1 1 . 1 1 27 27 PHE N N 27 116.668 116.668 116.439 0.229 18250 147 1 1 . 1 1 27 27 PHE HA H 27 4.594 4.594 4.616 -0.022 18250 148 1 1 . 1 1 27 27 PHE C C 27 175.107 175.107 176.269 -1.162 18250 149 1 1 . 1 1 27 27 PHE CA C 27 56.629 56.629 58.076 -1.447 18250 150 1 1 . 1 1 27 27 PHE CB C 27 39.909 39.909 40.147 -0.237 18250 151 1 1 . 1 1 27 27 PHE H H 27 7.343 7.343 7.192 0.151 18250 152 1 1 . 1 1 28 28 SER N N 28 114.121 114.121 116.305 -2.184 18250 153 1 1 . 1 1 28 28 SER HA H 28 4.151 4.151 4.323 -0.172 18250 154 1 1 . 1 1 28 28 SER C C 28 173.703 173.703 174.027 -0.324 18250 155 1 1 . 1 1 28 28 SER CA C 28 57.662 57.662 57.752 -0.090 18250 156 1 1 . 1 1 28 28 SER CB C 28 63.931 63.931 63.732 0.199 18250 157 1 1 . 1 1 28 28 SER H H 28 7.336 7.336 7.612 -0.276 18250 158 1 1 . 1 1 29 29 ASP N N 29 122.733 122.733 125.271 -2.538 18250 159 1 1 . 1 1 29 29 ASP HA H 29 4.601 4.601 4.556 0.045 18250 160 1 1 . 1 1 29 29 ASP C C 29 176.320 176.320 176.295 0.025 18250 161 1 1 . 1 1 29 29 ASP CA C 29 54.194 54.194 54.486 -0.292 18250 162 1 1 . 1 1 29 29 ASP CB C 29 41.145 41.145 40.367 0.778 18250 163 1 1 . 1 1 29 29 ASP H H 29 8.370 8.370 8.541 -0.171 18250 164 1 1 . 1 1 30 30 VAL N N 30 119.197 119.197 123.694 -4.497 18250 165 1 1 . 1 1 30 30 VAL HA H 30 4.096 4.096 3.786 0.310 18250 166 1 1 . 1 1 30 30 VAL C C 30 176.232 176.232 177.552 -1.320 18250 167 1 1 . 1 1 30 30 VAL CA C 30 62.417 62.417 65.449 -3.032 18250 168 1 1 . 1 1 30 30 VAL CB C 30 33.024 33.024 32.186 0.838 18250 169 1 1 . 1 1 30 30 VAL H H 30 7.968 7.968 7.744 0.224 18250 170 1 1 . 1 1 31 31 GLU N N 31 124.470 124.470 118.132 6.338 18250 171 1 1 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.113 0.147 18250 172 1 1 . 1 1 31 31 GLU C C 31 176.526 176.526 178.825 -2.299 18250 173 1 1 . 1 1 31 31 GLU CA C 31 56.706 56.706 59.088 -2.382 18250 174 1 1 . 1 1 31 31 GLU CB C 31 30.250 30.250 28.944 1.306 18250 175 1 1 . 1 1 31 31 GLU H H 31 8.502 8.502 8.581 -0.079 18250 176 1 1 . 1 1 32 32 GLU N N 32 122.145 122.145 118.551 3.594 18250 177 1 1 . 1 1 32 32 GLU HA H 32 4.233 4.233 4.209 0.024 18250 178 1 1 . 1 1 32 32 GLU C C 32 176.172 176.172 176.645 -0.473 18250 179 1 1 . 1 1 32 32 GLU CA C 32 56.732 56.732 57.763 -1.031 18250 180 1 1 . 1 1 32 32 GLU CB C 32 30.643 30.643 29.364 1.279 18250 181 1 1 . 1 1 32 32 GLU H H 32 8.426 8.426 8.469 -0.043 18250 182 1 1 . 1 1 33 33 ASN N N 33 119.562 119.562 117.263 2.299 18250 183 1 1 . 1 1 33 33 ASN HA H 33 4.708 4.708 4.754 -0.046 18250 184 1 1 . 1 1 33 33 ASN C C 33 174.983 174.983 173.441 1.542 18250 185 1 1 . 1 1 33 33 ASN CA C 33 53.360 53.360 53.203 0.157 18250 186 1 1 . 1 1 33 33 ASN CB C 33 38.994 38.994 39.552 -0.558 18250 187 1 1 . 1 1 33 33 ASN H H 33 8.503 8.503 7.332 1.171 18250 188 1 1 . 1 1 34 34 ARG N N 34 122.040 122.040 124.577 -2.537 18250 189 1 1 . 1 1 34 34 ARG HA H 34 4.411 4.411 4.351 0.060 18250 190 1 1 . 1 1 34 34 ARG C C 34 176.470 176.470 175.989 0.481 18250 191 1 1 . 1 1 34 34 ARG CA C 34 56.151 56.151 56.971 -0.820 18250 192 1 1 . 1 1 34 34 ARG CB C 34 30.891 30.891 30.018 0.873 18250 193 1 1 . 1 1 34 34 ARG H H 34 8.330 8.330 8.417 -0.087 18250 194 1 1 . 1 1 35 35 THR N N 35 115.850 115.850 121.356 -5.506 18250 195 1 1 . 1 1 35 35 THR HA H 35 4.329 4.329 4.423 -0.094 18250 196 1 1 . 1 1 35 35 THR C C 35 174.429 174.429 174.133 0.296 18250 197 1 1 . 1 1 35 35 THR CA C 35 62.079 62.079 61.444 0.635 18250 198 1 1 . 1 1 35 35 THR CB C 35 69.825 69.825 69.222 0.604 18250 199 1 1 . 1 1 35 35 THR H H 35 8.283 8.283 8.394 -0.111 18250 200 1 1 . 1 1 36 36 GLU N N 36 123.074 123.074 128.721 -5.647 18250 201 1 1 . 1 1 36 36 GLU HA H 36 4.311 4.311 4.399 -0.088 18250 202 1 1 . 1 1 36 36 GLU C C 36 175.641 175.641 175.060 0.581 18250 203 1 1 . 1 1 36 36 GLU CA C 36 56.396 56.396 56.068 0.328 18250 204 1 1 . 1 1 36 36 GLU CB C 36 30.379 30.379 30.879 -0.500 18250 205 1 1 . 1 1 36 36 GLU H H 36 8.402 8.402 8.528 -0.126 18250 206 1 1 . 1 1 37 37 ALA N N 37 126.190 126.190 129.612 -3.422 18250 207 1 1 . 1 1 37 37 ALA HA H 37 4.613 4.613 4.684 -0.071 18250 208 1 1 . 1 1 37 37 ALA C C 37 175.419 175.419 175.831 -0.412 18250 209 1 1 . 1 1 37 37 ALA CA C 37 50.532 50.532 49.664 0.868 18250 210 1 1 . 1 1 37 37 ALA CB C 37 18.633 18.633 18.938 -0.305 18250 211 1 1 . 1 1 37 37 ALA H H 37 8.314 8.314 8.477 -0.163 18250 212 1 1 . 1 1 38 38 PRO HA H 38 4.427 4.427 4.489 -0.062 18250 213 1 1 . 1 1 38 38 PRO C C 38 177.029 177.029 175.913 1.116 18250 214 1 1 . 1 1 38 38 PRO CA C 38 63.216 63.216 61.800 1.416 18250 215 1 1 . 1 1 38 38 PRO CB C 38 32.134 32.134 32.675 -0.541 18250 216 1 1 . 1 1 39 39 GLU N N 39 121.295 121.295 119.385 1.910 18250 217 1 1 . 1 1 39 39 GLU HA H 39 4.301 4.301 4.271 0.030 18250 218 1 1 . 1 1 39 39 GLU C C 39 177.079 177.079 177.113 -0.034 18250 219 1 1 . 1 1 39 39 GLU CA C 39 56.836 56.836 56.249 0.587 18250 220 1 1 . 1 1 39 39 GLU CB C 39 30.441 30.441 30.251 0.190 18250 221 1 1 . 1 1 39 39 GLU H H 39 8.640 8.640 8.487 0.153 18250 222 1 1 . 1 1 40 40 GLY N N 40 110.317 110.317 116.352 -6.035 18250 223 1 1 . 1 1 40 40 GLY C C 40 174.602 174.602 174.962 -0.360 18250 224 1 1 . 1 1 40 40 GLY CA C 40 45.485 45.485 44.988 0.497 18250 225 1 1 . 1 1 40 40 GLY H H 40 8.521 8.521 9.013 -0.492 18250 226 1 1 . 1 1 41 41 THR N N 41 113.178 113.178 121.124 -7.946 18250 227 1 1 . 1 1 41 41 THR HA H 41 4.385 4.385 4.072 0.313 18250 228 1 1 . 1 1 41 41 THR C C 41 175.499 175.499 176.518 -1.019 18250 229 1 1 . 1 1 41 41 THR CA C 41 62.273 62.273 65.771 -3.498 18250 230 1 1 . 1 1 41 41 THR CB C 41 69.917 69.917 68.965 0.952 18250 231 1 1 . 1 1 41 41 THR H H 41 8.268 8.268 8.149 0.119 18250 232 1 1 . 1 1 42 42 GLU N N 42 123.140 123.140 121.899 1.241 18250 233 1 1 . 1 1 42 42 GLU HA H 42 4.371 4.371 4.192 0.179 18250 234 1 1 . 1 1 42 42 GLU C C 42 177.161 177.161 178.191 -1.030 18250 235 1 1 . 1 1 42 42 GLU CA C 42 57.492 57.492 58.788 -1.296 18250 236 1 1 . 1 1 42 42 GLU CB C 42 29.924 29.924 29.198 0.726 18250 237 1 1 . 1 1 42 42 GLU H H 42 8.847 8.847 8.857 -0.010 18250 238 1 1 . 1 1 43 43 SER N N 43 115.679 115.679 114.595 1.084 18250 239 1 1 . 1 1 43 43 SER HA H 43 4.430 4.430 3.992 0.438 18250 240 1 1 . 1 1 43 43 SER C C 43 175.673 175.673 176.103 -0.430 18250 241 1 1 . 1 1 43 43 SER CA C 43 58.925 58.925 61.369 -2.444 18250 242 1 1 . 1 1 43 43 SER CB C 43 63.710 63.710 62.771 0.939 18250 243 1 1 . 1 1 43 43 SER H H 43 8.510 8.510 8.672 -0.162 18250 244 1 1 . 1 1 44 44 GLU N N 44 123.102 123.102 121.664 1.438 18250 245 1 1 . 1 1 44 44 GLU HA H 44 3.992 3.992 4.046 -0.054 18250 246 1 1 . 1 1 44 44 GLU C C 44 177.924 177.924 177.415 0.509 18250 247 1 1 . 1 1 44 44 GLU CA C 44 59.074 59.074 58.697 0.377 18250 248 1 1 . 1 1 44 44 GLU CB C 44 29.413 29.413 29.601 -0.188 18250 249 1 1 . 1 1 44 44 GLU H H 44 8.350 8.350 7.766 0.584 18250 250 1 1 . 1 1 45 45 ALA N N 45 120.958 120.958 121.068 -0.110 18250 251 1 1 . 1 1 45 45 ALA HA H 45 4.131 4.131 4.145 -0.014 18250 252 1 1 . 1 1 45 45 ALA C C 45 180.641 180.641 178.944 1.697 18250 253 1 1 . 1 1 45 45 ALA CA C 45 55.157 55.157 54.694 0.463 18250 254 1 1 . 1 1 45 45 ALA CB C 45 18.575 18.575 19.302 -0.727 18250 255 1 1 . 1 1 45 45 ALA H H 45 8.227 8.227 7.510 0.717 18250 256 1 1 . 1 1 46 46 VAL N N 46 118.867 118.867 119.699 -0.832 18250 257 1 1 . 1 1 46 46 VAL HA H 46 3.496 3.496 3.537 -0.041 18250 258 1 1 . 1 1 46 46 VAL C C 46 176.724 176.724 176.792 -0.068 18250 259 1 1 . 1 1 46 46 VAL CA C 46 66.189 66.189 65.513 0.676 18250 260 1 1 . 1 1 46 46 VAL CB C 46 31.811 31.811 31.312 0.499 18250 261 1 1 . 1 1 46 46 VAL H H 46 7.569 7.569 7.607 -0.038 18250 262 1 1 . 1 1 47 47 LYS N N 47 117.922 117.922 119.047 -1.125 18250 263 1 1 . 1 1 47 47 LYS HA H 47 3.719 3.719 3.820 -0.101 18250 264 1 1 . 1 1 47 47 LYS C C 47 178.888 178.888 178.576 0.312 18250 265 1 1 . 1 1 47 47 LYS CA C 47 59.801 59.801 59.929 -0.128 18250 266 1 1 . 1 1 47 47 LYS CB C 47 32.514 32.514 32.138 0.376 18250 267 1 1 . 1 1 47 47 LYS H H 47 7.437 7.437 7.865 -0.428 18250 268 1 1 . 1 1 48 48 GLN N N 48 116.490 116.490 118.278 -1.788 18250 269 1 1 . 1 1 48 48 GLN HA H 48 3.712 3.712 4.056 -0.344 18250 270 1 1 . 1 1 48 48 GLN C C 48 177.625 177.625 177.493 0.132 18250 271 1 1 . 1 1 48 48 GLN CA C 48 59.027 59.027 58.338 0.689 18250 272 1 1 . 1 1 48 48 GLN CB C 48 28.103 28.103 27.860 0.243 18250 273 1 1 . 1 1 48 48 GLN H H 48 8.168 8.168 7.490 0.678 18250 274 1 1 . 1 1 49 49 ALA N N 49 120.362 120.362 124.185 -3.823 18250 275 1 1 . 1 1 49 49 ALA HA H 49 4.227 4.227 3.885 0.342 18250 276 1 1 . 1 1 49 49 ALA C C 49 179.807 179.807 179.488 0.319 18250 277 1 1 . 1 1 49 49 ALA CA C 49 54.930 54.930 55.090 -0.160 18250 278 1 1 . 1 1 49 49 ALA CB C 49 18.708 18.708 18.146 0.562 18250 279 1 1 . 1 1 49 49 ALA H H 49 7.789 7.789 8.205 -0.416 18250 280 1 1 . 1 1 50 50 LEU N N 50 120.591 120.591 117.765 2.826 18250 281 1 1 . 1 1 50 50 LEU HA H 50 4.151 4.151 4.063 0.088 18250 282 1 1 . 1 1 50 50 LEU C C 50 179.225 179.225 179.035 0.190 18250 283 1 1 . 1 1 50 50 LEU CA C 50 58.581 58.581 57.239 1.341 18250 284 1 1 . 1 1 50 50 LEU CB C 50 42.279 42.279 40.095 2.184 18250 285 1 1 . 1 1 50 50 LEU H H 50 8.491 8.491 8.537 -0.046 18250 286 1 1 . 1 1 51 51 ARG N N 51 118.934 118.934 120.566 -1.632 18250 287 1 1 . 1 1 51 51 ARG HA H 51 3.772 3.772 4.180 -0.408 18250 288 1 1 . 1 1 51 51 ARG C C 51 178.618 178.618 178.729 -0.111 18250 289 1 1 . 1 1 51 51 ARG CA C 51 60.954 60.954 59.706 1.248 18250 290 1 1 . 1 1 51 51 ARG CB C 51 30.888 30.888 30.059 0.829 18250 291 1 1 . 1 1 51 51 ARG H H 51 8.170 8.170 7.761 0.409 18250 292 1 1 . 1 1 52 52 GLU N N 52 116.532 116.532 118.041 -1.509 18250 293 1 1 . 1 1 52 52 GLU HA H 52 4.156 4.156 4.135 0.021 18250 294 1 1 . 1 1 52 52 GLU C C 52 179.937 179.937 178.338 1.599 18250 295 1 1 . 1 1 52 52 GLU CA C 52 59.383 59.383 58.474 0.909 18250 296 1 1 . 1 1 52 52 GLU CB C 52 29.640 29.640 29.430 0.210 18250 297 1 1 . 1 1 52 52 GLU H H 52 7.914 7.914 8.253 -0.339 18250 298 1 1 . 1 1 53 53 ALA N N 53 123.226 123.226 122.574 0.652 18250 299 1 1 . 1 1 53 53 ALA HA H 53 4.473 4.473 3.211 1.262 18250 300 1 1 . 1 1 53 53 ALA C C 53 181.683 181.683 179.113 2.570 18250 301 1 1 . 1 1 53 53 ALA CA C 53 55.114 55.114 54.491 0.623 18250 302 1 1 . 1 1 53 53 ALA CB C 53 19.476 19.476 18.104 1.372 18250 303 1 1 . 1 1 53 53 ALA H H 53 8.902 8.902 8.120 0.782 18250 304 1 1 . 1 1 54 54 GLY N N 54 108.711 108.711 105.584 3.127 18250 305 1 1 . 1 1 54 54 GLY C C 54 175.330 175.330 175.553 -0.223 18250 306 1 1 . 1 1 54 54 GLY CA C 54 47.111 47.111 46.907 0.204 18250 307 1 1 . 1 1 54 54 GLY H H 54 9.186 9.186 8.716 0.470 18250 308 1 1 . 1 1 55 55 ASP N N 55 122.891 122.891 120.908 1.983 18250 309 1 1 . 1 1 55 55 ASP C C 55 179.023 179.023 177.545 1.478 18250 310 1 1 . 1 1 55 55 ASP CA C 55 57.752 57.752 57.035 0.717 18250 311 1 1 . 1 1 55 55 ASP CB C 55 39.839 39.839 41.070 -1.231 18250 312 1 1 . 1 1 55 55 ASP H H 55 8.224 8.224 7.294 0.930 18250 313 1 1 . 1 1 56 56 GLU N N 56 120.753 120.753 120.415 0.338 18250 314 1 1 . 1 1 56 56 GLU HA H 56 4.180 4.180 4.119 0.061 18250 315 1 1 . 1 1 56 56 GLU C C 56 178.472 178.472 178.856 -0.384 18250 316 1 1 . 1 1 56 56 GLU CA C 56 59.600 59.600 59.149 0.451 18250 317 1 1 . 1 1 56 56 GLU CB C 56 29.782 29.782 30.032 -0.250 18250 318 1 1 . 1 1 56 56 GLU H H 56 8.282 8.282 7.582 0.700 18250 319 1 1 . 1 1 57 57 PHE N N 57 121.604 121.604 119.792 1.812 18250 320 1 1 . 1 1 57 57 PHE HA H 57 4.341 4.341 4.386 -0.045 18250 321 1 1 . 1 1 57 57 PHE C C 57 177.008 177.008 177.579 -0.571 18250 322 1 1 . 1 1 57 57 PHE CA C 57 61.915 61.915 62.037 -0.122 18250 323 1 1 . 1 1 57 57 PHE CB C 57 40.025 40.025 39.576 0.449 18250 324 1 1 . 1 1 57 57 PHE H H 57 8.671 8.671 8.970 -0.299 18250 325 1 1 . 1 1 58 58 GLU N N 58 116.765 116.765 119.588 -2.823 18250 326 1 1 . 1 1 58 58 GLU HA H 58 3.667 3.667 3.997 -0.330 18250 327 1 1 . 1 1 58 58 GLU C C 58 177.661 177.661 177.852 -0.191 18250 328 1 1 . 1 1 58 58 GLU CA C 58 58.795 58.795 58.990 -0.195 18250 329 1 1 . 1 1 58 58 GLU CB C 58 29.783 29.783 29.725 0.058 18250 330 1 1 . 1 1 58 58 GLU H H 58 8.136 8.136 7.736 0.401 18250 331 1 1 . 1 1 59 59 LEU N N 59 117.344 117.344 118.288 -0.944 18250 332 1 1 . 1 1 59 59 LEU HA H 59 4.201 4.201 4.171 0.030 18250 333 1 1 . 1 1 59 59 LEU C C 59 178.953 178.953 178.519 0.434 18250 334 1 1 . 1 1 59 59 LEU CA C 59 56.973 56.973 56.727 0.246 18250 335 1 1 . 1 1 59 59 LEU CB C 59 42.976 42.976 42.196 0.780 18250 336 1 1 . 1 1 59 59 LEU H H 59 7.513 7.513 7.989 -0.476 18250 337 1 1 . 1 1 60 60 ARG N N 60 117.779 117.779 117.454 0.325 18250 338 1 1 . 1 1 60 60 ARG HA H 60 3.957 3.957 4.243 -0.286 18250 339 1 1 . 1 1 60 60 ARG C C 60 177.342 177.342 176.836 0.506 18250 340 1 1 . 1 1 60 60 ARG CA C 60 57.901 57.901 56.906 0.995 18250 341 1 1 . 1 1 60 60 ARG CB C 60 31.153 31.153 31.638 -0.485 18250 342 1 1 . 1 1 60 60 ARG H H 60 8.072 8.072 7.683 0.389 18250 343 1 1 . 1 1 61 61 TYR N N 61 119.056 119.056 117.328 1.728 18250 344 1 1 . 1 1 61 61 TYR HA H 61 4.744 4.744 4.655 0.089 18250 345 1 1 . 1 1 61 61 TYR C C 61 175.214 175.214 175.253 -0.039 18250 346 1 1 . 1 1 61 61 TYR CA C 61 56.294 56.294 56.513 -0.219 18250 347 1 1 . 1 1 61 61 TYR CB C 61 37.024 37.024 37.943 -0.919 18250 348 1 1 . 1 1 61 61 TYR H H 61 8.050 8.050 8.049 0.001 18250 349 1 1 . 1 1 62 62 ARG N N 62 119.956 119.956 122.812 -2.856 18250 350 1 1 . 1 1 62 62 ARG HA H 62 4.058 4.058 3.999 0.059 18250 351 1 1 . 1 1 62 62 ARG C C 62 178.183 178.183 177.852 0.331 18250 352 1 1 . 1 1 62 62 ARG CA C 62 59.025 59.025 60.212 -1.187 18250 353 1 1 . 1 1 62 62 ARG CB C 62 30.139 30.139 30.193 -0.054 18250 354 1 1 . 1 1 62 62 ARG H H 62 7.419 7.419 8.234 -0.815 18250 355 1 1 . 1 1 63 63 ARG HA H 63 4.222 4.222 4.170 0.052 18250 356 1 1 . 1 1 63 63 ARG C C 63 177.387 177.387 177.986 -0.599 18250 357 1 1 . 1 1 63 63 ARG CA C 63 57.730 57.730 58.810 -1.080 18250 358 1 1 . 1 1 63 63 ARG CB C 63 29.179 29.179 29.045 0.134 18250 359 1 1 . 1 1 64 64 ALA N N 64 122.003 122.003 121.820 0.183 18250 360 1 1 . 1 1 64 64 ALA HA H 64 4.100 4.100 4.166 -0.066 18250 361 1 1 . 1 1 64 64 ALA C C 64 179.975 179.975 179.411 0.564 18250 362 1 1 . 1 1 64 64 ALA CA C 64 54.579 54.579 54.841 -0.262 18250 363 1 1 . 1 1 64 64 ALA CB C 64 18.636 18.636 18.224 0.412 18250 364 1 1 . 1 1 64 64 ALA H H 64 7.868 7.868 8.060 -0.192 18250 365 1 1 . 1 1 65 65 PHE N N 65 115.858 115.858 119.043 -3.185 18250 366 1 1 . 1 1 65 65 PHE HA H 65 4.800 4.800 4.516 0.284 18250 367 1 1 . 1 1 65 65 PHE C C 65 177.376 177.376 177.675 -0.299 18250 368 1 1 . 1 1 65 65 PHE CA C 65 58.222 58.222 61.699 -3.477 18250 369 1 1 . 1 1 65 65 PHE CB C 65 38.877 38.877 39.396 -0.519 18250 370 1 1 . 1 1 65 65 PHE H H 65 8.579 8.579 8.932 -0.353 18250 371 1 1 . 1 1 66 66 SER N N 66 116.942 116.942 116.521 0.421 18250 372 1 1 . 1 1 66 66 SER HA H 66 4.223 4.223 4.224 -0.001 18250 373 1 1 . 1 1 66 66 SER C C 66 176.472 176.472 176.588 -0.116 18250 374 1 1 . 1 1 66 66 SER CA C 66 61.764 61.764 62.468 -0.704 18250 375 1 1 . 1 1 66 66 SER CB C 66 63.012 63.012 62.969 0.043 18250 376 1 1 . 1 1 66 66 SER H H 66 8.232 8.232 8.080 0.152 18250 377 1 1 . 1 1 67 67 ASP N N 67 121.623 121.623 122.772 -1.149 18250 378 1 1 . 1 1 67 67 ASP HA H 67 4.487 4.487 4.440 0.047 18250 379 1 1 . 1 1 67 67 ASP C C 67 178.404 178.404 178.752 -0.348 18250 380 1 1 . 1 1 67 67 ASP CA C 67 56.827 56.827 57.625 -0.798 18250 381 1 1 . 1 1 67 67 ASP CB C 67 40.176 40.176 40.923 -0.747 18250 382 1 1 . 1 1 67 67 ASP H H 67 8.476 8.476 7.907 0.569 18250 383 1 1 . 1 1 68 68 LEU N N 68 121.200 121.200 118.840 2.360 18250 384 1 1 . 1 1 68 68 LEU HA H 68 4.104 4.104 3.870 0.234 18250 385 1 1 . 1 1 68 68 LEU C C 68 179.046 179.046 178.459 0.587 18250 386 1 1 . 1 1 68 68 LEU CA C 68 57.972 57.972 57.382 0.590 18250 387 1 1 . 1 1 68 68 LEU CB C 68 42.555 42.555 41.621 0.934 18250 388 1 1 . 1 1 68 68 LEU H H 68 7.889 7.889 8.522 -0.633 18250 389 1 1 . 1 1 69 69 THR N N 69 110.282 110.282 111.363 -1.081 18250 390 1 1 . 1 1 69 69 THR HA H 69 4.086 4.086 3.652 0.434 18250 391 1 1 . 1 1 69 69 THR C C 69 177.457 177.457 176.532 0.925 18250 392 1 1 . 1 1 69 69 THR CA C 69 65.839 65.839 65.692 0.147 18250 393 1 1 . 1 1 69 69 THR CB C 69 68.442 68.442 68.386 0.056 18250 394 1 1 . 1 1 69 69 THR H H 69 8.493 8.493 8.012 0.481 18250 395 1 1 . 1 1 70 70 SER N N 70 116.582 116.582 117.042 -0.460 18250 396 1 1 . 1 1 70 70 SER HA H 70 4.330 4.330 4.321 0.009 18250 397 1 1 . 1 1 70 70 SER C C 70 175.607 175.607 176.814 -1.207 18250 398 1 1 . 1 1 70 70 SER CA C 70 60.676 60.676 61.502 -0.826 18250 399 1 1 . 1 1 70 70 SER CB C 70 63.301 63.301 63.073 0.228 18250 400 1 1 . 1 1 70 70 SER H H 70 7.754 7.754 7.578 0.176 18250 401 1 1 . 1 1 71 71 GLN N N 71 119.129 119.129 122.212 -3.083 18250 402 1 1 . 1 1 71 71 GLN HA H 71 4.108 4.108 4.105 0.003 18250 403 1 1 . 1 1 71 71 GLN C C 71 176.338 176.338 176.626 -0.288 18250 404 1 1 . 1 1 71 71 GLN CA C 71 57.407 57.407 58.179 -0.772 18250 405 1 1 . 1 1 71 71 GLN CB C 71 29.533 29.533 28.753 0.780 18250 406 1 1 . 1 1 71 71 GLN H H 71 7.754 7.754 7.490 0.264 18250 407 1 1 . 1 1 72 72 LEU N N 72 118.804 118.804 117.923 0.881 18250 408 1 1 . 1 1 72 72 LEU HA H 72 4.312 4.312 4.382 -0.070 18250 409 1 1 . 1 1 72 72 LEU C C 72 174.285 174.285 175.790 -1.505 18250 410 1 1 . 1 1 72 72 LEU CA C 72 55.437 55.437 53.325 2.112 18250 411 1 1 . 1 1 72 72 LEU CB C 72 43.888 43.888 42.084 1.804 18250 412 1 1 . 1 1 72 72 LEU H H 72 7.577 7.577 7.233 0.344 18250 413 1 1 . 1 1 73 73 HIS HA H 73 4.644 4.644 4.334 0.310 18250 414 1 1 . 1 1 73 73 HIS C C 73 174.452 174.452 175.242 -0.790 18250 415 1 1 . 1 1 73 73 HIS CA C 73 54.964 54.964 56.788 -1.824 18250 416 1 1 . 1 1 73 73 HIS CB C 73 28.747 28.747 29.129 -0.382 18250 417 1 1 . 1 1 74 74 ILE N N 74 122.470 122.470 128.104 -5.634 18250 418 1 1 . 1 1 74 74 ILE HA H 74 4.207 4.207 4.033 0.174 18250 419 1 1 . 1 1 74 74 ILE CA C 74 61.962 61.962 62.057 -0.095 18250 420 1 1 . 1 1 74 74 ILE CB C 74 38.952 38.952 38.813 0.139 18250 421 1 1 . 1 1 74 74 ILE H H 74 8.767 8.767 7.792 0.975 18250 422 1 1 . 1 1 75 75 THR N N 75 120.535 120.535 122.558 -2.023 18250 423 1 1 . 1 1 75 75 THR HA H 75 4.325 4.325 4.977 -0.652 18250 424 1 1 . 1 1 75 75 THR H H 75 7.953 7.953 8.978 -1.025 18250 425 1 1 . 1 1 77 77 GLY CA C 77 44.791 44.791 45.104 -0.313 18250 426 1 1 . 1 1 78 78 THR N N 78 130.040 130.040 118.267 11.773 18250 427 1 1 . 1 1 78 78 THR HA H 78 4.147 4.147 4.086 0.061 18250 428 1 1 . 1 1 78 78 THR H H 78 8.795 8.795 7.822 0.973 18250 429 1 1 . 1 1 79 79 ALA HA H 79 4.827 4.827 4.464 0.363 18250 430 1 1 . 1 1 79 79 ALA C C 79 177.644 177.644 177.802 -0.158 18250 431 1 1 . 1 1 79 79 ALA CA C 79 51.117 51.117 51.714 -0.597 18250 432 1 1 . 1 1 79 79 ALA CB C 79 21.518 21.518 20.230 1.288 18250 433 1 1 . 1 1 80 80 TYR N N 80 121.374 121.374 123.537 -2.163 18250 434 1 1 . 1 1 80 80 TYR HA H 80 4.648 4.648 3.355 1.293 18250 435 1 1 . 1 1 80 80 TYR C C 80 176.560 176.560 177.001 -0.441 18250 436 1 1 . 1 1 80 80 TYR CA C 80 60.846 60.846 61.233 -0.387 18250 437 1 1 . 1 1 80 80 TYR CB C 80 38.165 38.165 38.266 -0.101 18250 438 1 1 . 1 1 80 80 TYR H H 80 8.858 8.858 8.863 -0.005 18250 439 1 1 . 1 1 81 81 GLN N N 81 115.124 115.124 119.015 -3.891 18250 440 1 1 . 1 1 81 81 GLN HA H 81 3.802 3.802 3.818 -0.016 18250 441 1 1 . 1 1 81 81 GLN C C 81 178.330 178.330 178.362 -0.032 18250 442 1 1 . 1 1 81 81 GLN CA C 81 59.911 59.911 58.842 1.069 18250 443 1 1 . 1 1 81 81 GLN CB C 81 28.016 28.016 27.410 0.606 18250 444 1 1 . 1 1 81 81 GLN H H 81 8.532 8.532 8.570 -0.038 18250 445 1 1 . 1 1 82 82 SER N N 82 114.423 114.423 114.736 -0.313 18250 446 1 1 . 1 1 82 82 SER HA H 82 4.253 4.253 4.107 0.146 18250 447 1 1 . 1 1 82 82 SER CA C 82 62.089 62.089 60.734 1.355 18250 448 1 1 . 1 1 82 82 SER CB C 82 63.338 63.338 62.751 0.587 18250 449 1 1 . 1 1 82 82 SER H H 82 7.356 7.356 7.447 -0.091 18250 450 1 1 . 1 1 83 83 PHE HA H 83 3.937 3.937 4.018 -0.081 18250 451 1 1 . 1 1 83 83 PHE C C 83 175.136 175.136 176.560 -1.424 18250 452 1 1 . 1 1 83 83 PHE CA C 83 61.335 61.335 60.911 0.423 18250 453 1 1 . 1 1 83 83 PHE CB C 83 39.433 39.433 39.028 0.405 18250 454 1 1 . 1 1 84 84 GLU N N 84 119.917 119.917 119.136 0.781 18250 455 1 1 . 1 1 84 84 GLU HA H 84 3.331 3.331 3.579 -0.248 18250 456 1 1 . 1 1 84 84 GLU C C 84 177.012 177.012 178.383 -1.371 18250 457 1 1 . 1 1 84 84 GLU CA C 84 59.146 59.146 59.251 -0.105 18250 458 1 1 . 1 1 84 84 GLU CB C 84 30.460 30.460 29.241 1.219 18250 459 1 1 . 1 1 84 84 GLU H H 84 8.659 8.659 8.168 0.491 18250 460 1 1 . 1 1 85 85 GLN N N 85 115.027 115.027 116.466 -1.439 18250 461 1 1 . 1 1 85 85 GLN HA H 85 3.888 3.888 3.996 -0.108 18250 462 1 1 . 1 1 85 85 GLN C C 85 178.571 178.571 177.965 0.606 18250 463 1 1 . 1 1 85 85 GLN CA C 85 59.103 59.103 57.725 1.378 18250 464 1 1 . 1 1 85 85 GLN CB C 85 28.586 28.586 28.334 0.252 18250 465 1 1 . 1 1 85 85 GLN H H 85 7.592 7.592 7.575 0.017 18250 466 1 1 . 1 1 86 86 VAL N N 86 118.481 118.481 116.692 1.789 18250 467 1 1 . 1 1 86 86 VAL HA H 86 3.644 3.644 3.751 -0.107 18250 468 1 1 . 1 1 86 86 VAL C C 86 177.898 177.898 178.110 -0.212 18250 469 1 1 . 1 1 86 86 VAL CA C 86 66.100 66.100 65.108 0.992 18250 470 1 1 . 1 1 86 86 VAL CB C 86 31.799 31.799 32.137 -0.338 18250 471 1 1 . 1 1 86 86 VAL H H 86 7.164 7.164 7.036 0.128 18250 472 1 1 . 1 1 87 87 VAL N N 87 119.825 119.825 116.734 3.091 18250 473 1 1 . 1 1 87 87 VAL HA H 87 3.028 3.028 3.536 -0.508 18250 474 1 1 . 1 1 87 87 VAL C C 87 177.853 177.853 176.943 0.910 18250 475 1 1 . 1 1 87 87 VAL CA C 87 66.394 66.394 64.670 1.724 18250 476 1 1 . 1 1 87 87 VAL CB C 87 31.044 31.044 30.521 0.523 18250 477 1 1 . 1 1 87 87 VAL H H 87 7.980 7.980 7.672 0.308 18250 478 1 1 . 1 1 88 88 ASN N N 88 117.625 117.625 119.485 -1.860 18250 479 1 1 . 1 1 88 88 ASN HA H 88 4.283 4.283 4.353 -0.070 18250 480 1 1 . 1 1 88 88 ASN C C 88 178.987 178.987 176.934 2.053 18250 481 1 1 . 1 1 88 88 ASN CA C 88 55.449 55.449 56.374 -0.925 18250 482 1 1 . 1 1 88 88 ASN CB C 88 37.329 37.329 38.238 -0.909 18250 483 1 1 . 1 1 88 88 ASN H H 88 8.437 8.437 8.422 0.015 18250 484 1 1 . 1 1 89 89 GLU N N 89 118.940 118.940 118.748 0.192 18250 485 1 1 . 1 1 89 89 GLU HA H 89 4.001 4.001 4.118 -0.117 18250 486 1 1 . 1 1 89 89 GLU C C 89 179.305 179.305 178.705 0.600 18250 487 1 1 . 1 1 89 89 GLU CA C 89 59.016 59.016 58.273 0.743 18250 488 1 1 . 1 1 89 89 GLU CB C 89 29.120 29.120 29.447 -0.327 18250 489 1 1 . 1 1 89 89 GLU H H 89 7.377 7.377 7.994 -0.617 18250 490 1 1 . 1 1 90 90 LEU N N 90 120.797 120.797 120.013 0.784 18250 491 1 1 . 1 1 90 90 LEU HA H 90 3.821 3.821 4.024 -0.203 18250 492 1 1 . 1 1 90 90 LEU C C 90 178.249 178.249 178.343 -0.094 18250 493 1 1 . 1 1 90 90 LEU CA C 90 57.491 57.491 57.478 0.013 18250 494 1 1 . 1 1 90 90 LEU CB C 90 41.502 41.502 41.922 -0.420 18250 495 1 1 . 1 1 90 90 LEU H H 90 7.608 7.608 7.233 0.375 18250 496 1 1 . 1 1 91 91 PHE N N 91 113.366 113.366 119.293 -5.927 18250 497 1 1 . 1 1 91 91 PHE HA H 91 4.532 4.532 4.063 0.469 18250 498 1 1 . 1 1 91 91 PHE C C 91 176.475 176.475 177.882 -1.407 18250 499 1 1 . 1 1 91 91 PHE CA C 91 57.504 57.504 61.177 -3.673 18250 500 1 1 . 1 1 91 91 PHE CB C 91 39.470 39.470 39.191 0.279 18250 501 1 1 . 1 1 91 91 PHE H H 91 7.024 7.024 7.746 -0.722 18250 502 1 1 . 1 1 92 92 ARG N N 92 123.994 123.994 119.886 4.108 18250 503 1 1 . 1 1 92 92 ARG HA H 92 3.965 3.965 4.174 -0.209 18250 504 1 1 . 1 1 92 92 ARG C C 92 177.152 177.152 177.184 -0.032 18250 505 1 1 . 1 1 92 92 ARG CA C 92 59.743 59.743 58.027 1.716 18250 506 1 1 . 1 1 92 92 ARG CB C 92 30.171 30.171 29.721 0.450 18250 507 1 1 . 1 1 92 92 ARG H H 92 7.237 7.237 8.764 -1.527 18250 508 1 1 . 1 1 93 93 ASP N N 93 116.866 116.866 117.313 -0.447 18250 509 1 1 . 1 1 93 93 ASP HA H 93 4.823 4.823 4.564 0.259 18250 510 1 1 . 1 1 93 93 ASP C C 93 175.589 175.589 176.304 -0.715 18250 511 1 1 . 1 1 93 93 ASP CA C 93 54.068 54.068 53.769 0.299 18250 512 1 1 . 1 1 93 93 ASP CB C 93 40.755 40.755 41.039 -0.284 18250 513 1 1 . 1 1 93 93 ASP H H 93 8.711 8.711 7.715 0.996 18250 514 1 1 . 1 1 94 94 GLY N N 94 108.978 108.978 107.985 0.993 18250 515 1 1 . 1 1 94 94 GLY C C 94 172.635 172.635 173.998 -1.363 18250 516 1 1 . 1 1 94 94 GLY CA C 94 43.818 43.818 44.579 -0.761 18250 517 1 1 . 1 1 94 94 GLY H H 94 7.582 7.582 7.495 0.087 18250 518 1 1 . 1 1 95 95 VAL N N 95 120.777 120.777 118.439 2.338 18250 519 1 1 . 1 1 95 95 VAL HA H 95 3.545 3.545 3.326 0.219 18250 520 1 1 . 1 1 95 95 VAL C C 95 174.452 174.452 174.688 -0.236 18250 521 1 1 . 1 1 95 95 VAL CA C 95 62.875 62.875 63.158 -0.283 18250 522 1 1 . 1 1 95 95 VAL CB C 95 32.148 32.148 31.334 0.814 18250 523 1 1 . 1 1 95 95 VAL H H 95 8.293 8.293 7.097 1.196 18250 524 1 1 . 1 1 96 96 ASN N N 96 116.198 116.198 126.539 -10.341 18250 525 1 1 . 1 1 96 96 ASN HA H 96 4.070 4.070 4.547 -0.477 18250 526 1 1 . 1 1 96 96 ASN C C 96 175.243 175.243 175.705 -0.462 18250 527 1 1 . 1 1 96 96 ASN CA C 96 51.784 51.784 51.393 0.391 18250 528 1 1 . 1 1 96 96 ASN CB C 96 39.849 39.849 40.128 -0.279 18250 529 1 1 . 1 1 96 96 ASN H H 96 6.401 6.401 7.917 -1.516 18250 530 1 1 . 1 1 97 97 TRP N N 97 118.776 118.776 121.964 -3.188 18250 531 1 1 . 1 1 97 97 TRP HA H 97 4.588 4.588 4.433 0.155 18250 532 1 1 . 1 1 97 97 TRP C C 97 178.207 178.207 178.028 0.179 18250 533 1 1 . 1 1 97 97 TRP CA C 97 61.083 61.083 60.042 1.041 18250 534 1 1 . 1 1 97 97 TRP CB C 97 30.676 30.676 29.425 1.251 18250 535 1 1 . 1 1 97 97 TRP H H 97 8.530 8.530 8.877 -0.347 18250 536 1 1 . 1 1 98 98 GLY N N 98 106.573 106.573 106.986 -0.413 18250 537 1 1 . 1 1 98 98 GLY C C 98 177.485 177.485 176.006 1.479 18250 538 1 1 . 1 1 98 98 GLY CA C 98 47.505 47.505 46.625 0.880 18250 539 1 1 . 1 1 98 98 GLY H H 98 8.634 8.634 8.831 -0.197 18250 540 1 1 . 1 1 99 99 ARG N N 99 121.627 121.627 121.719 -0.092 18250 541 1 1 . 1 1 99 99 ARG HA H 99 3.999 3.999 4.110 -0.111 18250 542 1 1 . 1 1 99 99 ARG C C 99 177.693 177.693 178.507 -0.814 18250 543 1 1 . 1 1 99 99 ARG CA C 99 58.487 58.487 57.664 0.823 18250 544 1 1 . 1 1 99 99 ARG CB C 99 31.363 31.363 29.594 1.769 18250 545 1 1 . 1 1 99 99 ARG H H 99 8.214 8.214 7.764 0.450 18250 546 1 1 . 1 1 100 100 ILE N N 100 121.379 121.379 120.880 0.499 18250 547 1 1 . 1 1 100 100 ILE HA H 100 3.986 3.986 3.983 0.003 18250 548 1 1 . 1 1 100 100 ILE C C 100 178.143 178.143 177.900 0.243 18250 549 1 1 . 1 1 100 100 ILE CA C 100 67.148 67.148 64.901 2.247 18250 550 1 1 . 1 1 100 100 ILE CB C 100 37.099 37.099 37.635 -0.536 18250 551 1 1 . 1 1 100 100 ILE H H 100 7.810 7.810 7.180 0.630 18250 552 1 1 . 1 1 101 101 VAL N N 101 121.444 121.444 120.136 1.308 18250 553 1 1 . 1 1 101 101 VAL HA H 101 3.458 3.458 3.488 -0.030 18250 554 1 1 . 1 1 101 101 VAL C C 101 177.752 177.752 178.110 -0.358 18250 555 1 1 . 1 1 101 101 VAL CA C 101 68.165 68.165 66.344 1.821 18250 556 1 1 . 1 1 101 101 VAL CB C 101 31.423 31.423 30.355 1.068 18250 557 1 1 . 1 1 101 101 VAL H H 101 8.378 8.378 7.651 0.727 18250 558 1 1 . 1 1 102 102 ALA N N 102 121.864 121.864 122.743 -0.879 18250 559 1 1 . 1 1 102 102 ALA HA H 102 3.174 3.174 3.043 0.131 18250 560 1 1 . 1 1 102 102 ALA C C 102 178.223 178.223 178.662 -0.439 18250 561 1 1 . 1 1 102 102 ALA CA C 102 55.256 55.256 54.414 0.842 18250 562 1 1 . 1 1 102 102 ALA CB C 102 18.631 18.631 17.388 1.243 18250 563 1 1 . 1 1 102 102 ALA H H 102 7.693 7.693 7.851 -0.158 18250 564 1 1 . 1 1 103 103 PHE N N 103 119.560 119.560 119.320 0.240 18250 565 1 1 . 1 1 103 103 PHE HA H 103 3.986 3.986 4.051 -0.065 18250 566 1 1 . 1 1 103 103 PHE C C 103 176.264 176.264 177.341 -1.077 18250 567 1 1 . 1 1 103 103 PHE CA C 103 60.811 60.811 61.274 -0.463 18250 568 1 1 . 1 1 103 103 PHE CB C 103 38.585 38.585 39.138 -0.553 18250 569 1 1 . 1 1 103 103 PHE H H 103 8.096 8.096 7.905 0.191 18250 570 1 1 . 1 1 104 104 PHE N N 104 120.694 120.694 117.114 3.580 18250 571 1 1 . 1 1 104 104 PHE HA H 104 3.347 3.347 4.111 -0.764 18250 572 1 1 . 1 1 104 104 PHE C C 104 177.604 177.604 177.997 -0.393 18250 573 1 1 . 1 1 104 104 PHE CA C 104 62.995 62.995 60.311 2.684 18250 574 1 1 . 1 1 104 104 PHE CB C 104 36.626 36.626 38.258 -1.632 18250 575 1 1 . 1 1 104 104 PHE H H 104 8.087 8.087 8.518 -0.431 18250 576 1 1 . 1 1 105 105 SER N N 105 114.775 114.775 116.474 -1.699 18250 577 1 1 . 1 1 105 105 SER HA H 105 4.444 4.444 4.532 -0.088 18250 578 1 1 . 1 1 105 105 SER C C 105 177.605 177.605 176.900 0.705 18250 579 1 1 . 1 1 105 105 SER CA C 105 63.767 63.767 62.309 1.458 18250 580 1 1 . 1 1 105 105 SER CB C 105 63.409 63.409 62.973 0.436 18250 581 1 1 . 1 1 105 105 SER H H 105 8.514 8.514 8.371 0.143 18250 582 1 1 . 1 1 106 106 PHE N N 106 124.632 124.632 122.251 2.381 18250 583 1 1 . 1 1 106 106 PHE HA H 106 4.071 4.071 4.345 -0.274 18250 584 1 1 . 1 1 106 106 PHE C C 106 176.639 176.639 178.367 -1.728 18250 585 1 1 . 1 1 106 106 PHE CA C 106 60.185 60.185 59.631 0.554 18250 586 1 1 . 1 1 106 106 PHE CB C 106 38.639 38.639 37.847 0.792 18250 587 1 1 . 1 1 106 106 PHE H H 106 9.146 9.146 8.334 0.812 18250 588 1 1 . 1 1 107 107 GLY N N 107 106.495 106.495 106.767 -0.272 18250 589 1 1 . 1 1 107 107 GLY C C 107 176.647 176.647 176.898 -0.251 18250 590 1 1 . 1 1 107 107 GLY CA C 107 47.998 47.998 47.121 0.877 18250 591 1 1 . 1 1 107 107 GLY H H 107 8.063 8.063 8.037 0.026 18250 592 1 1 . 1 1 108 108 GLY N N 108 107.786 107.786 109.063 -1.277 18250 593 1 1 . 1 1 108 108 GLY C C 108 174.589 174.589 174.918 -0.329 18250 594 1 1 . 1 1 108 108 GLY CA C 108 47.931 47.931 46.445 1.486 18250 595 1 1 . 1 1 108 108 GLY H H 108 8.900 8.900 8.145 0.755 18250 596 1 1 . 1 1 109 109 ALA N N 109 124.959 124.959 123.848 1.111 18250 597 1 1 . 1 1 109 109 ALA HA H 109 4.216 4.216 4.400 -0.184 18250 598 1 1 . 1 1 109 109 ALA C C 109 181.113 181.113 179.015 2.098 18250 599 1 1 . 1 1 109 109 ALA CA C 109 55.098 55.098 54.205 0.893 18250 600 1 1 . 1 1 109 109 ALA CB C 109 18.418 18.418 19.454 -1.036 18250 601 1 1 . 1 1 109 109 ALA H H 109 8.343 8.343 7.688 0.655 18250 602 1 1 . 1 1 110 110 LEU N N 110 119.336 119.336 119.674 -0.338 18250 603 1 1 . 1 1 110 110 LEU HA H 110 4.017 4.017 3.969 0.048 18250 604 1 1 . 1 1 110 110 LEU C C 110 180.100 180.100 178.990 1.110 18250 605 1 1 . 1 1 110 110 LEU CA C 110 57.400 57.400 58.200 -0.800 18250 606 1 1 . 1 1 110 110 LEU CB C 110 42.562 42.562 41.904 0.659 18250 607 1 1 . 1 1 110 110 LEU H H 110 8.296 8.296 8.632 -0.336 18250 608 1 1 . 1 1 111 111 CYS N N 111 119.466 119.466 116.448 3.018 18250 609 1 1 . 1 1 111 111 CYS HA H 111 3.818 3.818 4.080 -0.262 18250 610 1 1 . 1 1 111 111 CYS C C 111 175.954 175.954 177.149 -1.195 18250 611 1 1 . 1 1 111 111 CYS CA C 111 64.665 64.665 62.554 2.111 18250 612 1 1 . 1 1 111 111 CYS CB C 111 26.724 26.724 26.591 0.133 18250 613 1 1 . 1 1 111 111 CYS H H 111 8.207 8.207 8.580 -0.373 18250 614 1 1 . 1 1 112 112 VAL N N 112 119.086 119.086 122.601 -3.515 18250 615 1 1 . 1 1 112 112 VAL HA H 112 3.379 3.379 3.785 -0.406 18250 616 1 1 . 1 1 112 112 VAL C C 112 177.356 177.356 178.048 -0.692 18250 617 1 1 . 1 1 112 112 VAL CA C 112 67.316 67.316 66.320 0.996 18250 618 1 1 . 1 1 112 112 VAL CB C 112 31.944 31.944 31.947 -0.003 18250 619 1 1 . 1 1 112 112 VAL H H 112 8.110 8.110 7.240 0.870 18250 620 1 1 . 1 1 113 113 GLU N N 113 119.448 119.448 118.727 0.721 18250 621 1 1 . 1 1 113 113 GLU HA H 113 4.094 4.094 3.955 0.139 18250 622 1 1 . 1 1 113 113 GLU C C 113 178.264 178.264 178.922 -0.658 18250 623 1 1 . 1 1 113 113 GLU CA C 113 59.336 59.336 59.079 0.257 18250 624 1 1 . 1 1 113 113 GLU CB C 113 29.326 29.326 28.846 0.479 18250 625 1 1 . 1 1 113 113 GLU H H 113 8.190 8.190 8.014 0.176 18250 626 1 1 . 1 1 114 114 SER N N 114 113.847 113.847 115.559 -1.712 18250 627 1 1 . 1 1 114 114 SER HA H 114 3.886 3.886 4.176 -0.290 18250 628 1 1 . 1 1 114 114 SER C C 114 175.485 175.485 176.077 -0.592 18250 629 1 1 . 1 1 114 114 SER CA C 114 63.249 63.249 61.566 1.683 18250 630 1 1 . 1 1 114 114 SER CB C 114 62.229 62.229 62.819 -0.590 18250 631 1 1 . 1 1 114 114 SER H H 114 7.757 7.757 8.128 -0.371 18250 632 1 1 . 1 1 115 115 VAL N N 115 121.093 121.093 120.986 0.107 18250 633 1 1 . 1 1 115 115 VAL HA H 115 3.201 3.201 3.318 -0.117 18250 634 1 1 . 1 1 115 115 VAL C C 115 179.471 179.471 178.138 1.333 18250 635 1 1 . 1 1 115 115 VAL CA C 115 66.746 66.746 65.934 0.812 18250 636 1 1 . 1 1 115 115 VAL CB C 115 31.412 31.412 31.080 0.332 18250 637 1 1 . 1 1 115 115 VAL H H 115 7.423 7.423 7.555 -0.132 18250 638 1 1 . 1 1 116 116 ASP N N 116 123.023 123.023 121.210 1.813 18250 639 1 1 . 1 1 116 116 ASP HA H 116 4.398 4.398 4.335 0.063 18250 640 1 1 . 1 1 116 116 ASP C C 116 178.029 178.029 177.592 0.437 18250 641 1 1 . 1 1 116 116 ASP CA C 116 57.471 57.471 57.305 0.166 18250 642 1 1 . 1 1 116 116 ASP CB C 116 41.004 41.004 40.702 0.302 18250 643 1 1 . 1 1 116 116 ASP H H 116 8.365 8.365 7.821 0.544 18250 644 1 1 . 1 1 117 117 LYS N N 117 116.212 116.212 117.201 -0.989 18250 645 1 1 . 1 1 117 117 LYS HA H 117 4.384 4.384 4.300 0.084 18250 646 1 1 . 1 1 117 117 LYS C C 117 175.049 175.049 175.512 -0.463 18250 647 1 1 . 1 1 117 117 LYS CA C 117 55.685 55.685 56.173 -0.488 18250 648 1 1 . 1 1 117 117 LYS CB C 117 32.317 32.317 32.491 -0.174 18250 649 1 1 . 1 1 117 117 LYS H H 117 7.698 7.698 7.508 0.190 18250 650 1 1 . 1 1 118 118 GLU N N 118 114.271 114.271 113.880 0.391 18250 651 1 1 . 1 1 118 118 GLU HA H 118 3.973 3.973 3.820 0.153 18250 652 1 1 . 1 1 118 118 GLU C C 118 176.065 176.065 175.598 0.467 18250 653 1 1 . 1 1 118 118 GLU CA C 118 57.766 57.766 57.560 0.206 18250 654 1 1 . 1 1 118 118 GLU CB C 118 26.540 26.540 27.343 -0.802 18250 655 1 1 . 1 1 118 118 GLU H H 118 7.959 7.959 8.092 -0.133 18250 656 1 1 . 1 1 119 119 MET N N 119 119.260 119.260 118.620 0.640 18250 657 1 1 . 1 1 119 119 MET HA H 119 4.822 4.822 4.615 0.207 18250 658 1 1 . 1 1 119 119 MET C C 119 176.817 176.817 175.694 1.123 18250 659 1 1 . 1 1 119 119 MET CA C 119 53.675 53.675 54.218 -0.543 18250 660 1 1 . 1 1 119 119 MET CB C 119 31.867 31.867 31.295 0.572 18250 661 1 1 . 1 1 119 119 MET H H 119 8.542 8.542 8.464 0.078 18250 662 1 1 . 1 1 120 120 GLN N N 120 119.766 119.766 120.888 -1.122 18250 663 1 1 . 1 1 120 120 GLN HA H 120 3.489 3.489 3.767 -0.278 18250 664 1 1 . 1 1 120 120 GLN C C 120 177.471 177.471 177.043 0.428 18250 665 1 1 . 1 1 120 120 GLN CA C 120 60.166 60.166 58.851 1.315 18250 666 1 1 . 1 1 120 120 GLN CB C 120 27.667 27.667 28.707 -1.040 18250 667 1 1 . 1 1 120 120 GLN H H 120 8.796 8.796 8.169 0.627 18250 668 1 1 . 1 1 121 121 VAL N N 121 117.292 117.292 114.007 3.285 18250 669 1 1 . 1 1 121 121 VAL HA H 121 4.056 4.056 3.915 0.141 18250 670 1 1 . 1 1 121 121 VAL C C 121 175.676 175.676 176.446 -0.770 18250 671 1 1 . 1 1 121 121 VAL CA C 121 63.612 63.612 64.323 -0.711 18250 672 1 1 . 1 1 121 121 VAL CB C 121 31.494 31.494 30.985 0.509 18250 673 1 1 . 1 1 121 121 VAL H H 121 7.959 7.959 7.811 0.148 18250 674 1 1 . 1 1 122 122 LEU N N 122 117.436 117.436 120.470 -3.034 18250 675 1 1 . 1 1 122 122 LEU HA H 122 3.872 3.872 3.941 -0.069 18250 676 1 1 . 1 1 122 122 LEU C C 122 177.962 177.962 178.591 -0.629 18250 677 1 1 . 1 1 122 122 LEU CA C 122 55.528 55.528 57.587 -2.059 18250 678 1 1 . 1 1 122 122 LEU CB C 122 41.369 41.369 41.529 -0.160 18250 679 1 1 . 1 1 122 122 LEU H H 122 7.887 7.887 7.149 0.738 18250 680 1 1 . 1 1 123 123 VAL N N 123 120.028 120.028 119.305 0.723 18250 681 1 1 . 1 1 123 123 VAL HA H 123 3.379 3.379 3.502 -0.123 18250 682 1 1 . 1 1 123 123 VAL C C 123 177.040 177.040 177.164 -0.124 18250 683 1 1 . 1 1 123 123 VAL CA C 123 67.817 67.817 66.283 1.534 18250 684 1 1 . 1 1 123 123 VAL CB C 123 30.889 30.889 31.158 -0.269 18250 685 1 1 . 1 1 123 123 VAL H H 123 7.444 7.444 7.584 -0.140 18250 686 1 1 . 1 1 124 124 SER N N 124 111.168 111.168 113.409 -2.241 18250 687 1 1 . 1 1 124 124 SER HA H 124 3.979 3.979 4.092 -0.113 18250 688 1 1 . 1 1 124 124 SER C C 124 177.070 177.070 176.050 1.020 18250 689 1 1 . 1 1 124 124 SER CA C 124 61.254 61.254 61.561 -0.307 18250 690 1 1 . 1 1 124 124 SER CB C 124 62.403 62.403 63.164 -0.761 18250 691 1 1 . 1 1 124 124 SER H H 124 8.394 8.394 7.529 0.865 18250 692 1 1 . 1 1 125 125 ARG N N 125 123.526 123.526 121.246 2.280 18250 693 1 1 . 1 1 125 125 ARG HA H 125 3.710 3.710 3.935 -0.225 18250 694 1 1 . 1 1 125 125 ARG C C 125 175.751 175.751 177.324 -1.573 18250 695 1 1 . 1 1 125 125 ARG CA C 125 58.738 58.738 58.038 0.700 18250 696 1 1 . 1 1 125 125 ARG CB C 125 29.845 29.845 29.174 0.671 18250 697 1 1 . 1 1 125 125 ARG H H 125 6.696 6.696 7.233 -0.537 18250 698 1 1 . 1 1 126 126 ILE N N 126 118.795 118.795 121.157 -2.362 18250 699 1 1 . 1 1 126 126 ILE HA H 126 2.855 2.855 3.004 -0.149 18250 700 1 1 . 1 1 126 126 ILE C C 126 177.974 177.974 177.288 0.686 18250 701 1 1 . 1 1 126 126 ILE CA C 126 64.959 64.959 64.945 0.014 18250 702 1 1 . 1 1 126 126 ILE CB C 126 37.666 37.666 37.327 0.339 18250 703 1 1 . 1 1 126 126 ILE H H 126 8.124 8.124 8.083 0.041 18250 704 1 1 . 1 1 127 127 ALA N N 127 119.674 119.674 121.328 -1.654 18250 705 1 1 . 1 1 127 127 ALA HA H 127 3.902 3.902 3.901 0.001 18250 706 1 1 . 1 1 127 127 ALA C C 127 179.395 179.395 179.058 0.337 18250 707 1 1 . 1 1 127 127 ALA CA C 127 55.287 55.287 55.110 0.177 18250 708 1 1 . 1 1 127 127 ALA CB C 127 18.520 18.520 17.986 0.534 18250 709 1 1 . 1 1 127 127 ALA H H 127 7.711 7.711 7.622 0.089 18250 710 1 1 . 1 1 128 128 ALA N N 128 120.850 120.850 121.660 -0.810 18250 711 1 1 . 1 1 128 128 ALA HA H 128 4.173 4.173 4.096 0.077 18250 712 1 1 . 1 1 128 128 ALA C C 128 181.038 181.038 179.544 1.494 18250 713 1 1 . 1 1 128 128 ALA CA C 128 55.261 55.261 54.917 0.344 18250 714 1 1 . 1 1 128 128 ALA CB C 128 17.822 17.822 18.101 -0.279 18250 715 1 1 . 1 1 128 128 ALA H H 128 7.356 7.356 7.301 0.055 18250 716 1 1 . 1 1 129 129 TRP N N 129 121.648 121.648 118.791 2.857 18250 717 1 1 . 1 1 129 129 TRP C C 129 179.558 179.558 179.204 0.354 18250 718 1 1 . 1 1 129 129 TRP CA C 129 57.788 57.788 59.687 -1.899 18250 719 1 1 . 1 1 129 129 TRP CB C 129 28.918 28.918 28.198 0.720 18250 720 1 1 . 1 1 129 129 TRP H H 129 9.087 9.087 7.978 1.109 18250 721 1 1 . 1 1 130 130 MET N N 130 117.535 117.535 118.217 -0.682 18250 722 1 1 . 1 1 130 130 MET HA H 130 4.345 4.345 4.742 -0.397 18250 723 1 1 . 1 1 130 130 MET C C 130 178.170 178.170 178.738 -0.568 18250 724 1 1 . 1 1 130 130 MET CA C 130 60.179 60.179 59.760 0.419 18250 725 1 1 . 1 1 130 130 MET CB C 130 34.928 34.928 32.291 2.637 18250 726 1 1 . 1 1 130 130 MET H H 130 9.031 9.031 8.436 0.595 18250 727 1 1 . 1 1 131 131 ALA N N 131 120.973 120.973 122.493 -1.520 18250 728 1 1 . 1 1 131 131 ALA HA H 131 4.100 4.100 4.142 -0.042 18250 729 1 1 . 1 1 131 131 ALA C C 131 176.249 176.249 179.627 -3.378 18250 730 1 1 . 1 1 131 131 ALA CA C 131 56.176 56.176 55.457 0.719 18250 731 1 1 . 1 1 131 131 ALA CB C 131 17.634 17.634 18.160 -0.526 18250 732 1 1 . 1 1 131 131 ALA H H 131 8.274 8.274 8.624 -0.350 18250 733 1 1 . 1 1 132 132 THR N N 132 117.211 117.211 117.846 -0.635 18250 734 1 1 . 1 1 132 132 THR HA H 132 3.959 3.959 3.970 -0.011 18250 735 1 1 . 1 1 132 132 THR C C 132 175.035 175.035 176.390 -1.355 18250 736 1 1 . 1 1 132 132 THR CA C 132 67.312 67.312 67.701 -0.389 18250 737 1 1 . 1 1 132 132 THR CB C 132 69.177 69.177 69.004 0.173 18250 738 1 1 . 1 1 132 132 THR H H 132 8.648 8.648 8.508 0.140 18250 739 1 1 . 1 1 133 133 TYR N N 133 123.705 123.705 123.859 -0.154 18250 740 1 1 . 1 1 133 133 TYR HA H 133 4.018 4.018 4.454 -0.436 18250 741 1 1 . 1 1 133 133 TYR C C 133 179.551 179.551 177.717 1.834 18250 742 1 1 . 1 1 133 133 TYR CA C 133 63.577 63.577 61.974 1.603 18250 743 1 1 . 1 1 133 133 TYR CB C 133 39.312 39.312 38.684 0.628 18250 744 1 1 . 1 1 133 133 TYR H H 133 8.964 8.964 8.638 0.326 18250 745 1 1 . 1 1 134 134 LEU N N 134 119.671 119.671 120.498 -0.827 18250 746 1 1 . 1 1 134 134 LEU HA H 134 3.832 3.832 3.934 -0.102 18250 747 1 1 . 1 1 134 134 LEU C C 134 178.321 178.321 178.551 -0.230 18250 748 1 1 . 1 1 134 134 LEU CA C 134 59.586 59.586 58.176 1.410 18250 749 1 1 . 1 1 134 134 LEU CB C 134 42.898 42.898 41.876 1.022 18250 750 1 1 . 1 1 134 134 LEU H H 134 8.853 8.853 8.780 0.073 18250 751 1 1 . 1 1 135 135 ASN N N 135 117.661 117.661 117.600 0.061 18250 752 1 1 . 1 1 135 135 ASN HA H 135 4.353 4.353 4.539 -0.186 18250 753 1 1 . 1 1 135 135 ASN C C 135 176.407 176.407 177.033 -0.626 18250 754 1 1 . 1 1 135 135 ASN CA C 135 56.883 56.883 55.790 1.093 18250 755 1 1 . 1 1 135 135 ASN CB C 135 39.219 39.219 38.451 0.768 18250 756 1 1 . 1 1 135 135 ASN H H 135 8.455 8.455 8.493 -0.038 18250 757 1 1 . 1 1 136 136 ASP N N 136 115.939 115.939 118.759 -2.820 18250 758 1 1 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.514 -0.179 18250 759 1 1 . 1 1 136 136 ASP C C 136 177.798 177.798 177.539 0.259 18250 760 1 1 . 1 1 136 136 ASP CA C 136 56.501 56.501 56.769 -0.268 18250 761 1 1 . 1 1 136 136 ASP CB C 136 40.861 40.861 41.540 -0.679 18250 762 1 1 . 1 1 136 136 ASP H H 136 8.580 8.580 8.561 0.019 18250 763 1 1 . 1 1 137 137 HIS N N 137 112.071 112.071 117.725 -5.654 18250 764 1 1 . 1 1 137 137 HIS HA H 137 4.552 4.552 4.394 0.158 18250 765 1 1 . 1 1 137 137 HIS C C 137 175.780 175.780 176.999 -1.219 18250 766 1 1 . 1 1 137 137 HIS CA C 137 56.529 56.529 57.588 -1.059 18250 767 1 1 . 1 1 137 137 HIS CB C 137 30.890 30.890 31.001 -0.111 18250 768 1 1 . 1 1 137 137 HIS H H 137 8.202 8.202 7.680 0.522 18250 769 1 1 . 1 1 138 138 LEU N N 138 117.363 117.363 121.185 -3.822 18250 770 1 1 . 1 1 138 138 LEU HA H 138 4.550 4.550 4.221 0.329 18250 771 1 1 . 1 1 138 138 LEU C C 138 176.369 176.369 177.955 -1.586 18250 772 1 1 . 1 1 138 138 LEU CA C 138 55.696 55.696 56.312 -0.616 18250 773 1 1 . 1 1 138 138 LEU CB C 138 43.465 43.465 42.008 1.457 18250 774 1 1 . 1 1 138 138 LEU H H 138 7.306 7.306 8.260 -0.954 18250 775 1 1 . 1 1 139 139 GLU N N 139 121.917 121.917 120.090 1.827 18250 776 1 1 . 1 1 139 139 GLU HA H 139 4.351 4.351 3.961 0.390 18250 777 1 1 . 1 1 139 139 GLU C C 139 173.816 173.816 175.560 -1.744 18250 778 1 1 . 1 1 139 139 GLU CA C 139 60.529 60.529 62.019 -1.490 18250 779 1 1 . 1 1 139 139 GLU CB C 139 27.774 27.774 27.963 -0.189 18250 780 1 1 . 1 1 139 139 GLU H H 139 8.706 8.706 8.552 0.154 18250 781 1 1 . 1 1 140 140 PRO HA H 140 4.234 4.234 4.177 0.057 18250 782 1 1 . 1 1 140 140 PRO C C 140 179.159 179.159 178.654 0.505 18250 783 1 1 . 1 1 140 140 PRO CA C 140 66.582 66.582 65.839 0.743 18250 784 1 1 . 1 1 140 140 PRO CB C 140 30.747 30.747 31.388 -0.641 18250 785 1 1 . 1 1 141 141 TRP N N 141 118.367 118.367 119.122 -0.755 18250 786 1 1 . 1 1 141 141 TRP HA H 141 3.855 3.855 4.372 -0.517 18250 787 1 1 . 1 1 141 141 TRP C C 141 179.411 179.411 177.699 1.712 18250 788 1 1 . 1 1 141 141 TRP CA C 141 62.205 62.205 61.163 1.042 18250 789 1 1 . 1 1 141 141 TRP CB C 141 28.928 28.928 29.694 -0.766 18250 790 1 1 . 1 1 141 141 TRP H H 141 7.195 7.195 7.601 -0.406 18250 791 1 1 . 1 1 142 142 ILE N N 142 122.553 122.553 120.141 2.412 18250 792 1 1 . 1 1 142 142 ILE HA H 142 2.891 2.891 3.364 -0.473 18250 793 1 1 . 1 1 142 142 ILE C C 142 178.924 178.924 178.095 0.829 18250 794 1 1 . 1 1 142 142 ILE CA C 142 66.241 66.241 65.514 0.727 18250 795 1 1 . 1 1 142 142 ILE CB C 142 38.314 38.314 37.528 0.786 18250 796 1 1 . 1 1 142 142 ILE H H 142 8.511 8.511 8.127 0.384 18250 797 1 1 . 1 1 143 143 GLN N N 143 116.777 116.777 118.209 -1.432 18250 798 1 1 . 1 1 143 143 GLN HA H 143 3.920 3.920 3.965 -0.045 18250 799 1 1 . 1 1 143 143 GLN C C 143 179.455 179.455 178.383 1.072 18250 800 1 1 . 1 1 143 143 GLN CA C 143 58.567 58.567 58.533 0.034 18250 801 1 1 . 1 1 143 143 GLN CB C 143 28.068 28.068 28.066 0.002 18250 802 1 1 . 1 1 143 143 GLN H H 143 8.514 8.514 8.488 0.026 18250 803 1 1 . 1 1 144 144 GLU N N 144 119.467 119.467 120.025 -0.558 18250 804 1 1 . 1 1 144 144 GLU HA H 144 4.084 4.084 3.982 0.102 18250 805 1 1 . 1 1 144 144 GLU C C 144 176.785 176.785 177.862 -1.077 18250 806 1 1 . 1 1 144 144 GLU CA C 144 57.902 57.902 58.659 -0.757 18250 807 1 1 . 1 1 144 144 GLU CB C 144 29.915 29.915 29.213 0.702 18250 808 1 1 . 1 1 144 144 GLU H H 144 7.646 7.646 7.742 -0.096 18250 809 1 1 . 1 1 145 145 ASN N N 145 116.904 116.904 114.086 2.818 18250 810 1 1 . 1 1 145 145 ASN HA H 145 4.454 4.454 4.594 -0.140 18250 811 1 1 . 1 1 145 145 ASN C C 145 173.890 173.890 175.110 -1.220 18250 812 1 1 . 1 1 145 145 ASN CA C 145 53.652 53.652 53.085 0.567 18250 813 1 1 . 1 1 145 145 ASN CB C 145 38.204 38.204 38.680 -0.476 18250 814 1 1 . 1 1 145 145 ASN H H 145 7.195 7.195 7.348 -0.153 18250 815 1 1 . 1 1 146 146 GLY N N 146 105.175 105.175 106.757 -1.582 18250 816 1 1 . 1 1 146 146 GLY C C 146 175.977 175.977 173.996 1.981 18250 817 1 1 . 1 1 146 146 GLY CA C 146 45.723 45.723 44.885 0.838 18250 818 1 1 . 1 1 146 146 GLY H H 146 7.438 7.438 7.847 -0.409 18250 819 1 1 . 1 1 147 147 GLY N N 147 108.769 108.769 107.995 0.774 18250 820 1 1 . 1 1 147 147 GLY C C 147 173.367 173.367 175.250 -1.883 18250 821 1 1 . 1 1 147 147 GLY CA C 147 44.532 44.532 44.453 0.079 18250 822 1 1 . 1 1 147 147 GLY H H 147 8.580 8.580 7.687 0.893 18250 823 1 1 . 1 1 148 148 TRP N N 148 118.433 118.433 122.457 -4.024 18250 824 1 1 . 1 1 148 148 TRP HA H 148 4.431 4.431 4.406 0.025 18250 825 1 1 . 1 1 148 148 TRP C C 148 178.434 178.434 177.407 1.027 18250 826 1 1 . 1 1 148 148 TRP CA C 148 60.558 60.558 60.072 0.486 18250 827 1 1 . 1 1 148 148 TRP CB C 148 29.872 29.872 29.527 0.345 18250 828 1 1 . 1 1 148 148 TRP H H 148 8.715 8.715 8.683 0.032 18250 829 1 1 . 1 1 149 149 ASP N N 149 118.214 118.214 116.955 1.259 18250 830 1 1 . 1 1 149 149 ASP HA H 149 4.446 4.446 4.317 0.129 18250 831 1 1 . 1 1 149 149 ASP C C 149 179.629 179.629 177.874 1.755 18250 832 1 1 . 1 1 149 149 ASP CA C 149 57.850 57.850 57.022 0.828 18250 833 1 1 . 1 1 149 149 ASP CB C 149 40.379 40.379 39.648 0.731 18250 834 1 1 . 1 1 149 149 ASP H H 149 8.897 8.897 8.873 0.024 18250 835 1 1 . 1 1 150 150 THR N N 150 117.183 117.183 115.986 1.197 18250 836 1 1 . 1 1 150 150 THR HA H 150 4.010 4.010 4.037 -0.027 18250 837 1 1 . 1 1 150 150 THR C C 150 175.220 175.220 175.836 -0.616 18250 838 1 1 . 1 1 150 150 THR CA C 150 66.376 66.376 66.081 0.295 18250 839 1 1 . 1 1 150 150 THR CB C 150 68.344 68.344 68.743 -0.399 18250 840 1 1 . 1 1 150 150 THR H H 150 7.632 7.632 7.643 -0.011 18250 841 1 1 . 1 1 151 151 PHE N N 151 122.603 122.603 121.428 1.175 18250 842 1 1 . 1 1 151 151 PHE HA H 151 4.423 4.423 3.649 0.774 18250 843 1 1 . 1 1 151 151 PHE C C 151 176.703 176.703 176.412 0.291 18250 844 1 1 . 1 1 151 151 PHE CA C 151 61.847 61.847 59.631 2.216 18250 845 1 1 . 1 1 151 151 PHE CB C 151 37.952 37.952 38.683 -0.731 18250 846 1 1 . 1 1 151 151 PHE H H 151 6.638 6.638 7.122 -0.484 18250 847 1 1 . 1 1 152 152 VAL N N 152 117.675 117.675 118.707 -1.032 18250 848 1 1 . 1 1 152 152 VAL HA H 152 3.065 3.065 3.317 -0.252 18250 849 1 1 . 1 1 152 152 VAL C C 152 178.313 178.313 178.246 0.067 18250 850 1 1 . 1 1 152 152 VAL CA C 152 66.780 66.780 66.361 0.419 18250 851 1 1 . 1 1 152 152 VAL CB C 152 31.889 31.889 31.531 0.358 18250 852 1 1 . 1 1 152 152 VAL H H 152 7.840 7.840 8.592 -0.752 18250 853 1 1 . 1 1 153 153 GLU N N 153 120.159 120.159 119.945 0.214 18250 854 1 1 . 1 1 153 153 GLU HA H 153 3.925 3.925 4.016 -0.091 18250 855 1 1 . 1 1 153 153 GLU C C 153 178.157 178.157 178.993 -0.836 18250 856 1 1 . 1 1 153 153 GLU CA C 153 59.292 59.292 58.937 0.355 18250 857 1 1 . 1 1 153 153 GLU CB C 153 29.569 29.569 29.181 0.388 18250 858 1 1 . 1 1 153 153 GLU H H 153 7.484 7.484 7.651 -0.167 18250 859 1 1 . 1 1 154 154 LEU N N 154 117.518 117.518 118.184 -0.666 18250 860 1 1 . 1 1 154 154 LEU HA H 154 4.054 4.054 3.857 0.197 18250 861 1 1 . 1 1 154 154 LEU C C 154 178.563 178.563 177.323 1.240 18250 862 1 1 . 1 1 154 154 LEU CA C 154 56.844 56.844 56.713 0.131 18250 863 1 1 . 1 1 154 154 LEU CB C 154 43.739 43.739 41.939 1.800 18250 864 1 1 . 1 1 154 154 LEU H H 154 7.701 7.701 7.192 0.509 18250 865 1 1 . 1 1 155 155 TYR N N 155 116.466 116.466 113.531 2.935 18250 866 1 1 . 1 1 155 155 TYR HA H 155 4.227 4.227 4.446 -0.219 18250 867 1 1 . 1 1 155 155 TYR C C 155 176.835 176.835 176.017 0.818 18250 868 1 1 . 1 1 155 155 TYR CA C 155 59.639 59.639 57.263 2.376 18250 869 1 1 . 1 1 155 155 TYR CB C 155 38.891 38.891 39.127 -0.236 18250 870 1 1 . 1 1 155 155 TYR H H 155 8.210 8.210 7.329 0.881 18250 871 1 1 . 1 1 156 156 GLY N N 156 108.677 108.677 108.974 -0.297 18250 872 1 1 . 1 1 156 156 GLY C C 156 173.893 173.893 174.155 -0.262 18250 873 1 1 . 1 1 156 156 GLY CA C 156 45.627 45.627 43.972 1.655 18250 874 1 1 . 1 1 156 156 GLY H H 156 8.125 8.125 7.611 0.514 18250 875 1 1 . 1 1 157 157 ASN N N 157 118.537 118.537 119.012 -0.475 18250 876 1 1 . 1 1 157 157 ASN HA H 157 4.640 4.640 4.538 0.102 18250 877 1 1 . 1 1 157 157 ASN C C 157 175.436 175.436 177.204 -1.768 18250 878 1 1 . 1 1 157 157 ASN CA C 157 53.482 53.482 55.627 -2.145 18250 879 1 1 . 1 1 157 157 ASN CB C 157 38.726 38.726 39.046 -0.320 18250 880 1 1 . 1 1 157 157 ASN H H 157 8.429 8.429 8.534 -0.105 18250 881 1 1 . 1 1 158 158 ASN N N 158 119.251 119.251 118.531 0.720 18250 882 1 1 . 1 1 158 158 ASN HA H 158 4.634 4.634 4.447 0.187 18250 883 1 1 . 1 1 158 158 ASN C C 158 175.574 175.574 176.915 -1.341 18250 884 1 1 . 1 1 158 158 ASN CA C 158 53.845 53.845 56.086 -2.241 18250 885 1 1 . 1 1 158 158 ASN CB C 158 38.841 38.841 38.432 0.409 18250 886 1 1 . 1 1 158 158 ASN H H 158 8.444 8.444 8.110 0.334 18250 887 1 1 . 1 1 159 159 ALA N N 159 123.557 123.557 121.977 1.580 18250 888 1 1 . 1 1 159 159 ALA HA H 159 4.185 4.185 3.933 0.252 18250 889 1 1 . 1 1 159 159 ALA C C 159 178.451 178.451 179.036 -0.585 18250 890 1 1 . 1 1 159 159 ALA CA C 159 53.732 53.732 55.142 -1.410 18250 891 1 1 . 1 1 159 159 ALA CB C 159 18.793 18.793 18.336 0.457 18250 892 1 1 . 1 1 159 159 ALA H H 159 8.216 8.216 8.275 -0.059 18250 893 1 1 . 1 1 160 160 ALA N N 160 121.918 121.918 119.861 2.057 18250 894 1 1 . 1 1 160 160 ALA HA H 160 4.236 4.236 3.970 0.266 18250 895 1 1 . 1 1 160 160 ALA C C 160 178.493 178.493 178.882 -0.389 18250 896 1 1 . 1 1 160 160 ALA CA C 160 53.131 53.131 54.208 -1.077 18250 897 1 1 . 1 1 160 160 ALA CB C 160 18.623 18.623 18.547 0.076 18250 898 1 1 . 1 1 160 160 ALA H H 160 8.159 8.159 7.790 0.369 18250 899 1 1 . 1 1 161 161 ALA N N 161 122.552 122.552 120.379 2.173 18250 900 1 1 . 1 1 161 161 ALA HA H 161 4.160 4.160 4.088 0.072 18250 901 1 1 . 1 1 161 161 ALA C C 161 178.993 178.993 180.561 -1.568 18250 902 1 1 . 1 1 161 161 ALA CA C 161 53.807 53.807 54.582 -0.775 18250 903 1 1 . 1 1 161 161 ALA CB C 161 18.845 18.845 18.399 0.446 18250 904 1 1 . 1 1 161 161 ALA H H 161 8.054 8.054 8.041 0.013 18250 905 1 1 . 1 1 162 162 GLU N N 162 118.709 118.709 117.449 1.260 18250 906 1 1 . 1 1 162 162 GLU HA H 162 4.175 4.175 4.159 0.016 18250 907 1 1 . 1 1 162 162 GLU C C 162 177.630 177.630 177.698 -0.068 18250 908 1 1 . 1 1 162 162 GLU CA C 162 57.788 57.788 58.175 -0.387 18250 909 1 1 . 1 1 162 162 GLU CB C 162 29.767 29.767 29.428 0.339 18250 910 1 1 . 1 1 162 162 GLU H H 162 8.330 8.330 8.282 0.048 18250 911 1 1 . 1 1 163 163 SER N N 163 115.336 115.336 113.176 2.160 18250 912 1 1 . 1 1 163 163 SER HA H 163 4.378 4.378 4.560 -0.182 18250 913 1 1 . 1 1 163 163 SER C C 163 175.241 175.241 174.646 0.595 18250 914 1 1 . 1 1 163 163 SER CA C 163 59.419 59.419 58.914 0.505 18250 915 1 1 . 1 1 163 163 SER CB C 163 63.456 63.456 63.177 0.279 18250 916 1 1 . 1 1 163 163 SER H H 163 8.122 8.122 7.463 0.659 18250 917 1 1 . 1 1 164 164 ARG N N 164 121.905 121.905 122.046 -0.141 18250 918 1 1 . 1 1 164 164 ARG HA H 164 4.328 4.328 4.070 0.258 18250 919 1 1 . 1 1 164 164 ARG C C 164 176.812 176.812 178.105 -1.293 18250 920 1 1 . 1 1 164 164 ARG CA C 164 56.772 56.772 59.641 -2.869 18250 921 1 1 . 1 1 164 164 ARG CB C 164 30.508 30.508 30.368 0.140 18250 922 1 1 . 1 1 164 164 ARG H H 164 8.054 8.054 7.439 0.615 18250 923 1 1 . 1 1 165 165 LYS N N 165 121.165 121.165 117.908 3.257 18250 924 1 1 . 1 1 165 165 LYS HA H 165 4.247 4.247 4.398 -0.151 18250 925 1 1 . 1 1 165 165 LYS C C 165 177.580 177.580 178.248 -0.668 18250 926 1 1 . 1 1 165 165 LYS CA C 165 57.272 57.272 58.322 -1.050 18250 927 1 1 . 1 1 165 165 LYS CB C 165 32.845 32.845 31.604 1.241 18250 928 1 1 . 1 1 165 165 LYS H H 165 8.111 8.111 8.101 0.010 18250 929 1 1 . 1 1 166 166 GLY N N 166 109.466 109.466 107.407 2.059 18250 930 1 1 . 1 1 166 166 GLY C C 166 174.696 174.696 175.964 -1.268 18250 931 1 1 . 1 1 166 166 GLY CA C 166 45.691 45.691 46.444 -0.753 18250 932 1 1 . 1 1 166 166 GLY H H 166 8.444 8.444 8.394 0.050 18250 933 1 1 . 1 1 167 167 GLN N N 167 119.704 119.704 121.186 -1.482 18250 934 1 1 . 1 1 167 167 GLN HA H 167 4.342 4.342 4.110 0.232 18250 935 1 1 . 1 1 167 167 GLN C C 167 176.093 176.093 178.249 -2.156 18250 936 1 1 . 1 1 167 167 GLN CA C 167 56.161 56.161 58.516 -2.355 18250 937 1 1 . 1 1 167 167 GLN CB C 167 29.403 29.403 28.387 1.016 18250 938 1 1 . 1 1 167 167 GLN H H 167 8.143 8.143 7.711 0.432 18250 939 1 1 . 1 1 168 168 GLU N N 168 121.765 121.765 118.923 2.842 18250 940 1 1 . 1 1 168 168 GLU HA H 168 4.224 4.224 4.046 0.178 18250 941 1 1 . 1 1 168 168 GLU C C 168 176.750 176.750 178.805 -2.055 18250 942 1 1 . 1 1 168 168 GLU CA C 168 57.344 57.344 58.659 -1.315 18250 943 1 1 . 1 1 168 168 GLU CB C 168 29.990 29.990 29.421 0.569 18250 944 1 1 . 1 1 168 168 GLU H H 168 8.526 8.526 7.672 0.854 18250 945 1 1 . 1 1 169 169 ARG N N 169 121.114 121.114 119.864 1.250 18250 946 1 1 . 1 1 169 169 ARG HA H 169 4.291 4.291 4.160 0.131 18250 947 1 1 . 1 1 169 169 ARG C C 169 177.587 177.587 179.114 -1.527 18250 948 1 1 . 1 1 169 169 ARG CA C 169 56.338 56.338 58.588 -2.250 18250 949 1 1 . 1 1 169 169 ARG CB C 169 30.516 30.516 30.378 0.138 18250 950 1 1 . 1 1 169 169 ARG H H 169 8.284 8.284 7.794 0.490 18250 951 1 1 . 1 1 170 170 LEU N N 170 122.853 122.853 121.408 1.445 18250 952 1 1 . 1 1 170 170 LEU HA H 170 4.399 4.399 4.168 0.231 18250 953 1 1 . 1 1 170 170 LEU C C 170 177.364 177.364 177.747 -0.383 18250 954 1 1 . 1 1 170 170 LEU CA C 170 55.290 55.290 57.397 -2.107 18250 955 1 1 . 1 1 170 170 LEU CB C 170 42.424 42.424 41.981 0.443 18250 956 1 1 . 1 1 170 170 LEU H H 170 8.181 8.181 7.848 0.333 18250 957 1 1 . 1 1 171 171 GLU N N 171 120.823 120.823 118.946 1.877 18250 958 1 1 . 1 1 171 171 GLU C C 171 176.255 176.255 176.424 -0.169 18250 959 1 1 . 1 1 171 171 GLU CA C 171 56.725 56.725 57.584 -0.859 18250 960 1 1 . 1 1 171 171 GLU CB C 171 30.289 30.289 30.090 0.199 18250 961 1 1 . 1 1 171 171 GLU H H 171 8.352 8.352 7.702 0.650 18250 962 1 2 . 1 1 2 2 SER N N 2 122.263 122.263 119.956 2.307 18250 963 1 2 . 1 1 2 2 SER HA H 2 4.270 4.270 4.609 -0.339 18250 964 1 2 . 1 1 2 2 SER CA C 2 59.961 59.961 60.863 -0.902 18250 965 1 2 . 1 1 2 2 SER CB C 2 64.958 64.958 62.985 1.973 18250 966 1 2 . 1 1 2 2 SER H H 2 7.955 7.955 8.710 -0.755 18250 967 1 2 . 1 1 3 3 GLN HA H 3 4.387 4.387 4.133 0.254 18250 968 1 2 . 1 1 3 3 GLN C C 3 179.078 179.078 177.632 1.446 18250 969 1 2 . 1 1 3 3 GLN CA C 3 56.616 56.616 58.849 -2.233 18250 970 1 2 . 1 1 3 3 GLN CB C 3 29.224 29.224 28.142 1.082 18250 971 1 2 . 1 1 4 4 SER N N 4 117.102 117.102 113.559 3.543 18250 972 1 2 . 1 1 4 4 SER HA H 4 4.465 4.465 4.439 0.026 18250 973 1 2 . 1 1 4 4 SER C C 4 175.930 175.930 176.450 -0.520 18250 974 1 2 . 1 1 4 4 SER CA C 4 58.994 58.994 60.700 -1.706 18250 975 1 2 . 1 1 4 4 SER CB C 4 63.490 63.490 62.535 0.955 18250 976 1 2 . 1 1 4 4 SER H H 4 8.647 8.647 8.339 0.308 18250 977 1 2 . 1 1 5 5 ASN N N 5 122.476 122.476 121.623 0.853 18250 978 1 2 . 1 1 5 5 ASN HA H 5 4.744 4.744 4.628 0.116 18250 979 1 2 . 1 1 5 5 ASN C C 5 177.378 177.378 177.434 -0.056 18250 980 1 2 . 1 1 5 5 ASN CA C 5 56.150 56.150 55.951 0.199 18250 981 1 2 . 1 1 5 5 ASN CB C 5 38.363 38.363 38.342 0.021 18250 982 1 2 . 1 1 5 5 ASN H H 5 8.603 8.603 8.292 0.311 18250 983 1 2 . 1 1 6 6 ARG N N 6 120.024 120.024 121.430 -1.406 18250 984 1 2 . 1 1 6 6 ARG HA H 6 3.927 3.927 4.025 -0.098 18250 985 1 2 . 1 1 6 6 ARG C C 6 177.331 177.331 178.073 -0.742 18250 986 1 2 . 1 1 6 6 ARG CA C 6 59.861 59.861 59.785 0.076 18250 987 1 2 . 1 1 6 6 ARG CB C 6 29.756 29.756 30.232 -0.476 18250 988 1 2 . 1 1 6 6 ARG H H 6 8.252 8.252 7.918 0.334 18250 989 1 2 . 1 1 7 7 GLU N N 7 117.799 117.799 119.772 -1.973 18250 990 1 2 . 1 1 7 7 GLU HA H 7 3.907 3.907 3.985 -0.078 18250 991 1 2 . 1 1 7 7 GLU C C 7 179.388 179.388 179.177 0.211 18250 992 1 2 . 1 1 7 7 GLU CA C 7 59.380 59.380 59.514 -0.134 18250 993 1 2 . 1 1 7 7 GLU CB C 7 29.624 29.624 29.319 0.305 18250 994 1 2 . 1 1 7 7 GLU H H 7 7.953 7.953 7.692 0.261 18250 995 1 2 . 1 1 8 8 LEU N N 8 119.794 119.794 119.264 0.530 18250 996 1 2 . 1 1 8 8 LEU HA H 8 3.875 3.875 3.987 -0.112 18250 997 1 2 . 1 1 8 8 LEU C C 8 178.368 178.368 179.374 -1.006 18250 998 1 2 . 1 1 8 8 LEU CA C 8 58.116 58.116 57.737 0.379 18250 999 1 2 . 1 1 8 8 LEU CB C 8 41.926 41.926 41.454 0.472 18250 1000 1 2 . 1 1 8 8 LEU H H 8 7.726 7.726 7.417 0.309 18250 1001 1 2 . 1 1 9 9 VAL N N 9 117.818 117.818 119.547 -1.729 18250 1002 1 2 . 1 1 9 9 VAL HA H 9 3.678 3.678 3.583 0.095 18250 1003 1 2 . 1 1 9 9 VAL C C 9 177.085 177.085 178.166 -1.081 18250 1004 1 2 . 1 1 9 9 VAL CA C 9 67.766 67.766 65.823 1.943 18250 1005 1 2 . 1 1 9 9 VAL CB C 9 32.429 32.429 30.694 1.735 18250 1006 1 2 . 1 1 9 9 VAL H H 9 7.765 7.765 7.737 0.028 18250 1007 1 2 . 1 1 10 10 VAL N N 10 117.317 117.317 120.086 -2.769 18250 1008 1 2 . 1 1 10 10 VAL HA H 10 2.926 2.926 3.160 -0.234 18250 1009 1 2 . 1 1 10 10 VAL C C 10 178.588 178.588 177.928 0.660 18250 1010 1 2 . 1 1 10 10 VAL CA C 10 67.029 67.029 66.750 0.279 18250 1011 1 2 . 1 1 10 10 VAL CB C 10 31.401 31.401 30.379 1.022 18250 1012 1 2 . 1 1 10 10 VAL H H 10 8.333 8.333 8.207 0.126 18250 1013 1 2 . 1 1 11 11 ASP N N 11 120.859 120.859 119.676 1.183 18250 1014 1 2 . 1 1 11 11 ASP HA H 11 4.083 4.083 4.244 -0.161 18250 1015 1 2 . 1 1 11 11 ASP C C 11 177.495 177.495 178.865 -1.370 18250 1016 1 2 . 1 1 11 11 ASP CA C 11 58.947 58.947 57.560 1.387 18250 1017 1 2 . 1 1 11 11 ASP CB C 11 43.345 43.345 40.838 2.507 18250 1018 1 2 . 1 1 11 11 ASP H H 11 8.070 8.070 8.195 -0.125 18250 1019 1 2 . 1 1 12 12 PHE N N 12 120.293 120.293 120.941 -0.648 18250 1020 1 2 . 1 1 12 12 PHE HA H 12 3.953 3.953 4.172 -0.219 18250 1021 1 2 . 1 1 12 12 PHE C C 12 178.083 178.083 177.262 0.821 18250 1022 1 2 . 1 1 12 12 PHE CA C 12 63.221 63.221 61.535 1.686 18250 1023 1 2 . 1 1 12 12 PHE CB C 12 40.134 40.134 39.470 0.664 18250 1024 1 2 . 1 1 12 12 PHE H H 12 8.327 8.327 7.685 0.642 18250 1025 1 2 . 1 1 13 13 LEU N N 13 116.845 116.845 119.899 -3.054 18250 1026 1 2 . 1 1 13 13 LEU HA H 13 3.990 3.990 3.884 0.106 18250 1027 1 2 . 1 1 13 13 LEU C C 13 179.454 179.454 179.026 0.428 18250 1028 1 2 . 1 1 13 13 LEU CA C 13 58.291 58.291 58.237 0.054 18250 1029 1 2 . 1 1 13 13 LEU CB C 13 41.739 41.739 41.214 0.525 18250 1030 1 2 . 1 1 13 13 LEU H H 13 8.907 8.907 8.875 0.032 18250 1031 1 2 . 1 1 14 14 SER N N 14 114.306 114.306 114.594 -0.288 18250 1032 1 2 . 1 1 14 14 SER HA H 14 4.257 4.257 4.292 -0.035 18250 1033 1 2 . 1 1 14 14 SER C C 14 177.281 177.281 176.858 0.423 18250 1034 1 2 . 1 1 14 14 SER CA C 14 62.641 62.641 61.746 0.895 18250 1035 1 2 . 1 1 14 14 SER CB C 14 62.594 62.594 63.105 -0.511 18250 1036 1 2 . 1 1 14 14 SER H H 14 8.503 8.503 8.300 0.203 18250 1037 1 2 . 1 1 15 15 TYR N N 15 124.988 124.988 123.305 1.683 18250 1038 1 2 . 1 1 15 15 TYR HA H 15 4.388 4.388 4.127 0.261 18250 1039 1 2 . 1 1 15 15 TYR C C 15 178.247 178.247 177.441 0.806 18250 1040 1 2 . 1 1 15 15 TYR CA C 15 60.311 60.311 61.893 -1.582 18250 1041 1 2 . 1 1 15 15 TYR CB C 15 37.990 37.990 38.275 -0.285 18250 1042 1 2 . 1 1 15 15 TYR H H 15 8.252 8.252 8.105 0.147 18250 1043 1 2 . 1 1 16 16 LYS N N 16 120.256 120.256 119.752 0.504 18250 1044 1 2 . 1 1 16 16 LYS HA H 16 3.829 3.829 3.992 -0.163 18250 1045 1 2 . 1 1 16 16 LYS C C 16 180.272 180.272 179.145 1.127 18250 1046 1 2 . 1 1 16 16 LYS CA C 16 57.063 57.063 57.910 -0.847 18250 1047 1 2 . 1 1 16 16 LYS CB C 16 29.849 29.849 31.892 -2.043 18250 1048 1 2 . 1 1 16 16 LYS H H 16 8.331 8.331 7.915 0.416 18250 1049 1 2 . 1 1 17 17 LEU N N 17 118.564 118.564 119.994 -1.430 18250 1050 1 2 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.104 -0.029 18250 1051 1 2 . 1 1 17 17 LEU C C 17 179.917 179.917 178.608 1.309 18250 1052 1 2 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.201 0.492 18250 1053 1 2 . 1 1 17 17 LEU CB C 17 41.178 41.178 41.911 -0.733 18250 1054 1 2 . 1 1 17 17 LEU H H 17 8.726 8.726 8.353 0.373 18250 1055 1 2 . 1 1 18 18 SER N N 18 117.861 117.861 115.257 2.604 18250 1056 1 2 . 1 1 18 18 SER HA H 18 4.696 4.696 4.375 0.321 18250 1057 1 2 . 1 1 18 18 SER C C 18 178.612 178.612 177.248 1.364 18250 1058 1 2 . 1 1 18 18 SER CA C 18 61.783 61.783 60.954 0.829 18250 1059 1 2 . 1 1 18 18 SER CB C 18 62.613 62.613 62.998 -0.385 18250 1060 1 2 . 1 1 18 18 SER H H 18 8.394 8.394 8.491 -0.097 18250 1061 1 2 . 1 1 19 19 GLN N N 19 122.899 122.899 120.833 2.066 18250 1062 1 2 . 1 1 19 19 GLN HA H 19 4.017 4.017 4.018 -0.001 18250 1063 1 2 . 1 1 19 19 GLN C C 19 177.237 177.237 177.030 0.207 18250 1064 1 2 . 1 1 19 19 GLN CA C 19 58.536 58.536 58.115 0.421 18250 1065 1 2 . 1 1 19 19 GLN CB C 19 28.795 28.795 28.632 0.163 18250 1066 1 2 . 1 1 19 19 GLN H H 19 7.691 7.691 7.517 0.174 18250 1067 1 2 . 1 1 20 20 LYS N N 20 116.425 116.425 116.751 -0.326 18250 1068 1 2 . 1 1 20 20 LYS HA H 20 4.425 4.425 4.192 0.233 18250 1069 1 2 . 1 1 20 20 LYS C C 20 175.581 175.581 175.938 -0.357 18250 1070 1 2 . 1 1 20 20 LYS CA C 20 54.032 54.032 55.407 -1.375 18250 1071 1 2 . 1 1 20 20 LYS CB C 20 32.659 32.659 32.151 0.508 18250 1072 1 2 . 1 1 20 20 LYS H H 20 7.268 7.268 7.384 -0.116 18250 1073 1 2 . 1 1 21 21 GLY N N 21 105.593 105.593 107.278 -1.685 18250 1074 1 2 . 1 1 21 21 GLY C C 21 174.012 174.012 174.230 -0.218 18250 1075 1 2 . 1 1 21 21 GLY CA C 21 45.316 45.316 45.555 -0.239 18250 1076 1 2 . 1 1 21 21 GLY H H 21 7.620 7.620 7.596 0.024 18250 1077 1 2 . 1 1 22 22 TYR N N 22 119.884 119.884 119.302 0.582 18250 1078 1 2 . 1 1 22 22 TYR HA H 22 5.047 5.047 4.872 0.175 18250 1079 1 2 . 1 1 22 22 TYR C C 22 175.024 175.024 174.712 0.312 18250 1080 1 2 . 1 1 22 22 TYR CA C 22 55.645 55.645 55.253 0.392 18250 1081 1 2 . 1 1 22 22 TYR CB C 22 40.969 40.969 40.541 0.428 18250 1082 1 2 . 1 1 22 22 TYR H H 22 7.892 7.892 8.096 -0.204 18250 1083 1 2 . 1 1 23 23 SER N N 23 115.410 115.410 116.659 -1.249 18250 1084 1 2 . 1 1 23 23 SER HA H 23 4.863 4.863 4.818 0.045 18250 1085 1 2 . 1 1 23 23 SER C C 23 174.483 174.483 175.307 -0.824 18250 1086 1 2 . 1 1 23 23 SER CA C 23 56.776 56.776 55.607 1.169 18250 1087 1 2 . 1 1 23 23 SER CB C 23 64.778 64.778 64.166 0.612 18250 1088 1 2 . 1 1 23 23 SER H H 23 8.561 8.561 8.667 -0.106 18250 1089 1 2 . 1 1 24 24 TRP N N 24 127.533 127.533 129.922 -2.389 18250 1090 1 2 . 1 1 24 24 TRP HA H 24 4.346 4.346 4.675 -0.329 18250 1091 1 2 . 1 1 24 24 TRP C C 24 176.876 176.876 176.629 0.247 18250 1092 1 2 . 1 1 24 24 TRP CA C 24 60.051 60.051 60.702 -0.651 18250 1093 1 2 . 1 1 24 24 TRP CB C 24 30.824 30.824 29.838 0.986 18250 1094 1 2 . 1 1 24 24 TRP H H 24 9.026 9.026 9.511 -0.485 18250 1095 1 2 . 1 1 25 25 SER N N 25 112.236 112.236 114.262 -2.026 18250 1096 1 2 . 1 1 25 25 SER HA H 25 4.104 4.104 4.064 0.040 18250 1097 1 2 . 1 1 25 25 SER C C 25 175.164 175.164 176.669 -1.505 18250 1098 1 2 . 1 1 25 25 SER CA C 25 60.033 60.033 61.277 -1.244 18250 1099 1 2 . 1 1 25 25 SER CB C 25 62.931 62.931 62.486 0.445 18250 1100 1 2 . 1 1 25 25 SER H H 25 8.236 8.236 8.275 -0.039 18250 1101 1 2 . 1 1 26 26 GLN N N 26 119.530 119.530 121.330 -1.800 18250 1102 1 2 . 1 1 26 26 GLN HA H 26 3.895 3.895 3.960 -0.065 18250 1103 1 2 . 1 1 26 26 GLN C C 26 176.075 176.075 176.472 -0.397 18250 1104 1 2 . 1 1 26 26 GLN CA C 26 56.959 56.959 57.092 -0.133 18250 1105 1 2 . 1 1 26 26 GLN CB C 26 28.764 28.764 28.053 0.711 18250 1106 1 2 . 1 1 26 26 GLN H H 26 7.467 7.467 7.394 0.073 18250 1107 1 2 . 1 1 27 27 PHE N N 27 116.668 116.668 115.137 1.531 18250 1108 1 2 . 1 1 27 27 PHE HA H 27 4.594 4.594 4.502 0.092 18250 1109 1 2 . 1 1 27 27 PHE C C 27 175.107 175.107 174.830 0.277 18250 1110 1 2 . 1 1 27 27 PHE CA C 27 56.629 56.629 57.104 -0.475 18250 1111 1 2 . 1 1 27 27 PHE CB C 27 39.909 39.909 38.820 1.089 18250 1112 1 2 . 1 1 27 27 PHE H H 27 7.343 7.343 7.214 0.129 18250 1113 1 2 . 1 1 28 28 SER N N 28 114.121 114.121 114.580 -0.459 18250 1114 1 2 . 1 1 28 28 SER HA H 28 4.151 4.151 4.400 -0.249 18250 1115 1 2 . 1 1 28 28 SER C C 28 173.703 173.703 173.657 0.046 18250 1116 1 2 . 1 1 28 28 SER CA C 28 57.662 57.662 57.054 0.608 18250 1117 1 2 . 1 1 28 28 SER CB C 28 63.931 63.931 65.139 -1.208 18250 1118 1 2 . 1 1 28 28 SER H H 28 7.336 7.336 7.154 0.182 18250 1119 1 2 . 1 1 29 29 ASP N N 29 122.733 122.733 122.777 -0.044 18250 1120 1 2 . 1 1 29 29 ASP HA H 29 4.601 4.601 4.676 -0.075 18250 1121 1 2 . 1 1 29 29 ASP C C 29 176.320 176.320 176.860 -0.540 18250 1122 1 2 . 1 1 29 29 ASP CA C 29 54.194 54.194 54.482 -0.288 18250 1123 1 2 . 1 1 29 29 ASP CB C 29 41.145 41.145 40.497 0.648 18250 1124 1 2 . 1 1 29 29 ASP H H 29 8.370 8.370 8.598 -0.228 18250 1125 1 2 . 1 1 30 30 VAL N N 30 119.197 119.197 125.547 -6.350 18250 1126 1 2 . 1 1 30 30 VAL HA H 30 4.096 4.096 3.681 0.415 18250 1127 1 2 . 1 1 30 30 VAL C C 30 176.232 176.232 176.673 -0.441 18250 1128 1 2 . 1 1 30 30 VAL CA C 30 62.417 62.417 66.000 -3.583 18250 1129 1 2 . 1 1 30 30 VAL CB C 30 33.024 33.024 32.238 0.786 18250 1130 1 2 . 1 1 30 30 VAL H H 30 7.968 7.968 7.904 0.064 18250 1131 1 2 . 1 1 31 31 GLU N N 31 124.470 124.470 115.604 8.866 18250 1132 1 2 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.190 0.070 18250 1133 1 2 . 1 1 31 31 GLU C C 31 176.526 176.526 177.500 -0.974 18250 1134 1 2 . 1 1 31 31 GLU CA C 31 56.706 56.706 58.175 -1.468 18250 1135 1 2 . 1 1 31 31 GLU CB C 31 30.250 30.250 28.983 1.267 18250 1136 1 2 . 1 1 31 31 GLU H H 31 8.502 8.502 8.530 -0.028 18250 1137 1 2 . 1 1 32 32 GLU N N 32 122.145 122.145 117.887 4.258 18250 1138 1 2 . 1 1 32 32 GLU HA H 32 4.233 4.233 4.289 -0.056 18250 1139 1 2 . 1 1 32 32 GLU C C 32 176.172 176.172 176.911 -0.739 18250 1140 1 2 . 1 1 32 32 GLU CA C 32 56.732 56.732 57.583 -0.851 18250 1141 1 2 . 1 1 32 32 GLU CB C 32 30.643 30.643 30.291 0.352 18250 1142 1 2 . 1 1 32 32 GLU H H 32 8.426 8.426 8.289 0.137 18250 1143 1 2 . 1 1 33 33 ASN N N 33 119.562 119.562 117.623 1.939 18250 1144 1 2 . 1 1 33 33 ASN HA H 33 4.708 4.708 4.791 -0.083 18250 1145 1 2 . 1 1 33 33 ASN C C 33 174.983 174.983 174.006 0.977 18250 1146 1 2 . 1 1 33 33 ASN CA C 33 53.360 53.360 52.370 0.990 18250 1147 1 2 . 1 1 33 33 ASN CB C 33 38.994 38.994 39.304 -0.311 18250 1148 1 2 . 1 1 33 33 ASN H H 33 8.503 8.503 8.039 0.464 18250 1149 1 2 . 1 1 34 34 ARG N N 34 122.040 122.040 124.596 -2.556 18250 1150 1 2 . 1 1 34 34 ARG HA H 34 4.411 4.411 4.345 0.066 18250 1151 1 2 . 1 1 34 34 ARG C C 34 176.470 176.470 175.938 0.532 18250 1152 1 2 . 1 1 34 34 ARG CA C 34 56.151 56.151 56.464 -0.313 18250 1153 1 2 . 1 1 34 34 ARG CB C 34 30.891 30.891 29.214 1.677 18250 1154 1 2 . 1 1 34 34 ARG H H 34 8.330 8.330 8.476 -0.146 18250 1155 1 2 . 1 1 35 35 THR N N 35 115.850 115.850 119.004 -3.154 18250 1156 1 2 . 1 1 35 35 THR HA H 35 4.329 4.329 4.455 -0.126 18250 1157 1 2 . 1 1 35 35 THR C C 35 174.429 174.429 174.916 -0.487 18250 1158 1 2 . 1 1 35 35 THR CA C 35 62.079 62.079 61.314 0.765 18250 1159 1 2 . 1 1 35 35 THR CB C 35 69.825 69.825 69.220 0.605 18250 1160 1 2 . 1 1 35 35 THR H H 35 8.283 8.283 8.130 0.153 18250 1161 1 2 . 1 1 36 36 GLU N N 36 123.074 123.074 127.929 -4.855 18250 1162 1 2 . 1 1 36 36 GLU HA H 36 4.311 4.311 4.445 -0.134 18250 1163 1 2 . 1 1 36 36 GLU C C 36 175.641 175.641 175.840 -0.199 18250 1164 1 2 . 1 1 36 36 GLU CA C 36 56.396 56.396 55.735 0.661 18250 1165 1 2 . 1 1 36 36 GLU CB C 36 30.379 30.379 28.864 1.515 18250 1166 1 2 . 1 1 36 36 GLU H H 36 8.402 8.402 8.730 -0.328 18250 1167 1 2 . 1 1 37 37 ALA N N 37 126.190 126.190 129.810 -3.620 18250 1168 1 2 . 1 1 37 37 ALA HA H 37 4.613 4.613 4.580 0.033 18250 1169 1 2 . 1 1 37 37 ALA C C 37 175.419 175.419 175.746 -0.327 18250 1170 1 2 . 1 1 37 37 ALA CA C 37 50.532 50.532 50.494 0.038 18250 1171 1 2 . 1 1 37 37 ALA CB C 37 18.633 18.633 18.980 -0.347 18250 1172 1 2 . 1 1 37 37 ALA H H 37 8.314 8.314 8.126 0.188 18250 1173 1 2 . 1 1 38 38 PRO HA H 38 4.427 4.427 4.541 -0.114 18250 1174 1 2 . 1 1 38 38 PRO C C 38 177.029 177.029 175.997 1.032 18250 1175 1 2 . 1 1 38 38 PRO CA C 38 63.216 63.216 62.212 1.004 18250 1176 1 2 . 1 1 38 38 PRO CB C 38 32.134 32.134 32.626 -0.492 18250 1177 1 2 . 1 1 39 39 GLU N N 39 121.295 121.295 122.157 -0.862 18250 1178 1 2 . 1 1 39 39 GLU HA H 39 4.301 4.301 4.408 -0.107 18250 1179 1 2 . 1 1 39 39 GLU C C 39 177.079 177.079 177.102 -0.023 18250 1180 1 2 . 1 1 39 39 GLU CA C 39 56.836 56.836 56.086 0.750 18250 1181 1 2 . 1 1 39 39 GLU CB C 39 30.441 30.441 29.785 0.655 18250 1182 1 2 . 1 1 39 39 GLU H H 39 8.640 8.640 8.495 0.145 18250 1183 1 2 . 1 1 40 40 GLY N N 40 110.317 110.317 113.524 -3.207 18250 1184 1 2 . 1 1 40 40 GLY C C 40 174.602 174.602 175.440 -0.838 18250 1185 1 2 . 1 1 40 40 GLY CA C 40 45.485 45.485 44.713 0.772 18250 1186 1 2 . 1 1 40 40 GLY H H 40 8.521 8.521 9.374 -0.853 18250 1187 1 2 . 1 1 41 41 THR N N 41 113.178 113.178 118.046 -4.868 18250 1188 1 2 . 1 1 41 41 THR HA H 41 4.385 4.385 3.898 0.487 18250 1189 1 2 . 1 1 41 41 THR C C 41 175.499 175.499 176.813 -1.314 18250 1190 1 2 . 1 1 41 41 THR CA C 41 62.273 62.273 66.041 -3.768 18250 1191 1 2 . 1 1 41 41 THR CB C 41 69.917 69.917 68.729 1.188 18250 1192 1 2 . 1 1 41 41 THR H H 41 8.268 8.268 8.490 -0.222 18250 1193 1 2 . 1 1 42 42 GLU N N 42 123.140 123.140 122.333 0.807 18250 1194 1 2 . 1 1 42 42 GLU HA H 42 4.371 4.371 4.094 0.277 18250 1195 1 2 . 1 1 42 42 GLU C C 42 177.161 177.161 178.028 -0.867 18250 1196 1 2 . 1 1 42 42 GLU CA C 42 57.492 57.492 59.221 -1.729 18250 1197 1 2 . 1 1 42 42 GLU CB C 42 29.924 29.924 28.986 0.938 18250 1198 1 2 . 1 1 42 42 GLU H H 42 8.847 8.847 8.789 0.058 18250 1199 1 2 . 1 1 43 43 SER N N 43 115.679 115.679 115.406 0.273 18250 1200 1 2 . 1 1 43 43 SER HA H 43 4.430 4.430 3.968 0.462 18250 1201 1 2 . 1 1 43 43 SER C C 43 175.673 175.673 176.538 -0.865 18250 1202 1 2 . 1 1 43 43 SER CA C 43 58.925 58.925 61.222 -2.297 18250 1203 1 2 . 1 1 43 43 SER CB C 43 63.710 63.710 62.749 0.961 18250 1204 1 2 . 1 1 43 43 SER H H 43 8.510 8.510 8.382 0.128 18250 1205 1 2 . 1 1 44 44 GLU N N 44 123.102 123.102 120.560 2.542 18250 1206 1 2 . 1 1 44 44 GLU HA H 44 3.992 3.992 3.946 0.046 18250 1207 1 2 . 1 1 44 44 GLU C C 44 177.924 177.924 178.442 -0.518 18250 1208 1 2 . 1 1 44 44 GLU CA C 44 59.074 59.074 58.953 0.121 18250 1209 1 2 . 1 1 44 44 GLU CB C 44 29.413 29.413 29.411 0.002 18250 1210 1 2 . 1 1 44 44 GLU H H 44 8.350 8.350 7.740 0.610 18250 1211 1 2 . 1 1 45 45 ALA N N 45 120.958 120.958 122.573 -1.615 18250 1212 1 2 . 1 1 45 45 ALA HA H 45 4.131 4.131 4.138 -0.007 18250 1213 1 2 . 1 1 45 45 ALA C C 45 180.641 180.641 179.250 1.391 18250 1214 1 2 . 1 1 45 45 ALA CA C 45 55.157 55.157 54.786 0.371 18250 1215 1 2 . 1 1 45 45 ALA CB C 45 18.575 18.575 18.909 -0.334 18250 1216 1 2 . 1 1 45 45 ALA H H 45 8.227 8.227 7.635 0.592 18250 1217 1 2 . 1 1 46 46 VAL N N 46 118.867 118.867 119.421 -0.554 18250 1218 1 2 . 1 1 46 46 VAL HA H 46 3.496 3.496 3.594 -0.098 18250 1219 1 2 . 1 1 46 46 VAL C C 46 176.724 176.724 176.788 -0.064 18250 1220 1 2 . 1 1 46 46 VAL CA C 46 66.189 66.189 65.213 0.976 18250 1221 1 2 . 1 1 46 46 VAL CB C 46 31.811 31.811 31.125 0.686 18250 1222 1 2 . 1 1 46 46 VAL H H 46 7.569 7.569 7.415 0.154 18250 1223 1 2 . 1 1 47 47 LYS N N 47 117.922 117.922 119.740 -1.818 18250 1224 1 2 . 1 1 47 47 LYS HA H 47 3.719 3.719 3.724 -0.005 18250 1225 1 2 . 1 1 47 47 LYS C C 47 178.888 178.888 178.493 0.395 18250 1226 1 2 . 1 1 47 47 LYS CA C 47 59.801 59.801 59.989 -0.188 18250 1227 1 2 . 1 1 47 47 LYS CB C 47 32.514 32.514 31.944 0.570 18250 1228 1 2 . 1 1 47 47 LYS H H 47 7.437 7.437 8.234 -0.797 18250 1229 1 2 . 1 1 48 48 GLN N N 48 116.490 116.490 118.553 -2.063 18250 1230 1 2 . 1 1 48 48 GLN HA H 48 3.712 3.712 4.022 -0.310 18250 1231 1 2 . 1 1 48 48 GLN C C 48 177.625 177.625 177.879 -0.254 18250 1232 1 2 . 1 1 48 48 GLN CA C 48 59.027 59.027 58.497 0.530 18250 1233 1 2 . 1 1 48 48 GLN CB C 48 28.103 28.103 28.714 -0.611 18250 1234 1 2 . 1 1 48 48 GLN H H 48 8.168 8.168 7.391 0.777 18250 1235 1 2 . 1 1 49 49 ALA N N 49 120.362 120.362 123.811 -3.449 18250 1236 1 2 . 1 1 49 49 ALA HA H 49 4.227 4.227 3.808 0.419 18250 1237 1 2 . 1 1 49 49 ALA C C 49 179.807 179.807 179.495 0.312 18250 1238 1 2 . 1 1 49 49 ALA CA C 49 54.930 54.930 55.202 -0.272 18250 1239 1 2 . 1 1 49 49 ALA CB C 49 18.708 18.708 18.184 0.524 18250 1240 1 2 . 1 1 49 49 ALA H H 49 7.789 7.789 8.070 -0.281 18250 1241 1 2 . 1 1 50 50 LEU N N 50 120.591 120.591 118.273 2.318 18250 1242 1 2 . 1 1 50 50 LEU HA H 50 4.151 4.151 3.997 0.154 18250 1243 1 2 . 1 1 50 50 LEU C C 50 179.225 179.225 179.189 0.036 18250 1244 1 2 . 1 1 50 50 LEU CA C 50 58.581 58.581 57.292 1.289 18250 1245 1 2 . 1 1 50 50 LEU CB C 50 42.279 42.279 39.993 2.286 18250 1246 1 2 . 1 1 50 50 LEU H H 50 8.491 8.491 8.573 -0.082 18250 1247 1 2 . 1 1 51 51 ARG N N 51 118.934 118.934 120.592 -1.658 18250 1248 1 2 . 1 1 51 51 ARG HA H 51 3.772 3.772 4.041 -0.269 18250 1249 1 2 . 1 1 51 51 ARG C C 51 178.618 178.618 178.630 -0.012 18250 1250 1 2 . 1 1 51 51 ARG CA C 51 60.954 60.954 59.889 1.065 18250 1251 1 2 . 1 1 51 51 ARG CB C 51 30.888 30.888 30.001 0.887 18250 1252 1 2 . 1 1 51 51 ARG H H 51 8.170 8.170 7.605 0.565 18250 1253 1 2 . 1 1 52 52 GLU N N 52 116.532 116.532 118.408 -1.876 18250 1254 1 2 . 1 1 52 52 GLU HA H 52 4.156 4.156 4.187 -0.031 18250 1255 1 2 . 1 1 52 52 GLU C C 52 179.937 179.937 178.736 1.201 18250 1256 1 2 . 1 1 52 52 GLU CA C 52 59.383 59.383 58.571 0.812 18250 1257 1 2 . 1 1 52 52 GLU CB C 52 29.640 29.640 29.672 -0.033 18250 1258 1 2 . 1 1 52 52 GLU H H 52 7.914 7.914 7.853 0.061 18250 1259 1 2 . 1 1 53 53 ALA N N 53 123.226 123.226 122.711 0.515 18250 1260 1 2 . 1 1 53 53 ALA HA H 53 4.473 4.473 3.749 0.724 18250 1261 1 2 . 1 1 53 53 ALA C C 53 181.683 181.683 179.144 2.539 18250 1262 1 2 . 1 1 53 53 ALA CA C 53 55.114 55.114 54.561 0.553 18250 1263 1 2 . 1 1 53 53 ALA CB C 53 19.476 19.476 18.021 1.455 18250 1264 1 2 . 1 1 53 53 ALA H H 53 8.902 8.902 8.261 0.641 18250 1265 1 2 . 1 1 54 54 GLY N N 54 108.711 108.711 106.352 2.359 18250 1266 1 2 . 1 1 54 54 GLY C C 54 175.330 175.330 175.856 -0.526 18250 1267 1 2 . 1 1 54 54 GLY CA C 54 47.111 47.111 47.229 -0.118 18250 1268 1 2 . 1 1 54 54 GLY H H 54 9.186 9.186 8.648 0.538 18250 1269 1 2 . 1 1 55 55 ASP N N 55 122.891 122.891 121.175 1.716 18250 1270 1 2 . 1 1 55 55 ASP C C 55 179.023 179.023 177.721 1.302 18250 1271 1 2 . 1 1 55 55 ASP CA C 55 57.752 57.752 57.184 0.568 18250 1272 1 2 . 1 1 55 55 ASP CB C 55 39.839 39.839 41.145 -1.306 18250 1273 1 2 . 1 1 55 55 ASP H H 55 8.224 8.224 7.714 0.510 18250 1274 1 2 . 1 1 56 56 GLU N N 56 120.753 120.753 120.495 0.258 18250 1275 1 2 . 1 1 56 56 GLU HA H 56 4.180 4.180 4.077 0.103 18250 1276 1 2 . 1 1 56 56 GLU C C 56 178.472 178.472 178.653 -0.181 18250 1277 1 2 . 1 1 56 56 GLU CA C 56 59.600 59.600 59.195 0.405 18250 1278 1 2 . 1 1 56 56 GLU CB C 56 29.782 29.782 29.876 -0.094 18250 1279 1 2 . 1 1 56 56 GLU H H 56 8.282 8.282 7.569 0.713 18250 1280 1 2 . 1 1 57 57 PHE N N 57 121.604 121.604 119.939 1.665 18250 1281 1 2 . 1 1 57 57 PHE HA H 57 4.341 4.341 4.298 0.043 18250 1282 1 2 . 1 1 57 57 PHE C C 57 177.008 177.008 177.714 -0.706 18250 1283 1 2 . 1 1 57 57 PHE CA C 57 61.915 61.915 61.551 0.364 18250 1284 1 2 . 1 1 57 57 PHE CB C 57 40.025 40.025 39.438 0.587 18250 1285 1 2 . 1 1 57 57 PHE H H 57 8.671 8.671 8.709 -0.038 18250 1286 1 2 . 1 1 58 58 GLU N N 58 116.765 116.765 120.137 -3.372 18250 1287 1 2 . 1 1 58 58 GLU HA H 58 3.667 3.667 3.906 -0.239 18250 1288 1 2 . 1 1 58 58 GLU C C 58 177.661 177.661 178.006 -0.345 18250 1289 1 2 . 1 1 58 58 GLU CA C 58 58.795 58.795 59.016 -0.221 18250 1290 1 2 . 1 1 58 58 GLU CB C 58 29.783 29.783 29.188 0.595 18250 1291 1 2 . 1 1 58 58 GLU H H 58 8.136 8.136 7.959 0.177 18250 1292 1 2 . 1 1 59 59 LEU N N 59 117.344 117.344 118.178 -0.834 18250 1293 1 2 . 1 1 59 59 LEU HA H 59 4.201 4.201 4.218 -0.017 18250 1294 1 2 . 1 1 59 59 LEU C C 59 178.953 178.953 178.600 0.353 18250 1295 1 2 . 1 1 59 59 LEU CA C 59 56.973 56.973 56.709 0.264 18250 1296 1 2 . 1 1 59 59 LEU CB C 59 42.976 42.976 42.463 0.513 18250 1297 1 2 . 1 1 59 59 LEU H H 59 7.513 7.513 7.748 -0.235 18250 1298 1 2 . 1 1 60 60 ARG N N 60 117.779 117.779 117.740 0.039 18250 1299 1 2 . 1 1 60 60 ARG HA H 60 3.957 3.957 4.151 -0.194 18250 1300 1 2 . 1 1 60 60 ARG C C 60 177.342 177.342 177.214 0.128 18250 1301 1 2 . 1 1 60 60 ARG CA C 60 57.901 57.901 57.217 0.684 18250 1302 1 2 . 1 1 60 60 ARG CB C 60 31.153 31.153 31.329 -0.176 18250 1303 1 2 . 1 1 60 60 ARG H H 60 8.072 8.072 7.750 0.322 18250 1304 1 2 . 1 1 61 61 TYR N N 61 119.056 119.056 117.053 2.003 18250 1305 1 2 . 1 1 61 61 TYR HA H 61 4.744 4.744 4.694 0.050 18250 1306 1 2 . 1 1 61 61 TYR C C 61 175.214 175.214 175.316 -0.102 18250 1307 1 2 . 1 1 61 61 TYR CA C 61 56.294 56.294 55.556 0.738 18250 1308 1 2 . 1 1 61 61 TYR CB C 61 37.024 37.024 37.400 -0.376 18250 1309 1 2 . 1 1 61 61 TYR H H 61 8.050 8.050 7.896 0.154 18250 1310 1 2 . 1 1 62 62 ARG N N 62 119.956 119.956 122.566 -2.610 18250 1311 1 2 . 1 1 62 62 ARG HA H 62 4.058 4.058 4.003 0.055 18250 1312 1 2 . 1 1 62 62 ARG C C 62 178.183 178.183 177.628 0.555 18250 1313 1 2 . 1 1 62 62 ARG CA C 62 59.025 59.025 60.100 -1.075 18250 1314 1 2 . 1 1 62 62 ARG CB C 62 30.139 30.139 30.060 0.079 18250 1315 1 2 . 1 1 62 62 ARG H H 62 7.419 7.419 8.341 -0.922 18250 1316 1 2 . 1 1 63 63 ARG HA H 63 4.222 4.222 4.160 0.062 18250 1317 1 2 . 1 1 63 63 ARG C C 63 177.387 177.387 178.267 -0.880 18250 1318 1 2 . 1 1 63 63 ARG CA C 63 57.730 57.730 58.937 -1.207 18250 1319 1 2 . 1 1 63 63 ARG CB C 63 29.179 29.179 29.595 -0.415 18250 1320 1 2 . 1 1 64 64 ALA N N 64 122.003 122.003 122.526 -0.523 18250 1321 1 2 . 1 1 64 64 ALA HA H 64 4.100 4.100 4.290 -0.190 18250 1322 1 2 . 1 1 64 64 ALA C C 64 179.975 179.975 179.616 0.359 18250 1323 1 2 . 1 1 64 64 ALA CA C 64 54.579 54.579 54.761 -0.182 18250 1324 1 2 . 1 1 64 64 ALA CB C 64 18.636 18.636 18.346 0.290 18250 1325 1 2 . 1 1 64 64 ALA H H 64 7.868 7.868 7.606 0.262 18250 1326 1 2 . 1 1 65 65 PHE N N 65 115.858 115.858 120.296 -4.438 18250 1327 1 2 . 1 1 65 65 PHE HA H 65 4.800 4.800 4.665 0.135 18250 1328 1 2 . 1 1 65 65 PHE C C 65 177.376 177.376 177.880 -0.504 18250 1329 1 2 . 1 1 65 65 PHE CA C 65 58.222 58.222 61.860 -3.638 18250 1330 1 2 . 1 1 65 65 PHE CB C 65 38.877 38.877 39.544 -0.667 18250 1331 1 2 . 1 1 65 65 PHE H H 65 8.579 8.579 8.381 0.198 18250 1332 1 2 . 1 1 66 66 SER N N 66 116.942 116.942 114.760 2.182 18250 1333 1 2 . 1 1 66 66 SER HA H 66 4.223 4.223 4.265 -0.042 18250 1334 1 2 . 1 1 66 66 SER C C 66 176.472 176.472 176.544 -0.072 18250 1335 1 2 . 1 1 66 66 SER CA C 66 61.764 61.764 61.817 -0.053 18250 1336 1 2 . 1 1 66 66 SER CB C 66 63.012 63.012 62.646 0.366 18250 1337 1 2 . 1 1 66 66 SER H H 66 8.232 8.232 8.856 -0.624 18250 1338 1 2 . 1 1 67 67 ASP N N 67 121.623 121.623 122.683 -1.060 18250 1339 1 2 . 1 1 67 67 ASP HA H 67 4.487 4.487 4.494 -0.007 18250 1340 1 2 . 1 1 67 67 ASP C C 67 178.404 178.404 178.416 -0.012 18250 1341 1 2 . 1 1 67 67 ASP CA C 67 56.827 56.827 56.705 0.122 18250 1342 1 2 . 1 1 67 67 ASP CB C 67 40.176 40.176 41.085 -0.909 18250 1343 1 2 . 1 1 67 67 ASP H H 67 8.476 8.476 7.536 0.940 18250 1344 1 2 . 1 1 68 68 LEU N N 68 121.200 121.200 118.924 2.276 18250 1345 1 2 . 1 1 68 68 LEU HA H 68 4.104 4.104 3.875 0.229 18250 1346 1 2 . 1 1 68 68 LEU C C 68 179.046 179.046 178.547 0.499 18250 1347 1 2 . 1 1 68 68 LEU CA C 68 57.972 57.972 57.418 0.554 18250 1348 1 2 . 1 1 68 68 LEU CB C 68 42.555 42.555 41.608 0.947 18250 1349 1 2 . 1 1 68 68 LEU H H 68 7.889 7.889 8.557 -0.668 18250 1350 1 2 . 1 1 69 69 THR N N 69 110.282 110.282 110.887 -0.605 18250 1351 1 2 . 1 1 69 69 THR HA H 69 4.086 4.086 3.654 0.432 18250 1352 1 2 . 1 1 69 69 THR C C 69 177.457 177.457 176.221 1.236 18250 1353 1 2 . 1 1 69 69 THR CA C 69 65.839 65.839 65.678 0.161 18250 1354 1 2 . 1 1 69 69 THR CB C 69 68.442 68.442 67.961 0.481 18250 1355 1 2 . 1 1 69 69 THR H H 69 8.493 8.493 7.928 0.565 18250 1356 1 2 . 1 1 70 70 SER N N 70 116.582 116.582 116.459 0.123 18250 1357 1 2 . 1 1 70 70 SER HA H 70 4.330 4.330 4.289 0.041 18250 1358 1 2 . 1 1 70 70 SER C C 70 175.607 175.607 176.566 -0.959 18250 1359 1 2 . 1 1 70 70 SER CA C 70 60.676 60.676 60.981 -0.305 18250 1360 1 2 . 1 1 70 70 SER CB C 70 63.301 63.301 62.771 0.530 18250 1361 1 2 . 1 1 70 70 SER H H 70 7.754 7.754 7.545 0.209 18250 1362 1 2 . 1 1 71 71 GLN N N 71 119.129 119.129 121.630 -2.501 18250 1363 1 2 . 1 1 71 71 GLN HA H 71 4.108 4.108 4.194 -0.086 18250 1364 1 2 . 1 1 71 71 GLN C C 71 176.338 176.338 176.824 -0.486 18250 1365 1 2 . 1 1 71 71 GLN CA C 71 57.407 57.407 58.031 -0.624 18250 1366 1 2 . 1 1 71 71 GLN CB C 71 29.533 29.533 28.793 0.741 18250 1367 1 2 . 1 1 71 71 GLN H H 71 7.754 7.754 7.293 0.461 18250 1368 1 2 . 1 1 72 72 LEU N N 72 118.804 118.804 118.105 0.699 18250 1369 1 2 . 1 1 72 72 LEU HA H 72 4.312 4.312 4.244 0.068 18250 1370 1 2 . 1 1 72 72 LEU C C 72 174.285 174.285 175.719 -1.434 18250 1371 1 2 . 1 1 72 72 LEU CA C 72 55.437 55.437 53.006 2.431 18250 1372 1 2 . 1 1 72 72 LEU CB C 72 43.888 43.888 41.605 2.284 18250 1373 1 2 . 1 1 72 72 LEU H H 72 7.577 7.577 7.397 0.180 18250 1374 1 2 . 1 1 73 73 HIS HA H 73 4.644 4.644 4.308 0.336 18250 1375 1 2 . 1 1 73 73 HIS C C 73 174.452 174.452 175.317 -0.865 18250 1376 1 2 . 1 1 73 73 HIS CA C 73 54.964 54.964 54.865 0.099 18250 1377 1 2 . 1 1 73 73 HIS CB C 73 28.747 28.747 29.073 -0.326 18250 1378 1 2 . 1 1 74 74 ILE N N 74 122.470 122.470 126.754 -4.284 18250 1379 1 2 . 1 1 74 74 ILE HA H 74 4.207 4.207 4.032 0.175 18250 1380 1 2 . 1 1 74 74 ILE CA C 74 61.962 61.962 60.772 1.190 18250 1381 1 2 . 1 1 74 74 ILE CB C 74 38.952 38.952 38.004 0.948 18250 1382 1 2 . 1 1 74 74 ILE H H 74 8.767 8.767 7.915 0.852 18250 1383 1 2 . 1 1 75 75 THR N N 75 120.535 120.535 126.341 -5.806 18250 1384 1 2 . 1 1 75 75 THR HA H 75 4.325 4.325 4.749 -0.424 18250 1385 1 2 . 1 1 75 75 THR H H 75 7.953 7.953 7.708 0.245 18250 1386 1 2 . 1 1 77 77 GLY CA C 77 44.791 44.791 44.797 -0.006 18250 1387 1 2 . 1 1 78 78 THR N N 78 130.040 130.040 120.466 9.574 18250 1388 1 2 . 1 1 78 78 THR HA H 78 4.147 4.147 3.967 0.180 18250 1389 1 2 . 1 1 78 78 THR H H 78 8.795 8.795 8.158 0.637 18250 1390 1 2 . 1 1 79 79 ALA HA H 79 4.827 4.827 4.394 0.433 18250 1391 1 2 . 1 1 79 79 ALA C C 79 177.644 177.644 177.744 -0.100 18250 1392 1 2 . 1 1 79 79 ALA CA C 79 51.117 51.117 50.888 0.229 18250 1393 1 2 . 1 1 79 79 ALA CB C 79 21.518 21.518 20.228 1.290 18250 1394 1 2 . 1 1 80 80 TYR N N 80 121.374 121.374 121.159 0.215 18250 1395 1 2 . 1 1 80 80 TYR HA H 80 4.648 4.648 3.486 1.162 18250 1396 1 2 . 1 1 80 80 TYR C C 80 176.560 176.560 177.058 -0.498 18250 1397 1 2 . 1 1 80 80 TYR CA C 80 60.846 60.846 62.005 -1.159 18250 1398 1 2 . 1 1 80 80 TYR CB C 80 38.165 38.165 38.319 -0.154 18250 1399 1 2 . 1 1 80 80 TYR H H 80 8.858 8.858 8.868 -0.010 18250 1400 1 2 . 1 1 81 81 GLN N N 81 115.124 115.124 118.318 -3.194 18250 1401 1 2 . 1 1 81 81 GLN HA H 81 3.802 3.802 3.785 0.017 18250 1402 1 2 . 1 1 81 81 GLN C C 81 178.330 178.330 177.993 0.337 18250 1403 1 2 . 1 1 81 81 GLN CA C 81 59.911 59.911 59.287 0.624 18250 1404 1 2 . 1 1 81 81 GLN CB C 81 28.016 28.016 27.620 0.396 18250 1405 1 2 . 1 1 81 81 GLN H H 81 8.532 8.532 8.814 -0.282 18250 1406 1 2 . 1 1 82 82 SER N N 82 114.423 114.423 115.711 -1.288 18250 1407 1 2 . 1 1 82 82 SER HA H 82 4.253 4.253 4.078 0.175 18250 1408 1 2 . 1 1 82 82 SER CA C 82 62.089 62.089 60.816 1.272 18250 1409 1 2 . 1 1 82 82 SER CB C 82 63.338 63.338 62.980 0.358 18250 1410 1 2 . 1 1 82 82 SER H H 82 7.356 7.356 7.343 0.013 18250 1411 1 2 . 1 1 83 83 PHE HA H 83 3.937 3.937 3.892 0.045 18250 1412 1 2 . 1 1 83 83 PHE C C 83 175.136 175.136 176.464 -1.328 18250 1413 1 2 . 1 1 83 83 PHE CA C 83 61.335 61.335 60.877 0.458 18250 1414 1 2 . 1 1 83 83 PHE CB C 83 39.433 39.433 39.153 0.280 18250 1415 1 2 . 1 1 84 84 GLU N N 84 119.917 119.917 118.421 1.496 18250 1416 1 2 . 1 1 84 84 GLU HA H 84 3.331 3.331 3.632 -0.301 18250 1417 1 2 . 1 1 84 84 GLU C C 84 177.012 177.012 178.160 -1.148 18250 1418 1 2 . 1 1 84 84 GLU CA C 84 59.146 59.146 59.150 -0.004 18250 1419 1 2 . 1 1 84 84 GLU CB C 84 30.460 30.460 29.179 1.281 18250 1420 1 2 . 1 1 84 84 GLU H H 84 8.659 8.659 8.272 0.387 18250 1421 1 2 . 1 1 85 85 GLN N N 85 115.027 115.027 116.827 -1.800 18250 1422 1 2 . 1 1 85 85 GLN HA H 85 3.888 3.888 3.974 -0.086 18250 1423 1 2 . 1 1 85 85 GLN C C 85 178.571 178.571 177.728 0.843 18250 1424 1 2 . 1 1 85 85 GLN CA C 85 59.103 59.103 58.251 0.852 18250 1425 1 2 . 1 1 85 85 GLN CB C 85 28.586 28.586 27.679 0.907 18250 1426 1 2 . 1 1 85 85 GLN H H 85 7.592 7.592 7.471 0.121 18250 1427 1 2 . 1 1 86 86 VAL N N 86 118.481 118.481 116.194 2.287 18250 1428 1 2 . 1 1 86 86 VAL HA H 86 3.644 3.644 3.778 -0.134 18250 1429 1 2 . 1 1 86 86 VAL C C 86 177.898 177.898 178.213 -0.315 18250 1430 1 2 . 1 1 86 86 VAL CA C 86 66.100 66.100 64.713 1.387 18250 1431 1 2 . 1 1 86 86 VAL CB C 86 31.799 31.799 31.645 0.154 18250 1432 1 2 . 1 1 86 86 VAL H H 86 7.164 7.164 7.224 -0.060 18250 1433 1 2 . 1 1 87 87 VAL N N 87 119.825 119.825 116.191 3.634 18250 1434 1 2 . 1 1 87 87 VAL HA H 87 3.028 3.028 3.625 -0.597 18250 1435 1 2 . 1 1 87 87 VAL C C 87 177.853 177.853 177.441 0.412 18250 1436 1 2 . 1 1 87 87 VAL CA C 87 66.394 66.394 64.656 1.738 18250 1437 1 2 . 1 1 87 87 VAL CB C 87 31.044 31.044 30.568 0.476 18250 1438 1 2 . 1 1 87 87 VAL H H 87 7.980 7.980 7.432 0.548 18250 1439 1 2 . 1 1 88 88 ASN N N 88 117.625 117.625 119.335 -1.710 18250 1440 1 2 . 1 1 88 88 ASN HA H 88 4.283 4.283 4.462 -0.179 18250 1441 1 2 . 1 1 88 88 ASN C C 88 178.987 178.987 176.900 2.087 18250 1442 1 2 . 1 1 88 88 ASN CA C 88 55.449 55.449 55.421 0.028 18250 1443 1 2 . 1 1 88 88 ASN CB C 88 37.329 37.329 38.373 -1.044 18250 1444 1 2 . 1 1 88 88 ASN H H 88 8.437 8.437 8.305 0.132 18250 1445 1 2 . 1 1 89 89 GLU N N 89 118.940 118.940 119.715 -0.775 18250 1446 1 2 . 1 1 89 89 GLU HA H 89 4.001 4.001 4.032 -0.031 18250 1447 1 2 . 1 1 89 89 GLU C C 89 179.305 179.305 178.749 0.556 18250 1448 1 2 . 1 1 89 89 GLU CA C 89 59.016 59.016 58.937 0.079 18250 1449 1 2 . 1 1 89 89 GLU CB C 89 29.120 29.120 29.502 -0.382 18250 1450 1 2 . 1 1 89 89 GLU H H 89 7.377 7.377 7.939 -0.562 18250 1451 1 2 . 1 1 90 90 LEU N N 90 120.797 120.797 119.448 1.349 18250 1452 1 2 . 1 1 90 90 LEU HA H 90 3.821 3.821 3.943 -0.122 18250 1453 1 2 . 1 1 90 90 LEU C C 90 178.249 178.249 178.494 -0.245 18250 1454 1 2 . 1 1 90 90 LEU CA C 90 57.491 57.491 57.454 0.037 18250 1455 1 2 . 1 1 90 90 LEU CB C 90 41.502 41.502 41.600 -0.098 18250 1456 1 2 . 1 1 90 90 LEU H H 90 7.608 7.608 7.173 0.435 18250 1457 1 2 . 1 1 91 91 PHE N N 91 113.366 113.366 118.845 -5.479 18250 1458 1 2 . 1 1 91 91 PHE HA H 91 4.532 4.532 3.975 0.557 18250 1459 1 2 . 1 1 91 91 PHE C C 91 176.475 176.475 177.655 -1.180 18250 1460 1 2 . 1 1 91 91 PHE CA C 91 57.504 57.504 61.239 -3.735 18250 1461 1 2 . 1 1 91 91 PHE CB C 91 39.470 39.470 39.094 0.376 18250 1462 1 2 . 1 1 91 91 PHE H H 91 7.024 7.024 7.738 -0.714 18250 1463 1 2 . 1 1 92 92 ARG N N 92 123.994 123.994 119.523 4.471 18250 1464 1 2 . 1 1 92 92 ARG HA H 92 3.965 3.965 4.216 -0.251 18250 1465 1 2 . 1 1 92 92 ARG C C 92 177.152 177.152 176.909 0.243 18250 1466 1 2 . 1 1 92 92 ARG CA C 92 59.743 59.743 57.359 2.384 18250 1467 1 2 . 1 1 92 92 ARG CB C 92 30.171 30.171 29.975 0.196 18250 1468 1 2 . 1 1 92 92 ARG H H 92 7.237 7.237 7.921 -0.684 18250 1469 1 2 . 1 1 93 93 ASP N N 93 116.866 116.866 117.451 -0.585 18250 1470 1 2 . 1 1 93 93 ASP HA H 93 4.823 4.823 4.647 0.176 18250 1471 1 2 . 1 1 93 93 ASP C C 93 175.589 175.589 175.637 -0.048 18250 1472 1 2 . 1 1 93 93 ASP CA C 93 54.068 54.068 53.450 0.618 18250 1473 1 2 . 1 1 93 93 ASP CB C 93 40.755 40.755 40.955 -0.200 18250 1474 1 2 . 1 1 93 93 ASP H H 93 8.711 8.711 7.641 1.070 18250 1475 1 2 . 1 1 94 94 GLY N N 94 108.978 108.978 107.604 1.374 18250 1476 1 2 . 1 1 94 94 GLY C C 94 172.635 172.635 174.884 -2.249 18250 1477 1 2 . 1 1 94 94 GLY CA C 94 43.818 43.818 44.559 -0.740 18250 1478 1 2 . 1 1 94 94 GLY H H 94 7.582 7.582 7.329 0.253 18250 1479 1 2 . 1 1 95 95 VAL N N 95 120.777 120.777 120.424 0.353 18250 1480 1 2 . 1 1 95 95 VAL HA H 95 3.545 3.545 3.458 0.087 18250 1481 1 2 . 1 1 95 95 VAL C C 95 174.452 174.452 173.775 0.677 18250 1482 1 2 . 1 1 95 95 VAL CA C 95 62.875 62.875 63.383 -0.508 18250 1483 1 2 . 1 1 95 95 VAL CB C 95 32.148 32.148 30.491 1.657 18250 1484 1 2 . 1 1 95 95 VAL H H 95 8.293 8.293 7.422 0.871 18250 1485 1 2 . 1 1 96 96 ASN N N 96 116.198 116.198 125.452 -9.254 18250 1486 1 2 . 1 1 96 96 ASN HA H 96 4.070 4.070 4.761 -0.691 18250 1487 1 2 . 1 1 96 96 ASN C C 96 175.243 175.243 176.354 -1.111 18250 1488 1 2 . 1 1 96 96 ASN CA C 96 51.784 51.784 51.708 0.076 18250 1489 1 2 . 1 1 96 96 ASN CB C 96 39.849 39.849 40.606 -0.757 18250 1490 1 2 . 1 1 96 96 ASN H H 96 6.401 6.401 7.943 -1.542 18250 1491 1 2 . 1 1 97 97 TRP N N 97 118.776 118.776 120.947 -2.171 18250 1492 1 2 . 1 1 97 97 TRP HA H 97 4.588 4.588 4.493 0.095 18250 1493 1 2 . 1 1 97 97 TRP C C 97 178.207 178.207 178.009 0.198 18250 1494 1 2 . 1 1 97 97 TRP CA C 97 61.083 61.083 61.105 -0.022 18250 1495 1 2 . 1 1 97 97 TRP CB C 97 30.676 30.676 29.440 1.236 18250 1496 1 2 . 1 1 97 97 TRP H H 97 8.530 8.530 8.901 -0.371 18250 1497 1 2 . 1 1 98 98 GLY N N 98 106.573 106.573 106.242 0.331 18250 1498 1 2 . 1 1 98 98 GLY C C 98 177.485 177.485 176.113 1.372 18250 1499 1 2 . 1 1 98 98 GLY CA C 98 47.505 47.505 46.149 1.356 18250 1500 1 2 . 1 1 98 98 GLY H H 98 8.634 8.634 8.750 -0.116 18250 1501 1 2 . 1 1 99 99 ARG N N 99 121.627 121.627 122.057 -0.430 18250 1502 1 2 . 1 1 99 99 ARG HA H 99 3.999 3.999 4.116 -0.117 18250 1503 1 2 . 1 1 99 99 ARG C C 99 177.693 177.693 178.539 -0.846 18250 1504 1 2 . 1 1 99 99 ARG CA C 99 58.487 58.487 58.052 0.435 18250 1505 1 2 . 1 1 99 99 ARG CB C 99 31.363 31.363 29.615 1.748 18250 1506 1 2 . 1 1 99 99 ARG H H 99 8.214 8.214 8.051 0.163 18250 1507 1 2 . 1 1 100 100 ILE N N 100 121.379 121.379 120.254 1.125 18250 1508 1 2 . 1 1 100 100 ILE HA H 100 3.986 3.986 3.853 0.133 18250 1509 1 2 . 1 1 100 100 ILE C C 100 178.143 178.143 177.715 0.428 18250 1510 1 2 . 1 1 100 100 ILE CA C 100 67.148 67.148 64.827 2.321 18250 1511 1 2 . 1 1 100 100 ILE CB C 100 37.099 37.099 37.600 -0.501 18250 1512 1 2 . 1 1 100 100 ILE H H 100 7.810 7.810 7.238 0.572 18250 1513 1 2 . 1 1 101 101 VAL N N 101 121.444 121.444 119.935 1.509 18250 1514 1 2 . 1 1 101 101 VAL HA H 101 3.458 3.458 3.392 0.066 18250 1515 1 2 . 1 1 101 101 VAL C C 101 177.752 177.752 177.947 -0.195 18250 1516 1 2 . 1 1 101 101 VAL CA C 101 68.165 68.165 66.877 1.288 18250 1517 1 2 . 1 1 101 101 VAL CB C 101 31.423 31.423 31.331 0.092 18250 1518 1 2 . 1 1 101 101 VAL H H 101 8.378 8.378 7.572 0.806 18250 1519 1 2 . 1 1 102 102 ALA N N 102 121.864 121.864 122.525 -0.661 18250 1520 1 2 . 1 1 102 102 ALA HA H 102 3.174 3.174 3.113 0.061 18250 1521 1 2 . 1 1 102 102 ALA C C 102 178.223 178.223 178.656 -0.433 18250 1522 1 2 . 1 1 102 102 ALA CA C 102 55.256 55.256 54.400 0.856 18250 1523 1 2 . 1 1 102 102 ALA CB C 102 18.631 18.631 17.242 1.389 18250 1524 1 2 . 1 1 102 102 ALA H H 102 7.693 7.693 7.785 -0.092 18250 1525 1 2 . 1 1 103 103 PHE N N 103 119.560 119.560 119.476 0.084 18250 1526 1 2 . 1 1 103 103 PHE HA H 103 3.986 3.986 4.087 -0.101 18250 1527 1 2 . 1 1 103 103 PHE C C 103 176.264 176.264 177.385 -1.121 18250 1528 1 2 . 1 1 103 103 PHE CA C 103 60.811 60.811 61.226 -0.415 18250 1529 1 2 . 1 1 103 103 PHE CB C 103 38.585 38.585 39.090 -0.505 18250 1530 1 2 . 1 1 103 103 PHE H H 103 8.096 8.096 8.019 0.077 18250 1531 1 2 . 1 1 104 104 PHE N N 104 120.694 120.694 117.742 2.952 18250 1532 1 2 . 1 1 104 104 PHE HA H 104 3.347 3.347 4.108 -0.761 18250 1533 1 2 . 1 1 104 104 PHE C C 104 177.604 177.604 177.831 -0.227 18250 1534 1 2 . 1 1 104 104 PHE CA C 104 62.995 62.995 60.641 2.354 18250 1535 1 2 . 1 1 104 104 PHE CB C 104 36.626 36.626 38.289 -1.663 18250 1536 1 2 . 1 1 104 104 PHE H H 104 8.087 8.087 8.382 -0.295 18250 1537 1 2 . 1 1 105 105 SER N N 105 114.775 114.775 116.741 -1.966 18250 1538 1 2 . 1 1 105 105 SER HA H 105 4.444 4.444 4.490 -0.046 18250 1539 1 2 . 1 1 105 105 SER C C 105 177.605 177.605 177.016 0.589 18250 1540 1 2 . 1 1 105 105 SER CA C 105 63.767 63.767 62.534 1.233 18250 1541 1 2 . 1 1 105 105 SER CB C 105 63.409 63.409 62.943 0.466 18250 1542 1 2 . 1 1 105 105 SER H H 105 8.514 8.514 8.510 0.004 18250 1543 1 2 . 1 1 106 106 PHE N N 106 124.632 124.632 121.887 2.745 18250 1544 1 2 . 1 1 106 106 PHE HA H 106 4.071 4.071 4.330 -0.259 18250 1545 1 2 . 1 1 106 106 PHE C C 106 176.639 176.639 178.288 -1.649 18250 1546 1 2 . 1 1 106 106 PHE CA C 106 60.185 60.185 59.648 0.537 18250 1547 1 2 . 1 1 106 106 PHE CB C 106 38.639 38.639 37.867 0.772 18250 1548 1 2 . 1 1 106 106 PHE H H 106 9.146 9.146 8.535 0.611 18250 1549 1 2 . 1 1 107 107 GLY N N 107 106.495 106.495 107.234 -0.739 18250 1550 1 2 . 1 1 107 107 GLY C C 107 176.647 176.647 176.834 -0.187 18250 1551 1 2 . 1 1 107 107 GLY CA C 107 47.998 47.998 47.286 0.712 18250 1552 1 2 . 1 1 107 107 GLY H H 107 8.063 8.063 8.069 -0.006 18250 1553 1 2 . 1 1 108 108 GLY N N 108 107.786 107.786 110.027 -2.241 18250 1554 1 2 . 1 1 108 108 GLY C C 108 174.589 174.589 175.678 -1.089 18250 1555 1 2 . 1 1 108 108 GLY CA C 108 47.931 47.931 46.884 1.047 18250 1556 1 2 . 1 1 108 108 GLY H H 108 8.900 8.900 8.464 0.436 18250 1557 1 2 . 1 1 109 109 ALA N N 109 124.959 124.959 124.916 0.043 18250 1558 1 2 . 1 1 109 109 ALA HA H 109 4.216 4.216 4.357 -0.141 18250 1559 1 2 . 1 1 109 109 ALA C C 109 181.113 181.113 179.779 1.334 18250 1560 1 2 . 1 1 109 109 ALA CA C 109 55.098 55.098 54.838 0.260 18250 1561 1 2 . 1 1 109 109 ALA CB C 109 18.418 18.418 18.489 -0.071 18250 1562 1 2 . 1 1 109 109 ALA H H 109 8.343 8.343 7.735 0.608 18250 1563 1 2 . 1 1 110 110 LEU N N 110 119.336 119.336 119.626 -0.290 18250 1564 1 2 . 1 1 110 110 LEU HA H 110 4.017 4.017 4.119 -0.102 18250 1565 1 2 . 1 1 110 110 LEU C C 110 180.100 180.100 179.466 0.634 18250 1566 1 2 . 1 1 110 110 LEU CA C 110 57.400 57.400 58.339 -0.939 18250 1567 1 2 . 1 1 110 110 LEU CB C 110 42.562 42.562 41.752 0.810 18250 1568 1 2 . 1 1 110 110 LEU H H 110 8.296 8.296 8.700 -0.404 18250 1569 1 2 . 1 1 111 111 CYS N N 111 119.466 119.466 117.157 2.309 18250 1570 1 2 . 1 1 111 111 CYS HA H 111 3.818 3.818 4.005 -0.187 18250 1571 1 2 . 1 1 111 111 CYS C C 111 175.954 175.954 176.809 -0.855 18250 1572 1 2 . 1 1 111 111 CYS CA C 111 64.665 64.665 64.642 0.023 18250 1573 1 2 . 1 1 111 111 CYS CB C 111 26.724 26.724 26.657 0.067 18250 1574 1 2 . 1 1 111 111 CYS H H 111 8.207 8.207 8.716 -0.509 18250 1575 1 2 . 1 1 112 112 VAL N N 112 119.086 119.086 120.136 -1.050 18250 1576 1 2 . 1 1 112 112 VAL HA H 112 3.379 3.379 3.738 -0.359 18250 1577 1 2 . 1 1 112 112 VAL C C 112 177.356 177.356 178.147 -0.791 18250 1578 1 2 . 1 1 112 112 VAL CA C 112 67.316 67.316 66.565 0.751 18250 1579 1 2 . 1 1 112 112 VAL CB C 112 31.944 31.944 31.427 0.517 18250 1580 1 2 . 1 1 112 112 VAL H H 112 8.110 8.110 7.641 0.469 18250 1581 1 2 . 1 1 113 113 GLU N N 113 119.448 119.448 119.807 -0.359 18250 1582 1 2 . 1 1 113 113 GLU HA H 113 4.094 4.094 3.995 0.099 18250 1583 1 2 . 1 1 113 113 GLU C C 113 178.264 178.264 179.139 -0.875 18250 1584 1 2 . 1 1 113 113 GLU CA C 113 59.336 59.336 59.664 -0.328 18250 1585 1 2 . 1 1 113 113 GLU CB C 113 29.326 29.326 28.810 0.516 18250 1586 1 2 . 1 1 113 113 GLU H H 113 8.190 8.190 8.586 -0.396 18250 1587 1 2 . 1 1 114 114 SER N N 114 113.847 113.847 116.799 -2.952 18250 1588 1 2 . 1 1 114 114 SER HA H 114 3.886 3.886 4.177 -0.291 18250 1589 1 2 . 1 1 114 114 SER C C 114 175.485 175.485 176.151 -0.666 18250 1590 1 2 . 1 1 114 114 SER CA C 114 63.249 63.249 62.669 0.580 18250 1591 1 2 . 1 1 114 114 SER CB C 114 62.229 62.229 62.871 -0.642 18250 1592 1 2 . 1 1 114 114 SER H H 114 7.757 7.757 8.279 -0.522 18250 1593 1 2 . 1 1 115 115 VAL N N 115 121.093 121.093 121.409 -0.316 18250 1594 1 2 . 1 1 115 115 VAL HA H 115 3.201 3.201 3.456 -0.255 18250 1595 1 2 . 1 1 115 115 VAL C C 115 179.471 179.471 178.183 1.288 18250 1596 1 2 . 1 1 115 115 VAL CA C 115 66.746 66.746 65.826 0.920 18250 1597 1 2 . 1 1 115 115 VAL CB C 115 31.412 31.412 30.735 0.676 18250 1598 1 2 . 1 1 115 115 VAL H H 115 7.423 7.423 7.282 0.141 18250 1599 1 2 . 1 1 116 116 ASP N N 116 123.023 123.023 121.031 1.992 18250 1600 1 2 . 1 1 116 116 ASP HA H 116 4.398 4.398 4.424 -0.026 18250 1601 1 2 . 1 1 116 116 ASP C C 116 178.029 178.029 177.815 0.214 18250 1602 1 2 . 1 1 116 116 ASP CA C 116 57.471 57.471 56.690 0.781 18250 1603 1 2 . 1 1 116 116 ASP CB C 116 41.004 41.004 40.933 0.071 18250 1604 1 2 . 1 1 116 116 ASP H H 116 8.365 8.365 8.049 0.316 18250 1605 1 2 . 1 1 117 117 LYS N N 117 116.212 116.212 118.034 -1.822 18250 1606 1 2 . 1 1 117 117 LYS HA H 117 4.384 4.384 4.351 0.033 18250 1607 1 2 . 1 1 117 117 LYS C C 117 175.049 175.049 175.617 -0.568 18250 1608 1 2 . 1 1 117 117 LYS CA C 117 55.685 55.685 55.633 0.052 18250 1609 1 2 . 1 1 117 117 LYS CB C 117 32.317 32.317 31.870 0.447 18250 1610 1 2 . 1 1 117 117 LYS H H 117 7.698 7.698 7.710 -0.012 18250 1611 1 2 . 1 1 118 118 GLU N N 118 114.271 114.271 114.360 -0.089 18250 1612 1 2 . 1 1 118 118 GLU HA H 118 3.973 3.973 3.912 0.061 18250 1613 1 2 . 1 1 118 118 GLU C C 118 176.065 176.065 175.751 0.314 18250 1614 1 2 . 1 1 118 118 GLU CA C 118 57.766 57.766 57.671 0.095 18250 1615 1 2 . 1 1 118 118 GLU CB C 118 26.540 26.540 27.365 -0.825 18250 1616 1 2 . 1 1 118 118 GLU H H 118 7.959 7.959 8.081 -0.121 18250 1617 1 2 . 1 1 119 119 MET N N 119 119.260 119.260 118.482 0.778 18250 1618 1 2 . 1 1 119 119 MET HA H 119 4.822 4.822 4.661 0.161 18250 1619 1 2 . 1 1 119 119 MET C C 119 176.817 176.817 175.430 1.387 18250 1620 1 2 . 1 1 119 119 MET CA C 119 53.675 53.675 54.089 -0.414 18250 1621 1 2 . 1 1 119 119 MET CB C 119 31.867 31.867 31.314 0.553 18250 1622 1 2 . 1 1 119 119 MET H H 119 8.542 8.542 8.580 -0.038 18250 1623 1 2 . 1 1 120 120 GLN N N 120 119.766 119.766 119.773 -0.007 18250 1624 1 2 . 1 1 120 120 GLN HA H 120 3.489 3.489 3.772 -0.283 18250 1625 1 2 . 1 1 120 120 GLN C C 120 177.471 177.471 177.114 0.357 18250 1626 1 2 . 1 1 120 120 GLN CA C 120 60.166 60.166 58.275 1.891 18250 1627 1 2 . 1 1 120 120 GLN CB C 120 27.667 27.667 28.699 -1.032 18250 1628 1 2 . 1 1 120 120 GLN H H 120 8.796 8.796 8.091 0.706 18250 1629 1 2 . 1 1 121 121 VAL N N 121 117.292 117.292 112.844 4.448 18250 1630 1 2 . 1 1 121 121 VAL HA H 121 4.056 4.056 4.027 0.029 18250 1631 1 2 . 1 1 121 121 VAL C C 121 175.676 175.676 176.366 -0.690 18250 1632 1 2 . 1 1 121 121 VAL CA C 121 63.612 63.612 63.248 0.364 18250 1633 1 2 . 1 1 121 121 VAL CB C 121 31.494 31.494 31.542 -0.048 18250 1634 1 2 . 1 1 121 121 VAL H H 121 7.959 7.959 7.748 0.211 18250 1635 1 2 . 1 1 122 122 LEU N N 122 117.436 117.436 120.682 -3.246 18250 1636 1 2 . 1 1 122 122 LEU HA H 122 3.872 3.872 4.045 -0.173 18250 1637 1 2 . 1 1 122 122 LEU C C 122 177.962 177.962 178.604 -0.642 18250 1638 1 2 . 1 1 122 122 LEU CA C 122 55.528 55.528 57.353 -1.825 18250 1639 1 2 . 1 1 122 122 LEU CB C 122 41.369 41.369 41.699 -0.330 18250 1640 1 2 . 1 1 122 122 LEU H H 122 7.887 7.887 7.481 0.406 18250 1641 1 2 . 1 1 123 123 VAL N N 123 120.028 120.028 119.444 0.584 18250 1642 1 2 . 1 1 123 123 VAL HA H 123 3.379 3.379 3.594 -0.215 18250 1643 1 2 . 1 1 123 123 VAL C C 123 177.040 177.040 177.137 -0.097 18250 1644 1 2 . 1 1 123 123 VAL CA C 123 67.817 67.817 65.899 1.918 18250 1645 1 2 . 1 1 123 123 VAL CB C 123 30.889 30.889 31.470 -0.581 18250 1646 1 2 . 1 1 123 123 VAL H H 123 7.444 7.444 7.371 0.073 18250 1647 1 2 . 1 1 124 124 SER N N 124 111.168 111.168 112.756 -1.588 18250 1648 1 2 . 1 1 124 124 SER HA H 124 3.979 3.979 4.212 -0.233 18250 1649 1 2 . 1 1 124 124 SER C C 124 177.070 177.070 176.182 0.888 18250 1650 1 2 . 1 1 124 124 SER CA C 124 61.254 61.254 60.680 0.574 18250 1651 1 2 . 1 1 124 124 SER CB C 124 62.403 62.403 62.766 -0.363 18250 1652 1 2 . 1 1 124 124 SER H H 124 8.394 8.394 8.100 0.294 18250 1653 1 2 . 1 1 125 125 ARG N N 125 123.526 123.526 121.327 2.199 18250 1654 1 2 . 1 1 125 125 ARG HA H 125 3.710 3.710 3.708 0.002 18250 1655 1 2 . 1 1 125 125 ARG C C 125 175.751 175.751 177.611 -1.860 18250 1656 1 2 . 1 1 125 125 ARG CA C 125 58.738 58.738 58.420 0.318 18250 1657 1 2 . 1 1 125 125 ARG CB C 125 29.845 29.845 29.462 0.383 18250 1658 1 2 . 1 1 125 125 ARG H H 125 6.696 6.696 7.104 -0.408 18250 1659 1 2 . 1 1 126 126 ILE N N 126 118.795 118.795 120.281 -1.486 18250 1660 1 2 . 1 1 126 126 ILE HA H 126 2.855 2.855 3.177 -0.322 18250 1661 1 2 . 1 1 126 126 ILE C C 126 177.974 177.974 177.148 0.826 18250 1662 1 2 . 1 1 126 126 ILE CA C 126 64.959 64.959 65.056 -0.097 18250 1663 1 2 . 1 1 126 126 ILE CB C 126 37.666 37.666 37.472 0.194 18250 1664 1 2 . 1 1 126 126 ILE H H 126 8.124 8.124 7.922 0.202 18250 1665 1 2 . 1 1 127 127 ALA N N 127 119.674 119.674 121.230 -1.556 18250 1666 1 2 . 1 1 127 127 ALA HA H 127 3.902 3.902 3.853 0.049 18250 1667 1 2 . 1 1 127 127 ALA C C 127 179.395 179.395 179.051 0.344 18250 1668 1 2 . 1 1 127 127 ALA CA C 127 55.287 55.287 55.091 0.196 18250 1669 1 2 . 1 1 127 127 ALA CB C 127 18.520 18.520 17.938 0.582 18250 1670 1 2 . 1 1 127 127 ALA H H 127 7.711 7.711 7.583 0.128 18250 1671 1 2 . 1 1 128 128 ALA N N 128 120.850 120.850 121.761 -0.911 18250 1672 1 2 . 1 1 128 128 ALA HA H 128 4.173 4.173 4.052 0.121 18250 1673 1 2 . 1 1 128 128 ALA C C 128 181.038 181.038 179.629 1.409 18250 1674 1 2 . 1 1 128 128 ALA CA C 128 55.261 55.261 54.869 0.392 18250 1675 1 2 . 1 1 128 128 ALA CB C 128 17.822 17.822 18.071 -0.249 18250 1676 1 2 . 1 1 128 128 ALA H H 128 7.356 7.356 7.253 0.103 18250 1677 1 2 . 1 1 129 129 TRP N N 129 121.648 121.648 118.781 2.867 18250 1678 1 2 . 1 1 129 129 TRP C C 129 179.558 179.558 178.981 0.577 18250 1679 1 2 . 1 1 129 129 TRP CA C 129 57.788 57.788 59.239 -1.451 18250 1680 1 2 . 1 1 129 129 TRP CB C 129 28.918 28.918 28.183 0.735 18250 1681 1 2 . 1 1 129 129 TRP H H 129 9.087 9.087 8.069 1.018 18250 1682 1 2 . 1 1 130 130 MET N N 130 117.535 117.535 118.483 -0.948 18250 1683 1 2 . 1 1 130 130 MET HA H 130 4.345 4.345 4.524 -0.179 18250 1684 1 2 . 1 1 130 130 MET C C 130 178.170 178.170 178.706 -0.536 18250 1685 1 2 . 1 1 130 130 MET CA C 130 60.179 60.179 59.754 0.425 18250 1686 1 2 . 1 1 130 130 MET CB C 130 34.928 34.928 32.207 2.721 18250 1687 1 2 . 1 1 130 130 MET H H 130 9.031 9.031 8.641 0.390 18250 1688 1 2 . 1 1 131 131 ALA N N 131 120.973 120.973 121.623 -0.650 18250 1689 1 2 . 1 1 131 131 ALA HA H 131 4.100 4.100 4.093 0.006 18250 1690 1 2 . 1 1 131 131 ALA C C 131 176.249 176.249 179.717 -3.468 18250 1691 1 2 . 1 1 131 131 ALA CA C 131 56.176 56.176 55.483 0.694 18250 1692 1 2 . 1 1 131 131 ALA CB C 131 17.634 17.634 18.096 -0.462 18250 1693 1 2 . 1 1 131 131 ALA H H 131 8.274 8.274 8.427 -0.153 18250 1694 1 2 . 1 1 132 132 THR N N 132 117.211 117.211 117.017 0.194 18250 1695 1 2 . 1 1 132 132 THR HA H 132 3.959 3.959 3.988 -0.029 18250 1696 1 2 . 1 1 132 132 THR C C 132 175.035 175.035 176.360 -1.325 18250 1697 1 2 . 1 1 132 132 THR CA C 132 67.312 67.312 67.060 0.252 18250 1698 1 2 . 1 1 132 132 THR CB C 132 69.177 69.177 68.522 0.655 18250 1699 1 2 . 1 1 132 132 THR H H 132 8.648 8.648 7.985 0.663 18250 1700 1 2 . 1 1 133 133 TYR N N 133 123.705 123.705 124.412 -0.707 18250 1701 1 2 . 1 1 133 133 TYR HA H 133 4.018 4.018 4.512 -0.494 18250 1702 1 2 . 1 1 133 133 TYR C C 133 179.551 179.551 178.108 1.443 18250 1703 1 2 . 1 1 133 133 TYR CA C 133 63.577 63.577 62.103 1.474 18250 1704 1 2 . 1 1 133 133 TYR CB C 133 39.312 39.312 38.787 0.525 18250 1705 1 2 . 1 1 133 133 TYR H H 133 8.964 8.964 8.648 0.316 18250 1706 1 2 . 1 1 134 134 LEU N N 134 119.671 119.671 120.110 -0.439 18250 1707 1 2 . 1 1 134 134 LEU HA H 134 3.832 3.832 4.042 -0.210 18250 1708 1 2 . 1 1 134 134 LEU C C 134 178.321 178.321 178.650 -0.329 18250 1709 1 2 . 1 1 134 134 LEU CA C 134 59.586 59.586 58.200 1.386 18250 1710 1 2 . 1 1 134 134 LEU CB C 134 42.898 42.898 41.988 0.910 18250 1711 1 2 . 1 1 134 134 LEU H H 134 8.853 8.853 8.935 -0.082 18250 1712 1 2 . 1 1 135 135 ASN N N 135 117.661 117.661 117.152 0.509 18250 1713 1 2 . 1 1 135 135 ASN HA H 135 4.353 4.353 4.649 -0.296 18250 1714 1 2 . 1 1 135 135 ASN C C 135 176.407 176.407 176.879 -0.472 18250 1715 1 2 . 1 1 135 135 ASN CA C 135 56.883 56.883 55.888 0.995 18250 1716 1 2 . 1 1 135 135 ASN CB C 135 39.219 39.219 38.493 0.726 18250 1717 1 2 . 1 1 135 135 ASN H H 135 8.455 8.455 8.263 0.192 18250 1718 1 2 . 1 1 136 136 ASP N N 136 115.939 115.939 118.759 -2.820 18250 1719 1 2 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.509 -0.174 18250 1720 1 2 . 1 1 136 136 ASP C C 136 177.798 177.798 177.447 0.351 18250 1721 1 2 . 1 1 136 136 ASP CA C 136 56.501 56.501 56.368 0.133 18250 1722 1 2 . 1 1 136 136 ASP CB C 136 40.861 40.861 41.260 -0.399 18250 1723 1 2 . 1 1 136 136 ASP H H 136 8.580 8.580 8.379 0.201 18250 1724 1 2 . 1 1 137 137 HIS N N 137 112.071 112.071 117.337 -5.266 18250 1725 1 2 . 1 1 137 137 HIS HA H 137 4.552 4.552 4.383 0.169 18250 1726 1 2 . 1 1 137 137 HIS C C 137 175.780 175.780 176.900 -1.120 18250 1727 1 2 . 1 1 137 137 HIS CA C 137 56.529 56.529 58.446 -1.917 18250 1728 1 2 . 1 1 137 137 HIS CB C 137 30.890 30.890 30.678 0.212 18250 1729 1 2 . 1 1 137 137 HIS H H 137 8.202 8.202 7.679 0.523 18250 1730 1 2 . 1 1 138 138 LEU N N 138 117.363 117.363 120.813 -3.450 18250 1731 1 2 . 1 1 138 138 LEU HA H 138 4.550 4.550 4.261 0.289 18250 1732 1 2 . 1 1 138 138 LEU C C 138 176.369 176.369 177.884 -1.515 18250 1733 1 2 . 1 1 138 138 LEU CA C 138 55.696 55.696 56.804 -1.109 18250 1734 1 2 . 1 1 138 138 LEU CB C 138 43.465 43.465 41.955 1.510 18250 1735 1 2 . 1 1 138 138 LEU H H 138 7.306 7.306 8.153 -0.847 18250 1736 1 2 . 1 1 139 139 GLU N N 139 121.917 121.917 120.410 1.507 18250 1737 1 2 . 1 1 139 139 GLU HA H 139 4.351 4.351 4.051 0.300 18250 1738 1 2 . 1 1 139 139 GLU C C 139 173.816 173.816 175.929 -2.113 18250 1739 1 2 . 1 1 139 139 GLU CA C 139 60.529 60.529 61.283 -0.755 18250 1740 1 2 . 1 1 139 139 GLU CB C 139 27.774 27.774 27.253 0.521 18250 1741 1 2 . 1 1 139 139 GLU H H 139 8.706 8.706 8.697 0.009 18250 1742 1 2 . 1 1 140 140 PRO HA H 140 4.234 4.234 4.238 -0.004 18250 1743 1 2 . 1 1 140 140 PRO C C 140 179.159 179.159 178.727 0.432 18250 1744 1 2 . 1 1 140 140 PRO CA C 140 66.582 66.582 65.702 0.880 18250 1745 1 2 . 1 1 140 140 PRO CB C 140 30.747 30.747 31.411 -0.664 18250 1746 1 2 . 1 1 141 141 TRP N N 141 118.367 118.367 119.923 -1.556 18250 1747 1 2 . 1 1 141 141 TRP HA H 141 3.855 3.855 4.377 -0.522 18250 1748 1 2 . 1 1 141 141 TRP C C 141 179.411 179.411 177.932 1.479 18250 1749 1 2 . 1 1 141 141 TRP CA C 141 62.205 62.205 60.896 1.309 18250 1750 1 2 . 1 1 141 141 TRP CB C 141 28.928 28.928 29.790 -0.862 18250 1751 1 2 . 1 1 141 141 TRP H H 141 7.195 7.195 7.492 -0.297 18250 1752 1 2 . 1 1 142 142 ILE N N 142 122.553 122.553 120.097 2.456 18250 1753 1 2 . 1 1 142 142 ILE HA H 142 2.891 2.891 3.273 -0.382 18250 1754 1 2 . 1 1 142 142 ILE C C 142 178.924 178.924 178.217 0.707 18250 1755 1 2 . 1 1 142 142 ILE CA C 142 66.241 66.241 65.535 0.706 18250 1756 1 2 . 1 1 142 142 ILE CB C 142 38.314 38.314 37.509 0.805 18250 1757 1 2 . 1 1 142 142 ILE H H 142 8.511 8.511 8.668 -0.157 18250 1758 1 2 . 1 1 143 143 GLN N N 143 116.777 116.777 118.236 -1.459 18250 1759 1 2 . 1 1 143 143 GLN HA H 143 3.920 3.920 4.010 -0.090 18250 1760 1 2 . 1 1 143 143 GLN C C 143 179.455 179.455 178.454 1.001 18250 1761 1 2 . 1 1 143 143 GLN CA C 143 58.567 58.567 58.611 -0.044 18250 1762 1 2 . 1 1 143 143 GLN CB C 143 28.068 28.068 28.066 0.002 18250 1763 1 2 . 1 1 143 143 GLN H H 143 8.514 8.514 8.594 -0.080 18250 1764 1 2 . 1 1 144 144 GLU N N 144 119.467 119.467 120.122 -0.655 18250 1765 1 2 . 1 1 144 144 GLU HA H 144 4.084 4.084 4.065 0.019 18250 1766 1 2 . 1 1 144 144 GLU C C 144 176.785 176.785 177.400 -0.615 18250 1767 1 2 . 1 1 144 144 GLU CA C 144 57.902 57.902 58.377 -0.475 18250 1768 1 2 . 1 1 144 144 GLU CB C 144 29.915 29.915 29.308 0.607 18250 1769 1 2 . 1 1 144 144 GLU H H 144 7.646 7.646 7.862 -0.216 18250 1770 1 2 . 1 1 145 145 ASN N N 145 116.904 116.904 115.941 0.963 18250 1771 1 2 . 1 1 145 145 ASN HA H 145 4.454 4.454 4.689 -0.235 18250 1772 1 2 . 1 1 145 145 ASN C C 145 173.890 173.890 175.076 -1.186 18250 1773 1 2 . 1 1 145 145 ASN CA C 145 53.652 53.652 52.827 0.825 18250 1774 1 2 . 1 1 145 145 ASN CB C 145 38.204 38.204 38.977 -0.773 18250 1775 1 2 . 1 1 145 145 ASN H H 145 7.195 7.195 7.448 -0.253 18250 1776 1 2 . 1 1 146 146 GLY N N 146 105.175 105.175 107.147 -1.972 18250 1777 1 2 . 1 1 146 146 GLY C C 146 175.977 175.977 174.175 1.802 18250 1778 1 2 . 1 1 146 146 GLY CA C 146 45.723 45.723 44.917 0.806 18250 1779 1 2 . 1 1 146 146 GLY H H 146 7.438 7.438 8.187 -0.749 18250 1780 1 2 . 1 1 147 147 GLY N N 147 108.769 108.769 108.124 0.645 18250 1781 1 2 . 1 1 147 147 GLY C C 147 173.367 173.367 174.581 -1.214 18250 1782 1 2 . 1 1 147 147 GLY CA C 147 44.532 44.532 44.434 0.098 18250 1783 1 2 . 1 1 147 147 GLY H H 147 8.580 8.580 7.785 0.795 18250 1784 1 2 . 1 1 148 148 TRP N N 148 118.433 118.433 121.803 -3.370 18250 1785 1 2 . 1 1 148 148 TRP HA H 148 4.431 4.431 4.490 -0.059 18250 1786 1 2 . 1 1 148 148 TRP C C 148 178.434 178.434 177.491 0.943 18250 1787 1 2 . 1 1 148 148 TRP CA C 148 60.558 60.558 59.875 0.683 18250 1788 1 2 . 1 1 148 148 TRP CB C 148 29.872 29.872 29.632 0.240 18250 1789 1 2 . 1 1 148 148 TRP H H 148 8.715 8.715 8.711 0.004 18250 1790 1 2 . 1 1 149 149 ASP N N 149 118.214 118.214 119.261 -1.047 18250 1791 1 2 . 1 1 149 149 ASP HA H 149 4.446 4.446 4.279 0.167 18250 1792 1 2 . 1 1 149 149 ASP C C 149 179.629 179.629 178.091 1.538 18250 1793 1 2 . 1 1 149 149 ASP CA C 149 57.850 57.850 57.848 0.002 18250 1794 1 2 . 1 1 149 149 ASP CB C 149 40.379 40.379 40.440 -0.061 18250 1795 1 2 . 1 1 149 149 ASP H H 149 8.897 8.897 8.800 0.097 18250 1796 1 2 . 1 1 150 150 THR N N 150 117.183 117.183 115.891 1.292 18250 1797 1 2 . 1 1 150 150 THR HA H 150 4.010 4.010 3.885 0.125 18250 1798 1 2 . 1 1 150 150 THR C C 150 175.220 175.220 175.839 -0.619 18250 1799 1 2 . 1 1 150 150 THR CA C 150 66.376 66.376 66.252 0.124 18250 1800 1 2 . 1 1 150 150 THR CB C 150 68.344 68.344 68.393 -0.049 18250 1801 1 2 . 1 1 150 150 THR H H 150 7.632 7.632 7.520 0.112 18250 1802 1 2 . 1 1 151 151 PHE N N 151 122.603 122.603 121.341 1.262 18250 1803 1 2 . 1 1 151 151 PHE HA H 151 4.423 4.423 3.710 0.713 18250 1804 1 2 . 1 1 151 151 PHE C C 151 176.703 176.703 176.932 -0.229 18250 1805 1 2 . 1 1 151 151 PHE CA C 151 61.847 61.847 60.794 1.053 18250 1806 1 2 . 1 1 151 151 PHE CB C 151 37.952 37.952 38.835 -0.883 18250 1807 1 2 . 1 1 151 151 PHE H H 151 6.638 6.638 6.993 -0.355 18250 1808 1 2 . 1 1 152 152 VAL N N 152 117.675 117.675 119.426 -1.751 18250 1809 1 2 . 1 1 152 152 VAL HA H 152 3.065 3.065 3.405 -0.340 18250 1810 1 2 . 1 1 152 152 VAL C C 152 178.313 178.313 177.745 0.568 18250 1811 1 2 . 1 1 152 152 VAL CA C 152 66.780 66.780 66.739 0.041 18250 1812 1 2 . 1 1 152 152 VAL CB C 152 31.889 31.889 31.570 0.319 18250 1813 1 2 . 1 1 152 152 VAL H H 152 7.840 7.840 8.624 -0.784 18250 1814 1 2 . 1 1 153 153 GLU N N 153 120.159 120.159 119.601 0.558 18250 1815 1 2 . 1 1 153 153 GLU HA H 153 3.925 3.925 3.927 -0.002 18250 1816 1 2 . 1 1 153 153 GLU C C 153 178.157 178.157 178.548 -0.391 18250 1817 1 2 . 1 1 153 153 GLU CA C 153 59.292 59.292 59.131 0.161 18250 1818 1 2 . 1 1 153 153 GLU CB C 153 29.569 29.569 29.577 -0.008 18250 1819 1 2 . 1 1 153 153 GLU H H 153 7.484 7.484 7.838 -0.354 18250 1820 1 2 . 1 1 154 154 LEU N N 154 117.518 117.518 118.315 -0.797 18250 1821 1 2 . 1 1 154 154 LEU HA H 154 4.054 4.054 3.889 0.165 18250 1822 1 2 . 1 1 154 154 LEU C C 154 178.563 178.563 179.061 -0.498 18250 1823 1 2 . 1 1 154 154 LEU CA C 154 56.844 56.844 57.323 -0.479 18250 1824 1 2 . 1 1 154 154 LEU CB C 154 43.739 43.739 42.105 1.634 18250 1825 1 2 . 1 1 154 154 LEU H H 154 7.701 7.701 7.479 0.222 18250 1826 1 2 . 1 1 155 155 TYR N N 155 116.466 116.466 113.684 2.782 18250 1827 1 2 . 1 1 155 155 TYR HA H 155 4.227 4.227 4.405 -0.178 18250 1828 1 2 . 1 1 155 155 TYR C C 155 176.835 176.835 176.551 0.284 18250 1829 1 2 . 1 1 155 155 TYR CA C 155 59.639 59.639 58.339 1.300 18250 1830 1 2 . 1 1 155 155 TYR CB C 155 38.891 38.891 38.832 0.059 18250 1831 1 2 . 1 1 155 155 TYR H H 155 8.210 8.210 7.410 0.800 18250 1832 1 2 . 1 1 156 156 GLY N N 156 108.677 108.677 107.333 1.344 18250 1833 1 2 . 1 1 156 156 GLY C C 156 173.893 173.893 173.698 0.195 18250 1834 1 2 . 1 1 156 156 GLY CA C 156 45.627 45.627 44.194 1.433 18250 1835 1 2 . 1 1 156 156 GLY H H 156 8.125 8.125 7.580 0.545 18250 1836 1 2 . 1 1 157 157 ASN N N 157 118.537 118.537 119.219 -0.682 18250 1837 1 2 . 1 1 157 157 ASN HA H 157 4.640 4.640 4.316 0.324 18250 1838 1 2 . 1 1 157 157 ASN C C 157 175.436 175.436 176.497 -1.061 18250 1839 1 2 . 1 1 157 157 ASN CA C 157 53.482 53.482 56.204 -2.722 18250 1840 1 2 . 1 1 157 157 ASN CB C 157 38.726 38.726 38.562 0.164 18250 1841 1 2 . 1 1 157 157 ASN H H 157 8.429 8.429 8.445 -0.016 18250 1842 1 2 . 1 1 158 158 ASN N N 158 119.251 119.251 117.660 1.591 18250 1843 1 2 . 1 1 158 158 ASN HA H 158 4.634 4.634 4.579 0.055 18250 1844 1 2 . 1 1 158 158 ASN C C 158 175.574 175.574 175.778 -0.204 18250 1845 1 2 . 1 1 158 158 ASN CA C 158 53.845 53.845 55.100 -1.255 18250 1846 1 2 . 1 1 158 158 ASN CB C 158 38.841 38.841 38.257 0.584 18250 1847 1 2 . 1 1 158 158 ASN H H 158 8.444 8.444 8.342 0.102 18250 1848 1 2 . 1 1 159 159 ALA N N 159 123.557 123.557 121.017 2.540 18250 1849 1 2 . 1 1 159 159 ALA HA H 159 4.185 4.185 4.069 0.116 18250 1850 1 2 . 1 1 159 159 ALA C C 159 178.451 178.451 179.229 -0.778 18250 1851 1 2 . 1 1 159 159 ALA CA C 159 53.732 53.732 54.342 -0.610 18250 1852 1 2 . 1 1 159 159 ALA CB C 159 18.793 18.793 18.537 0.256 18250 1853 1 2 . 1 1 159 159 ALA H H 159 8.216 8.216 7.788 0.428 18250 1854 1 2 . 1 1 160 160 ALA N N 160 121.918 121.918 119.878 2.040 18250 1855 1 2 . 1 1 160 160 ALA HA H 160 4.236 4.236 4.112 0.124 18250 1856 1 2 . 1 1 160 160 ALA C C 160 178.493 178.493 178.711 -0.218 18250 1857 1 2 . 1 1 160 160 ALA CA C 160 53.131 53.131 53.856 -0.725 18250 1858 1 2 . 1 1 160 160 ALA CB C 160 18.623 18.623 18.438 0.185 18250 1859 1 2 . 1 1 160 160 ALA H H 160 8.159 8.159 8.526 -0.367 18250 1860 1 2 . 1 1 161 161 ALA N N 161 122.552 122.552 120.998 1.554 18250 1861 1 2 . 1 1 161 161 ALA HA H 161 4.160 4.160 4.100 0.060 18250 1862 1 2 . 1 1 161 161 ALA C C 161 178.993 178.993 179.498 -0.505 18250 1863 1 2 . 1 1 161 161 ALA CA C 161 53.807 53.807 54.342 -0.535 18250 1864 1 2 . 1 1 161 161 ALA CB C 161 18.845 18.845 18.084 0.761 18250 1865 1 2 . 1 1 161 161 ALA H H 161 8.054 8.054 7.941 0.113 18250 1866 1 2 . 1 1 162 162 GLU N N 162 118.709 118.709 118.934 -0.225 18250 1867 1 2 . 1 1 162 162 GLU HA H 162 4.175 4.175 4.007 0.168 18250 1868 1 2 . 1 1 162 162 GLU C C 162 177.630 177.630 178.496 -0.866 18250 1869 1 2 . 1 1 162 162 GLU CA C 162 57.788 57.788 59.005 -1.217 18250 1870 1 2 . 1 1 162 162 GLU CB C 162 29.767 29.767 29.021 0.746 18250 1871 1 2 . 1 1 162 162 GLU H H 162 8.330 8.330 7.981 0.349 18250 1872 1 2 . 1 1 163 163 SER N N 163 115.336 115.336 115.362 -0.026 18250 1873 1 2 . 1 1 163 163 SER HA H 163 4.378 4.378 4.494 -0.116 18250 1874 1 2 . 1 1 163 163 SER C C 163 175.241 175.241 174.930 0.311 18250 1875 1 2 . 1 1 163 163 SER CA C 163 59.419 59.419 58.925 0.494 18250 1876 1 2 . 1 1 163 163 SER CB C 163 63.456 63.456 63.242 0.214 18250 1877 1 2 . 1 1 163 163 SER H H 163 8.122 8.122 7.674 0.448 18250 1878 1 2 . 1 1 164 164 ARG N N 164 121.905 121.905 119.684 2.221 18250 1879 1 2 . 1 1 164 164 ARG HA H 164 4.328 4.328 4.501 -0.173 18250 1880 1 2 . 1 1 164 164 ARG C C 164 176.812 176.812 176.809 0.003 18250 1881 1 2 . 1 1 164 164 ARG CA C 164 56.772 56.772 55.911 0.861 18250 1882 1 2 . 1 1 164 164 ARG CB C 164 30.508 30.508 30.334 0.174 18250 1883 1 2 . 1 1 164 164 ARG H H 164 8.054 8.054 7.830 0.224 18250 1884 1 2 . 1 1 165 165 LYS N N 165 121.165 121.165 120.215 0.950 18250 1885 1 2 . 1 1 165 165 LYS HA H 165 4.247 4.247 4.126 0.121 18250 1886 1 2 . 1 1 165 165 LYS C C 165 177.580 177.580 178.184 -0.604 18250 1887 1 2 . 1 1 165 165 LYS CA C 165 57.272 57.272 59.467 -2.195 18250 1888 1 2 . 1 1 165 165 LYS CB C 165 32.845 32.845 31.707 1.138 18250 1889 1 2 . 1 1 165 165 LYS H H 165 8.111 8.111 7.402 0.709 18250 1890 1 2 . 1 1 166 166 GLY N N 166 109.466 109.466 108.003 1.463 18250 1891 1 2 . 1 1 166 166 GLY C C 166 174.696 174.696 176.362 -1.666 18250 1892 1 2 . 1 1 166 166 GLY CA C 166 45.691 45.691 46.678 -0.987 18250 1893 1 2 . 1 1 166 166 GLY H H 166 8.444 8.444 8.484 -0.040 18250 1894 1 2 . 1 1 167 167 GLN N N 167 119.704 119.704 119.862 -0.158 18250 1895 1 2 . 1 1 167 167 GLN HA H 167 4.342 4.342 4.002 0.340 18250 1896 1 2 . 1 1 167 167 GLN C C 167 176.093 176.093 177.878 -1.785 18250 1897 1 2 . 1 1 167 167 GLN CA C 167 56.161 56.161 58.270 -2.108 18250 1898 1 2 . 1 1 167 167 GLN CB C 167 29.403 29.403 27.905 1.498 18250 1899 1 2 . 1 1 167 167 GLN H H 167 8.143 8.143 8.348 -0.205 18250 1900 1 2 . 1 1 168 168 GLU N N 168 121.765 121.765 121.474 0.291 18250 1901 1 2 . 1 1 168 168 GLU HA H 168 4.224 4.224 3.921 0.303 18250 1902 1 2 . 1 1 168 168 GLU C C 168 176.750 176.750 178.840 -2.090 18250 1903 1 2 . 1 1 168 168 GLU CA C 168 57.344 57.344 59.846 -2.502 18250 1904 1 2 . 1 1 168 168 GLU CB C 168 29.990 29.990 29.651 0.339 18250 1905 1 2 . 1 1 168 168 GLU H H 168 8.526 8.526 7.899 0.627 18250 1906 1 2 . 1 1 169 169 ARG N N 169 121.114 121.114 116.908 4.206 18250 1907 1 2 . 1 1 169 169 ARG HA H 169 4.291 4.291 4.046 0.245 18250 1908 1 2 . 1 1 169 169 ARG C C 169 177.587 177.587 178.330 -0.743 18250 1909 1 2 . 1 1 169 169 ARG CA C 169 56.338 56.338 58.514 -2.176 18250 1910 1 2 . 1 1 169 169 ARG CB C 169 30.516 30.516 29.984 0.532 18250 1911 1 2 . 1 1 169 169 ARG H H 169 8.284 8.284 7.692 0.592 18250 1912 1 2 . 1 1 170 170 LEU N N 170 122.853 122.853 120.940 1.913 18250 1913 1 2 . 1 1 170 170 LEU HA H 170 4.399 4.399 4.238 0.161 18250 1914 1 2 . 1 1 170 170 LEU C C 170 177.364 177.364 178.301 -0.937 18250 1915 1 2 . 1 1 170 170 LEU CA C 170 55.290 55.290 56.993 -1.703 18250 1916 1 2 . 1 1 170 170 LEU CB C 170 42.424 42.424 42.423 0.001 18250 1917 1 2 . 1 1 170 170 LEU H H 170 8.181 8.181 7.631 0.550 18250 1918 1 2 . 1 1 171 171 GLU N N 171 120.823 120.823 117.001 3.822 18250 1919 1 2 . 1 1 171 171 GLU C C 171 176.255 176.255 177.248 -0.993 18250 1920 1 2 . 1 1 171 171 GLU CA C 171 56.725 56.725 57.755 -1.030 18250 1921 1 2 . 1 1 171 171 GLU CB C 171 30.289 30.289 29.977 0.312 18250 1922 1 2 . 1 1 171 171 GLU H H 171 8.352 8.352 8.088 0.264 18250 1923 1 3 . 1 1 2 2 SER N N 2 122.263 122.263 117.304 4.959 18250 1924 1 3 . 1 1 2 2 SER HA H 2 4.270 4.270 4.507 -0.237 18250 1925 1 3 . 1 1 2 2 SER CA C 2 59.961 59.961 61.246 -1.285 18250 1926 1 3 . 1 1 2 2 SER CB C 2 64.958 64.958 62.637 2.321 18250 1927 1 3 . 1 1 2 2 SER H H 2 7.955 7.955 8.597 -0.642 18250 1928 1 3 . 1 1 3 3 GLN HA H 3 4.387 4.387 4.161 0.226 18250 1929 1 3 . 1 1 3 3 GLN C C 3 179.078 179.078 177.909 1.169 18250 1930 1 3 . 1 1 3 3 GLN CA C 3 56.616 56.616 58.766 -2.150 18250 1931 1 3 . 1 1 3 3 GLN CB C 3 29.224 29.224 28.460 0.764 18250 1932 1 3 . 1 1 4 4 SER N N 4 117.102 117.102 114.602 2.500 18250 1933 1 3 . 1 1 4 4 SER HA H 4 4.465 4.465 4.242 0.223 18250 1934 1 3 . 1 1 4 4 SER C C 4 175.930 175.930 176.370 -0.440 18250 1935 1 3 . 1 1 4 4 SER CA C 4 58.994 58.994 60.905 -1.911 18250 1936 1 3 . 1 1 4 4 SER CB C 4 63.490 63.490 61.854 1.636 18250 1937 1 3 . 1 1 4 4 SER H H 4 8.647 8.647 8.605 0.042 18250 1938 1 3 . 1 1 5 5 ASN N N 5 122.476 122.476 121.648 0.828 18250 1939 1 3 . 1 1 5 5 ASN HA H 5 4.744 4.744 4.588 0.156 18250 1940 1 3 . 1 1 5 5 ASN C C 5 177.378 177.378 177.714 -0.336 18250 1941 1 3 . 1 1 5 5 ASN CA C 5 56.150 56.150 56.221 -0.071 18250 1942 1 3 . 1 1 5 5 ASN CB C 5 38.363 38.363 38.209 0.154 18250 1943 1 3 . 1 1 5 5 ASN H H 5 8.603 8.603 8.178 0.425 18250 1944 1 3 . 1 1 6 6 ARG N N 6 120.024 120.024 120.614 -0.590 18250 1945 1 3 . 1 1 6 6 ARG HA H 6 3.927 3.927 4.194 -0.267 18250 1946 1 3 . 1 1 6 6 ARG C C 6 177.331 177.331 177.860 -0.529 18250 1947 1 3 . 1 1 6 6 ARG CA C 6 59.861 59.861 59.163 0.698 18250 1948 1 3 . 1 1 6 6 ARG CB C 6 29.756 29.756 30.444 -0.688 18250 1949 1 3 . 1 1 6 6 ARG H H 6 8.252 8.252 7.817 0.435 18250 1950 1 3 . 1 1 7 7 GLU N N 7 117.799 117.799 120.349 -2.550 18250 1951 1 3 . 1 1 7 7 GLU HA H 7 3.907 3.907 4.094 -0.187 18250 1952 1 3 . 1 1 7 7 GLU C C 7 179.388 179.388 179.262 0.126 18250 1953 1 3 . 1 1 7 7 GLU CA C 7 59.380 59.380 59.062 0.318 18250 1954 1 3 . 1 1 7 7 GLU CB C 7 29.624 29.624 29.068 0.556 18250 1955 1 3 . 1 1 7 7 GLU H H 7 7.953 7.953 7.670 0.283 18250 1956 1 3 . 1 1 8 8 LEU N N 8 119.794 119.794 119.229 0.565 18250 1957 1 3 . 1 1 8 8 LEU HA H 8 3.875 3.875 3.983 -0.108 18250 1958 1 3 . 1 1 8 8 LEU C C 8 178.368 178.368 179.232 -0.864 18250 1959 1 3 . 1 1 8 8 LEU CA C 8 58.116 58.116 57.710 0.406 18250 1960 1 3 . 1 1 8 8 LEU CB C 8 41.926 41.926 41.468 0.458 18250 1961 1 3 . 1 1 8 8 LEU H H 8 7.726 7.726 8.351 -0.625 18250 1962 1 3 . 1 1 9 9 VAL N N 9 117.818 117.818 118.910 -1.092 18250 1963 1 3 . 1 1 9 9 VAL HA H 9 3.678 3.678 3.687 -0.009 18250 1964 1 3 . 1 1 9 9 VAL C C 9 177.085 177.085 178.106 -1.021 18250 1965 1 3 . 1 1 9 9 VAL CA C 9 67.766 67.766 65.615 2.151 18250 1966 1 3 . 1 1 9 9 VAL CB C 9 32.429 32.429 30.884 1.546 18250 1967 1 3 . 1 1 9 9 VAL H H 9 7.765 7.765 7.247 0.518 18250 1968 1 3 . 1 1 10 10 VAL N N 10 117.317 117.317 121.312 -3.995 18250 1969 1 3 . 1 1 10 10 VAL HA H 10 2.926 2.926 3.267 -0.341 18250 1970 1 3 . 1 1 10 10 VAL C C 10 178.588 178.588 178.196 0.392 18250 1971 1 3 . 1 1 10 10 VAL CA C 10 67.029 67.029 67.261 -0.232 18250 1972 1 3 . 1 1 10 10 VAL CB C 10 31.401 31.401 31.422 -0.021 18250 1973 1 3 . 1 1 10 10 VAL H H 10 8.333 8.333 8.622 -0.289 18250 1974 1 3 . 1 1 11 11 ASP N N 11 120.859 120.859 118.307 2.552 18250 1975 1 3 . 1 1 11 11 ASP HA H 11 4.083 4.083 4.331 -0.248 18250 1976 1 3 . 1 1 11 11 ASP C C 11 177.495 177.495 177.277 0.218 18250 1977 1 3 . 1 1 11 11 ASP CA C 11 58.947 58.947 56.302 2.645 18250 1978 1 3 . 1 1 11 11 ASP CB C 11 43.345 43.345 41.052 2.293 18250 1979 1 3 . 1 1 11 11 ASP H H 11 8.070 8.070 8.369 -0.299 18250 1980 1 3 . 1 1 12 12 PHE N N 12 120.293 120.293 118.910 1.383 18250 1981 1 3 . 1 1 12 12 PHE HA H 12 3.953 3.953 4.286 -0.333 18250 1982 1 3 . 1 1 12 12 PHE C C 12 178.083 178.083 176.607 1.476 18250 1983 1 3 . 1 1 12 12 PHE CA C 12 63.221 63.221 60.554 2.667 18250 1984 1 3 . 1 1 12 12 PHE CB C 12 40.134 40.134 40.189 -0.055 18250 1985 1 3 . 1 1 12 12 PHE H H 12 8.327 8.327 7.468 0.859 18250 1986 1 3 . 1 1 13 13 LEU N N 13 116.845 116.845 120.339 -3.494 18250 1987 1 3 . 1 1 13 13 LEU HA H 13 3.990 3.990 3.872 0.118 18250 1988 1 3 . 1 1 13 13 LEU C C 13 179.454 179.454 179.071 0.383 18250 1989 1 3 . 1 1 13 13 LEU CA C 13 58.291 58.291 57.931 0.360 18250 1990 1 3 . 1 1 13 13 LEU CB C 13 41.739 41.739 41.579 0.160 18250 1991 1 3 . 1 1 13 13 LEU H H 13 8.907 8.907 8.663 0.244 18250 1992 1 3 . 1 1 14 14 SER N N 14 114.306 114.306 114.160 0.146 18250 1993 1 3 . 1 1 14 14 SER HA H 14 4.257 4.257 4.111 0.146 18250 1994 1 3 . 1 1 14 14 SER C C 14 177.281 177.281 176.453 0.828 18250 1995 1 3 . 1 1 14 14 SER CA C 14 62.641 62.641 61.553 1.088 18250 1996 1 3 . 1 1 14 14 SER CB C 14 62.594 62.594 62.753 -0.159 18250 1997 1 3 . 1 1 14 14 SER H H 14 8.503 8.503 8.255 0.248 18250 1998 1 3 . 1 1 15 15 TYR N N 15 124.988 124.988 123.345 1.643 18250 1999 1 3 . 1 1 15 15 TYR HA H 15 4.388 4.388 4.133 0.255 18250 2000 1 3 . 1 1 15 15 TYR C C 15 178.247 178.247 177.065 1.182 18250 2001 1 3 . 1 1 15 15 TYR CA C 15 60.311 60.311 61.915 -1.604 18250 2002 1 3 . 1 1 15 15 TYR CB C 15 37.990 37.990 38.311 -0.321 18250 2003 1 3 . 1 1 15 15 TYR H H 15 8.252 8.252 7.483 0.769 18250 2004 1 3 . 1 1 16 16 LYS N N 16 120.256 120.256 118.805 1.451 18250 2005 1 3 . 1 1 16 16 LYS HA H 16 3.829 3.829 4.018 -0.189 18250 2006 1 3 . 1 1 16 16 LYS C C 16 180.272 180.272 178.832 1.440 18250 2007 1 3 . 1 1 16 16 LYS CA C 16 57.063 57.063 58.461 -1.398 18250 2008 1 3 . 1 1 16 16 LYS CB C 16 29.849 29.849 32.588 -2.739 18250 2009 1 3 . 1 1 16 16 LYS H H 16 8.331 8.331 7.510 0.821 18250 2010 1 3 . 1 1 17 17 LEU N N 17 118.564 118.564 120.699 -2.135 18250 2011 1 3 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.076 -0.001 18250 2012 1 3 . 1 1 17 17 LEU C C 17 179.917 179.917 178.527 1.390 18250 2013 1 3 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.433 0.260 18250 2014 1 3 . 1 1 17 17 LEU CB C 17 41.178 41.178 41.870 -0.692 18250 2015 1 3 . 1 1 17 17 LEU H H 17 8.726 8.726 8.640 0.086 18250 2016 1 3 . 1 1 18 18 SER N N 18 117.861 117.861 113.873 3.988 18250 2017 1 3 . 1 1 18 18 SER HA H 18 4.696 4.696 4.253 0.443 18250 2018 1 3 . 1 1 18 18 SER C C 18 178.612 178.612 176.116 2.496 18250 2019 1 3 . 1 1 18 18 SER CA C 18 61.783 61.783 60.984 0.799 18250 2020 1 3 . 1 1 18 18 SER CB C 18 62.613 62.613 63.143 -0.530 18250 2021 1 3 . 1 1 18 18 SER H H 18 8.394 8.394 8.012 0.382 18250 2022 1 3 . 1 1 19 19 GLN N N 19 122.899 122.899 119.615 3.284 18250 2023 1 3 . 1 1 19 19 GLN HA H 19 4.017 4.017 4.040 -0.023 18250 2024 1 3 . 1 1 19 19 GLN C C 19 177.237 177.237 177.551 -0.314 18250 2025 1 3 . 1 1 19 19 GLN CA C 19 58.536 58.536 58.042 0.494 18250 2026 1 3 . 1 1 19 19 GLN CB C 19 28.795 28.795 28.738 0.057 18250 2027 1 3 . 1 1 19 19 GLN H H 19 7.691 7.691 7.371 0.320 18250 2028 1 3 . 1 1 20 20 LYS N N 20 116.425 116.425 116.593 -0.168 18250 2029 1 3 . 1 1 20 20 LYS HA H 20 4.425 4.425 4.232 0.193 18250 2030 1 3 . 1 1 20 20 LYS C C 20 175.581 175.581 176.114 -0.533 18250 2031 1 3 . 1 1 20 20 LYS CA C 20 54.032 54.032 55.736 -1.704 18250 2032 1 3 . 1 1 20 20 LYS CB C 20 32.659 32.659 32.394 0.265 18250 2033 1 3 . 1 1 20 20 LYS H H 20 7.268 7.268 7.622 -0.354 18250 2034 1 3 . 1 1 21 21 GLY N N 21 105.593 105.593 107.186 -1.593 18250 2035 1 3 . 1 1 21 21 GLY C C 21 174.012 174.012 174.075 -0.063 18250 2036 1 3 . 1 1 21 21 GLY CA C 21 45.316 45.316 45.254 0.062 18250 2037 1 3 . 1 1 21 21 GLY H H 21 7.620 7.620 7.498 0.122 18250 2038 1 3 . 1 1 22 22 TYR N N 22 119.884 119.884 119.827 0.057 18250 2039 1 3 . 1 1 22 22 TYR HA H 22 5.047 5.047 4.816 0.231 18250 2040 1 3 . 1 1 22 22 TYR C C 22 175.024 175.024 174.938 0.086 18250 2041 1 3 . 1 1 22 22 TYR CA C 22 55.645 55.645 55.657 -0.012 18250 2042 1 3 . 1 1 22 22 TYR CB C 22 40.969 40.969 40.517 0.452 18250 2043 1 3 . 1 1 22 22 TYR H H 22 7.892 7.892 8.190 -0.298 18250 2044 1 3 . 1 1 23 23 SER N N 23 115.410 115.410 119.149 -3.739 18250 2045 1 3 . 1 1 23 23 SER HA H 23 4.863 4.863 4.671 0.192 18250 2046 1 3 . 1 1 23 23 SER C C 23 174.483 174.483 174.924 -0.441 18250 2047 1 3 . 1 1 23 23 SER CA C 23 56.776 56.776 57.535 -0.758 18250 2048 1 3 . 1 1 23 23 SER CB C 23 64.778 64.778 63.721 1.057 18250 2049 1 3 . 1 1 23 23 SER H H 23 8.561 8.561 8.873 -0.312 18250 2050 1 3 . 1 1 24 24 TRP N N 24 127.533 127.533 128.700 -1.167 18250 2051 1 3 . 1 1 24 24 TRP HA H 24 4.346 4.346 4.408 -0.062 18250 2052 1 3 . 1 1 24 24 TRP C C 24 176.876 176.876 176.277 0.599 18250 2053 1 3 . 1 1 24 24 TRP CA C 24 60.051 60.051 59.982 0.069 18250 2054 1 3 . 1 1 24 24 TRP CB C 24 30.824 30.824 29.735 1.089 18250 2055 1 3 . 1 1 24 24 TRP H H 24 9.026 9.026 9.238 -0.212 18250 2056 1 3 . 1 1 25 25 SER N N 25 112.236 112.236 112.938 -0.702 18250 2057 1 3 . 1 1 25 25 SER HA H 25 4.104 4.104 3.971 0.133 18250 2058 1 3 . 1 1 25 25 SER C C 25 175.164 175.164 175.001 0.163 18250 2059 1 3 . 1 1 25 25 SER CA C 25 60.033 60.033 60.544 -0.510 18250 2060 1 3 . 1 1 25 25 SER CB C 25 62.931 62.931 62.312 0.619 18250 2061 1 3 . 1 1 25 25 SER H H 25 8.236 8.236 8.048 0.188 18250 2062 1 3 . 1 1 26 26 GLN N N 26 119.530 119.530 118.964 0.566 18250 2063 1 3 . 1 1 26 26 GLN HA H 26 3.895 3.895 3.993 -0.098 18250 2064 1 3 . 1 1 26 26 GLN C C 26 176.075 176.075 176.824 -0.749 18250 2065 1 3 . 1 1 26 26 GLN CA C 26 56.959 56.959 57.428 -0.469 18250 2066 1 3 . 1 1 26 26 GLN CB C 26 28.764 28.764 28.753 0.011 18250 2067 1 3 . 1 1 26 26 GLN H H 26 7.467 7.467 7.049 0.418 18250 2068 1 3 . 1 1 27 27 PHE N N 27 116.668 116.668 117.001 -0.333 18250 2069 1 3 . 1 1 27 27 PHE HA H 27 4.594 4.594 4.419 0.175 18250 2070 1 3 . 1 1 27 27 PHE C C 27 175.107 175.107 176.125 -1.018 18250 2071 1 3 . 1 1 27 27 PHE CA C 27 56.629 56.629 57.845 -1.216 18250 2072 1 3 . 1 1 27 27 PHE CB C 27 39.909 39.909 39.511 0.398 18250 2073 1 3 . 1 1 27 27 PHE H H 27 7.343 7.343 7.013 0.330 18250 2074 1 3 . 1 1 28 28 SER N N 28 114.121 114.121 115.615 -1.494 18250 2075 1 3 . 1 1 28 28 SER HA H 28 4.151 4.151 4.269 -0.118 18250 2076 1 3 . 1 1 28 28 SER C C 28 173.703 173.703 173.566 0.137 18250 2077 1 3 . 1 1 28 28 SER CA C 28 57.662 57.662 57.328 0.334 18250 2078 1 3 . 1 1 28 28 SER CB C 28 63.931 63.931 64.150 -0.219 18250 2079 1 3 . 1 1 28 28 SER H H 28 7.336 7.336 7.366 -0.030 18250 2080 1 3 . 1 1 29 29 ASP N N 29 122.733 122.733 128.484 -5.751 18250 2081 1 3 . 1 1 29 29 ASP HA H 29 4.601 4.601 4.614 -0.013 18250 2082 1 3 . 1 1 29 29 ASP C C 29 176.320 176.320 176.976 -0.656 18250 2083 1 3 . 1 1 29 29 ASP CA C 29 54.194 54.194 54.294 -0.100 18250 2084 1 3 . 1 1 29 29 ASP CB C 29 41.145 41.145 40.929 0.216 18250 2085 1 3 . 1 1 29 29 ASP H H 29 8.370 8.370 8.590 -0.220 18250 2086 1 3 . 1 1 30 30 VAL N N 30 119.197 119.197 124.392 -5.195 18250 2087 1 3 . 1 1 30 30 VAL HA H 30 4.096 4.096 3.656 0.440 18250 2088 1 3 . 1 1 30 30 VAL C C 30 176.232 176.232 177.235 -1.003 18250 2089 1 3 . 1 1 30 30 VAL CA C 30 62.417 62.417 66.041 -3.624 18250 2090 1 3 . 1 1 30 30 VAL CB C 30 33.024 33.024 31.970 1.054 18250 2091 1 3 . 1 1 30 30 VAL H H 30 7.968 7.968 8.212 -0.244 18250 2092 1 3 . 1 1 31 31 GLU N N 31 124.470 124.470 116.869 7.601 18250 2093 1 3 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.224 0.036 18250 2094 1 3 . 1 1 31 31 GLU C C 31 176.526 176.526 178.785 -2.259 18250 2095 1 3 . 1 1 31 31 GLU CA C 31 56.706 56.706 58.377 -1.671 18250 2096 1 3 . 1 1 31 31 GLU CB C 31 30.250 30.250 28.770 1.480 18250 2097 1 3 . 1 1 31 31 GLU H H 31 8.502 8.502 8.543 -0.041 18250 2098 1 3 . 1 1 32 32 GLU N N 32 122.145 122.145 118.099 4.046 18250 2099 1 3 . 1 1 32 32 GLU HA H 32 4.233 4.233 4.123 0.110 18250 2100 1 3 . 1 1 32 32 GLU C C 32 176.172 176.172 177.164 -0.992 18250 2101 1 3 . 1 1 32 32 GLU CA C 32 56.732 56.732 58.280 -1.548 18250 2102 1 3 . 1 1 32 32 GLU CB C 32 30.643 30.643 29.644 0.999 18250 2103 1 3 . 1 1 32 32 GLU H H 32 8.426 8.426 8.553 -0.127 18250 2104 1 3 . 1 1 33 33 ASN N N 33 119.562 119.562 117.747 1.815 18250 2105 1 3 . 1 1 33 33 ASN HA H 33 4.708 4.708 4.847 -0.139 18250 2106 1 3 . 1 1 33 33 ASN C C 33 174.983 174.983 173.597 1.386 18250 2107 1 3 . 1 1 33 33 ASN CA C 33 53.360 53.360 52.753 0.607 18250 2108 1 3 . 1 1 33 33 ASN CB C 33 38.994 38.994 39.408 -0.414 18250 2109 1 3 . 1 1 33 33 ASN H H 33 8.503 8.503 7.675 0.828 18250 2110 1 3 . 1 1 34 34 ARG N N 34 122.040 122.040 123.319 -1.279 18250 2111 1 3 . 1 1 34 34 ARG HA H 34 4.411 4.411 4.487 -0.076 18250 2112 1 3 . 1 1 34 34 ARG C C 34 176.470 176.470 176.719 -0.249 18250 2113 1 3 . 1 1 34 34 ARG CA C 34 56.151 56.151 56.586 -0.435 18250 2114 1 3 . 1 1 34 34 ARG CB C 34 30.891 30.891 29.683 1.208 18250 2115 1 3 . 1 1 34 34 ARG H H 34 8.330 8.330 8.367 -0.037 18250 2116 1 3 . 1 1 35 35 THR N N 35 115.850 115.850 117.405 -1.555 18250 2117 1 3 . 1 1 35 35 THR HA H 35 4.329 4.329 4.492 -0.163 18250 2118 1 3 . 1 1 35 35 THR C C 35 174.429 174.429 174.362 0.067 18250 2119 1 3 . 1 1 35 35 THR CA C 35 62.079 62.079 61.219 0.860 18250 2120 1 3 . 1 1 35 35 THR CB C 35 69.825 69.825 69.480 0.345 18250 2121 1 3 . 1 1 35 35 THR H H 35 8.283 8.283 8.392 -0.109 18250 2122 1 3 . 1 1 36 36 GLU N N 36 123.074 123.074 128.073 -4.999 18250 2123 1 3 . 1 1 36 36 GLU HA H 36 4.311 4.311 4.450 -0.139 18250 2124 1 3 . 1 1 36 36 GLU C C 36 175.641 175.641 176.179 -0.538 18250 2125 1 3 . 1 1 36 36 GLU CA C 36 56.396 56.396 55.364 1.032 18250 2126 1 3 . 1 1 36 36 GLU CB C 36 30.379 30.379 30.107 0.272 18250 2127 1 3 . 1 1 36 36 GLU H H 36 8.402 8.402 8.723 -0.321 18250 2128 1 3 . 1 1 37 37 ALA N N 37 126.190 126.190 129.918 -3.728 18250 2129 1 3 . 1 1 37 37 ALA HA H 37 4.613 4.613 4.419 0.194 18250 2130 1 3 . 1 1 37 37 ALA C C 37 175.419 175.419 175.588 -0.169 18250 2131 1 3 . 1 1 37 37 ALA CA C 37 50.532 50.532 50.702 -0.170 18250 2132 1 3 . 1 1 37 37 ALA CB C 37 18.633 18.633 18.856 -0.223 18250 2133 1 3 . 1 1 37 37 ALA H H 37 8.314 8.314 8.345 -0.031 18250 2134 1 3 . 1 1 38 38 PRO HA H 38 4.427 4.427 4.547 -0.120 18250 2135 1 3 . 1 1 38 38 PRO C C 38 177.029 177.029 176.058 0.971 18250 2136 1 3 . 1 1 38 38 PRO CA C 38 63.216 63.216 62.276 0.940 18250 2137 1 3 . 1 1 38 38 PRO CB C 38 32.134 32.134 32.453 -0.319 18250 2138 1 3 . 1 1 39 39 GLU N N 39 121.295 121.295 124.485 -3.190 18250 2139 1 3 . 1 1 39 39 GLU HA H 39 4.301 4.301 4.498 -0.197 18250 2140 1 3 . 1 1 39 39 GLU C C 39 177.079 177.079 176.961 0.118 18250 2141 1 3 . 1 1 39 39 GLU CA C 39 56.836 56.836 55.792 1.044 18250 2142 1 3 . 1 1 39 39 GLU CB C 39 30.441 30.441 29.473 0.968 18250 2143 1 3 . 1 1 39 39 GLU H H 39 8.640 8.640 8.584 0.056 18250 2144 1 3 . 1 1 40 40 GLY N N 40 110.317 110.317 112.916 -2.599 18250 2145 1 3 . 1 1 40 40 GLY C C 40 174.602 174.602 174.600 0.002 18250 2146 1 3 . 1 1 40 40 GLY CA C 40 45.485 45.485 44.372 1.113 18250 2147 1 3 . 1 1 40 40 GLY H H 40 8.521 8.521 8.208 0.313 18250 2148 1 3 . 1 1 41 41 THR N N 41 113.178 113.178 115.475 -2.297 18250 2149 1 3 . 1 1 41 41 THR HA H 41 4.385 4.385 4.074 0.311 18250 2150 1 3 . 1 1 41 41 THR C C 41 175.499 175.499 176.181 -0.682 18250 2151 1 3 . 1 1 41 41 THR CA C 41 62.273 62.273 65.421 -3.148 18250 2152 1 3 . 1 1 41 41 THR CB C 41 69.917 69.917 69.096 0.821 18250 2153 1 3 . 1 1 41 41 THR H H 41 8.268 8.268 8.514 -0.246 18250 2154 1 3 . 1 1 42 42 GLU N N 42 123.140 123.140 119.264 3.876 18250 2155 1 3 . 1 1 42 42 GLU HA H 42 4.371 4.371 4.330 0.041 18250 2156 1 3 . 1 1 42 42 GLU C C 42 177.161 177.161 177.774 -0.613 18250 2157 1 3 . 1 1 42 42 GLU CA C 42 57.492 57.492 58.095 -0.603 18250 2158 1 3 . 1 1 42 42 GLU CB C 42 29.924 29.924 29.049 0.875 18250 2159 1 3 . 1 1 42 42 GLU H H 42 8.847 8.847 8.586 0.261 18250 2160 1 3 . 1 1 43 43 SER N N 43 115.679 115.679 115.767 -0.088 18250 2161 1 3 . 1 1 43 43 SER HA H 43 4.430 4.430 4.140 0.290 18250 2162 1 3 . 1 1 43 43 SER C C 43 175.673 175.673 176.188 -0.515 18250 2163 1 3 . 1 1 43 43 SER CA C 43 58.925 58.925 61.341 -2.416 18250 2164 1 3 . 1 1 43 43 SER CB C 43 63.710 63.710 62.898 0.812 18250 2165 1 3 . 1 1 43 43 SER H H 43 8.510 8.510 8.479 0.031 18250 2166 1 3 . 1 1 44 44 GLU N N 44 123.102 123.102 119.686 3.416 18250 2167 1 3 . 1 1 44 44 GLU HA H 44 3.992 3.992 4.239 -0.247 18250 2168 1 3 . 1 1 44 44 GLU C C 44 177.924 177.924 177.559 0.365 18250 2169 1 3 . 1 1 44 44 GLU CA C 44 59.074 59.074 57.887 1.187 18250 2170 1 3 . 1 1 44 44 GLU CB C 44 29.413 29.413 29.030 0.383 18250 2171 1 3 . 1 1 44 44 GLU H H 44 8.350 8.350 8.010 0.340 18250 2172 1 3 . 1 1 45 45 ALA N N 45 120.958 120.958 122.803 -1.845 18250 2173 1 3 . 1 1 45 45 ALA HA H 45 4.131 4.131 4.228 -0.097 18250 2174 1 3 . 1 1 45 45 ALA C C 45 180.641 180.641 179.303 1.338 18250 2175 1 3 . 1 1 45 45 ALA CA C 45 55.157 55.157 54.775 0.382 18250 2176 1 3 . 1 1 45 45 ALA CB C 45 18.575 18.575 18.623 -0.049 18250 2177 1 3 . 1 1 45 45 ALA H H 45 8.227 8.227 7.403 0.824 18250 2178 1 3 . 1 1 46 46 VAL N N 46 118.867 118.867 119.399 -0.532 18250 2179 1 3 . 1 1 46 46 VAL HA H 46 3.496 3.496 3.491 0.005 18250 2180 1 3 . 1 1 46 46 VAL C C 46 176.724 176.724 176.815 -0.091 18250 2181 1 3 . 1 1 46 46 VAL CA C 46 66.189 66.189 65.952 0.237 18250 2182 1 3 . 1 1 46 46 VAL CB C 46 31.811 31.811 31.052 0.760 18250 2183 1 3 . 1 1 46 46 VAL H H 46 7.569 7.569 7.932 -0.363 18250 2184 1 3 . 1 1 47 47 LYS N N 47 117.922 117.922 118.927 -1.005 18250 2185 1 3 . 1 1 47 47 LYS HA H 47 3.719 3.719 3.760 -0.041 18250 2186 1 3 . 1 1 47 47 LYS C C 47 178.888 178.888 178.545 0.343 18250 2187 1 3 . 1 1 47 47 LYS CA C 47 59.801 59.801 59.700 0.101 18250 2188 1 3 . 1 1 47 47 LYS CB C 47 32.514 32.514 32.049 0.465 18250 2189 1 3 . 1 1 47 47 LYS H H 47 7.437 7.437 7.516 -0.079 18250 2190 1 3 . 1 1 48 48 GLN N N 48 116.490 116.490 117.790 -1.300 18250 2191 1 3 . 1 1 48 48 GLN HA H 48 3.712 3.712 4.139 -0.427 18250 2192 1 3 . 1 1 48 48 GLN C C 48 177.625 177.625 177.785 -0.160 18250 2193 1 3 . 1 1 48 48 GLN CA C 48 59.027 59.027 57.840 1.187 18250 2194 1 3 . 1 1 48 48 GLN CB C 48 28.103 28.103 28.378 -0.275 18250 2195 1 3 . 1 1 48 48 GLN H H 48 8.168 8.168 7.324 0.844 18250 2196 1 3 . 1 1 49 49 ALA N N 49 120.362 120.362 124.612 -4.250 18250 2197 1 3 . 1 1 49 49 ALA HA H 49 4.227 4.227 4.010 0.217 18250 2198 1 3 . 1 1 49 49 ALA C C 49 179.807 179.807 179.503 0.304 18250 2199 1 3 . 1 1 49 49 ALA CA C 49 54.930 54.930 55.027 -0.097 18250 2200 1 3 . 1 1 49 49 ALA CB C 49 18.708 18.708 18.353 0.355 18250 2201 1 3 . 1 1 49 49 ALA H H 49 7.789 7.789 8.403 -0.614 18250 2202 1 3 . 1 1 50 50 LEU N N 50 120.591 120.591 117.528 3.063 18250 2203 1 3 . 1 1 50 50 LEU HA H 50 4.151 4.151 3.990 0.161 18250 2204 1 3 . 1 1 50 50 LEU C C 50 179.225 179.225 179.167 0.058 18250 2205 1 3 . 1 1 50 50 LEU CA C 50 58.581 58.581 56.705 1.876 18250 2206 1 3 . 1 1 50 50 LEU CB C 50 42.279 42.279 39.890 2.389 18250 2207 1 3 . 1 1 50 50 LEU H H 50 8.491 8.491 8.625 -0.134 18250 2208 1 3 . 1 1 51 51 ARG N N 51 118.934 118.934 120.484 -1.550 18250 2209 1 3 . 1 1 51 51 ARG HA H 51 3.772 3.772 4.198 -0.426 18250 2210 1 3 . 1 1 51 51 ARG C C 51 178.618 178.618 178.628 -0.010 18250 2211 1 3 . 1 1 51 51 ARG CA C 51 60.954 60.954 59.695 1.259 18250 2212 1 3 . 1 1 51 51 ARG CB C 51 30.888 30.888 29.999 0.889 18250 2213 1 3 . 1 1 51 51 ARG H H 51 8.170 8.170 7.675 0.495 18250 2214 1 3 . 1 1 52 52 GLU N N 52 116.532 116.532 119.342 -2.810 18250 2215 1 3 . 1 1 52 52 GLU HA H 52 4.156 4.156 4.151 0.005 18250 2216 1 3 . 1 1 52 52 GLU C C 52 179.937 179.937 178.874 1.063 18250 2217 1 3 . 1 1 52 52 GLU CA C 52 59.383 59.383 58.948 0.435 18250 2218 1 3 . 1 1 52 52 GLU CB C 52 29.640 29.640 29.767 -0.127 18250 2219 1 3 . 1 1 52 52 GLU H H 52 7.914 7.914 7.977 -0.063 18250 2220 1 3 . 1 1 53 53 ALA N N 53 123.226 123.226 122.308 0.918 18250 2221 1 3 . 1 1 53 53 ALA HA H 53 4.473 4.473 4.251 0.222 18250 2222 1 3 . 1 1 53 53 ALA C C 53 181.683 181.683 179.731 1.952 18250 2223 1 3 . 1 1 53 53 ALA CA C 53 55.114 55.114 55.091 0.023 18250 2224 1 3 . 1 1 53 53 ALA CB C 53 19.476 19.476 18.141 1.335 18250 2225 1 3 . 1 1 53 53 ALA H H 53 8.902 8.902 8.565 0.337 18250 2226 1 3 . 1 1 54 54 GLY N N 54 108.711 108.711 106.188 2.523 18250 2227 1 3 . 1 1 54 54 GLY C C 54 175.330 175.330 175.884 -0.554 18250 2228 1 3 . 1 1 54 54 GLY CA C 54 47.111 47.111 47.254 -0.143 18250 2229 1 3 . 1 1 54 54 GLY H H 54 9.186 9.186 8.583 0.603 18250 2230 1 3 . 1 1 55 55 ASP N N 55 122.891 122.891 121.174 1.717 18250 2231 1 3 . 1 1 55 55 ASP C C 55 179.023 179.023 178.144 0.879 18250 2232 1 3 . 1 1 55 55 ASP CA C 55 57.752 57.752 57.221 0.531 18250 2233 1 3 . 1 1 55 55 ASP CB C 55 39.839 39.839 41.249 -1.410 18250 2234 1 3 . 1 1 55 55 ASP H H 55 8.224 8.224 7.751 0.473 18250 2235 1 3 . 1 1 56 56 GLU N N 56 120.753 120.753 120.863 -0.110 18250 2236 1 3 . 1 1 56 56 GLU HA H 56 4.180 4.180 4.173 0.007 18250 2237 1 3 . 1 1 56 56 GLU C C 56 178.472 178.472 178.501 -0.029 18250 2238 1 3 . 1 1 56 56 GLU CA C 56 59.600 59.600 58.988 0.612 18250 2239 1 3 . 1 1 56 56 GLU CB C 56 29.782 29.782 29.540 0.242 18250 2240 1 3 . 1 1 56 56 GLU H H 56 8.282 8.282 7.682 0.600 18250 2241 1 3 . 1 1 57 57 PHE N N 57 121.604 121.604 120.636 0.968 18250 2242 1 3 . 1 1 57 57 PHE HA H 57 4.341 4.341 4.354 -0.013 18250 2243 1 3 . 1 1 57 57 PHE C C 57 177.008 177.008 177.655 -0.647 18250 2244 1 3 . 1 1 57 57 PHE CA C 57 61.915 61.915 61.944 -0.029 18250 2245 1 3 . 1 1 57 57 PHE CB C 57 40.025 40.025 39.475 0.550 18250 2246 1 3 . 1 1 57 57 PHE H H 57 8.671 8.671 8.756 -0.085 18250 2247 1 3 . 1 1 58 58 GLU N N 58 116.765 116.765 119.758 -2.993 18250 2248 1 3 . 1 1 58 58 GLU HA H 58 3.667 3.667 3.766 -0.099 18250 2249 1 3 . 1 1 58 58 GLU C C 58 177.661 177.661 178.064 -0.403 18250 2250 1 3 . 1 1 58 58 GLU CA C 58 58.795 58.795 59.518 -0.723 18250 2251 1 3 . 1 1 58 58 GLU CB C 58 29.783 29.783 29.670 0.113 18250 2252 1 3 . 1 1 58 58 GLU H H 58 8.136 8.136 8.403 -0.267 18250 2253 1 3 . 1 1 59 59 LEU N N 59 117.344 117.344 120.139 -2.795 18250 2254 1 3 . 1 1 59 59 LEU HA H 59 4.201 4.201 4.266 -0.065 18250 2255 1 3 . 1 1 59 59 LEU C C 59 178.953 178.953 179.242 -0.289 18250 2256 1 3 . 1 1 59 59 LEU CA C 59 56.973 56.973 57.505 -0.532 18250 2257 1 3 . 1 1 59 59 LEU CB C 59 42.976 42.976 42.160 0.816 18250 2258 1 3 . 1 1 59 59 LEU H H 59 7.513 7.513 7.695 -0.182 18250 2259 1 3 . 1 1 60 60 ARG N N 60 117.779 117.779 120.446 -2.667 18250 2260 1 3 . 1 1 60 60 ARG HA H 60 3.957 3.957 4.082 -0.125 18250 2261 1 3 . 1 1 60 60 ARG C C 60 177.342 177.342 177.255 0.087 18250 2262 1 3 . 1 1 60 60 ARG CA C 60 57.901 57.901 57.456 0.445 18250 2263 1 3 . 1 1 60 60 ARG CB C 60 31.153 31.153 30.736 0.417 18250 2264 1 3 . 1 1 60 60 ARG H H 60 8.072 8.072 8.344 -0.272 18250 2265 1 3 . 1 1 61 61 TYR N N 61 119.056 119.056 117.042 2.014 18250 2266 1 3 . 1 1 61 61 TYR HA H 61 4.744 4.744 4.664 0.080 18250 2267 1 3 . 1 1 61 61 TYR C C 61 175.214 175.214 174.685 0.529 18250 2268 1 3 . 1 1 61 61 TYR CA C 61 56.294 56.294 56.740 -0.446 18250 2269 1 3 . 1 1 61 61 TYR CB C 61 37.024 37.024 38.203 -1.179 18250 2270 1 3 . 1 1 61 61 TYR H H 61 8.050 8.050 7.841 0.209 18250 2271 1 3 . 1 1 62 62 ARG N N 62 119.956 119.956 121.761 -1.805 18250 2272 1 3 . 1 1 62 62 ARG HA H 62 4.058 4.058 4.038 0.020 18250 2273 1 3 . 1 1 62 62 ARG C C 62 178.183 178.183 177.700 0.483 18250 2274 1 3 . 1 1 62 62 ARG CA C 62 59.025 59.025 60.303 -1.278 18250 2275 1 3 . 1 1 62 62 ARG CB C 62 30.139 30.139 30.246 -0.107 18250 2276 1 3 . 1 1 62 62 ARG H H 62 7.419 7.419 7.687 -0.268 18250 2277 1 3 . 1 1 63 63 ARG HA H 63 4.222 4.222 4.134 0.088 18250 2278 1 3 . 1 1 63 63 ARG C C 63 177.387 177.387 178.617 -1.230 18250 2279 1 3 . 1 1 63 63 ARG CA C 63 57.730 57.730 58.971 -1.241 18250 2280 1 3 . 1 1 63 63 ARG CB C 63 29.179 29.179 28.951 0.228 18250 2281 1 3 . 1 1 64 64 ALA N N 64 122.003 122.003 121.913 0.090 18250 2282 1 3 . 1 1 64 64 ALA HA H 64 4.100 4.100 4.213 -0.113 18250 2283 1 3 . 1 1 64 64 ALA C C 64 179.975 179.975 179.539 0.436 18250 2284 1 3 . 1 1 64 64 ALA CA C 64 54.579 54.579 54.882 -0.303 18250 2285 1 3 . 1 1 64 64 ALA CB C 64 18.636 18.636 18.343 0.293 18250 2286 1 3 . 1 1 64 64 ALA H H 64 7.868 7.868 8.099 -0.231 18250 2287 1 3 . 1 1 65 65 PHE N N 65 115.858 115.858 119.978 -4.120 18250 2288 1 3 . 1 1 65 65 PHE HA H 65 4.800 4.800 4.479 0.321 18250 2289 1 3 . 1 1 65 65 PHE C C 65 177.376 177.376 177.488 -0.112 18250 2290 1 3 . 1 1 65 65 PHE CA C 65 58.222 58.222 61.808 -3.586 18250 2291 1 3 . 1 1 65 65 PHE CB C 65 38.877 38.877 39.419 -0.541 18250 2292 1 3 . 1 1 65 65 PHE H H 65 8.579 8.579 8.693 -0.114 18250 2293 1 3 . 1 1 66 66 SER N N 66 116.942 116.942 115.683 1.259 18250 2294 1 3 . 1 1 66 66 SER HA H 66 4.223 4.223 4.270 -0.047 18250 2295 1 3 . 1 1 66 66 SER C C 66 176.472 176.472 176.415 0.057 18250 2296 1 3 . 1 1 66 66 SER CA C 66 61.764 61.764 61.109 0.655 18250 2297 1 3 . 1 1 66 66 SER CB C 66 63.012 63.012 62.763 0.249 18250 2298 1 3 . 1 1 66 66 SER H H 66 8.232 8.232 8.637 -0.405 18250 2299 1 3 . 1 1 67 67 ASP N N 67 121.623 121.623 122.222 -0.599 18250 2300 1 3 . 1 1 67 67 ASP HA H 67 4.487 4.487 4.587 -0.100 18250 2301 1 3 . 1 1 67 67 ASP C C 67 178.404 178.404 178.838 -0.434 18250 2302 1 3 . 1 1 67 67 ASP CA C 67 56.827 56.827 56.666 0.161 18250 2303 1 3 . 1 1 67 67 ASP CB C 67 40.176 40.176 41.026 -0.850 18250 2304 1 3 . 1 1 67 67 ASP H H 67 8.476 8.476 7.970 0.506 18250 2305 1 3 . 1 1 68 68 LEU N N 68 121.200 121.200 120.799 0.401 18250 2306 1 3 . 1 1 68 68 LEU HA H 68 4.104 4.104 4.157 -0.053 18250 2307 1 3 . 1 1 68 68 LEU C C 68 179.046 179.046 177.772 1.274 18250 2308 1 3 . 1 1 68 68 LEU CA C 68 57.972 57.972 57.182 0.790 18250 2309 1 3 . 1 1 68 68 LEU CB C 68 42.555 42.555 42.125 0.430 18250 2310 1 3 . 1 1 68 68 LEU H H 68 7.889 7.889 8.373 -0.484 18250 2311 1 3 . 1 1 69 69 THR N N 69 110.282 110.282 109.514 0.768 18250 2312 1 3 . 1 1 69 69 THR HA H 69 4.086 4.086 3.675 0.411 18250 2313 1 3 . 1 1 69 69 THR C C 69 177.457 177.457 175.908 1.549 18250 2314 1 3 . 1 1 69 69 THR CA C 69 65.839 65.839 64.858 0.981 18250 2315 1 3 . 1 1 69 69 THR CB C 69 68.442 68.442 68.137 0.305 18250 2316 1 3 . 1 1 69 69 THR H H 69 8.493 8.493 7.751 0.742 18250 2317 1 3 . 1 1 70 70 SER N N 70 116.582 116.582 116.428 0.154 18250 2318 1 3 . 1 1 70 70 SER HA H 70 4.330 4.330 4.172 0.158 18250 2319 1 3 . 1 1 70 70 SER C C 70 175.607 175.607 176.749 -1.142 18250 2320 1 3 . 1 1 70 70 SER CA C 70 60.676 60.676 61.533 -0.857 18250 2321 1 3 . 1 1 70 70 SER CB C 70 63.301 63.301 63.237 0.064 18250 2322 1 3 . 1 1 70 70 SER H H 70 7.754 7.754 7.539 0.215 18250 2323 1 3 . 1 1 71 71 GLN N N 71 119.129 119.129 120.854 -1.725 18250 2324 1 3 . 1 1 71 71 GLN HA H 71 4.108 4.108 4.166 -0.058 18250 2325 1 3 . 1 1 71 71 GLN C C 71 176.338 176.338 176.982 -0.644 18250 2326 1 3 . 1 1 71 71 GLN CA C 71 57.407 57.407 57.664 -0.257 18250 2327 1 3 . 1 1 71 71 GLN CB C 71 29.533 29.533 28.803 0.730 18250 2328 1 3 . 1 1 71 71 GLN H H 71 7.754 7.754 7.657 0.097 18250 2329 1 3 . 1 1 72 72 LEU N N 72 118.804 118.804 118.174 0.630 18250 2330 1 3 . 1 1 72 72 LEU HA H 72 4.312 4.312 4.404 -0.092 18250 2331 1 3 . 1 1 72 72 LEU C C 72 174.285 174.285 175.888 -1.603 18250 2332 1 3 . 1 1 72 72 LEU CA C 72 55.437 55.437 53.536 1.901 18250 2333 1 3 . 1 1 72 72 LEU CB C 72 43.888 43.888 42.041 1.847 18250 2334 1 3 . 1 1 72 72 LEU H H 72 7.577 7.577 7.235 0.342 18250 2335 1 3 . 1 1 73 73 HIS HA H 73 4.644 4.644 4.404 0.240 18250 2336 1 3 . 1 1 73 73 HIS C C 73 174.452 174.452 175.287 -0.835 18250 2337 1 3 . 1 1 73 73 HIS CA C 73 54.964 54.964 57.304 -2.340 18250 2338 1 3 . 1 1 73 73 HIS CB C 73 28.747 28.747 29.423 -0.676 18250 2339 1 3 . 1 1 74 74 ILE N N 74 122.470 122.470 128.806 -6.336 18250 2340 1 3 . 1 1 74 74 ILE HA H 74 4.207 4.207 4.140 0.067 18250 2341 1 3 . 1 1 74 74 ILE CA C 74 61.962 61.962 61.347 0.615 18250 2342 1 3 . 1 1 74 74 ILE CB C 74 38.952 38.952 38.374 0.578 18250 2343 1 3 . 1 1 74 74 ILE H H 74 8.767 8.767 8.456 0.311 18250 2344 1 3 . 1 1 75 75 THR N N 75 120.535 120.535 122.900 -2.365 18250 2345 1 3 . 1 1 75 75 THR HA H 75 4.325 4.325 4.694 -0.369 18250 2346 1 3 . 1 1 75 75 THR H H 75 7.953 7.953 7.969 -0.016 18250 2347 1 3 . 1 1 77 77 GLY CA C 77 44.791 44.791 44.975 -0.184 18250 2348 1 3 . 1 1 78 78 THR N N 78 130.040 130.040 113.929 16.111 18250 2349 1 3 . 1 1 78 78 THR HA H 78 4.147 4.147 4.370 -0.223 18250 2350 1 3 . 1 1 78 78 THR H H 78 8.795 8.795 7.869 0.926 18250 2351 1 3 . 1 1 79 79 ALA HA H 79 4.827 4.827 4.460 0.367 18250 2352 1 3 . 1 1 79 79 ALA C C 79 177.644 177.644 176.479 1.165 18250 2353 1 3 . 1 1 79 79 ALA CA C 79 51.117 51.117 50.959 0.158 18250 2354 1 3 . 1 1 79 79 ALA CB C 79 21.518 21.518 21.178 0.340 18250 2355 1 3 . 1 1 80 80 TYR N N 80 121.374 121.374 120.662 0.712 18250 2356 1 3 . 1 1 80 80 TYR HA H 80 4.648 4.648 3.454 1.194 18250 2357 1 3 . 1 1 80 80 TYR C C 80 176.560 176.560 176.658 -0.098 18250 2358 1 3 . 1 1 80 80 TYR CA C 80 60.846 60.846 61.146 -0.300 18250 2359 1 3 . 1 1 80 80 TYR CB C 80 38.165 38.165 38.271 -0.106 18250 2360 1 3 . 1 1 80 80 TYR H H 80 8.858 8.858 8.381 0.477 18250 2361 1 3 . 1 1 81 81 GLN N N 81 115.124 115.124 118.334 -3.210 18250 2362 1 3 . 1 1 81 81 GLN HA H 81 3.802 3.802 3.769 0.033 18250 2363 1 3 . 1 1 81 81 GLN C C 81 178.330 178.330 178.032 0.298 18250 2364 1 3 . 1 1 81 81 GLN CA C 81 59.911 59.911 59.080 0.831 18250 2365 1 3 . 1 1 81 81 GLN CB C 81 28.016 28.016 27.692 0.324 18250 2366 1 3 . 1 1 81 81 GLN H H 81 8.532 8.532 8.680 -0.148 18250 2367 1 3 . 1 1 82 82 SER N N 82 114.423 114.423 115.673 -1.250 18250 2368 1 3 . 1 1 82 82 SER HA H 82 4.253 4.253 4.099 0.154 18250 2369 1 3 . 1 1 82 82 SER CA C 82 62.089 62.089 61.167 0.922 18250 2370 1 3 . 1 1 82 82 SER CB C 82 63.338 63.338 62.691 0.646 18250 2371 1 3 . 1 1 82 82 SER H H 82 7.356 7.356 7.393 -0.037 18250 2372 1 3 . 1 1 83 83 PHE HA H 83 3.937 3.937 4.007 -0.070 18250 2373 1 3 . 1 1 83 83 PHE C C 83 175.136 175.136 176.622 -1.486 18250 2374 1 3 . 1 1 83 83 PHE CA C 83 61.335 61.335 60.792 0.543 18250 2375 1 3 . 1 1 83 83 PHE CB C 83 39.433 39.433 39.141 0.292 18250 2376 1 3 . 1 1 84 84 GLU N N 84 119.917 119.917 118.798 1.119 18250 2377 1 3 . 1 1 84 84 GLU HA H 84 3.331 3.331 3.416 -0.085 18250 2378 1 3 . 1 1 84 84 GLU C C 84 177.012 177.012 178.539 -1.527 18250 2379 1 3 . 1 1 84 84 GLU CA C 84 59.146 59.146 59.394 -0.248 18250 2380 1 3 . 1 1 84 84 GLU CB C 84 30.460 30.460 28.907 1.553 18250 2381 1 3 . 1 1 84 84 GLU H H 84 8.659 8.659 8.433 0.226 18250 2382 1 3 . 1 1 85 85 GLN N N 85 115.027 115.027 116.897 -1.870 18250 2383 1 3 . 1 1 85 85 GLN HA H 85 3.888 3.888 3.930 -0.042 18250 2384 1 3 . 1 1 85 85 GLN C C 85 178.571 178.571 177.796 0.775 18250 2385 1 3 . 1 1 85 85 GLN CA C 85 59.103 59.103 58.236 0.867 18250 2386 1 3 . 1 1 85 85 GLN CB C 85 28.586 28.586 28.529 0.057 18250 2387 1 3 . 1 1 85 85 GLN H H 85 7.592 7.592 7.498 0.094 18250 2388 1 3 . 1 1 86 86 VAL N N 86 118.481 118.481 116.556 1.925 18250 2389 1 3 . 1 1 86 86 VAL HA H 86 3.644 3.644 3.755 -0.111 18250 2390 1 3 . 1 1 86 86 VAL C C 86 177.898 177.898 178.103 -0.205 18250 2391 1 3 . 1 1 86 86 VAL CA C 86 66.100 66.100 64.822 1.278 18250 2392 1 3 . 1 1 86 86 VAL CB C 86 31.799 31.799 32.351 -0.552 18250 2393 1 3 . 1 1 86 86 VAL H H 86 7.164 7.164 7.150 0.014 18250 2394 1 3 . 1 1 87 87 VAL N N 87 119.825 119.825 117.274 2.551 18250 2395 1 3 . 1 1 87 87 VAL HA H 87 3.028 3.028 3.549 -0.521 18250 2396 1 3 . 1 1 87 87 VAL C C 87 177.853 177.853 177.656 0.197 18250 2397 1 3 . 1 1 87 87 VAL CA C 87 66.394 66.394 65.155 1.239 18250 2398 1 3 . 1 1 87 87 VAL CB C 87 31.044 31.044 30.719 0.325 18250 2399 1 3 . 1 1 87 87 VAL H H 87 7.980 7.980 7.543 0.437 18250 2400 1 3 . 1 1 88 88 ASN N N 88 117.625 117.625 120.314 -2.689 18250 2401 1 3 . 1 1 88 88 ASN HA H 88 4.283 4.283 4.613 -0.330 18250 2402 1 3 . 1 1 88 88 ASN C C 88 178.987 178.987 176.702 2.285 18250 2403 1 3 . 1 1 88 88 ASN CA C 88 55.449 55.449 55.429 0.020 18250 2404 1 3 . 1 1 88 88 ASN CB C 88 37.329 37.329 38.373 -1.044 18250 2405 1 3 . 1 1 88 88 ASN H H 88 8.437 8.437 8.556 -0.119 18250 2406 1 3 . 1 1 89 89 GLU N N 89 118.940 118.940 119.311 -0.371 18250 2407 1 3 . 1 1 89 89 GLU HA H 89 4.001 4.001 4.109 -0.108 18250 2408 1 3 . 1 1 89 89 GLU C C 89 179.305 179.305 178.274 1.031 18250 2409 1 3 . 1 1 89 89 GLU CA C 89 59.016 59.016 58.331 0.685 18250 2410 1 3 . 1 1 89 89 GLU CB C 89 29.120 29.120 29.390 -0.270 18250 2411 1 3 . 1 1 89 89 GLU H H 89 7.377 7.377 7.677 -0.300 18250 2412 1 3 . 1 1 90 90 LEU N N 90 120.797 120.797 119.635 1.162 18250 2413 1 3 . 1 1 90 90 LEU HA H 90 3.821 3.821 4.042 -0.221 18250 2414 1 3 . 1 1 90 90 LEU C C 90 178.249 178.249 178.394 -0.145 18250 2415 1 3 . 1 1 90 90 LEU CA C 90 57.491 57.491 57.327 0.164 18250 2416 1 3 . 1 1 90 90 LEU CB C 90 41.502 41.502 42.036 -0.534 18250 2417 1 3 . 1 1 90 90 LEU H H 90 7.608 7.608 7.537 0.071 18250 2418 1 3 . 1 1 91 91 PHE N N 91 113.366 113.366 119.563 -6.197 18250 2419 1 3 . 1 1 91 91 PHE HA H 91 4.532 4.532 4.034 0.498 18250 2420 1 3 . 1 1 91 91 PHE C C 91 176.475 176.475 177.894 -1.419 18250 2421 1 3 . 1 1 91 91 PHE CA C 91 57.504 57.504 61.539 -4.035 18250 2422 1 3 . 1 1 91 91 PHE CB C 91 39.470 39.470 39.344 0.126 18250 2423 1 3 . 1 1 91 91 PHE H H 91 7.024 7.024 7.506 -0.482 18250 2424 1 3 . 1 1 92 92 ARG N N 92 123.994 123.994 118.981 5.013 18250 2425 1 3 . 1 1 92 92 ARG HA H 92 3.965 3.965 4.144 -0.179 18250 2426 1 3 . 1 1 92 92 ARG C C 92 177.152 177.152 176.731 0.421 18250 2427 1 3 . 1 1 92 92 ARG CA C 92 59.743 59.743 58.781 0.962 18250 2428 1 3 . 1 1 92 92 ARG CB C 92 30.171 30.171 29.887 0.284 18250 2429 1 3 . 1 1 92 92 ARG H H 92 7.237 7.237 8.524 -1.287 18250 2430 1 3 . 1 1 93 93 ASP N N 93 116.866 116.866 117.323 -0.457 18250 2431 1 3 . 1 1 93 93 ASP HA H 93 4.823 4.823 4.602 0.221 18250 2432 1 3 . 1 1 93 93 ASP C C 93 175.589 175.589 176.100 -0.511 18250 2433 1 3 . 1 1 93 93 ASP CA C 93 54.068 54.068 53.512 0.556 18250 2434 1 3 . 1 1 93 93 ASP CB C 93 40.755 40.755 40.738 0.017 18250 2435 1 3 . 1 1 93 93 ASP H H 93 8.711 8.711 7.567 1.144 18250 2436 1 3 . 1 1 94 94 GLY N N 94 108.978 108.978 107.142 1.836 18250 2437 1 3 . 1 1 94 94 GLY C C 94 172.635 172.635 174.645 -2.010 18250 2438 1 3 . 1 1 94 94 GLY CA C 94 43.818 43.818 44.478 -0.660 18250 2439 1 3 . 1 1 94 94 GLY H H 94 7.582 7.582 7.393 0.189 18250 2440 1 3 . 1 1 95 95 VAL N N 95 120.777 120.777 118.338 2.439 18250 2441 1 3 . 1 1 95 95 VAL HA H 95 3.545 3.545 3.317 0.228 18250 2442 1 3 . 1 1 95 95 VAL C C 95 174.452 174.452 174.533 -0.081 18250 2443 1 3 . 1 1 95 95 VAL CA C 95 62.875 62.875 63.135 -0.260 18250 2444 1 3 . 1 1 95 95 VAL CB C 95 32.148 32.148 31.293 0.855 18250 2445 1 3 . 1 1 95 95 VAL H H 95 8.293 8.293 7.206 1.087 18250 2446 1 3 . 1 1 96 96 ASN N N 96 116.198 116.198 125.296 -9.098 18250 2447 1 3 . 1 1 96 96 ASN HA H 96 4.070 4.070 4.272 -0.202 18250 2448 1 3 . 1 1 96 96 ASN C C 96 175.243 175.243 175.386 -0.143 18250 2449 1 3 . 1 1 96 96 ASN CA C 96 51.784 51.784 51.373 0.411 18250 2450 1 3 . 1 1 96 96 ASN CB C 96 39.849 39.849 39.516 0.333 18250 2451 1 3 . 1 1 96 96 ASN H H 96 6.401 6.401 7.802 -1.401 18250 2452 1 3 . 1 1 97 97 TRP N N 97 118.776 118.776 119.552 -0.776 18250 2453 1 3 . 1 1 97 97 TRP HA H 97 4.588 4.588 4.602 -0.014 18250 2454 1 3 . 1 1 97 97 TRP C C 97 178.207 178.207 178.629 -0.422 18250 2455 1 3 . 1 1 97 97 TRP CA C 97 61.083 61.083 59.863 1.220 18250 2456 1 3 . 1 1 97 97 TRP CB C 97 30.676 30.676 29.615 1.061 18250 2457 1 3 . 1 1 97 97 TRP H H 97 8.530 8.530 8.767 -0.237 18250 2458 1 3 . 1 1 98 98 GLY N N 98 106.573 106.573 107.833 -1.260 18250 2459 1 3 . 1 1 98 98 GLY C C 98 177.485 177.485 176.114 1.371 18250 2460 1 3 . 1 1 98 98 GLY CA C 98 47.505 47.505 46.742 0.763 18250 2461 1 3 . 1 1 98 98 GLY H H 98 8.634 8.634 8.702 -0.068 18250 2462 1 3 . 1 1 99 99 ARG N N 99 121.627 121.627 122.615 -0.988 18250 2463 1 3 . 1 1 99 99 ARG HA H 99 3.999 3.999 4.083 -0.084 18250 2464 1 3 . 1 1 99 99 ARG C C 99 177.693 177.693 178.577 -0.884 18250 2465 1 3 . 1 1 99 99 ARG CA C 99 58.487 58.487 57.494 0.993 18250 2466 1 3 . 1 1 99 99 ARG CB C 99 31.363 31.363 29.539 1.824 18250 2467 1 3 . 1 1 99 99 ARG H H 99 8.214 8.214 8.039 0.175 18250 2468 1 3 . 1 1 100 100 ILE N N 100 121.379 121.379 120.579 0.800 18250 2469 1 3 . 1 1 100 100 ILE HA H 100 3.986 3.986 3.822 0.164 18250 2470 1 3 . 1 1 100 100 ILE C C 100 178.143 178.143 177.559 0.584 18250 2471 1 3 . 1 1 100 100 ILE CA C 100 67.148 67.148 65.362 1.786 18250 2472 1 3 . 1 1 100 100 ILE CB C 100 37.099 37.099 37.641 -0.542 18250 2473 1 3 . 1 1 100 100 ILE H H 100 7.810 7.810 7.226 0.584 18250 2474 1 3 . 1 1 101 101 VAL N N 101 121.444 121.444 120.003 1.441 18250 2475 1 3 . 1 1 101 101 VAL HA H 101 3.458 3.458 3.337 0.121 18250 2476 1 3 . 1 1 101 101 VAL C C 101 177.752 177.752 177.682 0.070 18250 2477 1 3 . 1 1 101 101 VAL CA C 101 68.165 68.165 67.055 1.110 18250 2478 1 3 . 1 1 101 101 VAL CB C 101 31.423 31.423 30.834 0.589 18250 2479 1 3 . 1 1 101 101 VAL H H 101 8.378 8.378 7.447 0.931 18250 2480 1 3 . 1 1 102 102 ALA N N 102 121.864 121.864 122.341 -0.477 18250 2481 1 3 . 1 1 102 102 ALA HA H 102 3.174 3.174 2.632 0.542 18250 2482 1 3 . 1 1 102 102 ALA C C 102 178.223 178.223 178.179 0.044 18250 2483 1 3 . 1 1 102 102 ALA CA C 102 55.256 55.256 54.375 0.881 18250 2484 1 3 . 1 1 102 102 ALA CB C 102 18.631 18.631 17.443 1.188 18250 2485 1 3 . 1 1 102 102 ALA H H 102 7.693 7.693 7.842 -0.149 18250 2486 1 3 . 1 1 103 103 PHE N N 103 119.560 119.560 119.240 0.320 18250 2487 1 3 . 1 1 103 103 PHE HA H 103 3.986 3.986 4.045 -0.059 18250 2488 1 3 . 1 1 103 103 PHE C C 103 176.264 176.264 177.347 -1.083 18250 2489 1 3 . 1 1 103 103 PHE CA C 103 60.811 60.811 61.336 -0.525 18250 2490 1 3 . 1 1 103 103 PHE CB C 103 38.585 38.585 39.132 -0.547 18250 2491 1 3 . 1 1 103 103 PHE H H 103 8.096 8.096 7.870 0.226 18250 2492 1 3 . 1 1 104 104 PHE N N 104 120.694 120.694 116.903 3.791 18250 2493 1 3 . 1 1 104 104 PHE HA H 104 3.347 3.347 4.096 -0.749 18250 2494 1 3 . 1 1 104 104 PHE C C 104 177.604 177.604 177.856 -0.252 18250 2495 1 3 . 1 1 104 104 PHE CA C 104 62.995 62.995 60.583 2.412 18250 2496 1 3 . 1 1 104 104 PHE CB C 104 36.626 36.626 38.375 -1.749 18250 2497 1 3 . 1 1 104 104 PHE H H 104 8.087 8.087 8.315 -0.228 18250 2498 1 3 . 1 1 105 105 SER N N 105 114.775 114.775 116.126 -1.351 18250 2499 1 3 . 1 1 105 105 SER HA H 105 4.444 4.444 4.551 -0.107 18250 2500 1 3 . 1 1 105 105 SER C C 105 177.605 177.605 176.735 0.870 18250 2501 1 3 . 1 1 105 105 SER CA C 105 63.767 63.767 62.281 1.486 18250 2502 1 3 . 1 1 105 105 SER CB C 105 63.409 63.409 63.041 0.367 18250 2503 1 3 . 1 1 105 105 SER H H 105 8.514 8.514 8.302 0.212 18250 2504 1 3 . 1 1 106 106 PHE N N 106 124.632 124.632 121.573 3.059 18250 2505 1 3 . 1 1 106 106 PHE HA H 106 4.071 4.071 4.381 -0.310 18250 2506 1 3 . 1 1 106 106 PHE C C 106 176.639 176.639 178.327 -1.688 18250 2507 1 3 . 1 1 106 106 PHE CA C 106 60.185 60.185 59.816 0.369 18250 2508 1 3 . 1 1 106 106 PHE CB C 106 38.639 38.639 37.897 0.742 18250 2509 1 3 . 1 1 106 106 PHE H H 106 9.146 9.146 8.224 0.922 18250 2510 1 3 . 1 1 107 107 GLY N N 107 106.495 106.495 106.641 -0.146 18250 2511 1 3 . 1 1 107 107 GLY C C 107 176.647 176.647 176.745 -0.098 18250 2512 1 3 . 1 1 107 107 GLY CA C 107 47.998 47.998 47.044 0.954 18250 2513 1 3 . 1 1 107 107 GLY H H 107 8.063 8.063 7.926 0.137 18250 2514 1 3 . 1 1 108 108 GLY N N 108 107.786 107.786 109.132 -1.346 18250 2515 1 3 . 1 1 108 108 GLY C C 108 174.589 174.589 174.827 -0.238 18250 2516 1 3 . 1 1 108 108 GLY CA C 108 47.931 47.931 46.350 1.581 18250 2517 1 3 . 1 1 108 108 GLY H H 108 8.900 8.900 7.957 0.943 18250 2518 1 3 . 1 1 109 109 ALA N N 109 124.959 124.959 123.719 1.240 18250 2519 1 3 . 1 1 109 109 ALA HA H 109 4.216 4.216 4.445 -0.229 18250 2520 1 3 . 1 1 109 109 ALA C C 109 181.113 181.113 178.970 2.143 18250 2521 1 3 . 1 1 109 109 ALA CA C 109 55.098 55.098 54.148 0.950 18250 2522 1 3 . 1 1 109 109 ALA CB C 109 18.418 18.418 19.596 -1.178 18250 2523 1 3 . 1 1 109 109 ALA H H 109 8.343 8.343 7.759 0.584 18250 2524 1 3 . 1 1 110 110 LEU N N 110 119.336 119.336 119.959 -0.623 18250 2525 1 3 . 1 1 110 110 LEU HA H 110 4.017 4.017 4.051 -0.034 18250 2526 1 3 . 1 1 110 110 LEU C C 110 180.100 180.100 179.012 1.088 18250 2527 1 3 . 1 1 110 110 LEU CA C 110 57.400 57.400 58.359 -0.959 18250 2528 1 3 . 1 1 110 110 LEU CB C 110 42.562 42.562 41.768 0.794 18250 2529 1 3 . 1 1 110 110 LEU H H 110 8.296 8.296 8.588 -0.292 18250 2530 1 3 . 1 1 111 111 CYS N N 111 119.466 119.466 116.606 2.860 18250 2531 1 3 . 1 1 111 111 CYS HA H 111 3.818 3.818 4.027 -0.209 18250 2532 1 3 . 1 1 111 111 CYS C C 111 175.954 175.954 176.804 -0.850 18250 2533 1 3 . 1 1 111 111 CYS CA C 111 64.665 64.665 62.533 2.132 18250 2534 1 3 . 1 1 111 111 CYS CB C 111 26.724 26.724 26.256 0.468 18250 2535 1 3 . 1 1 111 111 CYS H H 111 8.207 8.207 8.693 -0.486 18250 2536 1 3 . 1 1 112 112 VAL N N 112 119.086 119.086 122.773 -3.687 18250 2537 1 3 . 1 1 112 112 VAL HA H 112 3.379 3.379 3.741 -0.362 18250 2538 1 3 . 1 1 112 112 VAL C C 112 177.356 177.356 177.844 -0.488 18250 2539 1 3 . 1 1 112 112 VAL CA C 112 67.316 67.316 67.139 0.177 18250 2540 1 3 . 1 1 112 112 VAL CB C 112 31.944 31.944 31.915 0.030 18250 2541 1 3 . 1 1 112 112 VAL H H 112 8.110 8.110 7.251 0.859 18250 2542 1 3 . 1 1 113 113 GLU N N 113 119.448 119.448 119.621 -0.173 18250 2543 1 3 . 1 1 113 113 GLU HA H 113 4.094 4.094 3.931 0.163 18250 2544 1 3 . 1 1 113 113 GLU C C 113 178.264 178.264 179.108 -0.844 18250 2545 1 3 . 1 1 113 113 GLU CA C 113 59.336 59.336 59.661 -0.326 18250 2546 1 3 . 1 1 113 113 GLU CB C 113 29.326 29.326 28.841 0.485 18250 2547 1 3 . 1 1 113 113 GLU H H 113 8.190 8.190 8.400 -0.210 18250 2548 1 3 . 1 1 114 114 SER N N 114 113.847 113.847 115.834 -1.987 18250 2549 1 3 . 1 1 114 114 SER HA H 114 3.886 3.886 4.122 -0.236 18250 2550 1 3 . 1 1 114 114 SER C C 114 175.485 175.485 176.100 -0.615 18250 2551 1 3 . 1 1 114 114 SER CA C 114 63.249 63.249 62.604 0.645 18250 2552 1 3 . 1 1 114 114 SER CB C 114 62.229 62.229 62.877 -0.648 18250 2553 1 3 . 1 1 114 114 SER H H 114 7.757 7.757 8.003 -0.246 18250 2554 1 3 . 1 1 115 115 VAL N N 115 121.093 121.093 121.568 -0.475 18250 2555 1 3 . 1 1 115 115 VAL HA H 115 3.201 3.201 3.412 -0.211 18250 2556 1 3 . 1 1 115 115 VAL C C 115 179.471 179.471 177.726 1.745 18250 2557 1 3 . 1 1 115 115 VAL CA C 115 66.746 66.746 65.995 0.751 18250 2558 1 3 . 1 1 115 115 VAL CB C 115 31.412 31.412 31.191 0.221 18250 2559 1 3 . 1 1 115 115 VAL H H 115 7.423 7.423 7.254 0.169 18250 2560 1 3 . 1 1 116 116 ASP N N 116 123.023 123.023 120.923 2.100 18250 2561 1 3 . 1 1 116 116 ASP HA H 116 4.398 4.398 4.398 0.000 18250 2562 1 3 . 1 1 116 116 ASP C C 116 178.029 178.029 177.351 0.678 18250 2563 1 3 . 1 1 116 116 ASP CA C 116 57.471 57.471 56.580 0.891 18250 2564 1 3 . 1 1 116 116 ASP CB C 116 41.004 41.004 41.095 -0.091 18250 2565 1 3 . 1 1 116 116 ASP H H 116 8.365 8.365 8.082 0.283 18250 2566 1 3 . 1 1 117 117 LYS N N 117 116.212 116.212 118.303 -2.091 18250 2567 1 3 . 1 1 117 117 LYS HA H 117 4.384 4.384 4.394 -0.010 18250 2568 1 3 . 1 1 117 117 LYS C C 117 175.049 175.049 175.450 -0.401 18250 2569 1 3 . 1 1 117 117 LYS CA C 117 55.685 55.685 55.260 0.426 18250 2570 1 3 . 1 1 117 117 LYS CB C 117 32.317 32.317 31.866 0.451 18250 2571 1 3 . 1 1 117 117 LYS H H 117 7.698 7.698 7.392 0.306 18250 2572 1 3 . 1 1 118 118 GLU N N 118 114.271 114.271 114.406 -0.135 18250 2573 1 3 . 1 1 118 118 GLU HA H 118 3.973 3.973 3.859 0.114 18250 2574 1 3 . 1 1 118 118 GLU C C 118 176.065 176.065 175.666 0.399 18250 2575 1 3 . 1 1 118 118 GLU CA C 118 57.766 57.766 57.912 -0.146 18250 2576 1 3 . 1 1 118 118 GLU CB C 118 26.540 26.540 26.815 -0.275 18250 2577 1 3 . 1 1 118 118 GLU H H 118 7.959 7.959 8.042 -0.083 18250 2578 1 3 . 1 1 119 119 MET N N 119 119.260 119.260 118.386 0.874 18250 2579 1 3 . 1 1 119 119 MET HA H 119 4.822 4.822 4.651 0.171 18250 2580 1 3 . 1 1 119 119 MET C C 119 176.817 176.817 175.511 1.306 18250 2581 1 3 . 1 1 119 119 MET CA C 119 53.675 53.675 54.129 -0.454 18250 2582 1 3 . 1 1 119 119 MET CB C 119 31.867 31.867 31.224 0.644 18250 2583 1 3 . 1 1 119 119 MET H H 119 8.542 8.542 8.513 0.029 18250 2584 1 3 . 1 1 120 120 GLN N N 120 119.766 119.766 120.489 -0.723 18250 2585 1 3 . 1 1 120 120 GLN HA H 120 3.489 3.489 3.831 -0.342 18250 2586 1 3 . 1 1 120 120 GLN C C 120 177.471 177.471 177.436 0.035 18250 2587 1 3 . 1 1 120 120 GLN CA C 120 60.166 60.166 58.526 1.640 18250 2588 1 3 . 1 1 120 120 GLN CB C 120 27.667 27.667 28.816 -1.149 18250 2589 1 3 . 1 1 120 120 GLN H H 120 8.796 8.796 8.278 0.518 18250 2590 1 3 . 1 1 121 121 VAL N N 121 117.292 117.292 118.437 -1.145 18250 2591 1 3 . 1 1 121 121 VAL HA H 121 4.056 4.056 3.814 0.242 18250 2592 1 3 . 1 1 121 121 VAL C C 121 175.676 175.676 176.396 -0.720 18250 2593 1 3 . 1 1 121 121 VAL CA C 121 63.612 63.612 63.750 -0.138 18250 2594 1 3 . 1 1 121 121 VAL CB C 121 31.494 31.494 31.734 -0.240 18250 2595 1 3 . 1 1 121 121 VAL H H 121 7.959 7.959 7.943 0.016 18250 2596 1 3 . 1 1 122 122 LEU N N 122 117.436 117.436 120.632 -3.196 18250 2597 1 3 . 1 1 122 122 LEU HA H 122 3.872 3.872 3.888 -0.016 18250 2598 1 3 . 1 1 122 122 LEU C C 122 177.962 177.962 178.338 -0.376 18250 2599 1 3 . 1 1 122 122 LEU CA C 122 55.528 55.528 57.714 -2.186 18250 2600 1 3 . 1 1 122 122 LEU CB C 122 41.369 41.369 41.469 -0.100 18250 2601 1 3 . 1 1 122 122 LEU H H 122 7.887 7.887 7.383 0.504 18250 2602 1 3 . 1 1 123 123 VAL N N 123 120.028 120.028 118.785 1.243 18250 2603 1 3 . 1 1 123 123 VAL HA H 123 3.379 3.379 3.536 -0.157 18250 2604 1 3 . 1 1 123 123 VAL C C 123 177.040 177.040 177.105 -0.065 18250 2605 1 3 . 1 1 123 123 VAL CA C 123 67.817 67.817 65.755 2.062 18250 2606 1 3 . 1 1 123 123 VAL CB C 123 30.889 30.889 31.395 -0.506 18250 2607 1 3 . 1 1 123 123 VAL H H 123 7.444 7.444 7.505 -0.061 18250 2608 1 3 . 1 1 124 124 SER N N 124 111.168 111.168 114.331 -3.163 18250 2609 1 3 . 1 1 124 124 SER HA H 124 3.979 3.979 4.246 -0.267 18250 2610 1 3 . 1 1 124 124 SER C C 124 177.070 177.070 176.488 0.582 18250 2611 1 3 . 1 1 124 124 SER CA C 124 61.254 61.254 61.021 0.233 18250 2612 1 3 . 1 1 124 124 SER CB C 124 62.403 62.403 62.776 -0.373 18250 2613 1 3 . 1 1 124 124 SER H H 124 8.394 8.394 7.581 0.813 18250 2614 1 3 . 1 1 125 125 ARG N N 125 123.526 123.526 120.837 2.689 18250 2615 1 3 . 1 1 125 125 ARG HA H 125 3.710 3.710 3.759 -0.049 18250 2616 1 3 . 1 1 125 125 ARG C C 125 175.751 175.751 177.700 -1.949 18250 2617 1 3 . 1 1 125 125 ARG CA C 125 58.738 58.738 58.010 0.728 18250 2618 1 3 . 1 1 125 125 ARG CB C 125 29.845 29.845 29.555 0.290 18250 2619 1 3 . 1 1 125 125 ARG H H 125 6.696 6.696 6.921 -0.225 18250 2620 1 3 . 1 1 126 126 ILE N N 126 118.795 118.795 120.840 -2.045 18250 2621 1 3 . 1 1 126 126 ILE HA H 126 2.855 2.855 3.232 -0.377 18250 2622 1 3 . 1 1 126 126 ILE C C 126 177.974 177.974 177.135 0.839 18250 2623 1 3 . 1 1 126 126 ILE CA C 126 64.959 64.959 65.269 -0.310 18250 2624 1 3 . 1 1 126 126 ILE CB C 126 37.666 37.666 37.427 0.239 18250 2625 1 3 . 1 1 126 126 ILE H H 126 8.124 8.124 8.088 0.036 18250 2626 1 3 . 1 1 127 127 ALA N N 127 119.674 119.674 120.867 -1.193 18250 2627 1 3 . 1 1 127 127 ALA HA H 127 3.902 3.902 3.881 0.021 18250 2628 1 3 . 1 1 127 127 ALA C C 127 179.395 179.395 179.101 0.294 18250 2629 1 3 . 1 1 127 127 ALA CA C 127 55.287 55.287 55.052 0.235 18250 2630 1 3 . 1 1 127 127 ALA CB C 127 18.520 18.520 17.975 0.545 18250 2631 1 3 . 1 1 127 127 ALA H H 127 7.711 7.711 7.544 0.167 18250 2632 1 3 . 1 1 128 128 ALA N N 128 120.850 120.850 121.634 -0.784 18250 2633 1 3 . 1 1 128 128 ALA HA H 128 4.173 4.173 3.984 0.189 18250 2634 1 3 . 1 1 128 128 ALA C C 128 181.038 181.038 179.513 1.525 18250 2635 1 3 . 1 1 128 128 ALA CA C 128 55.261 55.261 54.900 0.361 18250 2636 1 3 . 1 1 128 128 ALA CB C 128 17.822 17.822 18.499 -0.677 18250 2637 1 3 . 1 1 128 128 ALA H H 128 7.356 7.356 7.294 0.062 18250 2638 1 3 . 1 1 129 129 TRP N N 129 121.648 121.648 119.488 2.160 18250 2639 1 3 . 1 1 129 129 TRP C C 129 179.558 179.558 179.030 0.528 18250 2640 1 3 . 1 1 129 129 TRP CA C 129 57.788 57.788 58.993 -1.205 18250 2641 1 3 . 1 1 129 129 TRP CB C 129 28.918 28.918 28.387 0.531 18250 2642 1 3 . 1 1 129 129 TRP H H 129 9.087 9.087 8.335 0.752 18250 2643 1 3 . 1 1 130 130 MET N N 130 117.535 117.535 118.324 -0.789 18250 2644 1 3 . 1 1 130 130 MET HA H 130 4.345 4.345 4.650 -0.305 18250 2645 1 3 . 1 1 130 130 MET C C 130 178.170 178.170 178.735 -0.565 18250 2646 1 3 . 1 1 130 130 MET CA C 130 60.179 60.179 59.826 0.353 18250 2647 1 3 . 1 1 130 130 MET CB C 130 34.928 34.928 32.179 2.749 18250 2648 1 3 . 1 1 130 130 MET H H 130 9.031 9.031 8.787 0.244 18250 2649 1 3 . 1 1 131 131 ALA N N 131 120.973 120.973 121.735 -0.762 18250 2650 1 3 . 1 1 131 131 ALA HA H 131 4.100 4.100 4.217 -0.117 18250 2651 1 3 . 1 1 131 131 ALA C C 131 176.249 176.249 179.609 -3.360 18250 2652 1 3 . 1 1 131 131 ALA CA C 131 56.176 56.176 55.201 0.975 18250 2653 1 3 . 1 1 131 131 ALA CB C 131 17.634 17.634 18.167 -0.533 18250 2654 1 3 . 1 1 131 131 ALA H H 131 8.274 8.274 8.133 0.141 18250 2655 1 3 . 1 1 132 132 THR N N 132 117.211 117.211 117.457 -0.246 18250 2656 1 3 . 1 1 132 132 THR HA H 132 3.959 3.959 3.983 -0.024 18250 2657 1 3 . 1 1 132 132 THR C C 132 175.035 175.035 176.207 -1.172 18250 2658 1 3 . 1 1 132 132 THR CA C 132 67.312 67.312 67.650 -0.338 18250 2659 1 3 . 1 1 132 132 THR CB C 132 69.177 69.177 68.558 0.619 18250 2660 1 3 . 1 1 132 132 THR H H 132 8.648 8.648 8.253 0.395 18250 2661 1 3 . 1 1 133 133 TYR N N 133 123.705 123.705 124.185 -0.480 18250 2662 1 3 . 1 1 133 133 TYR HA H 133 4.018 4.018 4.480 -0.462 18250 2663 1 3 . 1 1 133 133 TYR C C 133 179.551 179.551 177.813 1.738 18250 2664 1 3 . 1 1 133 133 TYR CA C 133 63.577 63.577 61.741 1.836 18250 2665 1 3 . 1 1 133 133 TYR CB C 133 39.312 39.312 38.742 0.570 18250 2666 1 3 . 1 1 133 133 TYR H H 133 8.964 8.964 8.883 0.081 18250 2667 1 3 . 1 1 134 134 LEU N N 134 119.671 119.671 120.471 -0.800 18250 2668 1 3 . 1 1 134 134 LEU HA H 134 3.832 3.832 3.935 -0.103 18250 2669 1 3 . 1 1 134 134 LEU C C 134 178.321 178.321 178.389 -0.068 18250 2670 1 3 . 1 1 134 134 LEU CA C 134 59.586 59.586 58.282 1.304 18250 2671 1 3 . 1 1 134 134 LEU CB C 134 42.898 42.898 41.952 0.946 18250 2672 1 3 . 1 1 134 134 LEU H H 134 8.853 8.853 8.751 0.102 18250 2673 1 3 . 1 1 135 135 ASN N N 135 117.661 117.661 116.370 1.291 18250 2674 1 3 . 1 1 135 135 ASN HA H 135 4.353 4.353 4.538 -0.185 18250 2675 1 3 . 1 1 135 135 ASN C C 135 176.407 176.407 176.986 -0.579 18250 2676 1 3 . 1 1 135 135 ASN CA C 135 56.883 56.883 56.169 0.714 18250 2677 1 3 . 1 1 135 135 ASN CB C 135 39.219 39.219 38.630 0.589 18250 2678 1 3 . 1 1 135 135 ASN H H 135 8.455 8.455 8.434 0.021 18250 2679 1 3 . 1 1 136 136 ASP N N 136 115.939 115.939 118.343 -2.404 18250 2680 1 3 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.602 -0.267 18250 2681 1 3 . 1 1 136 136 ASP C C 136 177.798 177.798 177.922 -0.124 18250 2682 1 3 . 1 1 136 136 ASP CA C 136 56.501 56.501 56.647 -0.146 18250 2683 1 3 . 1 1 136 136 ASP CB C 136 40.861 40.861 41.403 -0.542 18250 2684 1 3 . 1 1 136 136 ASP H H 136 8.580 8.580 8.406 0.174 18250 2685 1 3 . 1 1 137 137 HIS N N 137 112.071 112.071 117.451 -5.380 18250 2686 1 3 . 1 1 137 137 HIS HA H 137 4.552 4.552 4.265 0.287 18250 2687 1 3 . 1 1 137 137 HIS C C 137 175.780 175.780 176.557 -0.777 18250 2688 1 3 . 1 1 137 137 HIS CA C 137 56.529 56.529 58.357 -1.828 18250 2689 1 3 . 1 1 137 137 HIS CB C 137 30.890 30.890 30.505 0.385 18250 2690 1 3 . 1 1 137 137 HIS H H 137 8.202 8.202 7.871 0.331 18250 2691 1 3 . 1 1 138 138 LEU N N 138 117.363 117.363 120.576 -3.213 18250 2692 1 3 . 1 1 138 138 LEU HA H 138 4.550 4.550 4.301 0.249 18250 2693 1 3 . 1 1 138 138 LEU C C 138 176.369 176.369 177.868 -1.499 18250 2694 1 3 . 1 1 138 138 LEU CA C 138 55.696 55.696 56.759 -1.063 18250 2695 1 3 . 1 1 138 138 LEU CB C 138 43.465 43.465 42.251 1.214 18250 2696 1 3 . 1 1 138 138 LEU H H 138 7.306 7.306 7.996 -0.690 18250 2697 1 3 . 1 1 139 139 GLU N N 139 121.917 121.917 120.208 1.709 18250 2698 1 3 . 1 1 139 139 GLU HA H 139 4.351 4.351 3.879 0.472 18250 2699 1 3 . 1 1 139 139 GLU C C 139 173.816 173.816 175.963 -2.147 18250 2700 1 3 . 1 1 139 139 GLU CA C 139 60.529 60.529 61.869 -1.340 18250 2701 1 3 . 1 1 139 139 GLU CB C 139 27.774 27.774 28.004 -0.230 18250 2702 1 3 . 1 1 139 139 GLU H H 139 8.706 8.706 8.797 -0.091 18250 2703 1 3 . 1 1 140 140 PRO HA H 140 4.234 4.234 4.168 0.066 18250 2704 1 3 . 1 1 140 140 PRO C C 140 179.159 179.159 178.598 0.561 18250 2705 1 3 . 1 1 140 140 PRO CA C 140 66.582 66.582 65.731 0.851 18250 2706 1 3 . 1 1 140 140 PRO CB C 140 30.747 30.747 31.396 -0.649 18250 2707 1 3 . 1 1 141 141 TRP N N 141 118.367 118.367 119.389 -1.022 18250 2708 1 3 . 1 1 141 141 TRP HA H 141 3.855 3.855 4.392 -0.537 18250 2709 1 3 . 1 1 141 141 TRP C C 141 179.411 179.411 177.771 1.640 18250 2710 1 3 . 1 1 141 141 TRP CA C 141 62.205 62.205 60.969 1.236 18250 2711 1 3 . 1 1 141 141 TRP CB C 141 28.928 28.928 29.980 -1.052 18250 2712 1 3 . 1 1 141 141 TRP H H 141 7.195 7.195 7.644 -0.449 18250 2713 1 3 . 1 1 142 142 ILE N N 142 122.553 122.553 120.129 2.424 18250 2714 1 3 . 1 1 142 142 ILE HA H 142 2.891 2.891 3.313 -0.422 18250 2715 1 3 . 1 1 142 142 ILE C C 142 178.924 178.924 178.114 0.810 18250 2716 1 3 . 1 1 142 142 ILE CA C 142 66.241 66.241 65.338 0.903 18250 2717 1 3 . 1 1 142 142 ILE CB C 142 38.314 38.314 37.571 0.743 18250 2718 1 3 . 1 1 142 142 ILE H H 142 8.511 8.511 7.874 0.637 18250 2719 1 3 . 1 1 143 143 GLN N N 143 116.777 116.777 117.847 -1.070 18250 2720 1 3 . 1 1 143 143 GLN HA H 143 3.920 3.920 3.968 -0.048 18250 2721 1 3 . 1 1 143 143 GLN C C 143 179.455 179.455 178.438 1.017 18250 2722 1 3 . 1 1 143 143 GLN CA C 143 58.567 58.567 58.520 0.047 18250 2723 1 3 . 1 1 143 143 GLN CB C 143 28.068 28.068 28.021 0.047 18250 2724 1 3 . 1 1 143 143 GLN H H 143 8.514 8.514 8.429 0.085 18250 2725 1 3 . 1 1 144 144 GLU N N 144 119.467 119.467 118.673 0.794 18250 2726 1 3 . 1 1 144 144 GLU HA H 144 4.084 4.084 4.028 0.056 18250 2727 1 3 . 1 1 144 144 GLU C C 144 176.785 176.785 177.668 -0.883 18250 2728 1 3 . 1 1 144 144 GLU CA C 144 57.902 57.902 58.357 -0.455 18250 2729 1 3 . 1 1 144 144 GLU CB C 144 29.915 29.915 29.351 0.564 18250 2730 1 3 . 1 1 144 144 GLU H H 144 7.646 7.646 7.754 -0.108 18250 2731 1 3 . 1 1 145 145 ASN N N 145 116.904 116.904 115.485 1.419 18250 2732 1 3 . 1 1 145 145 ASN HA H 145 4.454 4.454 4.512 -0.058 18250 2733 1 3 . 1 1 145 145 ASN C C 145 173.890 173.890 175.292 -1.402 18250 2734 1 3 . 1 1 145 145 ASN CA C 145 53.652 53.652 53.288 0.364 18250 2735 1 3 . 1 1 145 145 ASN CB C 145 38.204 38.204 39.362 -1.158 18250 2736 1 3 . 1 1 145 145 ASN H H 145 7.195 7.195 7.446 -0.251 18250 2737 1 3 . 1 1 146 146 GLY N N 146 105.175 105.175 106.827 -1.652 18250 2738 1 3 . 1 1 146 146 GLY C C 146 175.977 175.977 173.917 2.060 18250 2739 1 3 . 1 1 146 146 GLY CA C 146 45.723 45.723 44.799 0.924 18250 2740 1 3 . 1 1 146 146 GLY H H 146 7.438 7.438 7.773 -0.335 18250 2741 1 3 . 1 1 147 147 GLY N N 147 108.769 108.769 108.235 0.534 18250 2742 1 3 . 1 1 147 147 GLY C C 147 173.367 173.367 174.097 -0.730 18250 2743 1 3 . 1 1 147 147 GLY CA C 147 44.532 44.532 44.480 0.052 18250 2744 1 3 . 1 1 147 147 GLY H H 147 8.580 8.580 7.625 0.955 18250 2745 1 3 . 1 1 148 148 TRP N N 148 118.433 118.433 122.258 -3.825 18250 2746 1 3 . 1 1 148 148 TRP HA H 148 4.431 4.431 4.436 -0.005 18250 2747 1 3 . 1 1 148 148 TRP C C 148 178.434 178.434 177.746 0.688 18250 2748 1 3 . 1 1 148 148 TRP CA C 148 60.558 60.558 60.017 0.541 18250 2749 1 3 . 1 1 148 148 TRP CB C 148 29.872 29.872 29.858 0.014 18250 2750 1 3 . 1 1 148 148 TRP H H 148 8.715 8.715 8.227 0.488 18250 2751 1 3 . 1 1 149 149 ASP N N 149 118.214 118.214 119.030 -0.816 18250 2752 1 3 . 1 1 149 149 ASP HA H 149 4.446 4.446 4.304 0.142 18250 2753 1 3 . 1 1 149 149 ASP C C 149 179.629 179.629 178.180 1.449 18250 2754 1 3 . 1 1 149 149 ASP CA C 149 57.850 57.850 57.656 0.194 18250 2755 1 3 . 1 1 149 149 ASP CB C 149 40.379 40.379 40.661 -0.282 18250 2756 1 3 . 1 1 149 149 ASP H H 149 8.897 8.897 9.407 -0.510 18250 2757 1 3 . 1 1 150 150 THR N N 150 117.183 117.183 115.733 1.450 18250 2758 1 3 . 1 1 150 150 THR HA H 150 4.010 4.010 3.929 0.081 18250 2759 1 3 . 1 1 150 150 THR C C 150 175.220 175.220 175.963 -0.743 18250 2760 1 3 . 1 1 150 150 THR CA C 150 66.376 66.376 65.663 0.713 18250 2761 1 3 . 1 1 150 150 THR CB C 150 68.344 68.344 68.752 -0.408 18250 2762 1 3 . 1 1 150 150 THR H H 150 7.632 7.632 7.440 0.192 18250 2763 1 3 . 1 1 151 151 PHE N N 151 122.603 122.603 121.982 0.621 18250 2764 1 3 . 1 1 151 151 PHE HA H 151 4.423 4.423 3.393 1.030 18250 2765 1 3 . 1 1 151 151 PHE C C 151 176.703 176.703 176.256 0.447 18250 2766 1 3 . 1 1 151 151 PHE CA C 151 61.847 61.847 60.211 1.636 18250 2767 1 3 . 1 1 151 151 PHE CB C 151 37.952 37.952 38.773 -0.821 18250 2768 1 3 . 1 1 151 151 PHE H H 151 6.638 6.638 7.097 -0.459 18250 2769 1 3 . 1 1 152 152 VAL N N 152 117.675 117.675 118.638 -0.963 18250 2770 1 3 . 1 1 152 152 VAL HA H 152 3.065 3.065 3.374 -0.309 18250 2771 1 3 . 1 1 152 152 VAL C C 152 178.313 178.313 177.800 0.513 18250 2772 1 3 . 1 1 152 152 VAL CA C 152 66.780 66.780 66.019 0.761 18250 2773 1 3 . 1 1 152 152 VAL CB C 152 31.889 31.889 30.777 1.112 18250 2774 1 3 . 1 1 152 152 VAL H H 152 7.840 7.840 8.509 -0.669 18250 2775 1 3 . 1 1 153 153 GLU N N 153 120.159 120.159 118.272 1.887 18250 2776 1 3 . 1 1 153 153 GLU HA H 153 3.925 3.925 3.997 -0.072 18250 2777 1 3 . 1 1 153 153 GLU C C 153 178.157 178.157 177.656 0.501 18250 2778 1 3 . 1 1 153 153 GLU CA C 153 59.292 59.292 58.538 0.754 18250 2779 1 3 . 1 1 153 153 GLU CB C 153 29.569 29.569 29.533 0.036 18250 2780 1 3 . 1 1 153 153 GLU H H 153 7.484 7.484 7.804 -0.320 18250 2781 1 3 . 1 1 154 154 LEU N N 154 117.518 117.518 118.373 -0.855 18250 2782 1 3 . 1 1 154 154 LEU HA H 154 4.054 4.054 4.084 -0.030 18250 2783 1 3 . 1 1 154 154 LEU C C 154 178.563 178.563 178.117 0.446 18250 2784 1 3 . 1 1 154 154 LEU CA C 154 56.844 56.844 56.163 0.681 18250 2785 1 3 . 1 1 154 154 LEU CB C 154 43.739 43.739 42.828 0.910 18250 2786 1 3 . 1 1 154 154 LEU H H 154 7.701 7.701 7.131 0.570 18250 2787 1 3 . 1 1 155 155 TYR N N 155 116.466 116.466 116.400 0.066 18250 2788 1 3 . 1 1 155 155 TYR HA H 155 4.227 4.227 4.394 -0.167 18250 2789 1 3 . 1 1 155 155 TYR C C 155 176.835 176.835 175.112 1.723 18250 2790 1 3 . 1 1 155 155 TYR CA C 155 59.639 59.639 58.137 1.502 18250 2791 1 3 . 1 1 155 155 TYR CB C 155 38.891 38.891 38.680 0.211 18250 2792 1 3 . 1 1 155 155 TYR H H 155 8.210 8.210 7.774 0.436 18250 2793 1 3 . 1 1 156 156 GLY N N 156 108.677 108.677 107.038 1.639 18250 2794 1 3 . 1 1 156 156 GLY C C 156 173.893 173.893 173.535 0.358 18250 2795 1 3 . 1 1 156 156 GLY CA C 156 45.627 45.627 44.801 0.826 18250 2796 1 3 . 1 1 156 156 GLY H H 156 8.125 8.125 7.312 0.813 18250 2797 1 3 . 1 1 157 157 ASN N N 157 118.537 118.537 122.931 -4.394 18250 2798 1 3 . 1 1 157 157 ASN HA H 157 4.640 4.640 4.370 0.270 18250 2799 1 3 . 1 1 157 157 ASN C C 157 175.436 175.436 176.249 -0.813 18250 2800 1 3 . 1 1 157 157 ASN CA C 157 53.482 53.482 55.334 -1.852 18250 2801 1 3 . 1 1 157 157 ASN CB C 157 38.726 38.726 38.234 0.492 18250 2802 1 3 . 1 1 157 157 ASN H H 157 8.429 8.429 8.698 -0.269 18250 2803 1 3 . 1 1 158 158 ASN N N 158 119.251 119.251 120.371 -1.120 18250 2804 1 3 . 1 1 158 158 ASN HA H 158 4.634 4.634 4.453 0.181 18250 2805 1 3 . 1 1 158 158 ASN C C 158 175.574 175.574 177.037 -1.463 18250 2806 1 3 . 1 1 158 158 ASN CA C 158 53.845 53.845 56.916 -3.071 18250 2807 1 3 . 1 1 158 158 ASN CB C 158 38.841 38.841 37.757 1.084 18250 2808 1 3 . 1 1 158 158 ASN H H 158 8.444 8.444 8.366 0.078 18250 2809 1 3 . 1 1 159 159 ALA N N 159 123.557 123.557 121.418 2.139 18250 2810 1 3 . 1 1 159 159 ALA HA H 159 4.185 4.185 4.116 0.069 18250 2811 1 3 . 1 1 159 159 ALA C C 159 178.451 178.451 178.999 -0.548 18250 2812 1 3 . 1 1 159 159 ALA CA C 159 53.732 53.732 54.330 -0.598 18250 2813 1 3 . 1 1 159 159 ALA CB C 159 18.793 18.793 18.293 0.500 18250 2814 1 3 . 1 1 159 159 ALA H H 159 8.216 8.216 8.032 0.184 18250 2815 1 3 . 1 1 160 160 ALA N N 160 121.918 121.918 121.542 0.376 18250 2816 1 3 . 1 1 160 160 ALA HA H 160 4.236 4.236 4.021 0.215 18250 2817 1 3 . 1 1 160 160 ALA C C 160 178.493 178.493 179.478 -0.985 18250 2818 1 3 . 1 1 160 160 ALA CA C 160 53.131 53.131 54.829 -1.698 18250 2819 1 3 . 1 1 160 160 ALA CB C 160 18.623 18.623 18.462 0.161 18250 2820 1 3 . 1 1 160 160 ALA H H 160 8.159 8.159 8.498 -0.339 18250 2821 1 3 . 1 1 161 161 ALA N N 161 122.552 122.552 119.315 3.237 18250 2822 1 3 . 1 1 161 161 ALA HA H 161 4.160 4.160 4.070 0.090 18250 2823 1 3 . 1 1 161 161 ALA C C 161 178.993 178.993 179.452 -0.459 18250 2824 1 3 . 1 1 161 161 ALA CA C 161 53.807 53.807 54.807 -1.000 18250 2825 1 3 . 1 1 161 161 ALA CB C 161 18.845 18.845 18.460 0.385 18250 2826 1 3 . 1 1 161 161 ALA H H 161 8.054 8.054 7.933 0.121 18250 2827 1 3 . 1 1 162 162 GLU N N 162 118.709 118.709 116.563 2.146 18250 2828 1 3 . 1 1 162 162 GLU HA H 162 4.175 4.175 4.207 -0.032 18250 2829 1 3 . 1 1 162 162 GLU C C 162 177.630 177.630 177.678 -0.048 18250 2830 1 3 . 1 1 162 162 GLU CA C 162 57.788 57.788 58.151 -0.363 18250 2831 1 3 . 1 1 162 162 GLU CB C 162 29.767 29.767 29.836 -0.069 18250 2832 1 3 . 1 1 162 162 GLU H H 162 8.330 8.330 7.602 0.728 18250 2833 1 3 . 1 1 163 163 SER N N 163 115.336 115.336 113.431 1.905 18250 2834 1 3 . 1 1 163 163 SER HA H 163 4.378 4.378 4.486 -0.108 18250 2835 1 3 . 1 1 163 163 SER C C 163 175.241 175.241 176.470 -1.229 18250 2836 1 3 . 1 1 163 163 SER CA C 163 59.419 59.419 59.738 -0.319 18250 2837 1 3 . 1 1 163 163 SER CB C 163 63.456 63.456 64.190 -0.734 18250 2838 1 3 . 1 1 163 163 SER H H 163 8.122 8.122 8.185 -0.063 18250 2839 1 3 . 1 1 164 164 ARG N N 164 121.905 121.905 123.407 -1.502 18250 2840 1 3 . 1 1 164 164 ARG HA H 164 4.328 4.328 4.163 0.165 18250 2841 1 3 . 1 1 164 164 ARG C C 164 176.812 176.812 177.840 -1.028 18250 2842 1 3 . 1 1 164 164 ARG CA C 164 56.772 56.772 58.892 -2.120 18250 2843 1 3 . 1 1 164 164 ARG CB C 164 30.508 30.508 30.162 0.346 18250 2844 1 3 . 1 1 164 164 ARG H H 164 8.054 8.054 7.907 0.147 18250 2845 1 3 . 1 1 165 165 LYS N N 165 121.165 121.165 117.606 3.559 18250 2846 1 3 . 1 1 165 165 LYS HA H 165 4.247 4.247 4.323 -0.076 18250 2847 1 3 . 1 1 165 165 LYS C C 165 177.580 177.580 176.755 0.825 18250 2848 1 3 . 1 1 165 165 LYS CA C 165 57.272 57.272 57.716 -0.444 18250 2849 1 3 . 1 1 165 165 LYS CB C 165 32.845 32.845 31.621 1.224 18250 2850 1 3 . 1 1 165 165 LYS H H 165 8.111 8.111 7.762 0.349 18250 2851 1 3 . 1 1 166 166 GLY N N 166 109.466 109.466 106.983 2.483 18250 2852 1 3 . 1 1 166 166 GLY C C 166 174.696 174.696 174.359 0.337 18250 2853 1 3 . 1 1 166 166 GLY CA C 166 45.691 45.691 44.865 0.826 18250 2854 1 3 . 1 1 166 166 GLY H H 166 8.444 8.444 7.831 0.613 18250 2855 1 3 . 1 1 167 167 GLN N N 167 119.704 119.704 120.059 -0.355 18250 2856 1 3 . 1 1 167 167 GLN HA H 167 4.342 4.342 4.148 0.194 18250 2857 1 3 . 1 1 167 167 GLN C C 167 176.093 176.093 178.612 -2.519 18250 2858 1 3 . 1 1 167 167 GLN CA C 167 56.161 56.161 58.508 -2.348 18250 2859 1 3 . 1 1 167 167 GLN CB C 167 29.403 29.403 28.719 0.684 18250 2860 1 3 . 1 1 167 167 GLN H H 167 8.143 8.143 7.664 0.479 18250 2861 1 3 . 1 1 168 168 GLU N N 168 121.765 121.765 118.870 2.895 18250 2862 1 3 . 1 1 168 168 GLU HA H 168 4.224 4.224 4.234 -0.010 18250 2863 1 3 . 1 1 168 168 GLU C C 168 176.750 176.750 177.107 -0.357 18250 2864 1 3 . 1 1 168 168 GLU CA C 168 57.344 57.344 58.549 -1.205 18250 2865 1 3 . 1 1 168 168 GLU CB C 168 29.990 29.990 29.152 0.838 18250 2866 1 3 . 1 1 168 168 GLU H H 168 8.526 8.526 8.729 -0.203 18250 2867 1 3 . 1 1 169 169 ARG N N 169 121.114 121.114 117.681 3.433 18250 2868 1 3 . 1 1 169 169 ARG HA H 169 4.291 4.291 4.582 -0.291 18250 2869 1 3 . 1 1 169 169 ARG C C 169 177.587 177.587 176.374 1.213 18250 2870 1 3 . 1 1 169 169 ARG CA C 169 56.338 56.338 56.032 0.306 18250 2871 1 3 . 1 1 169 169 ARG CB C 169 30.516 30.516 29.963 0.553 18250 2872 1 3 . 1 1 169 169 ARG H H 169 8.284 8.284 8.119 0.165 18250 2873 1 3 . 1 1 170 170 LEU N N 170 122.853 122.853 121.784 1.069 18250 2874 1 3 . 1 1 170 170 LEU HA H 170 4.399 4.399 4.133 0.266 18250 2875 1 3 . 1 1 170 170 LEU C C 170 177.364 177.364 177.618 -0.254 18250 2876 1 3 . 1 1 170 170 LEU CA C 170 55.290 55.290 58.197 -2.907 18250 2877 1 3 . 1 1 170 170 LEU CB C 170 42.424 42.424 42.419 0.005 18250 2878 1 3 . 1 1 170 170 LEU H H 170 8.181 8.181 7.426 0.755 18250 2879 1 3 . 1 1 171 171 GLU N N 171 120.823 120.823 115.316 5.507 18250 2880 1 3 . 1 1 171 171 GLU C C 171 176.255 176.255 178.538 -2.283 18250 2881 1 3 . 1 1 171 171 GLU CA C 171 56.725 56.725 58.459 -1.734 18250 2882 1 3 . 1 1 171 171 GLU CB C 171 30.289 30.289 29.409 0.880 18250 2883 1 3 . 1 1 171 171 GLU H H 171 8.352 8.352 8.537 -0.185 18250 2884 1 4 . 1 1 2 2 SER N N 2 122.263 122.263 114.590 7.673 18250 2885 1 4 . 1 1 2 2 SER HA H 2 4.270 4.270 4.913 -0.643 18250 2886 1 4 . 1 1 2 2 SER CA C 2 59.961 59.961 58.358 1.603 18250 2887 1 4 . 1 1 2 2 SER CB C 2 64.958 64.958 64.177 0.781 18250 2888 1 4 . 1 1 2 2 SER H H 2 7.955 7.955 8.464 -0.509 18250 2889 1 4 . 1 1 3 3 GLN HA H 3 4.387 4.387 4.006 0.381 18250 2890 1 4 . 1 1 3 3 GLN C C 3 179.078 179.078 178.024 1.054 18250 2891 1 4 . 1 1 3 3 GLN CA C 3 56.616 56.616 59.699 -3.083 18250 2892 1 4 . 1 1 3 3 GLN CB C 3 29.224 29.224 28.758 0.466 18250 2893 1 4 . 1 1 4 4 SER N N 4 117.102 117.102 113.916 3.186 18250 2894 1 4 . 1 1 4 4 SER HA H 4 4.465 4.465 4.174 0.291 18250 2895 1 4 . 1 1 4 4 SER C C 4 175.930 175.930 175.985 -0.055 18250 2896 1 4 . 1 1 4 4 SER CA C 4 58.994 58.994 60.892 -1.898 18250 2897 1 4 . 1 1 4 4 SER CB C 4 63.490 63.490 62.694 0.796 18250 2898 1 4 . 1 1 4 4 SER H H 4 8.647 8.647 8.720 -0.073 18250 2899 1 4 . 1 1 5 5 ASN N N 5 122.476 122.476 120.942 1.534 18250 2900 1 4 . 1 1 5 5 ASN HA H 5 4.744 4.744 4.585 0.159 18250 2901 1 4 . 1 1 5 5 ASN C C 5 177.378 177.378 177.215 0.163 18250 2902 1 4 . 1 1 5 5 ASN CA C 5 56.150 56.150 55.913 0.236 18250 2903 1 4 . 1 1 5 5 ASN CB C 5 38.363 38.363 38.065 0.298 18250 2904 1 4 . 1 1 5 5 ASN H H 5 8.603 8.603 8.146 0.457 18250 2905 1 4 . 1 1 6 6 ARG N N 6 120.024 120.024 121.295 -1.271 18250 2906 1 4 . 1 1 6 6 ARG HA H 6 3.927 3.927 3.953 -0.026 18250 2907 1 4 . 1 1 6 6 ARG C C 6 177.331 177.331 177.846 -0.515 18250 2908 1 4 . 1 1 6 6 ARG CA C 6 59.861 59.861 59.655 0.206 18250 2909 1 4 . 1 1 6 6 ARG CB C 6 29.756 29.756 30.188 -0.432 18250 2910 1 4 . 1 1 6 6 ARG H H 6 8.252 8.252 8.535 -0.283 18250 2911 1 4 . 1 1 7 7 GLU N N 7 117.799 117.799 119.077 -1.278 18250 2912 1 4 . 1 1 7 7 GLU HA H 7 3.907 3.907 4.072 -0.165 18250 2913 1 4 . 1 1 7 7 GLU C C 7 179.388 179.388 179.279 0.109 18250 2914 1 4 . 1 1 7 7 GLU CA C 7 59.380 59.380 59.089 0.291 18250 2915 1 4 . 1 1 7 7 GLU CB C 7 29.624 29.624 28.922 0.702 18250 2916 1 4 . 1 1 7 7 GLU H H 7 7.953 7.953 7.953 0.000 18250 2917 1 4 . 1 1 8 8 LEU N N 8 119.794 119.794 118.981 0.813 18250 2918 1 4 . 1 1 8 8 LEU HA H 8 3.875 3.875 4.070 -0.195 18250 2919 1 4 . 1 1 8 8 LEU C C 8 178.368 178.368 179.432 -1.064 18250 2920 1 4 . 1 1 8 8 LEU CA C 8 58.116 58.116 57.776 0.340 18250 2921 1 4 . 1 1 8 8 LEU CB C 8 41.926 41.926 41.606 0.320 18250 2922 1 4 . 1 1 8 8 LEU H H 8 7.726 7.726 7.369 0.357 18250 2923 1 4 . 1 1 9 9 VAL N N 9 117.818 117.818 118.655 -0.837 18250 2924 1 4 . 1 1 9 9 VAL HA H 9 3.678 3.678 3.355 0.323 18250 2925 1 4 . 1 1 9 9 VAL C C 9 177.085 177.085 177.876 -0.791 18250 2926 1 4 . 1 1 9 9 VAL CA C 9 67.766 67.766 66.079 1.687 18250 2927 1 4 . 1 1 9 9 VAL CB C 9 32.429 32.429 31.596 0.833 18250 2928 1 4 . 1 1 9 9 VAL H H 9 7.765 7.765 7.082 0.683 18250 2929 1 4 . 1 1 10 10 VAL N N 10 117.317 117.317 120.346 -3.029 18250 2930 1 4 . 1 1 10 10 VAL HA H 10 2.926 2.926 3.204 -0.278 18250 2931 1 4 . 1 1 10 10 VAL C C 10 178.588 178.588 177.773 0.815 18250 2932 1 4 . 1 1 10 10 VAL CA C 10 67.029 67.029 66.792 0.237 18250 2933 1 4 . 1 1 10 10 VAL CB C 10 31.401 31.401 30.695 0.706 18250 2934 1 4 . 1 1 10 10 VAL H H 10 8.333 8.333 8.463 -0.130 18250 2935 1 4 . 1 1 11 11 ASP N N 11 120.859 120.859 119.555 1.304 18250 2936 1 4 . 1 1 11 11 ASP HA H 11 4.083 4.083 4.243 -0.160 18250 2937 1 4 . 1 1 11 11 ASP C C 11 177.495 177.495 178.582 -1.087 18250 2938 1 4 . 1 1 11 11 ASP CA C 11 58.947 58.947 57.529 1.418 18250 2939 1 4 . 1 1 11 11 ASP CB C 11 43.345 43.345 40.900 2.445 18250 2940 1 4 . 1 1 11 11 ASP H H 11 8.070 8.070 8.353 -0.283 18250 2941 1 4 . 1 1 12 12 PHE N N 12 120.293 120.293 119.477 0.816 18250 2942 1 4 . 1 1 12 12 PHE HA H 12 3.953 3.953 4.174 -0.221 18250 2943 1 4 . 1 1 12 12 PHE C C 12 178.083 178.083 177.069 1.014 18250 2944 1 4 . 1 1 12 12 PHE CA C 12 63.221 63.221 61.442 1.779 18250 2945 1 4 . 1 1 12 12 PHE CB C 12 40.134 40.134 39.442 0.692 18250 2946 1 4 . 1 1 12 12 PHE H H 12 8.327 8.327 7.330 0.997 18250 2947 1 4 . 1 1 13 13 LEU N N 13 116.845 116.845 119.905 -3.060 18250 2948 1 4 . 1 1 13 13 LEU HA H 13 3.990 3.990 3.980 0.010 18250 2949 1 4 . 1 1 13 13 LEU C C 13 179.454 179.454 178.981 0.473 18250 2950 1 4 . 1 1 13 13 LEU CA C 13 58.291 58.291 57.754 0.537 18250 2951 1 4 . 1 1 13 13 LEU CB C 13 41.739 41.739 41.388 0.351 18250 2952 1 4 . 1 1 13 13 LEU H H 13 8.907 8.907 8.479 0.428 18250 2953 1 4 . 1 1 14 14 SER N N 14 114.306 114.306 114.571 -0.265 18250 2954 1 4 . 1 1 14 14 SER HA H 14 4.257 4.257 4.116 0.141 18250 2955 1 4 . 1 1 14 14 SER C C 14 177.281 177.281 176.522 0.759 18250 2956 1 4 . 1 1 14 14 SER CA C 14 62.641 62.641 61.529 1.113 18250 2957 1 4 . 1 1 14 14 SER CB C 14 62.594 62.594 63.087 -0.493 18250 2958 1 4 . 1 1 14 14 SER H H 14 8.503 8.503 8.365 0.138 18250 2959 1 4 . 1 1 15 15 TYR N N 15 124.988 124.988 122.077 2.911 18250 2960 1 4 . 1 1 15 15 TYR HA H 15 4.388 4.388 4.178 0.210 18250 2961 1 4 . 1 1 15 15 TYR C C 15 178.247 178.247 177.214 1.033 18250 2962 1 4 . 1 1 15 15 TYR CA C 15 60.311 60.311 61.869 -1.558 18250 2963 1 4 . 1 1 15 15 TYR CB C 15 37.990 37.990 38.271 -0.281 18250 2964 1 4 . 1 1 15 15 TYR H H 15 8.252 8.252 8.075 0.177 18250 2965 1 4 . 1 1 16 16 LYS N N 16 120.256 120.256 118.939 1.317 18250 2966 1 4 . 1 1 16 16 LYS HA H 16 3.829 3.829 3.996 -0.167 18250 2967 1 4 . 1 1 16 16 LYS C C 16 180.272 180.272 178.993 1.279 18250 2968 1 4 . 1 1 16 16 LYS CA C 16 57.063 57.063 58.179 -1.116 18250 2969 1 4 . 1 1 16 16 LYS CB C 16 29.849 29.849 32.136 -2.287 18250 2970 1 4 . 1 1 16 16 LYS H H 16 8.331 8.331 7.408 0.923 18250 2971 1 4 . 1 1 17 17 LEU N N 17 118.564 118.564 120.618 -2.054 18250 2972 1 4 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.063 0.012 18250 2973 1 4 . 1 1 17 17 LEU C C 17 179.917 179.917 178.914 1.003 18250 2974 1 4 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.654 0.039 18250 2975 1 4 . 1 1 17 17 LEU CB C 17 41.178 41.178 41.853 -0.675 18250 2976 1 4 . 1 1 17 17 LEU H H 17 8.726 8.726 8.667 0.059 18250 2977 1 4 . 1 1 18 18 SER N N 18 117.861 117.861 113.945 3.916 18250 2978 1 4 . 1 1 18 18 SER HA H 18 4.696 4.696 4.389 0.307 18250 2979 1 4 . 1 1 18 18 SER C C 18 178.612 178.612 176.281 2.331 18250 2980 1 4 . 1 1 18 18 SER CA C 18 61.783 61.783 60.587 1.196 18250 2981 1 4 . 1 1 18 18 SER CB C 18 62.613 62.613 63.072 -0.459 18250 2982 1 4 . 1 1 18 18 SER H H 18 8.394 8.394 8.538 -0.144 18250 2983 1 4 . 1 1 19 19 GLN N N 19 122.899 122.899 119.979 2.920 18250 2984 1 4 . 1 1 19 19 GLN HA H 19 4.017 4.017 3.990 0.027 18250 2985 1 4 . 1 1 19 19 GLN C C 19 177.237 177.237 177.501 -0.264 18250 2986 1 4 . 1 1 19 19 GLN CA C 19 58.536 58.536 58.087 0.449 18250 2987 1 4 . 1 1 19 19 GLN CB C 19 28.795 28.795 28.579 0.216 18250 2988 1 4 . 1 1 19 19 GLN H H 19 7.691 7.691 7.327 0.364 18250 2989 1 4 . 1 1 20 20 LYS N N 20 116.425 116.425 116.217 0.208 18250 2990 1 4 . 1 1 20 20 LYS HA H 20 4.425 4.425 4.199 0.226 18250 2991 1 4 . 1 1 20 20 LYS C C 20 175.581 175.581 176.098 -0.517 18250 2992 1 4 . 1 1 20 20 LYS CA C 20 54.032 54.032 55.772 -1.740 18250 2993 1 4 . 1 1 20 20 LYS CB C 20 32.659 32.659 32.373 0.286 18250 2994 1 4 . 1 1 20 20 LYS H H 20 7.268 7.268 7.569 -0.301 18250 2995 1 4 . 1 1 21 21 GLY N N 21 105.593 105.593 106.591 -0.998 18250 2996 1 4 . 1 1 21 21 GLY C C 21 174.012 174.012 174.214 -0.202 18250 2997 1 4 . 1 1 21 21 GLY CA C 21 45.316 45.316 45.039 0.277 18250 2998 1 4 . 1 1 21 21 GLY H H 21 7.620 7.620 7.560 0.060 18250 2999 1 4 . 1 1 22 22 TYR N N 22 119.884 119.884 119.888 -0.004 18250 3000 1 4 . 1 1 22 22 TYR HA H 22 5.047 5.047 4.793 0.254 18250 3001 1 4 . 1 1 22 22 TYR C C 22 175.024 175.024 174.936 0.088 18250 3002 1 4 . 1 1 22 22 TYR CA C 22 55.645 55.645 55.706 -0.062 18250 3003 1 4 . 1 1 22 22 TYR CB C 22 40.969 40.969 39.942 1.027 18250 3004 1 4 . 1 1 22 22 TYR H H 22 7.892 7.892 7.982 -0.090 18250 3005 1 4 . 1 1 23 23 SER N N 23 115.410 115.410 116.932 -1.522 18250 3006 1 4 . 1 1 23 23 SER HA H 23 4.863 4.863 4.770 0.093 18250 3007 1 4 . 1 1 23 23 SER C C 23 174.483 174.483 175.578 -1.095 18250 3008 1 4 . 1 1 23 23 SER CA C 23 56.776 56.776 55.929 0.847 18250 3009 1 4 . 1 1 23 23 SER CB C 23 64.778 64.778 64.016 0.762 18250 3010 1 4 . 1 1 23 23 SER H H 23 8.561 8.561 8.753 -0.192 18250 3011 1 4 . 1 1 24 24 TRP N N 24 127.533 127.533 129.775 -2.242 18250 3012 1 4 . 1 1 24 24 TRP HA H 24 4.346 4.346 4.789 -0.443 18250 3013 1 4 . 1 1 24 24 TRP C C 24 176.876 176.876 176.573 0.303 18250 3014 1 4 . 1 1 24 24 TRP CA C 24 60.051 60.051 59.370 0.681 18250 3015 1 4 . 1 1 24 24 TRP CB C 24 30.824 30.824 29.841 0.983 18250 3016 1 4 . 1 1 24 24 TRP H H 24 9.026 9.026 9.379 -0.353 18250 3017 1 4 . 1 1 25 25 SER N N 25 112.236 112.236 114.140 -1.904 18250 3018 1 4 . 1 1 25 25 SER HA H 25 4.104 4.104 4.032 0.072 18250 3019 1 4 . 1 1 25 25 SER C C 25 175.164 175.164 174.983 0.181 18250 3020 1 4 . 1 1 25 25 SER CA C 25 60.033 60.033 61.229 -1.196 18250 3021 1 4 . 1 1 25 25 SER CB C 25 62.931 62.931 62.499 0.432 18250 3022 1 4 . 1 1 25 25 SER H H 25 8.236 8.236 7.667 0.569 18250 3023 1 4 . 1 1 26 26 GLN N N 26 119.530 119.530 118.706 0.824 18250 3024 1 4 . 1 1 26 26 GLN HA H 26 3.895 3.895 3.933 -0.038 18250 3025 1 4 . 1 1 26 26 GLN C C 26 176.075 176.075 176.858 -0.783 18250 3026 1 4 . 1 1 26 26 GLN CA C 26 56.959 56.959 57.387 -0.428 18250 3027 1 4 . 1 1 26 26 GLN CB C 26 28.764 28.764 28.603 0.161 18250 3028 1 4 . 1 1 26 26 GLN H H 26 7.467 7.467 7.105 0.362 18250 3029 1 4 . 1 1 27 27 PHE N N 27 116.668 116.668 116.343 0.325 18250 3030 1 4 . 1 1 27 27 PHE HA H 27 4.594 4.594 4.428 0.166 18250 3031 1 4 . 1 1 27 27 PHE C C 27 175.107 175.107 175.480 -0.373 18250 3032 1 4 . 1 1 27 27 PHE CA C 27 56.629 56.629 57.632 -1.003 18250 3033 1 4 . 1 1 27 27 PHE CB C 27 39.909 39.909 39.344 0.565 18250 3034 1 4 . 1 1 27 27 PHE H H 27 7.343 7.343 6.935 0.408 18250 3035 1 4 . 1 1 28 28 SER N N 28 114.121 114.121 114.401 -0.280 18250 3036 1 4 . 1 1 28 28 SER HA H 28 4.151 4.151 4.367 -0.216 18250 3037 1 4 . 1 1 28 28 SER C C 28 173.703 173.703 173.295 0.408 18250 3038 1 4 . 1 1 28 28 SER CA C 28 57.662 57.662 57.318 0.344 18250 3039 1 4 . 1 1 28 28 SER CB C 28 63.931 63.931 64.860 -0.929 18250 3040 1 4 . 1 1 28 28 SER H H 28 7.336 7.336 7.063 0.273 18250 3041 1 4 . 1 1 29 29 ASP N N 29 122.733 122.733 125.689 -2.956 18250 3042 1 4 . 1 1 29 29 ASP HA H 29 4.601 4.601 4.556 0.045 18250 3043 1 4 . 1 1 29 29 ASP C C 29 176.320 176.320 176.114 0.206 18250 3044 1 4 . 1 1 29 29 ASP CA C 29 54.194 54.194 54.825 -0.631 18250 3045 1 4 . 1 1 29 29 ASP CB C 29 41.145 41.145 40.958 0.187 18250 3046 1 4 . 1 1 29 29 ASP H H 29 8.370 8.370 8.614 -0.244 18250 3047 1 4 . 1 1 30 30 VAL N N 30 119.197 119.197 123.236 -4.039 18250 3048 1 4 . 1 1 30 30 VAL HA H 30 4.096 4.096 3.665 0.431 18250 3049 1 4 . 1 1 30 30 VAL C C 30 176.232 176.232 176.964 -0.732 18250 3050 1 4 . 1 1 30 30 VAL CA C 30 62.417 62.417 66.127 -3.710 18250 3051 1 4 . 1 1 30 30 VAL CB C 30 33.024 33.024 32.465 0.559 18250 3052 1 4 . 1 1 30 30 VAL H H 30 7.968 7.968 8.039 -0.071 18250 3053 1 4 . 1 1 31 31 GLU N N 31 124.470 124.470 117.133 7.337 18250 3054 1 4 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.166 0.094 18250 3055 1 4 . 1 1 31 31 GLU C C 31 176.526 176.526 177.656 -1.130 18250 3056 1 4 . 1 1 31 31 GLU CA C 31 56.706 56.706 58.303 -1.597 18250 3057 1 4 . 1 1 31 31 GLU CB C 31 30.250 30.250 29.277 0.973 18250 3058 1 4 . 1 1 31 31 GLU H H 31 8.502 8.502 8.505 -0.003 18250 3059 1 4 . 1 1 32 32 GLU N N 32 122.145 122.145 118.052 4.093 18250 3060 1 4 . 1 1 32 32 GLU HA H 32 4.233 4.233 4.226 0.007 18250 3061 1 4 . 1 1 32 32 GLU C C 32 176.172 176.172 176.285 -0.113 18250 3062 1 4 . 1 1 32 32 GLU CA C 32 56.732 56.732 57.305 -0.573 18250 3063 1 4 . 1 1 32 32 GLU CB C 32 30.643 30.643 29.675 0.968 18250 3064 1 4 . 1 1 32 32 GLU H H 32 8.426 8.426 8.136 0.290 18250 3065 1 4 . 1 1 33 33 ASN N N 33 119.562 119.562 117.162 2.400 18250 3066 1 4 . 1 1 33 33 ASN HA H 33 4.708 4.708 4.791 -0.083 18250 3067 1 4 . 1 1 33 33 ASN C C 33 174.983 174.983 173.670 1.313 18250 3068 1 4 . 1 1 33 33 ASN CA C 33 53.360 53.360 53.310 0.050 18250 3069 1 4 . 1 1 33 33 ASN CB C 33 38.994 38.994 38.853 0.141 18250 3070 1 4 . 1 1 33 33 ASN H H 33 8.503 8.503 7.528 0.975 18250 3071 1 4 . 1 1 34 34 ARG N N 34 122.040 122.040 124.653 -2.613 18250 3072 1 4 . 1 1 34 34 ARG HA H 34 4.411 4.411 4.541 -0.130 18250 3073 1 4 . 1 1 34 34 ARG C C 34 176.470 176.470 176.003 0.467 18250 3074 1 4 . 1 1 34 34 ARG CA C 34 56.151 56.151 56.120 0.031 18250 3075 1 4 . 1 1 34 34 ARG CB C 34 30.891 30.891 28.725 2.166 18250 3076 1 4 . 1 1 34 34 ARG H H 34 8.330 8.330 8.514 -0.184 18250 3077 1 4 . 1 1 35 35 THR N N 35 115.850 115.850 115.868 -0.018 18250 3078 1 4 . 1 1 35 35 THR HA H 35 4.329 4.329 4.483 -0.154 18250 3079 1 4 . 1 1 35 35 THR C C 35 174.429 174.429 174.625 -0.196 18250 3080 1 4 . 1 1 35 35 THR CA C 35 62.079 62.079 61.953 0.126 18250 3081 1 4 . 1 1 35 35 THR CB C 35 69.825 69.825 68.746 1.079 18250 3082 1 4 . 1 1 35 35 THR H H 35 8.283 8.283 8.204 0.079 18250 3083 1 4 . 1 1 36 36 GLU N N 36 123.074 123.074 127.446 -4.372 18250 3084 1 4 . 1 1 36 36 GLU HA H 36 4.311 4.311 4.429 -0.118 18250 3085 1 4 . 1 1 36 36 GLU C C 36 175.641 175.641 176.294 -0.653 18250 3086 1 4 . 1 1 36 36 GLU CA C 36 56.396 56.396 55.773 0.623 18250 3087 1 4 . 1 1 36 36 GLU CB C 36 30.379 30.379 30.983 -0.605 18250 3088 1 4 . 1 1 36 36 GLU H H 36 8.402 8.402 8.560 -0.158 18250 3089 1 4 . 1 1 37 37 ALA N N 37 126.190 126.190 127.439 -1.249 18250 3090 1 4 . 1 1 37 37 ALA HA H 37 4.613 4.613 4.506 0.107 18250 3091 1 4 . 1 1 37 37 ALA C C 37 175.419 175.419 175.773 -0.354 18250 3092 1 4 . 1 1 37 37 ALA CA C 37 50.532 50.532 50.598 -0.066 18250 3093 1 4 . 1 1 37 37 ALA CB C 37 18.633 18.633 18.416 0.216 18250 3094 1 4 . 1 1 37 37 ALA H H 37 8.314 8.314 8.334 -0.020 18250 3095 1 4 . 1 1 38 38 PRO HA H 38 4.427 4.427 4.479 -0.052 18250 3096 1 4 . 1 1 38 38 PRO C C 38 177.029 177.029 176.328 0.701 18250 3097 1 4 . 1 1 38 38 PRO CA C 38 63.216 63.216 62.541 0.675 18250 3098 1 4 . 1 1 38 38 PRO CB C 38 32.134 32.134 32.437 -0.303 18250 3099 1 4 . 1 1 39 39 GLU N N 39 121.295 121.295 123.399 -2.104 18250 3100 1 4 . 1 1 39 39 GLU HA H 39 4.301 4.301 4.251 0.050 18250 3101 1 4 . 1 1 39 39 GLU C C 39 177.079 177.079 176.533 0.546 18250 3102 1 4 . 1 1 39 39 GLU CA C 39 56.836 56.836 56.424 0.412 18250 3103 1 4 . 1 1 39 39 GLU CB C 39 30.441 30.441 29.667 0.774 18250 3104 1 4 . 1 1 39 39 GLU H H 39 8.640 8.640 8.532 0.108 18250 3105 1 4 . 1 1 40 40 GLY N N 40 110.317 110.317 112.567 -2.250 18250 3106 1 4 . 1 1 40 40 GLY C C 40 174.602 174.602 174.987 -0.385 18250 3107 1 4 . 1 1 40 40 GLY CA C 40 45.485 45.485 44.337 1.148 18250 3108 1 4 . 1 1 40 40 GLY H H 40 8.521 8.521 8.087 0.434 18250 3109 1 4 . 1 1 41 41 THR N N 41 113.178 113.178 118.783 -5.605 18250 3110 1 4 . 1 1 41 41 THR HA H 41 4.385 4.385 4.013 0.372 18250 3111 1 4 . 1 1 41 41 THR C C 41 175.499 175.499 176.656 -1.157 18250 3112 1 4 . 1 1 41 41 THR CA C 41 62.273 62.273 65.677 -3.404 18250 3113 1 4 . 1 1 41 41 THR CB C 41 69.917 69.917 68.909 1.008 18250 3114 1 4 . 1 1 41 41 THR H H 41 8.268 8.268 8.475 -0.207 18250 3115 1 4 . 1 1 42 42 GLU N N 42 123.140 123.140 120.413 2.727 18250 3116 1 4 . 1 1 42 42 GLU HA H 42 4.371 4.371 4.419 -0.048 18250 3117 1 4 . 1 1 42 42 GLU C C 42 177.161 177.161 178.564 -1.403 18250 3118 1 4 . 1 1 42 42 GLU CA C 42 57.492 57.492 58.258 -0.765 18250 3119 1 4 . 1 1 42 42 GLU CB C 42 29.924 29.924 29.184 0.740 18250 3120 1 4 . 1 1 42 42 GLU H H 42 8.847 8.847 8.670 0.177 18250 3121 1 4 . 1 1 43 43 SER N N 43 115.679 115.679 115.357 0.322 18250 3122 1 4 . 1 1 43 43 SER HA H 43 4.430 4.430 4.057 0.373 18250 3123 1 4 . 1 1 43 43 SER C C 43 175.673 175.673 176.812 -1.139 18250 3124 1 4 . 1 1 43 43 SER CA C 43 58.925 58.925 61.651 -2.726 18250 3125 1 4 . 1 1 43 43 SER CB C 43 63.710 63.710 62.324 1.386 18250 3126 1 4 . 1 1 43 43 SER H H 43 8.510 8.510 8.519 -0.009 18250 3127 1 4 . 1 1 44 44 GLU N N 44 123.102 123.102 119.819 3.283 18250 3128 1 4 . 1 1 44 44 GLU HA H 44 3.992 3.992 4.169 -0.177 18250 3129 1 4 . 1 1 44 44 GLU C C 44 177.924 177.924 178.229 -0.305 18250 3130 1 4 . 1 1 44 44 GLU CA C 44 59.074 59.074 58.410 0.664 18250 3131 1 4 . 1 1 44 44 GLU CB C 44 29.413 29.413 29.206 0.207 18250 3132 1 4 . 1 1 44 44 GLU H H 44 8.350 8.350 7.776 0.574 18250 3133 1 4 . 1 1 45 45 ALA N N 45 120.958 120.958 122.656 -1.698 18250 3134 1 4 . 1 1 45 45 ALA HA H 45 4.131 4.131 4.259 -0.128 18250 3135 1 4 . 1 1 45 45 ALA C C 45 180.641 180.641 179.641 1.000 18250 3136 1 4 . 1 1 45 45 ALA CA C 45 55.157 55.157 54.742 0.415 18250 3137 1 4 . 1 1 45 45 ALA CB C 45 18.575 18.575 18.762 -0.187 18250 3138 1 4 . 1 1 45 45 ALA H H 45 8.227 8.227 7.645 0.582 18250 3139 1 4 . 1 1 46 46 VAL N N 46 118.867 118.867 120.072 -1.205 18250 3140 1 4 . 1 1 46 46 VAL HA H 46 3.496 3.496 3.643 -0.147 18250 3141 1 4 . 1 1 46 46 VAL C C 46 176.724 176.724 176.870 -0.146 18250 3142 1 4 . 1 1 46 46 VAL CA C 46 66.189 66.189 65.585 0.604 18250 3143 1 4 . 1 1 46 46 VAL CB C 46 31.811 31.811 30.678 1.133 18250 3144 1 4 . 1 1 46 46 VAL H H 46 7.569 7.569 8.414 -0.845 18250 3145 1 4 . 1 1 47 47 LYS N N 47 117.922 117.922 119.190 -1.268 18250 3146 1 4 . 1 1 47 47 LYS HA H 47 3.719 3.719 3.838 -0.119 18250 3147 1 4 . 1 1 47 47 LYS C C 47 178.888 178.888 178.835 0.053 18250 3148 1 4 . 1 1 47 47 LYS CA C 47 59.801 59.801 59.942 -0.141 18250 3149 1 4 . 1 1 47 47 LYS CB C 47 32.514 32.514 31.974 0.539 18250 3150 1 4 . 1 1 47 47 LYS H H 47 7.437 7.437 8.030 -0.593 18250 3151 1 4 . 1 1 48 48 GLN N N 48 116.490 116.490 118.422 -1.932 18250 3152 1 4 . 1 1 48 48 GLN HA H 48 3.712 3.712 4.092 -0.380 18250 3153 1 4 . 1 1 48 48 GLN C C 48 177.625 177.625 177.676 -0.051 18250 3154 1 4 . 1 1 48 48 GLN CA C 48 59.027 59.027 58.315 0.712 18250 3155 1 4 . 1 1 48 48 GLN CB C 48 28.103 28.103 28.710 -0.607 18250 3156 1 4 . 1 1 48 48 GLN H H 48 8.168 8.168 7.432 0.736 18250 3157 1 4 . 1 1 49 49 ALA N N 49 120.362 120.362 124.191 -3.829 18250 3158 1 4 . 1 1 49 49 ALA HA H 49 4.227 4.227 3.923 0.304 18250 3159 1 4 . 1 1 49 49 ALA C C 49 179.807 179.807 179.535 0.272 18250 3160 1 4 . 1 1 49 49 ALA CA C 49 54.930 54.930 55.309 -0.379 18250 3161 1 4 . 1 1 49 49 ALA CB C 49 18.708 18.708 18.306 0.402 18250 3162 1 4 . 1 1 49 49 ALA H H 49 7.789 7.789 8.417 -0.628 18250 3163 1 4 . 1 1 50 50 LEU N N 50 120.591 120.591 117.284 3.307 18250 3164 1 4 . 1 1 50 50 LEU HA H 50 4.151 4.151 4.063 0.088 18250 3165 1 4 . 1 1 50 50 LEU C C 50 179.225 179.225 179.385 -0.160 18250 3166 1 4 . 1 1 50 50 LEU CA C 50 58.581 58.581 57.478 1.103 18250 3167 1 4 . 1 1 50 50 LEU CB C 50 42.279 42.279 40.438 1.841 18250 3168 1 4 . 1 1 50 50 LEU H H 50 8.491 8.491 8.722 -0.231 18250 3169 1 4 . 1 1 51 51 ARG N N 51 118.934 118.934 119.592 -0.658 18250 3170 1 4 . 1 1 51 51 ARG HA H 51 3.772 3.772 3.985 -0.213 18250 3171 1 4 . 1 1 51 51 ARG C C 51 178.618 178.618 178.837 -0.219 18250 3172 1 4 . 1 1 51 51 ARG CA C 51 60.954 60.954 59.714 1.240 18250 3173 1 4 . 1 1 51 51 ARG CB C 51 30.888 30.888 29.829 1.059 18250 3174 1 4 . 1 1 51 51 ARG H H 51 8.170 8.170 7.562 0.608 18250 3175 1 4 . 1 1 52 52 GLU N N 52 116.532 116.532 118.770 -2.238 18250 3176 1 4 . 1 1 52 52 GLU HA H 52 4.156 4.156 4.087 0.069 18250 3177 1 4 . 1 1 52 52 GLU C C 52 179.937 179.937 178.542 1.395 18250 3178 1 4 . 1 1 52 52 GLU CA C 52 59.383 59.383 58.522 0.861 18250 3179 1 4 . 1 1 52 52 GLU CB C 52 29.640 29.640 29.263 0.377 18250 3180 1 4 . 1 1 52 52 GLU H H 52 7.914 7.914 7.799 0.115 18250 3181 1 4 . 1 1 53 53 ALA N N 53 123.226 123.226 121.616 1.610 18250 3182 1 4 . 1 1 53 53 ALA HA H 53 4.473 4.473 3.286 1.187 18250 3183 1 4 . 1 1 53 53 ALA C C 53 181.683 181.683 179.712 1.971 18250 3184 1 4 . 1 1 53 53 ALA CA C 53 55.114 55.114 54.506 0.608 18250 3185 1 4 . 1 1 53 53 ALA CB C 53 19.476 19.476 18.071 1.405 18250 3186 1 4 . 1 1 53 53 ALA H H 53 8.902 8.902 8.455 0.447 18250 3187 1 4 . 1 1 54 54 GLY N N 54 108.711 108.711 105.432 3.279 18250 3188 1 4 . 1 1 54 54 GLY C C 54 175.330 175.330 175.762 -0.432 18250 3189 1 4 . 1 1 54 54 GLY CA C 54 47.111 47.111 47.027 0.084 18250 3190 1 4 . 1 1 54 54 GLY H H 54 9.186 9.186 8.561 0.625 18250 3191 1 4 . 1 1 55 55 ASP N N 55 122.891 122.891 121.118 1.773 18250 3192 1 4 . 1 1 55 55 ASP C C 55 179.023 179.023 177.859 1.164 18250 3193 1 4 . 1 1 55 55 ASP CA C 55 57.752 57.752 56.873 0.878 18250 3194 1 4 . 1 1 55 55 ASP CB C 55 39.839 39.839 41.266 -1.427 18250 3195 1 4 . 1 1 55 55 ASP H H 55 8.224 8.224 7.468 0.756 18250 3196 1 4 . 1 1 56 56 GLU N N 56 120.753 120.753 120.644 0.109 18250 3197 1 4 . 1 1 56 56 GLU HA H 56 4.180 4.180 4.078 0.102 18250 3198 1 4 . 1 1 56 56 GLU C C 56 178.472 178.472 178.774 -0.302 18250 3199 1 4 . 1 1 56 56 GLU CA C 56 59.600 59.600 58.977 0.623 18250 3200 1 4 . 1 1 56 56 GLU CB C 56 29.782 29.782 29.612 0.170 18250 3201 1 4 . 1 1 56 56 GLU H H 56 8.282 8.282 7.596 0.686 18250 3202 1 4 . 1 1 57 57 PHE N N 57 121.604 121.604 119.773 1.831 18250 3203 1 4 . 1 1 57 57 PHE HA H 57 4.341 4.341 4.241 0.100 18250 3204 1 4 . 1 1 57 57 PHE C C 57 177.008 177.008 177.406 -0.398 18250 3205 1 4 . 1 1 57 57 PHE CA C 57 61.915 61.915 62.124 -0.209 18250 3206 1 4 . 1 1 57 57 PHE CB C 57 40.025 40.025 39.682 0.343 18250 3207 1 4 . 1 1 57 57 PHE H H 57 8.671 8.671 8.867 -0.196 18250 3208 1 4 . 1 1 58 58 GLU N N 58 116.765 116.765 119.330 -2.565 18250 3209 1 4 . 1 1 58 58 GLU HA H 58 3.667 3.667 4.104 -0.437 18250 3210 1 4 . 1 1 58 58 GLU C C 58 177.661 177.661 177.905 -0.244 18250 3211 1 4 . 1 1 58 58 GLU CA C 58 58.795 58.795 58.931 -0.136 18250 3212 1 4 . 1 1 58 58 GLU CB C 58 29.783 29.783 29.639 0.144 18250 3213 1 4 . 1 1 58 58 GLU H H 58 8.136 8.136 7.843 0.293 18250 3214 1 4 . 1 1 59 59 LEU N N 59 117.344 117.344 117.948 -0.604 18250 3215 1 4 . 1 1 59 59 LEU HA H 59 4.201 4.201 4.244 -0.043 18250 3216 1 4 . 1 1 59 59 LEU C C 59 178.953 178.953 177.985 0.968 18250 3217 1 4 . 1 1 59 59 LEU CA C 59 56.973 56.973 56.497 0.476 18250 3218 1 4 . 1 1 59 59 LEU CB C 59 42.976 42.976 41.774 1.202 18250 3219 1 4 . 1 1 59 59 LEU H H 59 7.513 7.513 7.664 -0.151 18250 3220 1 4 . 1 1 60 60 ARG N N 60 117.779 117.779 118.019 -0.240 18250 3221 1 4 . 1 1 60 60 ARG HA H 60 3.957 3.957 4.162 -0.205 18250 3222 1 4 . 1 1 60 60 ARG C C 60 177.342 177.342 176.832 0.510 18250 3223 1 4 . 1 1 60 60 ARG CA C 60 57.901 57.901 56.931 0.970 18250 3224 1 4 . 1 1 60 60 ARG CB C 60 31.153 31.153 31.476 -0.323 18250 3225 1 4 . 1 1 60 60 ARG H H 60 8.072 8.072 7.191 0.881 18250 3226 1 4 . 1 1 61 61 TYR N N 61 119.056 119.056 117.444 1.612 18250 3227 1 4 . 1 1 61 61 TYR HA H 61 4.744 4.744 4.710 0.034 18250 3228 1 4 . 1 1 61 61 TYR C C 61 175.214 175.214 175.293 -0.079 18250 3229 1 4 . 1 1 61 61 TYR CA C 61 56.294 56.294 56.047 0.247 18250 3230 1 4 . 1 1 61 61 TYR CB C 61 37.024 37.024 37.579 -0.555 18250 3231 1 4 . 1 1 61 61 TYR H H 61 8.050 8.050 8.201 -0.151 18250 3232 1 4 . 1 1 62 62 ARG N N 62 119.956 119.956 123.835 -3.879 18250 3233 1 4 . 1 1 62 62 ARG HA H 62 4.058 4.058 4.032 0.026 18250 3234 1 4 . 1 1 62 62 ARG C C 62 178.183 178.183 177.514 0.669 18250 3235 1 4 . 1 1 62 62 ARG CA C 62 59.025 59.025 60.588 -1.563 18250 3236 1 4 . 1 1 62 62 ARG CB C 62 30.139 30.139 30.392 -0.254 18250 3237 1 4 . 1 1 62 62 ARG H H 62 7.419 7.419 8.500 -1.081 18250 3238 1 4 . 1 1 63 63 ARG HA H 63 4.222 4.222 4.202 0.020 18250 3239 1 4 . 1 1 63 63 ARG C C 63 177.387 177.387 178.298 -0.911 18250 3240 1 4 . 1 1 63 63 ARG CA C 63 57.730 57.730 59.165 -1.435 18250 3241 1 4 . 1 1 63 63 ARG CB C 63 29.179 29.179 29.543 -0.364 18250 3242 1 4 . 1 1 64 64 ALA N N 64 122.003 122.003 121.949 0.054 18250 3243 1 4 . 1 1 64 64 ALA HA H 64 4.100 4.100 4.228 -0.128 18250 3244 1 4 . 1 1 64 64 ALA C C 64 179.975 179.975 179.532 0.443 18250 3245 1 4 . 1 1 64 64 ALA CA C 64 54.579 54.579 54.761 -0.182 18250 3246 1 4 . 1 1 64 64 ALA CB C 64 18.636 18.636 18.343 0.293 18250 3247 1 4 . 1 1 64 64 ALA H H 64 7.868 7.868 7.860 0.008 18250 3248 1 4 . 1 1 65 65 PHE N N 65 115.858 115.858 119.873 -4.015 18250 3249 1 4 . 1 1 65 65 PHE HA H 65 4.800 4.800 4.485 0.315 18250 3250 1 4 . 1 1 65 65 PHE C C 65 177.376 177.376 177.707 -0.331 18250 3251 1 4 . 1 1 65 65 PHE CA C 65 58.222 58.222 61.537 -3.315 18250 3252 1 4 . 1 1 65 65 PHE CB C 65 38.877 38.877 39.516 -0.639 18250 3253 1 4 . 1 1 65 65 PHE H H 65 8.579 8.579 8.256 0.323 18250 3254 1 4 . 1 1 66 66 SER N N 66 116.942 116.942 115.290 1.652 18250 3255 1 4 . 1 1 66 66 SER HA H 66 4.223 4.223 4.175 0.048 18250 3256 1 4 . 1 1 66 66 SER C C 66 176.472 176.472 176.583 -0.111 18250 3257 1 4 . 1 1 66 66 SER CA C 66 61.764 61.764 61.290 0.474 18250 3258 1 4 . 1 1 66 66 SER CB C 66 63.012 63.012 63.181 -0.169 18250 3259 1 4 . 1 1 66 66 SER H H 66 8.232 8.232 8.690 -0.458 18250 3260 1 4 . 1 1 67 67 ASP N N 67 121.623 121.623 122.770 -1.147 18250 3261 1 4 . 1 1 67 67 ASP HA H 67 4.487 4.487 4.502 -0.015 18250 3262 1 4 . 1 1 67 67 ASP C C 67 178.404 178.404 178.229 0.175 18250 3263 1 4 . 1 1 67 67 ASP CA C 67 56.827 56.827 56.894 -0.067 18250 3264 1 4 . 1 1 67 67 ASP CB C 67 40.176 40.176 41.152 -0.976 18250 3265 1 4 . 1 1 67 67 ASP H H 67 8.476 8.476 7.845 0.631 18250 3266 1 4 . 1 1 68 68 LEU N N 68 121.200 121.200 118.596 2.604 18250 3267 1 4 . 1 1 68 68 LEU HA H 68 4.104 4.104 3.899 0.205 18250 3268 1 4 . 1 1 68 68 LEU C C 68 179.046 179.046 178.552 0.494 18250 3269 1 4 . 1 1 68 68 LEU CA C 68 57.972 57.972 57.453 0.519 18250 3270 1 4 . 1 1 68 68 LEU CB C 68 42.555 42.555 41.629 0.926 18250 3271 1 4 . 1 1 68 68 LEU H H 68 7.889 7.889 8.493 -0.604 18250 3272 1 4 . 1 1 69 69 THR N N 69 110.282 110.282 111.899 -1.617 18250 3273 1 4 . 1 1 69 69 THR HA H 69 4.086 4.086 3.739 0.347 18250 3274 1 4 . 1 1 69 69 THR C C 69 177.457 177.457 176.077 1.380 18250 3275 1 4 . 1 1 69 69 THR CA C 69 65.839 65.839 66.093 -0.254 18250 3276 1 4 . 1 1 69 69 THR CB C 69 68.442 68.442 68.064 0.378 18250 3277 1 4 . 1 1 69 69 THR H H 69 8.493 8.493 8.021 0.472 18250 3278 1 4 . 1 1 70 70 SER N N 70 116.582 116.582 115.043 1.539 18250 3279 1 4 . 1 1 70 70 SER HA H 70 4.330 4.330 4.272 0.058 18250 3280 1 4 . 1 1 70 70 SER C C 70 175.607 175.607 176.789 -1.182 18250 3281 1 4 . 1 1 70 70 SER CA C 70 60.676 60.676 60.676 -0.000 18250 3282 1 4 . 1 1 70 70 SER CB C 70 63.301 63.301 62.808 0.493 18250 3283 1 4 . 1 1 70 70 SER H H 70 7.754 7.754 7.500 0.254 18250 3284 1 4 . 1 1 71 71 GLN N N 71 119.129 119.129 120.566 -1.437 18250 3285 1 4 . 1 1 71 71 GLN HA H 71 4.108 4.108 4.276 -0.168 18250 3286 1 4 . 1 1 71 71 GLN C C 71 176.338 176.338 177.193 -0.855 18250 3287 1 4 . 1 1 71 71 GLN CA C 71 57.407 57.407 58.166 -0.759 18250 3288 1 4 . 1 1 71 71 GLN CB C 71 29.533 29.533 28.925 0.608 18250 3289 1 4 . 1 1 71 71 GLN H H 71 7.754 7.754 7.552 0.202 18250 3290 1 4 . 1 1 72 72 LEU N N 72 118.804 118.804 119.037 -0.233 18250 3291 1 4 . 1 1 72 72 LEU HA H 72 4.312 4.312 4.439 -0.127 18250 3292 1 4 . 1 1 72 72 LEU C C 72 174.285 174.285 175.373 -1.088 18250 3293 1 4 . 1 1 72 72 LEU CA C 72 55.437 55.437 53.133 2.304 18250 3294 1 4 . 1 1 72 72 LEU CB C 72 43.888 43.888 42.458 1.430 18250 3295 1 4 . 1 1 72 72 LEU H H 72 7.577 7.577 7.427 0.150 18250 3296 1 4 . 1 1 73 73 HIS HA H 73 4.644 4.644 4.429 0.215 18250 3297 1 4 . 1 1 73 73 HIS C C 73 174.452 174.452 175.320 -0.868 18250 3298 1 4 . 1 1 73 73 HIS CA C 73 54.964 54.964 55.280 -0.316 18250 3299 1 4 . 1 1 73 73 HIS CB C 73 28.747 28.747 29.299 -0.552 18250 3300 1 4 . 1 1 74 74 ILE N N 74 122.470 122.470 126.024 -3.554 18250 3301 1 4 . 1 1 74 74 ILE HA H 74 4.207 4.207 4.238 -0.031 18250 3302 1 4 . 1 1 74 74 ILE CA C 74 61.962 61.962 60.861 1.101 18250 3303 1 4 . 1 1 74 74 ILE CB C 74 38.952 38.952 38.216 0.736 18250 3304 1 4 . 1 1 74 74 ILE H H 74 8.767 8.767 8.198 0.569 18250 3305 1 4 . 1 1 75 75 THR N N 75 120.535 120.535 122.973 -2.438 18250 3306 1 4 . 1 1 75 75 THR HA H 75 4.325 4.325 4.855 -0.530 18250 3307 1 4 . 1 1 75 75 THR H H 75 7.953 7.953 7.819 0.134 18250 3308 1 4 . 1 1 77 77 GLY CA C 77 44.791 44.791 45.181 -0.390 18250 3309 1 4 . 1 1 78 78 THR N N 78 130.040 130.040 114.479 15.561 18250 3310 1 4 . 1 1 78 78 THR HA H 78 4.147 4.147 3.946 0.201 18250 3311 1 4 . 1 1 78 78 THR H H 78 8.795 8.795 7.888 0.907 18250 3312 1 4 . 1 1 79 79 ALA HA H 79 4.827 4.827 4.010 0.817 18250 3313 1 4 . 1 1 79 79 ALA C C 79 177.644 177.644 176.897 0.747 18250 3314 1 4 . 1 1 79 79 ALA CA C 79 51.117 51.117 52.071 -0.954 18250 3315 1 4 . 1 1 79 79 ALA CB C 79 21.518 21.518 18.558 2.960 18250 3316 1 4 . 1 1 80 80 TYR N N 80 121.374 121.374 120.981 0.393 18250 3317 1 4 . 1 1 80 80 TYR HA H 80 4.648 4.648 3.503 1.145 18250 3318 1 4 . 1 1 80 80 TYR C C 80 176.560 176.560 176.681 -0.121 18250 3319 1 4 . 1 1 80 80 TYR CA C 80 60.846 60.846 61.123 -0.277 18250 3320 1 4 . 1 1 80 80 TYR CB C 80 38.165 38.165 38.241 -0.076 18250 3321 1 4 . 1 1 80 80 TYR H H 80 8.858 8.858 8.465 0.393 18250 3322 1 4 . 1 1 81 81 GLN N N 81 115.124 115.124 118.298 -3.174 18250 3323 1 4 . 1 1 81 81 GLN HA H 81 3.802 3.802 3.780 0.022 18250 3324 1 4 . 1 1 81 81 GLN C C 81 178.330 178.330 177.880 0.450 18250 3325 1 4 . 1 1 81 81 GLN CA C 81 59.911 59.911 59.085 0.826 18250 3326 1 4 . 1 1 81 81 GLN CB C 81 28.016 28.016 27.609 0.407 18250 3327 1 4 . 1 1 81 81 GLN H H 81 8.532 8.532 8.660 -0.128 18250 3328 1 4 . 1 1 82 82 SER N N 82 114.423 114.423 115.422 -0.999 18250 3329 1 4 . 1 1 82 82 SER HA H 82 4.253 4.253 4.128 0.125 18250 3330 1 4 . 1 1 82 82 SER CA C 82 62.089 62.089 61.017 1.072 18250 3331 1 4 . 1 1 82 82 SER CB C 82 63.338 63.338 63.168 0.170 18250 3332 1 4 . 1 1 82 82 SER H H 82 7.356 7.356 7.447 -0.091 18250 3333 1 4 . 1 1 83 83 PHE HA H 83 3.937 3.937 3.998 -0.061 18250 3334 1 4 . 1 1 83 83 PHE C C 83 175.136 175.136 176.318 -1.182 18250 3335 1 4 . 1 1 83 83 PHE CA C 83 61.335 61.335 60.459 0.876 18250 3336 1 4 . 1 1 83 83 PHE CB C 83 39.433 39.433 39.317 0.116 18250 3337 1 4 . 1 1 84 84 GLU N N 84 119.917 119.917 118.985 0.932 18250 3338 1 4 . 1 1 84 84 GLU HA H 84 3.331 3.331 3.482 -0.151 18250 3339 1 4 . 1 1 84 84 GLU C C 84 177.012 177.012 178.160 -1.148 18250 3340 1 4 . 1 1 84 84 GLU CA C 84 59.146 59.146 59.090 0.056 18250 3341 1 4 . 1 1 84 84 GLU CB C 84 30.460 30.460 28.954 1.506 18250 3342 1 4 . 1 1 84 84 GLU H H 84 8.659 8.659 8.416 0.243 18250 3343 1 4 . 1 1 85 85 GLN N N 85 115.027 115.027 117.212 -2.185 18250 3344 1 4 . 1 1 85 85 GLN HA H 85 3.888 3.888 3.925 -0.037 18250 3345 1 4 . 1 1 85 85 GLN C C 85 178.571 178.571 177.435 1.136 18250 3346 1 4 . 1 1 85 85 GLN CA C 85 59.103 59.103 58.182 0.921 18250 3347 1 4 . 1 1 85 85 GLN CB C 85 28.586 28.586 28.681 -0.095 18250 3348 1 4 . 1 1 85 85 GLN H H 85 7.592 7.592 7.434 0.158 18250 3349 1 4 . 1 1 86 86 VAL N N 86 118.481 118.481 116.136 2.345 18250 3350 1 4 . 1 1 86 86 VAL HA H 86 3.644 3.644 3.787 -0.143 18250 3351 1 4 . 1 1 86 86 VAL C C 86 177.898 177.898 177.961 -0.063 18250 3352 1 4 . 1 1 86 86 VAL CA C 86 66.100 66.100 64.341 1.759 18250 3353 1 4 . 1 1 86 86 VAL CB C 86 31.799 31.799 32.720 -0.921 18250 3354 1 4 . 1 1 86 86 VAL H H 86 7.164 7.164 7.159 0.005 18250 3355 1 4 . 1 1 87 87 VAL N N 87 119.825 119.825 117.907 1.918 18250 3356 1 4 . 1 1 87 87 VAL HA H 87 3.028 3.028 3.490 -0.462 18250 3357 1 4 . 1 1 87 87 VAL C C 87 177.853 177.853 177.157 0.696 18250 3358 1 4 . 1 1 87 87 VAL CA C 87 66.394 66.394 65.274 1.120 18250 3359 1 4 . 1 1 87 87 VAL CB C 87 31.044 31.044 30.720 0.324 18250 3360 1 4 . 1 1 87 87 VAL H H 87 7.980 7.980 7.429 0.551 18250 3361 1 4 . 1 1 88 88 ASN N N 88 117.625 117.625 120.002 -2.377 18250 3362 1 4 . 1 1 88 88 ASN HA H 88 4.283 4.283 4.433 -0.150 18250 3363 1 4 . 1 1 88 88 ASN C C 88 178.987 178.987 176.869 2.118 18250 3364 1 4 . 1 1 88 88 ASN CA C 88 55.449 55.449 56.188 -0.739 18250 3365 1 4 . 1 1 88 88 ASN CB C 88 37.329 37.329 38.205 -0.876 18250 3366 1 4 . 1 1 88 88 ASN H H 88 8.437 8.437 8.532 -0.095 18250 3367 1 4 . 1 1 89 89 GLU N N 89 118.940 118.940 118.856 0.084 18250 3368 1 4 . 1 1 89 89 GLU HA H 89 4.001 4.001 4.102 -0.101 18250 3369 1 4 . 1 1 89 89 GLU C C 89 179.305 179.305 178.757 0.548 18250 3370 1 4 . 1 1 89 89 GLU CA C 89 59.016 59.016 58.263 0.753 18250 3371 1 4 . 1 1 89 89 GLU CB C 89 29.120 29.120 29.426 -0.306 18250 3372 1 4 . 1 1 89 89 GLU H H 89 7.377 7.377 7.957 -0.580 18250 3373 1 4 . 1 1 90 90 LEU N N 90 120.797 120.797 119.998 0.799 18250 3374 1 4 . 1 1 90 90 LEU HA H 90 3.821 3.821 4.060 -0.239 18250 3375 1 4 . 1 1 90 90 LEU C C 90 178.249 178.249 178.266 -0.017 18250 3376 1 4 . 1 1 90 90 LEU CA C 90 57.491 57.491 57.397 0.094 18250 3377 1 4 . 1 1 90 90 LEU CB C 90 41.502 41.502 42.035 -0.533 18250 3378 1 4 . 1 1 90 90 LEU H H 90 7.608 7.608 7.475 0.133 18250 3379 1 4 . 1 1 91 91 PHE N N 91 113.366 113.366 119.456 -6.090 18250 3380 1 4 . 1 1 91 91 PHE HA H 91 4.532 4.532 4.085 0.447 18250 3381 1 4 . 1 1 91 91 PHE C C 91 176.475 176.475 178.032 -1.557 18250 3382 1 4 . 1 1 91 91 PHE CA C 91 57.504 57.504 61.253 -3.749 18250 3383 1 4 . 1 1 91 91 PHE CB C 91 39.470 39.470 39.312 0.158 18250 3384 1 4 . 1 1 91 91 PHE H H 91 7.024 7.024 7.623 -0.599 18250 3385 1 4 . 1 1 92 92 ARG N N 92 123.994 123.994 120.165 3.829 18250 3386 1 4 . 1 1 92 92 ARG HA H 92 3.965 3.965 4.175 -0.210 18250 3387 1 4 . 1 1 92 92 ARG C C 92 177.152 177.152 176.732 0.420 18250 3388 1 4 . 1 1 92 92 ARG CA C 92 59.743 59.743 57.864 1.879 18250 3389 1 4 . 1 1 92 92 ARG CB C 92 30.171 30.171 29.980 0.192 18250 3390 1 4 . 1 1 92 92 ARG H H 92 7.237 7.237 8.562 -1.325 18250 3391 1 4 . 1 1 93 93 ASP N N 93 116.866 116.866 116.815 0.051 18250 3392 1 4 . 1 1 93 93 ASP HA H 93 4.823 4.823 4.638 0.185 18250 3393 1 4 . 1 1 93 93 ASP C C 93 175.589 175.589 176.171 -0.582 18250 3394 1 4 . 1 1 93 93 ASP CA C 93 54.068 54.068 53.234 0.834 18250 3395 1 4 . 1 1 93 93 ASP CB C 93 40.755 40.755 40.932 -0.177 18250 3396 1 4 . 1 1 93 93 ASP H H 93 8.711 8.711 7.706 1.005 18250 3397 1 4 . 1 1 94 94 GLY N N 94 108.978 108.978 107.977 1.001 18250 3398 1 4 . 1 1 94 94 GLY C C 94 172.635 172.635 174.359 -1.724 18250 3399 1 4 . 1 1 94 94 GLY CA C 94 43.818 43.818 44.629 -0.811 18250 3400 1 4 . 1 1 94 94 GLY H H 94 7.582 7.582 7.459 0.123 18250 3401 1 4 . 1 1 95 95 VAL N N 95 120.777 120.777 118.375 2.402 18250 3402 1 4 . 1 1 95 95 VAL HA H 95 3.545 3.545 3.374 0.171 18250 3403 1 4 . 1 1 95 95 VAL C C 95 174.452 174.452 174.667 -0.215 18250 3404 1 4 . 1 1 95 95 VAL CA C 95 62.875 62.875 63.590 -0.715 18250 3405 1 4 . 1 1 95 95 VAL CB C 95 32.148 32.148 31.391 0.757 18250 3406 1 4 . 1 1 95 95 VAL H H 95 8.293 8.293 7.042 1.251 18250 3407 1 4 . 1 1 96 96 ASN N N 96 116.198 116.198 126.225 -10.027 18250 3408 1 4 . 1 1 96 96 ASN HA H 96 4.070 4.070 4.444 -0.374 18250 3409 1 4 . 1 1 96 96 ASN C C 96 175.243 175.243 175.716 -0.473 18250 3410 1 4 . 1 1 96 96 ASN CA C 96 51.784 51.784 51.209 0.575 18250 3411 1 4 . 1 1 96 96 ASN CB C 96 39.849 39.849 40.579 -0.730 18250 3412 1 4 . 1 1 96 96 ASN H H 96 6.401 6.401 7.827 -1.426 18250 3413 1 4 . 1 1 97 97 TRP N N 97 118.776 118.776 121.871 -3.095 18250 3414 1 4 . 1 1 97 97 TRP HA H 97 4.588 4.588 4.508 0.080 18250 3415 1 4 . 1 1 97 97 TRP C C 97 178.207 178.207 178.128 0.079 18250 3416 1 4 . 1 1 97 97 TRP CA C 97 61.083 61.083 60.135 0.948 18250 3417 1 4 . 1 1 97 97 TRP CB C 97 30.676 30.676 29.494 1.182 18250 3418 1 4 . 1 1 97 97 TRP H H 97 8.530 8.530 8.889 -0.359 18250 3419 1 4 . 1 1 98 98 GLY N N 98 106.573 106.573 107.220 -0.647 18250 3420 1 4 . 1 1 98 98 GLY C C 98 177.485 177.485 176.015 1.470 18250 3421 1 4 . 1 1 98 98 GLY CA C 98 47.505 47.505 46.776 0.729 18250 3422 1 4 . 1 1 98 98 GLY H H 98 8.634 8.634 8.874 -0.240 18250 3423 1 4 . 1 1 99 99 ARG N N 99 121.627 121.627 121.755 -0.128 18250 3424 1 4 . 1 1 99 99 ARG HA H 99 3.999 3.999 4.103 -0.104 18250 3425 1 4 . 1 1 99 99 ARG C C 99 177.693 177.693 178.550 -0.857 18250 3426 1 4 . 1 1 99 99 ARG CA C 99 58.487 58.487 57.741 0.746 18250 3427 1 4 . 1 1 99 99 ARG CB C 99 31.363 31.363 29.590 1.773 18250 3428 1 4 . 1 1 99 99 ARG H H 99 8.214 8.214 7.782 0.432 18250 3429 1 4 . 1 1 100 100 ILE N N 100 121.379 121.379 120.231 1.148 18250 3430 1 4 . 1 1 100 100 ILE HA H 100 3.986 3.986 3.931 0.055 18250 3431 1 4 . 1 1 100 100 ILE C C 100 178.143 178.143 177.766 0.377 18250 3432 1 4 . 1 1 100 100 ILE CA C 100 67.148 67.148 64.855 2.293 18250 3433 1 4 . 1 1 100 100 ILE CB C 100 37.099 37.099 37.568 -0.469 18250 3434 1 4 . 1 1 100 100 ILE H H 100 7.810 7.810 7.162 0.648 18250 3435 1 4 . 1 1 101 101 VAL N N 101 121.444 121.444 120.130 1.314 18250 3436 1 4 . 1 1 101 101 VAL HA H 101 3.458 3.458 3.322 0.136 18250 3437 1 4 . 1 1 101 101 VAL C C 101 177.752 177.752 177.870 -0.118 18250 3438 1 4 . 1 1 101 101 VAL CA C 101 68.165 68.165 66.766 1.399 18250 3439 1 4 . 1 1 101 101 VAL CB C 101 31.423 31.423 31.181 0.242 18250 3440 1 4 . 1 1 101 101 VAL H H 101 8.378 8.378 7.377 1.001 18250 3441 1 4 . 1 1 102 102 ALA N N 102 121.864 121.864 122.354 -0.490 18250 3442 1 4 . 1 1 102 102 ALA HA H 102 3.174 3.174 3.374 -0.200 18250 3443 1 4 . 1 1 102 102 ALA C C 102 178.223 178.223 178.585 -0.362 18250 3444 1 4 . 1 1 102 102 ALA CA C 102 55.256 55.256 54.540 0.716 18250 3445 1 4 . 1 1 102 102 ALA CB C 102 18.631 18.631 17.489 1.142 18250 3446 1 4 . 1 1 102 102 ALA H H 102 7.693 7.693 7.743 -0.050 18250 3447 1 4 . 1 1 103 103 PHE N N 103 119.560 119.560 119.459 0.101 18250 3448 1 4 . 1 1 103 103 PHE HA H 103 3.986 3.986 4.090 -0.104 18250 3449 1 4 . 1 1 103 103 PHE C C 103 176.264 176.264 177.389 -1.125 18250 3450 1 4 . 1 1 103 103 PHE CA C 103 60.811 60.811 61.254 -0.443 18250 3451 1 4 . 1 1 103 103 PHE CB C 103 38.585 38.585 39.163 -0.578 18250 3452 1 4 . 1 1 103 103 PHE H H 103 8.096 8.096 8.033 0.063 18250 3453 1 4 . 1 1 104 104 PHE N N 104 120.694 120.694 117.185 3.509 18250 3454 1 4 . 1 1 104 104 PHE HA H 104 3.347 3.347 4.025 -0.678 18250 3455 1 4 . 1 1 104 104 PHE C C 104 177.604 177.604 177.926 -0.322 18250 3456 1 4 . 1 1 104 104 PHE CA C 104 62.995 62.995 59.792 3.203 18250 3457 1 4 . 1 1 104 104 PHE CB C 104 36.626 36.626 37.971 -1.345 18250 3458 1 4 . 1 1 104 104 PHE H H 104 8.087 8.087 8.502 -0.415 18250 3459 1 4 . 1 1 105 105 SER N N 105 114.775 114.775 116.085 -1.310 18250 3460 1 4 . 1 1 105 105 SER HA H 105 4.444 4.444 4.539 -0.095 18250 3461 1 4 . 1 1 105 105 SER C C 105 177.605 177.605 176.771 0.834 18250 3462 1 4 . 1 1 105 105 SER CA C 105 63.767 63.767 62.478 1.289 18250 3463 1 4 . 1 1 105 105 SER CB C 105 63.409 63.409 63.090 0.319 18250 3464 1 4 . 1 1 105 105 SER H H 105 8.514 8.514 8.331 0.183 18250 3465 1 4 . 1 1 106 106 PHE N N 106 124.632 124.632 122.133 2.499 18250 3466 1 4 . 1 1 106 106 PHE HA H 106 4.071 4.071 4.299 -0.228 18250 3467 1 4 . 1 1 106 106 PHE C C 106 176.639 176.639 178.423 -1.784 18250 3468 1 4 . 1 1 106 106 PHE CA C 106 60.185 60.185 59.814 0.371 18250 3469 1 4 . 1 1 106 106 PHE CB C 106 38.639 38.639 37.867 0.772 18250 3470 1 4 . 1 1 106 106 PHE H H 106 9.146 9.146 8.509 0.637 18250 3471 1 4 . 1 1 107 107 GLY N N 107 106.495 106.495 106.731 -0.236 18250 3472 1 4 . 1 1 107 107 GLY C C 107 176.647 176.647 176.355 0.292 18250 3473 1 4 . 1 1 107 107 GLY CA C 107 47.998 47.998 47.190 0.808 18250 3474 1 4 . 1 1 107 107 GLY H H 107 8.063 8.063 7.991 0.072 18250 3475 1 4 . 1 1 108 108 GLY N N 108 107.786 107.786 108.847 -1.061 18250 3476 1 4 . 1 1 108 108 GLY C C 108 174.589 174.589 175.285 -0.696 18250 3477 1 4 . 1 1 108 108 GLY CA C 108 47.931 47.931 46.668 1.263 18250 3478 1 4 . 1 1 108 108 GLY H H 108 8.900 8.900 8.178 0.722 18250 3479 1 4 . 1 1 109 109 ALA N N 109 124.959 124.959 124.008 0.951 18250 3480 1 4 . 1 1 109 109 ALA HA H 109 4.216 4.216 4.398 -0.182 18250 3481 1 4 . 1 1 109 109 ALA C C 109 181.113 181.113 179.090 2.023 18250 3482 1 4 . 1 1 109 109 ALA CA C 109 55.098 55.098 54.214 0.884 18250 3483 1 4 . 1 1 109 109 ALA CB C 109 18.418 18.418 19.262 -0.844 18250 3484 1 4 . 1 1 109 109 ALA H H 109 8.343 8.343 7.721 0.622 18250 3485 1 4 . 1 1 110 110 LEU N N 110 119.336 119.336 119.918 -0.582 18250 3486 1 4 . 1 1 110 110 LEU HA H 110 4.017 4.017 3.994 0.024 18250 3487 1 4 . 1 1 110 110 LEU C C 110 180.100 180.100 178.943 1.157 18250 3488 1 4 . 1 1 110 110 LEU CA C 110 57.400 57.400 58.243 -0.843 18250 3489 1 4 . 1 1 110 110 LEU CB C 110 42.562 42.562 41.889 0.673 18250 3490 1 4 . 1 1 110 110 LEU H H 110 8.296 8.296 8.654 -0.358 18250 3491 1 4 . 1 1 111 111 CYS N N 111 119.466 119.466 116.292 3.174 18250 3492 1 4 . 1 1 111 111 CYS HA H 111 3.818 3.818 4.055 -0.237 18250 3493 1 4 . 1 1 111 111 CYS C C 111 175.954 175.954 177.018 -1.064 18250 3494 1 4 . 1 1 111 111 CYS CA C 111 64.665 64.665 62.500 2.165 18250 3495 1 4 . 1 1 111 111 CYS CB C 111 26.724 26.724 26.546 0.178 18250 3496 1 4 . 1 1 111 111 CYS H H 111 8.207 8.207 8.719 -0.512 18250 3497 1 4 . 1 1 112 112 VAL N N 112 119.086 119.086 122.393 -3.307 18250 3498 1 4 . 1 1 112 112 VAL HA H 112 3.379 3.379 3.716 -0.337 18250 3499 1 4 . 1 1 112 112 VAL C C 112 177.356 177.356 177.940 -0.584 18250 3500 1 4 . 1 1 112 112 VAL CA C 112 67.316 67.316 66.309 1.007 18250 3501 1 4 . 1 1 112 112 VAL CB C 112 31.944 31.944 31.963 -0.019 18250 3502 1 4 . 1 1 112 112 VAL H H 112 8.110 8.110 7.512 0.598 18250 3503 1 4 . 1 1 113 113 GLU N N 113 119.448 119.448 119.422 0.026 18250 3504 1 4 . 1 1 113 113 GLU HA H 113 4.094 4.094 3.983 0.111 18250 3505 1 4 . 1 1 113 113 GLU C C 113 178.264 178.264 179.135 -0.871 18250 3506 1 4 . 1 1 113 113 GLU CA C 113 59.336 59.336 59.441 -0.105 18250 3507 1 4 . 1 1 113 113 GLU CB C 113 29.326 29.326 28.964 0.362 18250 3508 1 4 . 1 1 113 113 GLU H H 113 8.190 8.190 8.443 -0.253 18250 3509 1 4 . 1 1 114 114 SER N N 114 113.847 113.847 115.423 -1.576 18250 3510 1 4 . 1 1 114 114 SER HA H 114 3.886 3.886 4.221 -0.335 18250 3511 1 4 . 1 1 114 114 SER C C 114 175.485 175.485 176.018 -0.533 18250 3512 1 4 . 1 1 114 114 SER CA C 114 63.249 63.249 61.705 1.544 18250 3513 1 4 . 1 1 114 114 SER CB C 114 62.229 62.229 62.928 -0.699 18250 3514 1 4 . 1 1 114 114 SER H H 114 7.757 7.757 8.336 -0.579 18250 3515 1 4 . 1 1 115 115 VAL N N 115 121.093 121.093 120.795 0.298 18250 3516 1 4 . 1 1 115 115 VAL HA H 115 3.201 3.201 3.605 -0.404 18250 3517 1 4 . 1 1 115 115 VAL C C 115 179.471 179.471 178.374 1.097 18250 3518 1 4 . 1 1 115 115 VAL CA C 115 66.746 66.746 65.845 0.901 18250 3519 1 4 . 1 1 115 115 VAL CB C 115 31.412 31.412 31.092 0.320 18250 3520 1 4 . 1 1 115 115 VAL H H 115 7.423 7.423 7.460 -0.037 18250 3521 1 4 . 1 1 116 116 ASP N N 116 123.023 123.023 120.965 2.058 18250 3522 1 4 . 1 1 116 116 ASP HA H 116 4.398 4.398 4.457 -0.059 18250 3523 1 4 . 1 1 116 116 ASP C C 116 178.029 178.029 177.450 0.579 18250 3524 1 4 . 1 1 116 116 ASP CA C 116 57.471 57.471 56.539 0.932 18250 3525 1 4 . 1 1 116 116 ASP CB C 116 41.004 41.004 41.031 -0.027 18250 3526 1 4 . 1 1 116 116 ASP H H 116 8.365 8.365 8.176 0.189 18250 3527 1 4 . 1 1 117 117 LYS N N 117 116.212 116.212 118.040 -1.828 18250 3528 1 4 . 1 1 117 117 LYS HA H 117 4.384 4.384 4.334 0.050 18250 3529 1 4 . 1 1 117 117 LYS C C 117 175.049 175.049 175.657 -0.608 18250 3530 1 4 . 1 1 117 117 LYS CA C 117 55.685 55.685 56.288 -0.603 18250 3531 1 4 . 1 1 117 117 LYS CB C 117 32.317 32.317 32.516 -0.199 18250 3532 1 4 . 1 1 117 117 LYS H H 117 7.698 7.698 7.580 0.118 18250 3533 1 4 . 1 1 118 118 GLU N N 118 114.271 114.271 114.599 -0.328 18250 3534 1 4 . 1 1 118 118 GLU HA H 118 3.973 3.973 3.902 0.071 18250 3535 1 4 . 1 1 118 118 GLU C C 118 176.065 176.065 175.795 0.270 18250 3536 1 4 . 1 1 118 118 GLU CA C 118 57.766 57.766 58.296 -0.530 18250 3537 1 4 . 1 1 118 118 GLU CB C 118 26.540 26.540 27.353 -0.813 18250 3538 1 4 . 1 1 118 118 GLU H H 118 7.959 7.959 8.192 -0.233 18250 3539 1 4 . 1 1 119 119 MET N N 119 119.260 119.260 118.655 0.605 18250 3540 1 4 . 1 1 119 119 MET HA H 119 4.822 4.822 4.629 0.193 18250 3541 1 4 . 1 1 119 119 MET C C 119 176.817 176.817 175.824 0.993 18250 3542 1 4 . 1 1 119 119 MET CA C 119 53.675 53.675 54.339 -0.664 18250 3543 1 4 . 1 1 119 119 MET CB C 119 31.867 31.867 31.139 0.728 18250 3544 1 4 . 1 1 119 119 MET H H 119 8.542 8.542 8.512 0.030 18250 3545 1 4 . 1 1 120 120 GLN N N 120 119.766 119.766 120.120 -0.354 18250 3546 1 4 . 1 1 120 120 GLN HA H 120 3.489 3.489 3.795 -0.306 18250 3547 1 4 . 1 1 120 120 GLN C C 120 177.471 177.471 177.042 0.429 18250 3548 1 4 . 1 1 120 120 GLN CA C 120 60.166 60.166 58.157 2.009 18250 3549 1 4 . 1 1 120 120 GLN CB C 120 27.667 27.667 28.730 -1.063 18250 3550 1 4 . 1 1 120 120 GLN H H 120 8.796 8.796 8.002 0.794 18250 3551 1 4 . 1 1 121 121 VAL N N 121 117.292 117.292 112.224 5.068 18250 3552 1 4 . 1 1 121 121 VAL HA H 121 4.056 4.056 4.036 0.020 18250 3553 1 4 . 1 1 121 121 VAL C C 121 175.676 175.676 176.465 -0.789 18250 3554 1 4 . 1 1 121 121 VAL CA C 121 63.612 63.612 63.627 -0.014 18250 3555 1 4 . 1 1 121 121 VAL CB C 121 31.494 31.494 31.819 -0.325 18250 3556 1 4 . 1 1 121 121 VAL H H 121 7.959 7.959 7.745 0.214 18250 3557 1 4 . 1 1 122 122 LEU N N 122 117.436 117.436 120.825 -3.389 18250 3558 1 4 . 1 1 122 122 LEU HA H 122 3.872 3.872 4.036 -0.164 18250 3559 1 4 . 1 1 122 122 LEU C C 122 177.962 177.962 178.428 -0.466 18250 3560 1 4 . 1 1 122 122 LEU CA C 122 55.528 55.528 57.601 -2.073 18250 3561 1 4 . 1 1 122 122 LEU CB C 122 41.369 41.369 41.299 0.070 18250 3562 1 4 . 1 1 122 122 LEU H H 122 7.887 7.887 7.218 0.669 18250 3563 1 4 . 1 1 123 123 VAL N N 123 120.028 120.028 119.539 0.489 18250 3564 1 4 . 1 1 123 123 VAL HA H 123 3.379 3.379 3.496 -0.117 18250 3565 1 4 . 1 1 123 123 VAL C C 123 177.040 177.040 177.112 -0.072 18250 3566 1 4 . 1 1 123 123 VAL CA C 123 67.817 67.817 66.177 1.640 18250 3567 1 4 . 1 1 123 123 VAL CB C 123 30.889 30.889 31.093 -0.204 18250 3568 1 4 . 1 1 123 123 VAL H H 123 7.444 7.444 7.402 0.042 18250 3569 1 4 . 1 1 124 124 SER N N 124 111.168 111.168 113.718 -2.550 18250 3570 1 4 . 1 1 124 124 SER HA H 124 3.979 3.979 4.229 -0.250 18250 3571 1 4 . 1 1 124 124 SER C C 124 177.070 177.070 176.208 0.862 18250 3572 1 4 . 1 1 124 124 SER CA C 124 61.254 61.254 61.216 0.038 18250 3573 1 4 . 1 1 124 124 SER CB C 124 62.403 62.403 62.904 -0.501 18250 3574 1 4 . 1 1 124 124 SER H H 124 8.394 8.394 7.426 0.968 18250 3575 1 4 . 1 1 125 125 ARG N N 125 123.526 123.526 121.242 2.284 18250 3576 1 4 . 1 1 125 125 ARG HA H 125 3.710 3.710 3.654 0.056 18250 3577 1 4 . 1 1 125 125 ARG C C 125 175.751 175.751 177.734 -1.983 18250 3578 1 4 . 1 1 125 125 ARG CA C 125 58.738 58.738 58.610 0.128 18250 3579 1 4 . 1 1 125 125 ARG CB C 125 29.845 29.845 29.440 0.405 18250 3580 1 4 . 1 1 125 125 ARG H H 125 6.696 6.696 7.098 -0.402 18250 3581 1 4 . 1 1 126 126 ILE N N 126 118.795 118.795 119.970 -1.175 18250 3582 1 4 . 1 1 126 126 ILE HA H 126 2.855 2.855 3.075 -0.220 18250 3583 1 4 . 1 1 126 126 ILE C C 126 177.974 177.974 177.221 0.753 18250 3584 1 4 . 1 1 126 126 ILE CA C 126 64.959 64.959 64.945 0.014 18250 3585 1 4 . 1 1 126 126 ILE CB C 126 37.666 37.666 37.393 0.273 18250 3586 1 4 . 1 1 126 126 ILE H H 126 8.124 8.124 7.843 0.281 18250 3587 1 4 . 1 1 127 127 ALA N N 127 119.674 119.674 121.177 -1.503 18250 3588 1 4 . 1 1 127 127 ALA HA H 127 3.902 3.902 3.819 0.083 18250 3589 1 4 . 1 1 127 127 ALA C C 127 179.395 179.395 179.119 0.276 18250 3590 1 4 . 1 1 127 127 ALA CA C 127 55.287 55.287 55.030 0.257 18250 3591 1 4 . 1 1 127 127 ALA CB C 127 18.520 18.520 17.965 0.555 18250 3592 1 4 . 1 1 127 127 ALA H H 127 7.711 7.711 7.475 0.236 18250 3593 1 4 . 1 1 128 128 ALA N N 128 120.850 120.850 121.705 -0.855 18250 3594 1 4 . 1 1 128 128 ALA HA H 128 4.173 4.173 4.088 0.085 18250 3595 1 4 . 1 1 128 128 ALA C C 128 181.038 181.038 179.654 1.384 18250 3596 1 4 . 1 1 128 128 ALA CA C 128 55.261 55.261 54.896 0.365 18250 3597 1 4 . 1 1 128 128 ALA CB C 128 17.822 17.822 18.155 -0.333 18250 3598 1 4 . 1 1 128 128 ALA H H 128 7.356 7.356 7.322 0.034 18250 3599 1 4 . 1 1 129 129 TRP N N 129 121.648 121.648 118.996 2.652 18250 3600 1 4 . 1 1 129 129 TRP C C 129 179.558 179.558 178.968 0.590 18250 3601 1 4 . 1 1 129 129 TRP CA C 129 57.788 57.788 59.153 -1.365 18250 3602 1 4 . 1 1 129 129 TRP CB C 129 28.918 28.918 28.238 0.680 18250 3603 1 4 . 1 1 129 129 TRP H H 129 9.087 9.087 8.156 0.931 18250 3604 1 4 . 1 1 130 130 MET N N 130 117.535 117.535 118.323 -0.788 18250 3605 1 4 . 1 1 130 130 MET HA H 130 4.345 4.345 4.668 -0.323 18250 3606 1 4 . 1 1 130 130 MET C C 130 178.170 178.170 178.755 -0.585 18250 3607 1 4 . 1 1 130 130 MET CA C 130 60.179 60.179 59.773 0.406 18250 3608 1 4 . 1 1 130 130 MET CB C 130 34.928 34.928 32.195 2.733 18250 3609 1 4 . 1 1 130 130 MET H H 130 9.031 9.031 8.556 0.475 18250 3610 1 4 . 1 1 131 131 ALA N N 131 120.973 120.973 121.986 -1.013 18250 3611 1 4 . 1 1 131 131 ALA HA H 131 4.100 4.100 4.083 0.017 18250 3612 1 4 . 1 1 131 131 ALA C C 131 176.249 176.249 179.615 -3.366 18250 3613 1 4 . 1 1 131 131 ALA CA C 131 56.176 56.176 55.529 0.646 18250 3614 1 4 . 1 1 131 131 ALA CB C 131 17.634 17.634 18.074 -0.440 18250 3615 1 4 . 1 1 131 131 ALA H H 131 8.274 8.274 8.505 -0.231 18250 3616 1 4 . 1 1 132 132 THR N N 132 117.211 117.211 117.147 0.064 18250 3617 1 4 . 1 1 132 132 THR HA H 132 3.959 3.959 3.949 0.010 18250 3618 1 4 . 1 1 132 132 THR C C 132 175.035 175.035 176.292 -1.257 18250 3619 1 4 . 1 1 132 132 THR CA C 132 67.312 67.312 67.576 -0.264 18250 3620 1 4 . 1 1 132 132 THR CB C 132 69.177 69.177 68.616 0.561 18250 3621 1 4 . 1 1 132 132 THR H H 132 8.648 8.648 8.162 0.486 18250 3622 1 4 . 1 1 133 133 TYR N N 133 123.705 123.705 124.142 -0.437 18250 3623 1 4 . 1 1 133 133 TYR HA H 133 4.018 4.018 4.435 -0.417 18250 3624 1 4 . 1 1 133 133 TYR C C 133 179.551 179.551 177.853 1.698 18250 3625 1 4 . 1 1 133 133 TYR CA C 133 63.577 63.577 61.964 1.613 18250 3626 1 4 . 1 1 133 133 TYR CB C 133 39.312 39.312 38.699 0.613 18250 3627 1 4 . 1 1 133 133 TYR H H 133 8.964 8.964 8.632 0.332 18250 3628 1 4 . 1 1 134 134 LEU N N 134 119.671 119.671 120.399 -0.728 18250 3629 1 4 . 1 1 134 134 LEU HA H 134 3.832 3.832 3.956 -0.124 18250 3630 1 4 . 1 1 134 134 LEU C C 134 178.321 178.321 178.398 -0.077 18250 3631 1 4 . 1 1 134 134 LEU CA C 134 59.586 59.586 58.362 1.224 18250 3632 1 4 . 1 1 134 134 LEU CB C 134 42.898 42.898 42.052 0.846 18250 3633 1 4 . 1 1 134 134 LEU H H 134 8.853 8.853 8.784 0.069 18250 3634 1 4 . 1 1 135 135 ASN N N 135 117.661 117.661 116.136 1.525 18250 3635 1 4 . 1 1 135 135 ASN HA H 135 4.353 4.353 4.554 -0.201 18250 3636 1 4 . 1 1 135 135 ASN C C 135 176.407 176.407 176.827 -0.420 18250 3637 1 4 . 1 1 135 135 ASN CA C 135 56.883 56.883 56.203 0.680 18250 3638 1 4 . 1 1 135 135 ASN CB C 135 39.219 39.219 38.554 0.665 18250 3639 1 4 . 1 1 135 135 ASN H H 135 8.455 8.455 8.607 -0.152 18250 3640 1 4 . 1 1 136 136 ASP N N 136 115.939 115.939 117.922 -1.983 18250 3641 1 4 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.493 -0.158 18250 3642 1 4 . 1 1 136 136 ASP C C 136 177.798 177.798 177.739 0.059 18250 3643 1 4 . 1 1 136 136 ASP CA C 136 56.501 56.501 56.498 0.003 18250 3644 1 4 . 1 1 136 136 ASP CB C 136 40.861 40.861 41.241 -0.380 18250 3645 1 4 . 1 1 136 136 ASP H H 136 8.580 8.580 8.308 0.272 18250 3646 1 4 . 1 1 137 137 HIS N N 137 112.071 112.071 117.410 -5.339 18250 3647 1 4 . 1 1 137 137 HIS HA H 137 4.552 4.552 4.312 0.240 18250 3648 1 4 . 1 1 137 137 HIS C C 137 175.780 175.780 176.764 -0.984 18250 3649 1 4 . 1 1 137 137 HIS CA C 137 56.529 56.529 58.111 -1.582 18250 3650 1 4 . 1 1 137 137 HIS CB C 137 30.890 30.890 30.680 0.210 18250 3651 1 4 . 1 1 137 137 HIS H H 137 8.202 8.202 7.524 0.678 18250 3652 1 4 . 1 1 138 138 LEU N N 138 117.363 117.363 120.795 -3.432 18250 3653 1 4 . 1 1 138 138 LEU HA H 138 4.550 4.550 4.238 0.312 18250 3654 1 4 . 1 1 138 138 LEU C C 138 176.369 176.369 177.872 -1.503 18250 3655 1 4 . 1 1 138 138 LEU CA C 138 55.696 55.696 56.737 -1.041 18250 3656 1 4 . 1 1 138 138 LEU CB C 138 43.465 43.465 42.056 1.409 18250 3657 1 4 . 1 1 138 138 LEU H H 138 7.306 7.306 8.078 -0.772 18250 3658 1 4 . 1 1 139 139 GLU N N 139 121.917 121.917 120.326 1.591 18250 3659 1 4 . 1 1 139 139 GLU HA H 139 4.351 4.351 4.029 0.322 18250 3660 1 4 . 1 1 139 139 GLU C C 139 173.816 173.816 175.724 -1.908 18250 3661 1 4 . 1 1 139 139 GLU CA C 139 60.529 60.529 61.851 -1.322 18250 3662 1 4 . 1 1 139 139 GLU CB C 139 27.774 27.774 27.532 0.242 18250 3663 1 4 . 1 1 139 139 GLU H H 139 8.706 8.706 8.591 0.115 18250 3664 1 4 . 1 1 140 140 PRO HA H 140 4.234 4.234 4.209 0.025 18250 3665 1 4 . 1 1 140 140 PRO C C 140 179.159 179.159 178.818 0.341 18250 3666 1 4 . 1 1 140 140 PRO CA C 140 66.582 66.582 65.737 0.845 18250 3667 1 4 . 1 1 140 140 PRO CB C 140 30.747 30.747 31.447 -0.700 18250 3668 1 4 . 1 1 141 141 TRP N N 141 118.367 118.367 119.216 -0.849 18250 3669 1 4 . 1 1 141 141 TRP HA H 141 3.855 3.855 4.354 -0.499 18250 3670 1 4 . 1 1 141 141 TRP C C 141 179.411 179.411 177.475 1.936 18250 3671 1 4 . 1 1 141 141 TRP CA C 141 62.205 62.205 61.201 1.004 18250 3672 1 4 . 1 1 141 141 TRP CB C 141 28.928 28.928 29.740 -0.812 18250 3673 1 4 . 1 1 141 141 TRP H H 141 7.195 7.195 7.567 -0.372 18250 3674 1 4 . 1 1 142 142 ILE N N 142 122.553 122.553 120.111 2.442 18250 3675 1 4 . 1 1 142 142 ILE HA H 142 2.891 2.891 3.267 -0.376 18250 3676 1 4 . 1 1 142 142 ILE C C 142 178.924 178.924 178.082 0.842 18250 3677 1 4 . 1 1 142 142 ILE CA C 142 66.241 66.241 65.501 0.740 18250 3678 1 4 . 1 1 142 142 ILE CB C 142 38.314 38.314 37.492 0.822 18250 3679 1 4 . 1 1 142 142 ILE H H 142 8.511 8.511 8.090 0.421 18250 3680 1 4 . 1 1 143 143 GLN N N 143 116.777 116.777 117.731 -0.954 18250 3681 1 4 . 1 1 143 143 GLN HA H 143 3.920 3.920 3.977 -0.057 18250 3682 1 4 . 1 1 143 143 GLN C C 143 179.455 179.455 178.454 1.001 18250 3683 1 4 . 1 1 143 143 GLN CA C 143 58.567 58.567 58.499 0.068 18250 3684 1 4 . 1 1 143 143 GLN CB C 143 28.068 28.068 28.081 -0.013 18250 3685 1 4 . 1 1 143 143 GLN H H 143 8.514 8.514 8.324 0.190 18250 3686 1 4 . 1 1 144 144 GLU N N 144 119.467 119.467 119.467 0.000 18250 3687 1 4 . 1 1 144 144 GLU HA H 144 4.084 4.084 4.024 0.060 18250 3688 1 4 . 1 1 144 144 GLU C C 144 176.785 176.785 177.936 -1.151 18250 3689 1 4 . 1 1 144 144 GLU CA C 144 57.902 57.902 58.404 -0.502 18250 3690 1 4 . 1 1 144 144 GLU CB C 144 29.915 29.915 29.376 0.539 18250 3691 1 4 . 1 1 144 144 GLU H H 144 7.646 7.646 7.663 -0.017 18250 3692 1 4 . 1 1 145 145 ASN N N 145 116.904 116.904 114.516 2.388 18250 3693 1 4 . 1 1 145 145 ASN HA H 145 4.454 4.454 4.562 -0.108 18250 3694 1 4 . 1 1 145 145 ASN C C 145 173.890 173.890 175.165 -1.275 18250 3695 1 4 . 1 1 145 145 ASN CA C 145 53.652 53.652 53.287 0.365 18250 3696 1 4 . 1 1 145 145 ASN CB C 145 38.204 38.204 38.834 -0.630 18250 3697 1 4 . 1 1 145 145 ASN H H 145 7.195 7.195 7.343 -0.148 18250 3698 1 4 . 1 1 146 146 GLY N N 146 105.175 105.175 106.504 -1.329 18250 3699 1 4 . 1 1 146 146 GLY C C 146 175.977 175.977 173.910 2.067 18250 3700 1 4 . 1 1 146 146 GLY CA C 146 45.723 45.723 44.797 0.926 18250 3701 1 4 . 1 1 146 146 GLY H H 146 7.438 7.438 7.716 -0.279 18250 3702 1 4 . 1 1 147 147 GLY N N 147 108.769 108.769 107.988 0.781 18250 3703 1 4 . 1 1 147 147 GLY C C 147 173.367 173.367 174.643 -1.276 18250 3704 1 4 . 1 1 147 147 GLY CA C 147 44.532 44.532 44.451 0.081 18250 3705 1 4 . 1 1 147 147 GLY H H 147 8.580 8.580 7.667 0.913 18250 3706 1 4 . 1 1 148 148 TRP N N 148 118.433 118.433 122.286 -3.853 18250 3707 1 4 . 1 1 148 148 TRP HA H 148 4.431 4.431 4.458 -0.027 18250 3708 1 4 . 1 1 148 148 TRP C C 148 178.434 178.434 177.500 0.934 18250 3709 1 4 . 1 1 148 148 TRP CA C 148 60.558 60.558 60.176 0.382 18250 3710 1 4 . 1 1 148 148 TRP CB C 148 29.872 29.872 29.591 0.281 18250 3711 1 4 . 1 1 148 148 TRP H H 148 8.715 8.715 8.741 -0.026 18250 3712 1 4 . 1 1 149 149 ASP N N 149 118.214 118.214 116.832 1.382 18250 3713 1 4 . 1 1 149 149 ASP HA H 149 4.446 4.446 4.465 -0.019 18250 3714 1 4 . 1 1 149 149 ASP C C 149 179.629 179.629 177.908 1.721 18250 3715 1 4 . 1 1 149 149 ASP CA C 149 57.850 57.850 56.743 1.107 18250 3716 1 4 . 1 1 149 149 ASP CB C 149 40.379 40.379 39.699 0.680 18250 3717 1 4 . 1 1 149 149 ASP H H 149 8.897 8.897 8.737 0.160 18250 3718 1 4 . 1 1 150 150 THR N N 150 117.183 117.183 116.537 0.646 18250 3719 1 4 . 1 1 150 150 THR HA H 150 4.010 4.010 4.008 0.002 18250 3720 1 4 . 1 1 150 150 THR C C 150 175.220 175.220 175.789 -0.569 18250 3721 1 4 . 1 1 150 150 THR CA C 150 66.376 66.376 65.845 0.531 18250 3722 1 4 . 1 1 150 150 THR CB C 150 68.344 68.344 68.581 -0.237 18250 3723 1 4 . 1 1 150 150 THR H H 150 7.632 7.632 7.503 0.129 18250 3724 1 4 . 1 1 151 151 PHE N N 151 122.603 122.603 122.154 0.449 18250 3725 1 4 . 1 1 151 151 PHE HA H 151 4.423 4.423 3.520 0.903 18250 3726 1 4 . 1 1 151 151 PHE C C 151 176.703 176.703 177.094 -0.391 18250 3727 1 4 . 1 1 151 151 PHE CA C 151 61.847 61.847 60.716 1.131 18250 3728 1 4 . 1 1 151 151 PHE CB C 151 37.952 37.952 38.700 -0.749 18250 3729 1 4 . 1 1 151 151 PHE H H 151 6.638 6.638 7.087 -0.449 18250 3730 1 4 . 1 1 152 152 VAL N N 152 117.675 117.675 117.884 -0.209 18250 3731 1 4 . 1 1 152 152 VAL HA H 152 3.065 3.065 3.454 -0.389 18250 3732 1 4 . 1 1 152 152 VAL C C 152 178.313 178.313 178.228 0.085 18250 3733 1 4 . 1 1 152 152 VAL CA C 152 66.780 66.780 66.691 0.089 18250 3734 1 4 . 1 1 152 152 VAL CB C 152 31.889 31.889 31.422 0.467 18250 3735 1 4 . 1 1 152 152 VAL H H 152 7.840 7.840 8.576 -0.736 18250 3736 1 4 . 1 1 153 153 GLU N N 153 120.159 120.159 120.418 -0.259 18250 3737 1 4 . 1 1 153 153 GLU HA H 153 3.925 3.925 4.022 -0.097 18250 3738 1 4 . 1 1 153 153 GLU C C 153 178.157 178.157 179.251 -1.094 18250 3739 1 4 . 1 1 153 153 GLU CA C 153 59.292 59.292 58.985 0.307 18250 3740 1 4 . 1 1 153 153 GLU CB C 153 29.569 29.569 29.379 0.190 18250 3741 1 4 . 1 1 153 153 GLU H H 153 7.484 7.484 7.535 -0.051 18250 3742 1 4 . 1 1 154 154 LEU N N 154 117.518 117.518 120.196 -2.678 18250 3743 1 4 . 1 1 154 154 LEU HA H 154 4.054 4.054 3.844 0.210 18250 3744 1 4 . 1 1 154 154 LEU C C 154 178.563 178.563 177.639 0.924 18250 3745 1 4 . 1 1 154 154 LEU CA C 154 56.844 56.844 57.072 -0.228 18250 3746 1 4 . 1 1 154 154 LEU CB C 154 43.739 43.739 41.883 1.855 18250 3747 1 4 . 1 1 154 154 LEU H H 154 7.701 7.701 7.349 0.352 18250 3748 1 4 . 1 1 155 155 TYR N N 155 116.466 116.466 115.100 1.366 18250 3749 1 4 . 1 1 155 155 TYR HA H 155 4.227 4.227 4.555 -0.328 18250 3750 1 4 . 1 1 155 155 TYR C C 155 176.835 176.835 175.216 1.619 18250 3751 1 4 . 1 1 155 155 TYR CA C 155 59.639 59.639 56.692 2.947 18250 3752 1 4 . 1 1 155 155 TYR CB C 155 38.891 38.891 38.199 0.692 18250 3753 1 4 . 1 1 155 155 TYR H H 155 8.210 8.210 7.163 1.047 18250 3754 1 4 . 1 1 156 156 GLY N N 156 108.677 108.677 109.043 -0.366 18250 3755 1 4 . 1 1 156 156 GLY C C 156 173.893 173.893 174.539 -0.646 18250 3756 1 4 . 1 1 156 156 GLY CA C 156 45.627 45.627 44.586 1.041 18250 3757 1 4 . 1 1 156 156 GLY H H 156 8.125 8.125 7.541 0.584 18250 3758 1 4 . 1 1 157 157 ASN N N 157 118.537 118.537 125.888 -7.351 18250 3759 1 4 . 1 1 157 157 ASN HA H 157 4.640 4.640 4.401 0.239 18250 3760 1 4 . 1 1 157 157 ASN C C 157 175.436 175.436 176.726 -1.290 18250 3761 1 4 . 1 1 157 157 ASN CA C 157 53.482 53.482 56.301 -2.819 18250 3762 1 4 . 1 1 157 157 ASN CB C 157 38.726 38.726 38.475 0.251 18250 3763 1 4 . 1 1 157 157 ASN H H 157 8.429 8.429 8.371 0.058 18250 3764 1 4 . 1 1 158 158 ASN N N 158 119.251 119.251 118.772 0.479 18250 3765 1 4 . 1 1 158 158 ASN HA H 158 4.634 4.634 4.543 0.091 18250 3766 1 4 . 1 1 158 158 ASN C C 158 175.574 175.574 176.725 -1.151 18250 3767 1 4 . 1 1 158 158 ASN CA C 158 53.845 53.845 56.140 -2.295 18250 3768 1 4 . 1 1 158 158 ASN CB C 158 38.841 38.841 37.519 1.322 18250 3769 1 4 . 1 1 158 158 ASN H H 158 8.444 8.444 8.373 0.071 18250 3770 1 4 . 1 1 159 159 ALA N N 159 123.557 123.557 122.919 0.638 18250 3771 1 4 . 1 1 159 159 ALA HA H 159 4.185 4.185 4.091 0.094 18250 3772 1 4 . 1 1 159 159 ALA C C 159 178.451 178.451 179.243 -0.792 18250 3773 1 4 . 1 1 159 159 ALA CA C 159 53.732 53.732 54.765 -1.033 18250 3774 1 4 . 1 1 159 159 ALA CB C 159 18.793 18.793 18.263 0.530 18250 3775 1 4 . 1 1 159 159 ALA H H 159 8.216 8.216 8.029 0.187 18250 3776 1 4 . 1 1 160 160 ALA N N 160 121.918 121.918 120.594 1.324 18250 3777 1 4 . 1 1 160 160 ALA HA H 160 4.236 4.236 3.977 0.259 18250 3778 1 4 . 1 1 160 160 ALA C C 160 178.493 178.493 179.536 -1.043 18250 3779 1 4 . 1 1 160 160 ALA CA C 160 53.131 53.131 54.857 -1.726 18250 3780 1 4 . 1 1 160 160 ALA CB C 160 18.623 18.623 18.306 0.317 18250 3781 1 4 . 1 1 160 160 ALA H H 160 8.159 8.159 8.120 0.039 18250 3782 1 4 . 1 1 161 161 ALA N N 161 122.552 122.552 120.045 2.507 18250 3783 1 4 . 1 1 161 161 ALA HA H 161 4.160 4.160 3.899 0.261 18250 3784 1 4 . 1 1 161 161 ALA C C 161 178.993 178.993 179.024 -0.031 18250 3785 1 4 . 1 1 161 161 ALA CA C 161 53.807 53.807 54.768 -0.961 18250 3786 1 4 . 1 1 161 161 ALA CB C 161 18.845 18.845 18.316 0.529 18250 3787 1 4 . 1 1 161 161 ALA H H 161 8.054 8.054 7.969 0.085 18250 3788 1 4 . 1 1 162 162 GLU N N 162 118.709 118.709 118.909 -0.200 18250 3789 1 4 . 1 1 162 162 GLU HA H 162 4.175 4.175 4.052 0.123 18250 3790 1 4 . 1 1 162 162 GLU C C 162 177.630 177.630 179.284 -1.654 18250 3791 1 4 . 1 1 162 162 GLU CA C 162 57.788 57.788 59.232 -1.444 18250 3792 1 4 . 1 1 162 162 GLU CB C 162 29.767 29.767 29.742 0.025 18250 3793 1 4 . 1 1 162 162 GLU H H 162 8.330 8.330 8.267 0.063 18250 3794 1 4 . 1 1 163 163 SER N N 163 115.336 115.336 115.419 -0.083 18250 3795 1 4 . 1 1 163 163 SER HA H 163 4.378 4.378 4.245 0.133 18250 3796 1 4 . 1 1 163 163 SER C C 163 175.241 175.241 176.685 -1.444 18250 3797 1 4 . 1 1 163 163 SER CA C 163 59.419 59.419 60.990 -1.571 18250 3798 1 4 . 1 1 163 163 SER CB C 163 63.456 63.456 62.460 0.996 18250 3799 1 4 . 1 1 163 163 SER H H 163 8.122 8.122 8.533 -0.411 18250 3800 1 4 . 1 1 164 164 ARG N N 164 121.905 121.905 122.755 -0.850 18250 3801 1 4 . 1 1 164 164 ARG HA H 164 4.328 4.328 4.008 0.320 18250 3802 1 4 . 1 1 164 164 ARG C C 164 176.812 176.812 177.259 -0.447 18250 3803 1 4 . 1 1 164 164 ARG CA C 164 56.772 56.772 59.075 -2.303 18250 3804 1 4 . 1 1 164 164 ARG CB C 164 30.508 30.508 29.902 0.606 18250 3805 1 4 . 1 1 164 164 ARG H H 164 8.054 8.054 7.677 0.377 18250 3806 1 4 . 1 1 165 165 LYS N N 165 121.165 121.165 118.108 3.057 18250 3807 1 4 . 1 1 165 165 LYS HA H 165 4.247 4.247 4.108 0.139 18250 3808 1 4 . 1 1 165 165 LYS C C 165 177.580 177.580 178.829 -1.249 18250 3809 1 4 . 1 1 165 165 LYS CA C 165 57.272 57.272 59.091 -1.819 18250 3810 1 4 . 1 1 165 165 LYS CB C 165 32.845 32.845 31.658 1.187 18250 3811 1 4 . 1 1 165 165 LYS H H 165 8.111 8.111 7.853 0.258 18250 3812 1 4 . 1 1 166 166 GLY N N 166 109.466 109.466 108.974 0.492 18250 3813 1 4 . 1 1 166 166 GLY C C 166 174.696 174.696 175.491 -0.795 18250 3814 1 4 . 1 1 166 166 GLY CA C 166 45.691 45.691 46.784 -1.093 18250 3815 1 4 . 1 1 166 166 GLY H H 166 8.444 8.444 7.919 0.525 18250 3816 1 4 . 1 1 167 167 GLN N N 167 119.704 119.704 121.852 -2.148 18250 3817 1 4 . 1 1 167 167 GLN HA H 167 4.342 4.342 3.945 0.397 18250 3818 1 4 . 1 1 167 167 GLN C C 167 176.093 176.093 177.913 -1.820 18250 3819 1 4 . 1 1 167 167 GLN CA C 167 56.161 56.161 58.969 -2.808 18250 3820 1 4 . 1 1 167 167 GLN CB C 167 29.403 29.403 28.608 0.795 18250 3821 1 4 . 1 1 167 167 GLN H H 167 8.143 8.143 7.620 0.523 18250 3822 1 4 . 1 1 168 168 GLU N N 168 121.765 121.765 119.334 2.431 18250 3823 1 4 . 1 1 168 168 GLU HA H 168 4.224 4.224 4.030 0.194 18250 3824 1 4 . 1 1 168 168 GLU C C 168 176.750 176.750 178.997 -2.247 18250 3825 1 4 . 1 1 168 168 GLU CA C 168 57.344 57.344 59.410 -2.067 18250 3826 1 4 . 1 1 168 168 GLU CB C 168 29.990 29.990 29.354 0.636 18250 3827 1 4 . 1 1 168 168 GLU H H 168 8.526 8.526 8.273 0.253 18250 3828 1 4 . 1 1 169 169 ARG N N 169 121.114 121.114 116.360 4.754 18250 3829 1 4 . 1 1 169 169 ARG HA H 169 4.291 4.291 4.161 0.130 18250 3830 1 4 . 1 1 169 169 ARG C C 169 177.587 177.587 177.589 -0.002 18250 3831 1 4 . 1 1 169 169 ARG CA C 169 56.338 56.338 57.822 -1.484 18250 3832 1 4 . 1 1 169 169 ARG CB C 169 30.516 30.516 30.375 0.141 18250 3833 1 4 . 1 1 169 169 ARG H H 169 8.284 8.284 7.514 0.770 18250 3834 1 4 . 1 1 170 170 LEU N N 170 122.853 122.853 119.448 3.405 18250 3835 1 4 . 1 1 170 170 LEU HA H 170 4.399 4.399 4.104 0.295 18250 3836 1 4 . 1 1 170 170 LEU C C 170 177.364 177.364 177.794 -0.430 18250 3837 1 4 . 1 1 170 170 LEU CA C 170 55.290 55.290 56.800 -1.510 18250 3838 1 4 . 1 1 170 170 LEU CB C 170 42.424 42.424 42.285 0.139 18250 3839 1 4 . 1 1 170 170 LEU H H 170 8.181 8.181 8.076 0.105 18250 3840 1 4 . 1 1 171 171 GLU N N 171 120.823 120.823 116.512 4.311 18250 3841 1 4 . 1 1 171 171 GLU C C 171 176.255 176.255 176.501 -0.246 18250 3842 1 4 . 1 1 171 171 GLU CA C 171 56.725 56.725 56.568 0.157 18250 3843 1 4 . 1 1 171 171 GLU CB C 171 30.289 30.289 29.656 0.633 18250 3844 1 4 . 1 1 171 171 GLU H H 171 8.352 8.352 7.891 0.461 18250 3845 1 5 . 1 1 2 2 SER N N 2 122.263 122.263 116.316 5.947 18250 3846 1 5 . 1 1 2 2 SER HA H 2 4.270 4.270 4.460 -0.190 18250 3847 1 5 . 1 1 2 2 SER CA C 2 59.961 59.961 61.086 -1.125 18250 3848 1 5 . 1 1 2 2 SER CB C 2 64.958 64.958 62.851 2.107 18250 3849 1 5 . 1 1 2 2 SER H H 2 7.955 7.955 8.544 -0.589 18250 3850 1 5 . 1 1 3 3 GLN HA H 3 4.387 4.387 4.226 0.161 18250 3851 1 5 . 1 1 3 3 GLN C C 3 179.078 179.078 178.211 0.867 18250 3852 1 5 . 1 1 3 3 GLN CA C 3 56.616 56.616 58.810 -2.194 18250 3853 1 5 . 1 1 3 3 GLN CB C 3 29.224 29.224 28.348 0.876 18250 3854 1 5 . 1 1 4 4 SER N N 4 117.102 117.102 113.061 4.041 18250 3855 1 5 . 1 1 4 4 SER HA H 4 4.465 4.465 4.644 -0.179 18250 3856 1 5 . 1 1 4 4 SER C C 4 175.930 175.930 176.310 -0.380 18250 3857 1 5 . 1 1 4 4 SER CA C 4 58.994 58.994 60.185 -1.191 18250 3858 1 5 . 1 1 4 4 SER CB C 4 63.490 63.490 62.979 0.511 18250 3859 1 5 . 1 1 4 4 SER H H 4 8.647 8.647 8.243 0.404 18250 3860 1 5 . 1 1 5 5 ASN N N 5 122.476 122.476 121.394 1.082 18250 3861 1 5 . 1 1 5 5 ASN HA H 5 4.744 4.744 4.660 0.084 18250 3862 1 5 . 1 1 5 5 ASN C C 5 177.378 177.378 177.487 -0.109 18250 3863 1 5 . 1 1 5 5 ASN CA C 5 56.150 56.150 55.817 0.333 18250 3864 1 5 . 1 1 5 5 ASN CB C 5 38.363 38.363 38.469 -0.106 18250 3865 1 5 . 1 1 5 5 ASN H H 5 8.603 8.603 8.494 0.109 18250 3866 1 5 . 1 1 6 6 ARG N N 6 120.024 120.024 120.927 -0.903 18250 3867 1 5 . 1 1 6 6 ARG HA H 6 3.927 3.927 4.084 -0.157 18250 3868 1 5 . 1 1 6 6 ARG C C 6 177.331 177.331 177.855 -0.524 18250 3869 1 5 . 1 1 6 6 ARG CA C 6 59.861 59.861 59.507 0.354 18250 3870 1 5 . 1 1 6 6 ARG CB C 6 29.756 29.756 30.219 -0.463 18250 3871 1 5 . 1 1 6 6 ARG H H 6 8.252 8.252 8.275 -0.023 18250 3872 1 5 . 1 1 7 7 GLU N N 7 117.799 117.799 119.648 -1.849 18250 3873 1 5 . 1 1 7 7 GLU HA H 7 3.907 3.907 4.042 -0.135 18250 3874 1 5 . 1 1 7 7 GLU C C 7 179.388 179.388 179.112 0.276 18250 3875 1 5 . 1 1 7 7 GLU CA C 7 59.380 59.380 59.576 -0.196 18250 3876 1 5 . 1 1 7 7 GLU CB C 7 29.624 29.624 29.183 0.441 18250 3877 1 5 . 1 1 7 7 GLU H H 7 7.953 7.953 7.755 0.198 18250 3878 1 5 . 1 1 8 8 LEU N N 8 119.794 119.794 117.353 2.441 18250 3879 1 5 . 1 1 8 8 LEU HA H 8 3.875 3.875 4.163 -0.288 18250 3880 1 5 . 1 1 8 8 LEU C C 8 178.368 178.368 178.547 -0.179 18250 3881 1 5 . 1 1 8 8 LEU CA C 8 58.116 58.116 56.957 1.159 18250 3882 1 5 . 1 1 8 8 LEU CB C 8 41.926 41.926 41.966 -0.040 18250 3883 1 5 . 1 1 8 8 LEU H H 8 7.726 7.726 7.365 0.361 18250 3884 1 5 . 1 1 9 9 VAL N N 9 117.818 117.818 117.085 0.733 18250 3885 1 5 . 1 1 9 9 VAL HA H 9 3.678 3.678 3.653 0.025 18250 3886 1 5 . 1 1 9 9 VAL C C 9 177.085 177.085 177.411 -0.326 18250 3887 1 5 . 1 1 9 9 VAL CA C 9 67.766 67.766 65.385 2.381 18250 3888 1 5 . 1 1 9 9 VAL CB C 9 32.429 32.429 32.138 0.291 18250 3889 1 5 . 1 1 9 9 VAL H H 9 7.765 7.765 7.067 0.698 18250 3890 1 5 . 1 1 10 10 VAL N N 10 117.317 117.317 121.265 -3.948 18250 3891 1 5 . 1 1 10 10 VAL HA H 10 2.926 2.926 3.155 -0.229 18250 3892 1 5 . 1 1 10 10 VAL C C 10 178.588 178.588 177.488 1.100 18250 3893 1 5 . 1 1 10 10 VAL CA C 10 67.029 67.029 67.377 -0.348 18250 3894 1 5 . 1 1 10 10 VAL CB C 10 31.401 31.401 31.497 -0.096 18250 3895 1 5 . 1 1 10 10 VAL H H 10 8.333 8.333 8.622 -0.289 18250 3896 1 5 . 1 1 11 11 ASP N N 11 120.859 120.859 119.109 1.750 18250 3897 1 5 . 1 1 11 11 ASP HA H 11 4.083 4.083 4.245 -0.162 18250 3898 1 5 . 1 1 11 11 ASP C C 11 177.495 177.495 178.378 -0.883 18250 3899 1 5 . 1 1 11 11 ASP CA C 11 58.947 58.947 57.146 1.801 18250 3900 1 5 . 1 1 11 11 ASP CB C 11 43.345 43.345 40.839 2.506 18250 3901 1 5 . 1 1 11 11 ASP H H 11 8.070 8.070 8.127 -0.057 18250 3902 1 5 . 1 1 12 12 PHE N N 12 120.293 120.293 120.379 -0.086 18250 3903 1 5 . 1 1 12 12 PHE HA H 12 3.953 3.953 4.329 -0.376 18250 3904 1 5 . 1 1 12 12 PHE C C 12 178.083 178.083 176.824 1.259 18250 3905 1 5 . 1 1 12 12 PHE CA C 12 63.221 63.221 61.177 2.044 18250 3906 1 5 . 1 1 12 12 PHE CB C 12 40.134 40.134 39.565 0.569 18250 3907 1 5 . 1 1 12 12 PHE H H 12 8.327 8.327 7.293 1.034 18250 3908 1 5 . 1 1 13 13 LEU N N 13 116.845 116.845 120.262 -3.417 18250 3909 1 5 . 1 1 13 13 LEU HA H 13 3.990 3.990 3.964 0.026 18250 3910 1 5 . 1 1 13 13 LEU C C 13 179.454 179.454 179.021 0.433 18250 3911 1 5 . 1 1 13 13 LEU CA C 13 58.291 58.291 57.865 0.426 18250 3912 1 5 . 1 1 13 13 LEU CB C 13 41.739 41.739 41.268 0.471 18250 3913 1 5 . 1 1 13 13 LEU H H 13 8.907 8.907 8.806 0.101 18250 3914 1 5 . 1 1 14 14 SER N N 14 114.306 114.306 114.877 -0.571 18250 3915 1 5 . 1 1 14 14 SER HA H 14 4.257 4.257 4.103 0.154 18250 3916 1 5 . 1 1 14 14 SER C C 14 177.281 177.281 176.696 0.585 18250 3917 1 5 . 1 1 14 14 SER CA C 14 62.641 62.641 61.612 1.029 18250 3918 1 5 . 1 1 14 14 SER CB C 14 62.594 62.594 62.859 -0.265 18250 3919 1 5 . 1 1 14 14 SER H H 14 8.503 8.503 8.219 0.284 18250 3920 1 5 . 1 1 15 15 TYR N N 15 124.988 124.988 122.110 2.878 18250 3921 1 5 . 1 1 15 15 TYR HA H 15 4.388 4.388 4.137 0.251 18250 3922 1 5 . 1 1 15 15 TYR C C 15 178.247 178.247 177.256 0.991 18250 3923 1 5 . 1 1 15 15 TYR CA C 15 60.311 60.311 61.508 -1.197 18250 3924 1 5 . 1 1 15 15 TYR CB C 15 37.990 37.990 38.237 -0.247 18250 3925 1 5 . 1 1 15 15 TYR H H 15 8.252 8.252 7.779 0.473 18250 3926 1 5 . 1 1 16 16 LYS N N 16 120.256 120.256 119.715 0.541 18250 3927 1 5 . 1 1 16 16 LYS HA H 16 3.829 3.829 3.857 -0.028 18250 3928 1 5 . 1 1 16 16 LYS C C 16 180.272 180.272 179.082 1.190 18250 3929 1 5 . 1 1 16 16 LYS CA C 16 57.063 57.063 58.499 -1.436 18250 3930 1 5 . 1 1 16 16 LYS CB C 16 29.849 29.849 32.127 -2.278 18250 3931 1 5 . 1 1 16 16 LYS H H 16 8.331 8.331 7.632 0.699 18250 3932 1 5 . 1 1 17 17 LEU N N 17 118.564 118.564 119.466 -0.902 18250 3933 1 5 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.075 -0.000 18250 3934 1 5 . 1 1 17 17 LEU C C 17 179.917 179.917 178.668 1.249 18250 3935 1 5 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.409 0.284 18250 3936 1 5 . 1 1 17 17 LEU CB C 17 41.178 41.178 41.874 -0.696 18250 3937 1 5 . 1 1 17 17 LEU H H 17 8.726 8.726 8.724 0.002 18250 3938 1 5 . 1 1 18 18 SER N N 18 117.861 117.861 114.424 3.437 18250 3939 1 5 . 1 1 18 18 SER HA H 18 4.696 4.696 4.596 0.100 18250 3940 1 5 . 1 1 18 18 SER C C 18 178.612 178.612 177.233 1.379 18250 3941 1 5 . 1 1 18 18 SER CA C 18 61.783 61.783 60.764 1.019 18250 3942 1 5 . 1 1 18 18 SER CB C 18 62.613 62.613 62.959 -0.346 18250 3943 1 5 . 1 1 18 18 SER H H 18 8.394 8.394 8.157 0.237 18250 3944 1 5 . 1 1 19 19 GLN N N 19 122.899 122.899 120.693 2.206 18250 3945 1 5 . 1 1 19 19 GLN HA H 19 4.017 4.017 4.055 -0.038 18250 3946 1 5 . 1 1 19 19 GLN C C 19 177.237 177.237 176.533 0.704 18250 3947 1 5 . 1 1 19 19 GLN CA C 19 58.536 58.536 58.096 0.440 18250 3948 1 5 . 1 1 19 19 GLN CB C 19 28.795 28.795 28.512 0.283 18250 3949 1 5 . 1 1 19 19 GLN H H 19 7.691 7.691 7.450 0.241 18250 3950 1 5 . 1 1 20 20 LYS N N 20 116.425 116.425 116.883 -0.458 18250 3951 1 5 . 1 1 20 20 LYS HA H 20 4.425 4.425 4.218 0.207 18250 3952 1 5 . 1 1 20 20 LYS C C 20 175.581 175.581 176.010 -0.429 18250 3953 1 5 . 1 1 20 20 LYS CA C 20 54.032 54.032 55.774 -1.742 18250 3954 1 5 . 1 1 20 20 LYS CB C 20 32.659 32.659 32.090 0.569 18250 3955 1 5 . 1 1 20 20 LYS H H 20 7.268 7.268 7.373 -0.105 18250 3956 1 5 . 1 1 21 21 GLY N N 21 105.593 105.593 106.848 -1.255 18250 3957 1 5 . 1 1 21 21 GLY C C 21 174.012 174.012 174.056 -0.044 18250 3958 1 5 . 1 1 21 21 GLY CA C 21 45.316 45.316 45.140 0.176 18250 3959 1 5 . 1 1 21 21 GLY H H 21 7.620 7.620 7.524 0.096 18250 3960 1 5 . 1 1 22 22 TYR N N 22 119.884 119.884 119.531 0.353 18250 3961 1 5 . 1 1 22 22 TYR HA H 22 5.047 5.047 4.855 0.192 18250 3962 1 5 . 1 1 22 22 TYR C C 22 175.024 175.024 174.594 0.430 18250 3963 1 5 . 1 1 22 22 TYR CA C 22 55.645 55.645 55.766 -0.121 18250 3964 1 5 . 1 1 22 22 TYR CB C 22 40.969 40.969 40.541 0.428 18250 3965 1 5 . 1 1 22 22 TYR H H 22 7.892 7.892 8.047 -0.155 18250 3966 1 5 . 1 1 23 23 SER N N 23 115.410 115.410 117.327 -1.917 18250 3967 1 5 . 1 1 23 23 SER HA H 23 4.863 4.863 4.857 0.006 18250 3968 1 5 . 1 1 23 23 SER C C 23 174.483 174.483 175.158 -0.675 18250 3969 1 5 . 1 1 23 23 SER CA C 23 56.776 56.776 56.883 -0.107 18250 3970 1 5 . 1 1 23 23 SER CB C 23 64.778 64.778 64.235 0.543 18250 3971 1 5 . 1 1 23 23 SER H H 23 8.561 8.561 8.782 -0.221 18250 3972 1 5 . 1 1 24 24 TRP N N 24 127.533 127.533 128.009 -0.476 18250 3973 1 5 . 1 1 24 24 TRP HA H 24 4.346 4.346 4.687 -0.341 18250 3974 1 5 . 1 1 24 24 TRP C C 24 176.876 176.876 176.583 0.293 18250 3975 1 5 . 1 1 24 24 TRP CA C 24 60.051 60.051 60.766 -0.715 18250 3976 1 5 . 1 1 24 24 TRP CB C 24 30.824 30.824 29.529 1.295 18250 3977 1 5 . 1 1 24 24 TRP H H 24 9.026 9.026 9.179 -0.153 18250 3978 1 5 . 1 1 25 25 SER N N 25 112.236 112.236 114.509 -2.273 18250 3979 1 5 . 1 1 25 25 SER HA H 25 4.104 4.104 3.887 0.217 18250 3980 1 5 . 1 1 25 25 SER C C 25 175.164 175.164 175.480 -0.316 18250 3981 1 5 . 1 1 25 25 SER CA C 25 60.033 60.033 60.695 -0.662 18250 3982 1 5 . 1 1 25 25 SER CB C 25 62.931 62.931 61.753 1.178 18250 3983 1 5 . 1 1 25 25 SER H H 25 8.236 8.236 8.158 0.078 18250 3984 1 5 . 1 1 26 26 GLN N N 26 119.530 119.530 119.337 0.193 18250 3985 1 5 . 1 1 26 26 GLN HA H 26 3.895 3.895 3.944 -0.049 18250 3986 1 5 . 1 1 26 26 GLN C C 26 176.075 176.075 176.509 -0.434 18250 3987 1 5 . 1 1 26 26 GLN CA C 26 56.959 56.959 56.717 0.242 18250 3988 1 5 . 1 1 26 26 GLN CB C 26 28.764 28.764 28.420 0.344 18250 3989 1 5 . 1 1 26 26 GLN H H 26 7.467 7.467 7.279 0.188 18250 3990 1 5 . 1 1 27 27 PHE N N 27 116.668 116.668 115.064 1.604 18250 3991 1 5 . 1 1 27 27 PHE HA H 27 4.594 4.594 4.488 0.106 18250 3992 1 5 . 1 1 27 27 PHE C C 27 175.107 175.107 174.917 0.190 18250 3993 1 5 . 1 1 27 27 PHE CA C 27 56.629 56.629 57.132 -0.503 18250 3994 1 5 . 1 1 27 27 PHE CB C 27 39.909 39.909 39.837 0.073 18250 3995 1 5 . 1 1 27 27 PHE H H 27 7.343 7.343 7.337 0.006 18250 3996 1 5 . 1 1 28 28 SER N N 28 114.121 114.121 114.546 -0.425 18250 3997 1 5 . 1 1 28 28 SER HA H 28 4.151 4.151 4.277 -0.126 18250 3998 1 5 . 1 1 28 28 SER C C 28 173.703 173.703 173.079 0.624 18250 3999 1 5 . 1 1 28 28 SER CA C 28 57.662 57.662 56.170 1.492 18250 4000 1 5 . 1 1 28 28 SER CB C 28 63.931 63.931 64.728 -0.797 18250 4001 1 5 . 1 1 28 28 SER H H 28 7.336 7.336 6.965 0.371 18250 4002 1 5 . 1 1 29 29 ASP N N 29 122.733 122.733 122.213 0.520 18250 4003 1 5 . 1 1 29 29 ASP HA H 29 4.601 4.601 4.885 -0.284 18250 4004 1 5 . 1 1 29 29 ASP C C 29 176.320 176.320 176.666 -0.346 18250 4005 1 5 . 1 1 29 29 ASP CA C 29 54.194 54.194 54.609 -0.415 18250 4006 1 5 . 1 1 29 29 ASP CB C 29 41.145 41.145 40.583 0.562 18250 4007 1 5 . 1 1 29 29 ASP H H 29 8.370 8.370 8.556 -0.186 18250 4008 1 5 . 1 1 30 30 VAL N N 30 119.197 119.197 122.781 -3.584 18250 4009 1 5 . 1 1 30 30 VAL HA H 30 4.096 4.096 3.981 0.115 18250 4010 1 5 . 1 1 30 30 VAL C C 30 176.232 176.232 176.989 -0.757 18250 4011 1 5 . 1 1 30 30 VAL CA C 30 62.417 62.417 64.782 -2.365 18250 4012 1 5 . 1 1 30 30 VAL CB C 30 33.024 33.024 32.574 0.450 18250 4013 1 5 . 1 1 30 30 VAL H H 30 7.968 7.968 8.230 -0.262 18250 4014 1 5 . 1 1 31 31 GLU N N 31 124.470 124.470 117.376 7.094 18250 4015 1 5 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.292 -0.032 18250 4016 1 5 . 1 1 31 31 GLU C C 31 176.526 176.526 176.608 -0.082 18250 4017 1 5 . 1 1 31 31 GLU CA C 31 56.706 56.706 57.343 -0.637 18250 4018 1 5 . 1 1 31 31 GLU CB C 31 30.250 30.250 28.883 1.367 18250 4019 1 5 . 1 1 31 31 GLU H H 31 8.502 8.502 8.548 -0.046 18250 4020 1 5 . 1 1 32 32 GLU N N 32 122.145 122.145 119.971 2.174 18250 4021 1 5 . 1 1 32 32 GLU HA H 32 4.233 4.233 4.279 -0.046 18250 4022 1 5 . 1 1 32 32 GLU C C 32 176.172 176.172 175.810 0.362 18250 4023 1 5 . 1 1 32 32 GLU CA C 32 56.732 56.732 56.109 0.623 18250 4024 1 5 . 1 1 32 32 GLU CB C 32 30.643 30.643 28.930 1.713 18250 4025 1 5 . 1 1 32 32 GLU H H 32 8.426 8.426 8.076 0.350 18250 4026 1 5 . 1 1 33 33 ASN N N 33 119.562 119.562 115.592 3.970 18250 4027 1 5 . 1 1 33 33 ASN HA H 33 4.708 4.708 4.410 0.298 18250 4028 1 5 . 1 1 33 33 ASN C C 33 174.983 174.983 174.765 0.218 18250 4029 1 5 . 1 1 33 33 ASN CA C 33 53.360 53.360 54.320 -0.960 18250 4030 1 5 . 1 1 33 33 ASN CB C 33 38.994 38.994 37.469 1.525 18250 4031 1 5 . 1 1 33 33 ASN H H 33 8.503 8.503 8.049 0.454 18250 4032 1 5 . 1 1 34 34 ARG N N 34 122.040 122.040 119.122 2.918 18250 4033 1 5 . 1 1 34 34 ARG HA H 34 4.411 4.411 4.530 -0.119 18250 4034 1 5 . 1 1 34 34 ARG C C 34 176.470 176.470 175.067 1.403 18250 4035 1 5 . 1 1 34 34 ARG CA C 34 56.151 56.151 55.809 0.341 18250 4036 1 5 . 1 1 34 34 ARG CB C 34 30.891 30.891 31.155 -0.264 18250 4037 1 5 . 1 1 34 34 ARG H H 34 8.330 8.330 8.076 0.254 18250 4038 1 5 . 1 1 35 35 THR N N 35 115.850 115.850 114.164 1.686 18250 4039 1 5 . 1 1 35 35 THR HA H 35 4.329 4.329 4.509 -0.180 18250 4040 1 5 . 1 1 35 35 THR C C 35 174.429 174.429 174.276 0.153 18250 4041 1 5 . 1 1 35 35 THR CA C 35 62.079 62.079 62.087 -0.008 18250 4042 1 5 . 1 1 35 35 THR CB C 35 69.825 69.825 68.310 1.515 18250 4043 1 5 . 1 1 35 35 THR H H 35 8.283 8.283 7.878 0.405 18250 4044 1 5 . 1 1 36 36 GLU N N 36 123.074 123.074 128.145 -5.071 18250 4045 1 5 . 1 1 36 36 GLU HA H 36 4.311 4.311 4.566 -0.255 18250 4046 1 5 . 1 1 36 36 GLU C C 36 175.641 175.641 174.844 0.797 18250 4047 1 5 . 1 1 36 36 GLU CA C 36 56.396 56.396 56.318 0.078 18250 4048 1 5 . 1 1 36 36 GLU CB C 36 30.379 30.379 31.366 -0.987 18250 4049 1 5 . 1 1 36 36 GLU H H 36 8.402 8.402 8.445 -0.043 18250 4050 1 5 . 1 1 37 37 ALA N N 37 126.190 126.190 129.441 -3.251 18250 4051 1 5 . 1 1 37 37 ALA HA H 37 4.613 4.613 4.809 -0.196 18250 4052 1 5 . 1 1 37 37 ALA C C 37 175.419 175.419 176.131 -0.712 18250 4053 1 5 . 1 1 37 37 ALA CA C 37 50.532 50.532 50.475 0.057 18250 4054 1 5 . 1 1 37 37 ALA CB C 37 18.633 18.633 18.664 -0.031 18250 4055 1 5 . 1 1 37 37 ALA H H 37 8.314 8.314 8.434 -0.120 18250 4056 1 5 . 1 1 38 38 PRO HA H 38 4.427 4.427 4.662 -0.235 18250 4057 1 5 . 1 1 38 38 PRO C C 38 177.029 177.029 176.249 0.780 18250 4058 1 5 . 1 1 38 38 PRO CA C 38 63.216 63.216 62.003 1.213 18250 4059 1 5 . 1 1 38 38 PRO CB C 38 32.134 32.134 32.451 -0.317 18250 4060 1 5 . 1 1 39 39 GLU N N 39 121.295 121.295 119.687 1.608 18250 4061 1 5 . 1 1 39 39 GLU HA H 39 4.301 4.301 4.345 -0.044 18250 4062 1 5 . 1 1 39 39 GLU C C 39 177.079 177.079 176.837 0.242 18250 4063 1 5 . 1 1 39 39 GLU CA C 39 56.836 56.836 56.245 0.591 18250 4064 1 5 . 1 1 39 39 GLU CB C 39 30.441 30.441 27.981 2.460 18250 4065 1 5 . 1 1 39 39 GLU H H 39 8.640 8.640 8.677 -0.037 18250 4066 1 5 . 1 1 40 40 GLY N N 40 110.317 110.317 115.056 -4.739 18250 4067 1 5 . 1 1 40 40 GLY C C 40 174.602 174.602 174.634 -0.032 18250 4068 1 5 . 1 1 40 40 GLY CA C 40 45.485 45.485 44.671 0.814 18250 4069 1 5 . 1 1 40 40 GLY H H 40 8.521 8.521 8.417 0.104 18250 4070 1 5 . 1 1 41 41 THR N N 41 113.178 113.178 118.521 -5.343 18250 4071 1 5 . 1 1 41 41 THR HA H 41 4.385 4.385 4.007 0.378 18250 4072 1 5 . 1 1 41 41 THR C C 41 175.499 175.499 176.099 -0.600 18250 4073 1 5 . 1 1 41 41 THR CA C 41 62.273 62.273 66.368 -4.095 18250 4074 1 5 . 1 1 41 41 THR CB C 41 69.917 69.917 68.904 1.013 18250 4075 1 5 . 1 1 41 41 THR H H 41 8.268 8.268 7.778 0.490 18250 4076 1 5 . 1 1 42 42 GLU N N 42 123.140 123.140 122.364 0.776 18250 4077 1 5 . 1 1 42 42 GLU HA H 42 4.371 4.371 4.021 0.350 18250 4078 1 5 . 1 1 42 42 GLU C C 42 177.161 177.161 178.423 -1.262 18250 4079 1 5 . 1 1 42 42 GLU CA C 42 57.492 57.492 59.288 -1.796 18250 4080 1 5 . 1 1 42 42 GLU CB C 42 29.924 29.924 29.263 0.661 18250 4081 1 5 . 1 1 42 42 GLU H H 42 8.847 8.847 8.901 -0.054 18250 4082 1 5 . 1 1 43 43 SER N N 43 115.679 115.679 115.674 0.005 18250 4083 1 5 . 1 1 43 43 SER HA H 43 4.430 4.430 3.967 0.463 18250 4084 1 5 . 1 1 43 43 SER C C 43 175.673 175.673 176.557 -0.884 18250 4085 1 5 . 1 1 43 43 SER CA C 43 58.925 58.925 61.596 -2.671 18250 4086 1 5 . 1 1 43 43 SER CB C 43 63.710 63.710 62.816 0.894 18250 4087 1 5 . 1 1 43 43 SER H H 43 8.510 8.510 8.458 0.052 18250 4088 1 5 . 1 1 44 44 GLU N N 44 123.102 123.102 120.163 2.939 18250 4089 1 5 . 1 1 44 44 GLU HA H 44 3.992 3.992 4.069 -0.077 18250 4090 1 5 . 1 1 44 44 GLU C C 44 177.924 177.924 178.415 -0.491 18250 4091 1 5 . 1 1 44 44 GLU CA C 44 59.074 59.074 58.521 0.553 18250 4092 1 5 . 1 1 44 44 GLU CB C 44 29.413 29.413 29.450 -0.037 18250 4093 1 5 . 1 1 44 44 GLU H H 44 8.350 8.350 7.818 0.532 18250 4094 1 5 . 1 1 45 45 ALA N N 45 120.958 120.958 122.561 -1.603 18250 4095 1 5 . 1 1 45 45 ALA HA H 45 4.131 4.131 4.112 0.019 18250 4096 1 5 . 1 1 45 45 ALA C C 45 180.641 180.641 178.975 1.666 18250 4097 1 5 . 1 1 45 45 ALA CA C 45 55.157 55.157 54.894 0.263 18250 4098 1 5 . 1 1 45 45 ALA CB C 45 18.575 18.575 18.808 -0.234 18250 4099 1 5 . 1 1 45 45 ALA H H 45 8.227 8.227 7.649 0.578 18250 4100 1 5 . 1 1 46 46 VAL N N 46 118.867 118.867 119.664 -0.797 18250 4101 1 5 . 1 1 46 46 VAL HA H 46 3.496 3.496 3.520 -0.024 18250 4102 1 5 . 1 1 46 46 VAL C C 46 176.724 176.724 176.944 -0.220 18250 4103 1 5 . 1 1 46 46 VAL CA C 46 66.189 66.189 65.408 0.781 18250 4104 1 5 . 1 1 46 46 VAL CB C 46 31.811 31.811 31.168 0.643 18250 4105 1 5 . 1 1 46 46 VAL H H 46 7.569 7.569 7.634 -0.065 18250 4106 1 5 . 1 1 47 47 LYS N N 47 117.922 117.922 119.671 -1.749 18250 4107 1 5 . 1 1 47 47 LYS HA H 47 3.719 3.719 3.820 -0.101 18250 4108 1 5 . 1 1 47 47 LYS C C 47 178.888 178.888 178.466 0.422 18250 4109 1 5 . 1 1 47 47 LYS CA C 47 59.801 59.801 59.233 0.568 18250 4110 1 5 . 1 1 47 47 LYS CB C 47 32.514 32.514 31.761 0.753 18250 4111 1 5 . 1 1 47 47 LYS H H 47 7.437 7.437 8.213 -0.776 18250 4112 1 5 . 1 1 48 48 GLN N N 48 116.490 116.490 117.780 -1.290 18250 4113 1 5 . 1 1 48 48 GLN HA H 48 3.712 3.712 4.039 -0.327 18250 4114 1 5 . 1 1 48 48 GLN C C 48 177.625 177.625 177.709 -0.084 18250 4115 1 5 . 1 1 48 48 GLN CA C 48 59.027 59.027 58.250 0.777 18250 4116 1 5 . 1 1 48 48 GLN CB C 48 28.103 28.103 27.900 0.203 18250 4117 1 5 . 1 1 48 48 GLN H H 48 8.168 8.168 7.322 0.846 18250 4118 1 5 . 1 1 49 49 ALA N N 49 120.362 120.362 123.585 -3.223 18250 4119 1 5 . 1 1 49 49 ALA HA H 49 4.227 4.227 3.852 0.375 18250 4120 1 5 . 1 1 49 49 ALA C C 49 179.807 179.807 179.369 0.438 18250 4121 1 5 . 1 1 49 49 ALA CA C 49 54.930 54.930 54.970 -0.040 18250 4122 1 5 . 1 1 49 49 ALA CB C 49 18.708 18.708 18.214 0.494 18250 4123 1 5 . 1 1 49 49 ALA H H 49 7.789 7.789 7.979 -0.190 18250 4124 1 5 . 1 1 50 50 LEU N N 50 120.591 120.591 117.987 2.604 18250 4125 1 5 . 1 1 50 50 LEU HA H 50 4.151 4.151 4.110 0.041 18250 4126 1 5 . 1 1 50 50 LEU C C 50 179.225 179.225 179.219 0.006 18250 4127 1 5 . 1 1 50 50 LEU CA C 50 58.581 58.581 57.021 1.560 18250 4128 1 5 . 1 1 50 50 LEU CB C 50 42.279 42.279 40.197 2.082 18250 4129 1 5 . 1 1 50 50 LEU H H 50 8.491 8.491 8.603 -0.112 18250 4130 1 5 . 1 1 51 51 ARG N N 51 118.934 118.934 120.772 -1.838 18250 4131 1 5 . 1 1 51 51 ARG HA H 51 3.772 3.772 3.834 -0.062 18250 4132 1 5 . 1 1 51 51 ARG C C 51 178.618 178.618 178.405 0.213 18250 4133 1 5 . 1 1 51 51 ARG CA C 51 60.954 60.954 59.594 1.360 18250 4134 1 5 . 1 1 51 51 ARG CB C 51 30.888 30.888 29.890 0.998 18250 4135 1 5 . 1 1 51 51 ARG H H 51 8.170 8.170 7.617 0.553 18250 4136 1 5 . 1 1 52 52 GLU N N 52 116.532 116.532 117.887 -1.355 18250 4137 1 5 . 1 1 52 52 GLU HA H 52 4.156 4.156 4.059 0.097 18250 4138 1 5 . 1 1 52 52 GLU C C 52 179.937 179.937 178.318 1.619 18250 4139 1 5 . 1 1 52 52 GLU CA C 52 59.383 59.383 58.449 0.934 18250 4140 1 5 . 1 1 52 52 GLU CB C 52 29.640 29.640 29.625 0.015 18250 4141 1 5 . 1 1 52 52 GLU H H 52 7.914 7.914 7.360 0.554 18250 4142 1 5 . 1 1 53 53 ALA N N 53 123.226 123.226 122.562 0.664 18250 4143 1 5 . 1 1 53 53 ALA HA H 53 4.473 4.473 4.011 0.462 18250 4144 1 5 . 1 1 53 53 ALA C C 53 181.683 181.683 179.494 2.189 18250 4145 1 5 . 1 1 53 53 ALA CA C 53 55.114 55.114 54.811 0.303 18250 4146 1 5 . 1 1 53 53 ALA CB C 53 19.476 19.476 18.514 0.962 18250 4147 1 5 . 1 1 53 53 ALA H H 53 8.902 8.902 7.944 0.958 18250 4148 1 5 . 1 1 54 54 GLY N N 54 108.711 108.711 105.354 3.357 18250 4149 1 5 . 1 1 54 54 GLY C C 54 175.330 175.330 175.735 -0.405 18250 4150 1 5 . 1 1 54 54 GLY CA C 54 47.111 47.111 46.893 0.218 18250 4151 1 5 . 1 1 54 54 GLY H H 54 9.186 9.186 8.529 0.657 18250 4152 1 5 . 1 1 55 55 ASP N N 55 122.891 122.891 121.030 1.861 18250 4153 1 5 . 1 1 55 55 ASP C C 55 179.023 179.023 177.564 1.459 18250 4154 1 5 . 1 1 55 55 ASP CA C 55 57.752 57.752 56.727 1.025 18250 4155 1 5 . 1 1 55 55 ASP CB C 55 39.839 39.839 41.295 -1.456 18250 4156 1 5 . 1 1 55 55 ASP H H 55 8.224 8.224 7.512 0.712 18250 4157 1 5 . 1 1 56 56 GLU N N 56 120.753 120.753 120.382 0.371 18250 4158 1 5 . 1 1 56 56 GLU HA H 56 4.180 4.180 4.110 0.070 18250 4159 1 5 . 1 1 56 56 GLU C C 56 178.472 178.472 178.679 -0.207 18250 4160 1 5 . 1 1 56 56 GLU CA C 56 59.600 59.600 59.082 0.518 18250 4161 1 5 . 1 1 56 56 GLU CB C 56 29.782 29.782 30.027 -0.245 18250 4162 1 5 . 1 1 56 56 GLU H H 56 8.282 8.282 8.068 0.214 18250 4163 1 5 . 1 1 57 57 PHE N N 57 121.604 121.604 120.009 1.595 18250 4164 1 5 . 1 1 57 57 PHE HA H 57 4.341 4.341 4.297 0.044 18250 4165 1 5 . 1 1 57 57 PHE C C 57 177.008 177.008 177.243 -0.235 18250 4166 1 5 . 1 1 57 57 PHE CA C 57 61.915 61.915 62.118 -0.203 18250 4167 1 5 . 1 1 57 57 PHE CB C 57 40.025 40.025 39.553 0.472 18250 4168 1 5 . 1 1 57 57 PHE H H 57 8.671 8.671 9.056 -0.385 18250 4169 1 5 . 1 1 58 58 GLU N N 58 116.765 116.765 119.433 -2.668 18250 4170 1 5 . 1 1 58 58 GLU HA H 58 3.667 3.667 3.949 -0.282 18250 4171 1 5 . 1 1 58 58 GLU C C 58 177.661 177.661 177.788 -0.127 18250 4172 1 5 . 1 1 58 58 GLU CA C 58 58.795 58.795 59.555 -0.760 18250 4173 1 5 . 1 1 58 58 GLU CB C 58 29.783 29.783 29.462 0.321 18250 4174 1 5 . 1 1 58 58 GLU H H 58 8.136 8.136 8.279 -0.143 18250 4175 1 5 . 1 1 59 59 LEU N N 59 117.344 117.344 118.242 -0.898 18250 4176 1 5 . 1 1 59 59 LEU HA H 59 4.201 4.201 4.221 -0.020 18250 4177 1 5 . 1 1 59 59 LEU C C 59 178.953 178.953 179.238 -0.285 18250 4178 1 5 . 1 1 59 59 LEU CA C 59 56.973 56.973 56.743 0.230 18250 4179 1 5 . 1 1 59 59 LEU CB C 59 42.976 42.976 41.919 1.057 18250 4180 1 5 . 1 1 59 59 LEU H H 59 7.513 7.513 7.236 0.277 18250 4181 1 5 . 1 1 60 60 ARG N N 60 117.779 117.779 121.431 -3.652 18250 4182 1 5 . 1 1 60 60 ARG HA H 60 3.957 3.957 3.896 0.061 18250 4183 1 5 . 1 1 60 60 ARG C C 60 177.342 177.342 176.946 0.396 18250 4184 1 5 . 1 1 60 60 ARG CA C 60 57.901 57.901 57.657 0.244 18250 4185 1 5 . 1 1 60 60 ARG CB C 60 31.153 31.153 30.520 0.633 18250 4186 1 5 . 1 1 60 60 ARG H H 60 8.072 8.072 7.992 0.080 18250 4187 1 5 . 1 1 61 61 TYR N N 61 119.056 119.056 116.971 2.085 18250 4188 1 5 . 1 1 61 61 TYR HA H 61 4.744 4.744 4.759 -0.015 18250 4189 1 5 . 1 1 61 61 TYR C C 61 175.214 175.214 174.752 0.462 18250 4190 1 5 . 1 1 61 61 TYR CA C 61 56.294 56.294 56.063 0.231 18250 4191 1 5 . 1 1 61 61 TYR CB C 61 37.024 37.024 37.735 -0.711 18250 4192 1 5 . 1 1 61 61 TYR H H 61 8.050 8.050 8.018 0.032 18250 4193 1 5 . 1 1 62 62 ARG N N 62 119.956 119.956 123.026 -3.070 18250 4194 1 5 . 1 1 62 62 ARG HA H 62 4.058 4.058 4.191 -0.133 18250 4195 1 5 . 1 1 62 62 ARG C C 62 178.183 178.183 177.766 0.417 18250 4196 1 5 . 1 1 62 62 ARG CA C 62 59.025 59.025 60.261 -1.236 18250 4197 1 5 . 1 1 62 62 ARG CB C 62 30.139 30.139 30.504 -0.365 18250 4198 1 5 . 1 1 62 62 ARG H H 62 7.419 7.419 8.372 -0.953 18250 4199 1 5 . 1 1 63 63 ARG HA H 63 4.222 4.222 4.234 -0.012 18250 4200 1 5 . 1 1 63 63 ARG C C 63 177.387 177.387 178.145 -0.758 18250 4201 1 5 . 1 1 63 63 ARG CA C 63 57.730 57.730 59.029 -1.299 18250 4202 1 5 . 1 1 63 63 ARG CB C 63 29.179 29.179 29.509 -0.330 18250 4203 1 5 . 1 1 64 64 ALA N N 64 122.003 122.003 122.396 -0.393 18250 4204 1 5 . 1 1 64 64 ALA HA H 64 4.100 4.100 4.255 -0.155 18250 4205 1 5 . 1 1 64 64 ALA C C 64 179.975 179.975 179.567 0.408 18250 4206 1 5 . 1 1 64 64 ALA CA C 64 54.579 54.579 54.693 -0.114 18250 4207 1 5 . 1 1 64 64 ALA CB C 64 18.636 18.636 18.401 0.235 18250 4208 1 5 . 1 1 64 64 ALA H H 64 7.868 7.868 7.837 0.031 18250 4209 1 5 . 1 1 65 65 PHE N N 65 115.858 115.858 119.828 -3.970 18250 4210 1 5 . 1 1 65 65 PHE HA H 65 4.800 4.800 4.465 0.335 18250 4211 1 5 . 1 1 65 65 PHE C C 65 177.376 177.376 177.666 -0.290 18250 4212 1 5 . 1 1 65 65 PHE CA C 65 58.222 58.222 61.248 -3.026 18250 4213 1 5 . 1 1 65 65 PHE CB C 65 38.877 38.877 39.493 -0.617 18250 4214 1 5 . 1 1 65 65 PHE H H 65 8.579 8.579 8.715 -0.136 18250 4215 1 5 . 1 1 66 66 SER N N 66 116.942 116.942 115.657 1.285 18250 4216 1 5 . 1 1 66 66 SER HA H 66 4.223 4.223 4.113 0.110 18250 4217 1 5 . 1 1 66 66 SER C C 66 176.472 176.472 176.684 -0.212 18250 4218 1 5 . 1 1 66 66 SER CA C 66 61.764 61.764 61.160 0.604 18250 4219 1 5 . 1 1 66 66 SER CB C 66 63.012 63.012 63.120 -0.108 18250 4220 1 5 . 1 1 66 66 SER H H 66 8.232 8.232 8.408 -0.176 18250 4221 1 5 . 1 1 67 67 ASP N N 67 121.623 121.623 123.583 -1.960 18250 4222 1 5 . 1 1 67 67 ASP HA H 67 4.487 4.487 4.479 0.008 18250 4223 1 5 . 1 1 67 67 ASP C C 67 178.404 178.404 178.782 -0.378 18250 4224 1 5 . 1 1 67 67 ASP CA C 67 56.827 56.827 57.006 -0.179 18250 4225 1 5 . 1 1 67 67 ASP CB C 67 40.176 40.176 41.119 -0.943 18250 4226 1 5 . 1 1 67 67 ASP H H 67 8.476 8.476 7.768 0.708 18250 4227 1 5 . 1 1 68 68 LEU N N 68 121.200 121.200 118.730 2.470 18250 4228 1 5 . 1 1 68 68 LEU HA H 68 4.104 4.104 4.012 0.092 18250 4229 1 5 . 1 1 68 68 LEU C C 68 179.046 179.046 178.707 0.339 18250 4230 1 5 . 1 1 68 68 LEU CA C 68 57.972 57.972 57.244 0.728 18250 4231 1 5 . 1 1 68 68 LEU CB C 68 42.555 42.555 41.810 0.745 18250 4232 1 5 . 1 1 68 68 LEU H H 68 7.889 7.889 8.287 -0.398 18250 4233 1 5 . 1 1 69 69 THR N N 69 110.282 110.282 112.693 -2.411 18250 4234 1 5 . 1 1 69 69 THR HA H 69 4.086 4.086 3.738 0.348 18250 4235 1 5 . 1 1 69 69 THR C C 69 177.457 177.457 176.345 1.112 18250 4236 1 5 . 1 1 69 69 THR CA C 69 65.839 65.839 66.019 -0.180 18250 4237 1 5 . 1 1 69 69 THR CB C 69 68.442 68.442 68.238 0.204 18250 4238 1 5 . 1 1 69 69 THR H H 69 8.493 8.493 7.940 0.553 18250 4239 1 5 . 1 1 70 70 SER N N 70 116.582 116.582 116.564 0.018 18250 4240 1 5 . 1 1 70 70 SER HA H 70 4.330 4.330 4.336 -0.006 18250 4241 1 5 . 1 1 70 70 SER C C 70 175.607 175.607 176.957 -1.350 18250 4242 1 5 . 1 1 70 70 SER CA C 70 60.676 60.676 60.422 0.254 18250 4243 1 5 . 1 1 70 70 SER CB C 70 63.301 63.301 62.916 0.385 18250 4244 1 5 . 1 1 70 70 SER H H 70 7.754 7.754 7.660 0.094 18250 4245 1 5 . 1 1 71 71 GLN N N 71 119.129 119.129 122.132 -3.003 18250 4246 1 5 . 1 1 71 71 GLN HA H 71 4.108 4.108 4.131 -0.023 18250 4247 1 5 . 1 1 71 71 GLN C C 71 176.338 176.338 177.236 -0.898 18250 4248 1 5 . 1 1 71 71 GLN CA C 71 57.407 57.407 57.917 -0.510 18250 4249 1 5 . 1 1 71 71 GLN CB C 71 29.533 29.533 28.795 0.738 18250 4250 1 5 . 1 1 71 71 GLN H H 71 7.754 7.754 7.422 0.332 18250 4251 1 5 . 1 1 72 72 LEU N N 72 118.804 118.804 118.390 0.414 18250 4252 1 5 . 1 1 72 72 LEU HA H 72 4.312 4.312 4.333 -0.021 18250 4253 1 5 . 1 1 72 72 LEU C C 72 174.285 174.285 175.759 -1.474 18250 4254 1 5 . 1 1 72 72 LEU CA C 72 55.437 55.437 53.543 1.894 18250 4255 1 5 . 1 1 72 72 LEU CB C 72 43.888 43.888 41.681 2.207 18250 4256 1 5 . 1 1 72 72 LEU H H 72 7.577 7.577 7.478 0.099 18250 4257 1 5 . 1 1 73 73 HIS HA H 73 4.644 4.644 4.411 0.233 18250 4258 1 5 . 1 1 73 73 HIS C C 73 174.452 174.452 175.091 -0.639 18250 4259 1 5 . 1 1 73 73 HIS CA C 73 54.964 54.964 57.421 -2.457 18250 4260 1 5 . 1 1 73 73 HIS CB C 73 28.747 28.747 29.713 -0.966 18250 4261 1 5 . 1 1 74 74 ILE N N 74 122.470 122.470 128.097 -5.627 18250 4262 1 5 . 1 1 74 74 ILE HA H 74 4.207 4.207 4.080 0.127 18250 4263 1 5 . 1 1 74 74 ILE CA C 74 61.962 61.962 61.351 0.611 18250 4264 1 5 . 1 1 74 74 ILE CB C 74 38.952 38.952 39.135 -0.182 18250 4265 1 5 . 1 1 74 74 ILE H H 74 8.767 8.767 8.278 0.489 18250 4266 1 5 . 1 1 75 75 THR N N 75 120.535 120.535 121.772 -1.237 18250 4267 1 5 . 1 1 75 75 THR HA H 75 4.325 4.325 4.936 -0.611 18250 4268 1 5 . 1 1 75 75 THR H H 75 7.953 7.953 8.527 -0.574 18250 4269 1 5 . 1 1 77 77 GLY CA C 77 44.791 44.791 44.827 -0.036 18250 4270 1 5 . 1 1 78 78 THR N N 78 130.040 130.040 119.282 10.758 18250 4271 1 5 . 1 1 78 78 THR HA H 78 4.147 4.147 4.461 -0.314 18250 4272 1 5 . 1 1 78 78 THR H H 78 8.795 8.795 7.855 0.940 18250 4273 1 5 . 1 1 79 79 ALA HA H 79 4.827 4.827 4.310 0.517 18250 4274 1 5 . 1 1 79 79 ALA C C 79 177.644 177.644 178.004 -0.360 18250 4275 1 5 . 1 1 79 79 ALA CA C 79 51.117 51.117 51.391 -0.274 18250 4276 1 5 . 1 1 79 79 ALA CB C 79 21.518 21.518 20.115 1.403 18250 4277 1 5 . 1 1 80 80 TYR N N 80 121.374 121.374 121.521 -0.147 18250 4278 1 5 . 1 1 80 80 TYR HA H 80 4.648 4.648 3.228 1.420 18250 4279 1 5 . 1 1 80 80 TYR C C 80 176.560 176.560 177.143 -0.583 18250 4280 1 5 . 1 1 80 80 TYR CA C 80 60.846 60.846 61.358 -0.512 18250 4281 1 5 . 1 1 80 80 TYR CB C 80 38.165 38.165 38.174 -0.009 18250 4282 1 5 . 1 1 80 80 TYR H H 80 8.858 8.858 8.759 0.099 18250 4283 1 5 . 1 1 81 81 GLN N N 81 115.124 115.124 118.285 -3.161 18250 4284 1 5 . 1 1 81 81 GLN HA H 81 3.802 3.802 3.633 0.169 18250 4285 1 5 . 1 1 81 81 GLN C C 81 178.330 178.330 177.975 0.355 18250 4286 1 5 . 1 1 81 81 GLN CA C 81 59.911 59.911 59.695 0.216 18250 4287 1 5 . 1 1 81 81 GLN CB C 81 28.016 28.016 28.044 -0.028 18250 4288 1 5 . 1 1 81 81 GLN H H 81 8.532 8.532 8.751 -0.219 18250 4289 1 5 . 1 1 82 82 SER N N 82 114.423 114.423 115.276 -0.853 18250 4290 1 5 . 1 1 82 82 SER HA H 82 4.253 4.253 4.050 0.203 18250 4291 1 5 . 1 1 82 82 SER CA C 82 62.089 62.089 60.891 1.198 18250 4292 1 5 . 1 1 82 82 SER CB C 82 63.338 63.338 62.919 0.419 18250 4293 1 5 . 1 1 82 82 SER H H 82 7.356 7.356 7.542 -0.186 18250 4294 1 5 . 1 1 83 83 PHE HA H 83 3.937 3.937 4.001 -0.064 18250 4295 1 5 . 1 1 83 83 PHE C C 83 175.136 175.136 176.443 -1.307 18250 4296 1 5 . 1 1 83 83 PHE CA C 83 61.335 61.335 60.806 0.529 18250 4297 1 5 . 1 1 83 83 PHE CB C 83 39.433 39.433 39.153 0.280 18250 4298 1 5 . 1 1 84 84 GLU N N 84 119.917 119.917 119.116 0.801 18250 4299 1 5 . 1 1 84 84 GLU HA H 84 3.331 3.331 3.607 -0.276 18250 4300 1 5 . 1 1 84 84 GLU C C 84 177.012 177.012 178.629 -1.617 18250 4301 1 5 . 1 1 84 84 GLU CA C 84 59.146 59.146 59.350 -0.204 18250 4302 1 5 . 1 1 84 84 GLU CB C 84 30.460 30.460 29.040 1.420 18250 4303 1 5 . 1 1 84 84 GLU H H 84 8.659 8.659 8.327 0.332 18250 4304 1 5 . 1 1 85 85 GLN N N 85 115.027 115.027 116.589 -1.562 18250 4305 1 5 . 1 1 85 85 GLN HA H 85 3.888 3.888 3.954 -0.066 18250 4306 1 5 . 1 1 85 85 GLN C C 85 178.571 178.571 177.863 0.708 18250 4307 1 5 . 1 1 85 85 GLN CA C 85 59.103 59.103 57.983 1.121 18250 4308 1 5 . 1 1 85 85 GLN CB C 85 28.586 28.586 28.183 0.403 18250 4309 1 5 . 1 1 85 85 GLN H H 85 7.592 7.592 7.815 -0.223 18250 4310 1 5 . 1 1 86 86 VAL N N 86 118.481 118.481 116.213 2.268 18250 4311 1 5 . 1 1 86 86 VAL HA H 86 3.644 3.644 3.726 -0.082 18250 4312 1 5 . 1 1 86 86 VAL C C 86 177.898 177.898 178.272 -0.374 18250 4313 1 5 . 1 1 86 86 VAL CA C 86 66.100 66.100 64.588 1.512 18250 4314 1 5 . 1 1 86 86 VAL CB C 86 31.799 31.799 32.367 -0.568 18250 4315 1 5 . 1 1 86 86 VAL H H 86 7.164 7.164 7.071 0.093 18250 4316 1 5 . 1 1 87 87 VAL N N 87 119.825 119.825 117.642 2.183 18250 4317 1 5 . 1 1 87 87 VAL HA H 87 3.028 3.028 3.371 -0.343 18250 4318 1 5 . 1 1 87 87 VAL C C 87 177.853 177.853 177.077 0.776 18250 4319 1 5 . 1 1 87 87 VAL CA C 87 66.394 66.394 65.392 1.002 18250 4320 1 5 . 1 1 87 87 VAL CB C 87 31.044 31.044 30.882 0.162 18250 4321 1 5 . 1 1 87 87 VAL H H 87 7.980 7.980 7.382 0.598 18250 4322 1 5 . 1 1 88 88 ASN N N 88 117.625 117.625 117.946 -0.321 18250 4323 1 5 . 1 1 88 88 ASN HA H 88 4.283 4.283 4.493 -0.210 18250 4324 1 5 . 1 1 88 88 ASN C C 88 178.987 178.987 176.975 2.012 18250 4325 1 5 . 1 1 88 88 ASN CA C 88 55.449 55.449 55.110 0.339 18250 4326 1 5 . 1 1 88 88 ASN CB C 88 37.329 37.329 38.228 -0.899 18250 4327 1 5 . 1 1 88 88 ASN H H 88 8.437 8.437 8.382 0.055 18250 4328 1 5 . 1 1 89 89 GLU N N 89 118.940 118.940 119.735 -0.795 18250 4329 1 5 . 1 1 89 89 GLU HA H 89 4.001 4.001 4.101 -0.100 18250 4330 1 5 . 1 1 89 89 GLU C C 89 179.305 179.305 178.640 0.665 18250 4331 1 5 . 1 1 89 89 GLU CA C 89 59.016 59.016 58.318 0.698 18250 4332 1 5 . 1 1 89 89 GLU CB C 89 29.120 29.120 29.428 -0.308 18250 4333 1 5 . 1 1 89 89 GLU H H 89 7.377 7.377 7.812 -0.435 18250 4334 1 5 . 1 1 90 90 LEU N N 90 120.797 120.797 120.447 0.350 18250 4335 1 5 . 1 1 90 90 LEU HA H 90 3.821 3.821 4.009 -0.188 18250 4336 1 5 . 1 1 90 90 LEU C C 90 178.249 178.249 178.476 -0.227 18250 4337 1 5 . 1 1 90 90 LEU CA C 90 57.491 57.491 57.455 0.036 18250 4338 1 5 . 1 1 90 90 LEU CB C 90 41.502 41.502 41.874 -0.372 18250 4339 1 5 . 1 1 90 90 LEU H H 90 7.608 7.608 7.513 0.095 18250 4340 1 5 . 1 1 91 91 PHE N N 91 113.366 113.366 119.520 -6.154 18250 4341 1 5 . 1 1 91 91 PHE HA H 91 4.532 4.532 4.039 0.493 18250 4342 1 5 . 1 1 91 91 PHE C C 91 176.475 176.475 178.026 -1.551 18250 4343 1 5 . 1 1 91 91 PHE CA C 91 57.504 57.504 61.294 -3.790 18250 4344 1 5 . 1 1 91 91 PHE CB C 91 39.470 39.470 39.197 0.273 18250 4345 1 5 . 1 1 91 91 PHE H H 91 7.024 7.024 7.614 -0.590 18250 4346 1 5 . 1 1 92 92 ARG N N 92 123.994 123.994 120.150 3.844 18250 4347 1 5 . 1 1 92 92 ARG HA H 92 3.965 3.965 4.122 -0.157 18250 4348 1 5 . 1 1 92 92 ARG C C 92 177.152 177.152 177.165 -0.013 18250 4349 1 5 . 1 1 92 92 ARG CA C 92 59.743 59.743 58.260 1.483 18250 4350 1 5 . 1 1 92 92 ARG CB C 92 30.171 30.171 29.845 0.327 18250 4351 1 5 . 1 1 92 92 ARG H H 92 7.237 7.237 8.440 -1.203 18250 4352 1 5 . 1 1 93 93 ASP N N 93 116.866 116.866 116.028 0.838 18250 4353 1 5 . 1 1 93 93 ASP HA H 93 4.823 4.823 4.543 0.280 18250 4354 1 5 . 1 1 93 93 ASP C C 93 175.589 175.589 176.512 -0.923 18250 4355 1 5 . 1 1 93 93 ASP CA C 93 54.068 54.068 53.872 0.196 18250 4356 1 5 . 1 1 93 93 ASP CB C 93 40.755 40.755 41.118 -0.363 18250 4357 1 5 . 1 1 93 93 ASP H H 93 8.711 8.711 7.606 1.105 18250 4358 1 5 . 1 1 94 94 GLY N N 94 108.978 108.978 107.604 1.374 18250 4359 1 5 . 1 1 94 94 GLY C C 94 172.635 172.635 174.059 -1.424 18250 4360 1 5 . 1 1 94 94 GLY CA C 94 43.818 43.818 44.342 -0.524 18250 4361 1 5 . 1 1 94 94 GLY H H 94 7.582 7.582 7.489 0.093 18250 4362 1 5 . 1 1 95 95 VAL N N 95 120.777 120.777 118.355 2.422 18250 4363 1 5 . 1 1 95 95 VAL HA H 95 3.545 3.545 3.331 0.214 18250 4364 1 5 . 1 1 95 95 VAL C C 95 174.452 174.452 174.438 0.014 18250 4365 1 5 . 1 1 95 95 VAL CA C 95 62.875 62.875 63.128 -0.253 18250 4366 1 5 . 1 1 95 95 VAL CB C 95 32.148 32.148 31.457 0.691 18250 4367 1 5 . 1 1 95 95 VAL H H 95 8.293 8.293 6.899 1.394 18250 4368 1 5 . 1 1 96 96 ASN N N 96 116.198 116.198 126.325 -10.127 18250 4369 1 5 . 1 1 96 96 ASN HA H 96 4.070 4.070 4.359 -0.289 18250 4370 1 5 . 1 1 96 96 ASN C C 96 175.243 175.243 175.430 -0.187 18250 4371 1 5 . 1 1 96 96 ASN CA C 96 51.784 51.784 51.251 0.533 18250 4372 1 5 . 1 1 96 96 ASN CB C 96 39.849 39.849 40.303 -0.454 18250 4373 1 5 . 1 1 96 96 ASN H H 96 6.401 6.401 7.823 -1.422 18250 4374 1 5 . 1 1 97 97 TRP N N 97 118.776 118.776 121.230 -2.454 18250 4375 1 5 . 1 1 97 97 TRP HA H 97 4.588 4.588 4.377 0.211 18250 4376 1 5 . 1 1 97 97 TRP C C 97 178.207 178.207 178.231 -0.024 18250 4377 1 5 . 1 1 97 97 TRP CA C 97 61.083 61.083 60.060 1.023 18250 4378 1 5 . 1 1 97 97 TRP CB C 97 30.676 30.676 29.340 1.336 18250 4379 1 5 . 1 1 97 97 TRP H H 97 8.530 8.530 8.756 -0.226 18250 4380 1 5 . 1 1 98 98 GLY N N 98 106.573 106.573 106.696 -0.123 18250 4381 1 5 . 1 1 98 98 GLY C C 98 177.485 177.485 175.913 1.572 18250 4382 1 5 . 1 1 98 98 GLY CA C 98 47.505 47.505 46.887 0.618 18250 4383 1 5 . 1 1 98 98 GLY H H 98 8.634 8.634 8.924 -0.290 18250 4384 1 5 . 1 1 99 99 ARG N N 99 121.627 121.627 121.370 0.257 18250 4385 1 5 . 1 1 99 99 ARG HA H 99 3.999 3.999 4.099 -0.100 18250 4386 1 5 . 1 1 99 99 ARG C C 99 177.693 177.693 178.553 -0.860 18250 4387 1 5 . 1 1 99 99 ARG CA C 99 58.487 58.487 57.449 1.038 18250 4388 1 5 . 1 1 99 99 ARG CB C 99 31.363 31.363 29.618 1.745 18250 4389 1 5 . 1 1 99 99 ARG H H 99 8.214 8.214 7.638 0.576 18250 4390 1 5 . 1 1 100 100 ILE N N 100 121.379 121.379 120.803 0.576 18250 4391 1 5 . 1 1 100 100 ILE HA H 100 3.986 3.986 3.955 0.031 18250 4392 1 5 . 1 1 100 100 ILE C C 100 178.143 178.143 177.842 0.301 18250 4393 1 5 . 1 1 100 100 ILE CA C 100 67.148 67.148 65.058 2.090 18250 4394 1 5 . 1 1 100 100 ILE CB C 100 37.099 37.099 37.721 -0.622 18250 4395 1 5 . 1 1 100 100 ILE H H 100 7.810 7.810 7.144 0.666 18250 4396 1 5 . 1 1 101 101 VAL N N 101 121.444 121.444 119.741 1.703 18250 4397 1 5 . 1 1 101 101 VAL HA H 101 3.458 3.458 3.415 0.043 18250 4398 1 5 . 1 1 101 101 VAL C C 101 177.752 177.752 177.892 -0.140 18250 4399 1 5 . 1 1 101 101 VAL CA C 101 68.165 68.165 66.824 1.341 18250 4400 1 5 . 1 1 101 101 VAL CB C 101 31.423 31.423 31.204 0.218 18250 4401 1 5 . 1 1 101 101 VAL H H 101 8.378 8.378 7.672 0.706 18250 4402 1 5 . 1 1 102 102 ALA N N 102 121.864 121.864 122.429 -0.565 18250 4403 1 5 . 1 1 102 102 ALA HA H 102 3.174 3.174 3.522 -0.348 18250 4404 1 5 . 1 1 102 102 ALA C C 102 178.223 178.223 178.547 -0.324 18250 4405 1 5 . 1 1 102 102 ALA CA C 102 55.256 55.256 54.611 0.645 18250 4406 1 5 . 1 1 102 102 ALA CB C 102 18.631 18.631 17.551 1.080 18250 4407 1 5 . 1 1 102 102 ALA H H 102 7.693 7.693 7.758 -0.065 18250 4408 1 5 . 1 1 103 103 PHE N N 103 119.560 119.560 119.389 0.171 18250 4409 1 5 . 1 1 103 103 PHE HA H 103 3.986 3.986 3.999 -0.013 18250 4410 1 5 . 1 1 103 103 PHE C C 103 176.264 176.264 177.177 -0.913 18250 4411 1 5 . 1 1 103 103 PHE CA C 103 60.811 60.811 60.932 -0.121 18250 4412 1 5 . 1 1 103 103 PHE CB C 103 38.585 38.585 39.027 -0.442 18250 4413 1 5 . 1 1 103 103 PHE H H 103 8.096 8.096 7.776 0.320 18250 4414 1 5 . 1 1 104 104 PHE N N 104 120.694 120.694 117.052 3.642 18250 4415 1 5 . 1 1 104 104 PHE HA H 104 3.347 3.347 3.901 -0.554 18250 4416 1 5 . 1 1 104 104 PHE C C 104 177.604 177.604 177.858 -0.254 18250 4417 1 5 . 1 1 104 104 PHE CA C 104 62.995 62.995 60.569 2.426 18250 4418 1 5 . 1 1 104 104 PHE CB C 104 36.626 36.626 38.126 -1.500 18250 4419 1 5 . 1 1 104 104 PHE H H 104 8.087 8.087 8.296 -0.209 18250 4420 1 5 . 1 1 105 105 SER N N 105 114.775 114.775 115.932 -1.157 18250 4421 1 5 . 1 1 105 105 SER HA H 105 4.444 4.444 4.398 0.046 18250 4422 1 5 . 1 1 105 105 SER C C 105 177.605 177.605 176.635 0.970 18250 4423 1 5 . 1 1 105 105 SER CA C 105 63.767 63.767 62.283 1.484 18250 4424 1 5 . 1 1 105 105 SER CB C 105 63.409 63.409 63.021 0.388 18250 4425 1 5 . 1 1 105 105 SER H H 105 8.514 8.514 8.210 0.304 18250 4426 1 5 . 1 1 106 106 PHE N N 106 124.632 124.632 122.260 2.372 18250 4427 1 5 . 1 1 106 106 PHE HA H 106 4.071 4.071 4.346 -0.275 18250 4428 1 5 . 1 1 106 106 PHE C C 106 176.639 176.639 178.378 -1.739 18250 4429 1 5 . 1 1 106 106 PHE CA C 106 60.185 60.185 59.645 0.540 18250 4430 1 5 . 1 1 106 106 PHE CB C 106 38.639 38.639 37.738 0.901 18250 4431 1 5 . 1 1 106 106 PHE H H 106 9.146 9.146 8.120 1.026 18250 4432 1 5 . 1 1 107 107 GLY N N 107 106.495 106.495 107.005 -0.510 18250 4433 1 5 . 1 1 107 107 GLY C C 107 176.647 176.647 176.290 0.357 18250 4434 1 5 . 1 1 107 107 GLY CA C 107 47.998 47.998 47.302 0.696 18250 4435 1 5 . 1 1 107 107 GLY H H 107 8.063 8.063 8.016 0.047 18250 4436 1 5 . 1 1 108 108 GLY N N 108 107.786 107.786 109.851 -2.065 18250 4437 1 5 . 1 1 108 108 GLY C C 108 174.589 174.589 176.345 -1.756 18250 4438 1 5 . 1 1 108 108 GLY CA C 108 47.931 47.931 46.952 0.979 18250 4439 1 5 . 1 1 108 108 GLY H H 108 8.900 8.900 8.126 0.774 18250 4440 1 5 . 1 1 109 109 ALA N N 109 124.959 124.959 125.414 -0.455 18250 4441 1 5 . 1 1 109 109 ALA HA H 109 4.216 4.216 4.200 0.016 18250 4442 1 5 . 1 1 109 109 ALA C C 109 181.113 181.113 179.270 1.843 18250 4443 1 5 . 1 1 109 109 ALA CA C 109 55.098 55.098 54.886 0.212 18250 4444 1 5 . 1 1 109 109 ALA CB C 109 18.418 18.418 18.673 -0.255 18250 4445 1 5 . 1 1 109 109 ALA H H 109 8.343 8.343 7.821 0.522 18250 4446 1 5 . 1 1 110 110 LEU N N 110 119.336 119.336 119.327 0.009 18250 4447 1 5 . 1 1 110 110 LEU HA H 110 4.017 4.017 3.965 0.052 18250 4448 1 5 . 1 1 110 110 LEU C C 110 180.100 180.100 179.192 0.908 18250 4449 1 5 . 1 1 110 110 LEU CA C 110 57.400 57.400 58.171 -0.771 18250 4450 1 5 . 1 1 110 110 LEU CB C 110 42.562 42.562 41.772 0.790 18250 4451 1 5 . 1 1 110 110 LEU H H 110 8.296 8.296 8.540 -0.244 18250 4452 1 5 . 1 1 111 111 CYS N N 111 119.466 119.466 117.016 2.450 18250 4453 1 5 . 1 1 111 111 CYS HA H 111 3.818 3.818 4.103 -0.285 18250 4454 1 5 . 1 1 111 111 CYS C C 111 175.954 175.954 177.015 -1.061 18250 4455 1 5 . 1 1 111 111 CYS CA C 111 64.665 64.665 62.174 2.491 18250 4456 1 5 . 1 1 111 111 CYS CB C 111 26.724 26.724 25.691 1.033 18250 4457 1 5 . 1 1 111 111 CYS H H 111 8.207 8.207 8.648 -0.441 18250 4458 1 5 . 1 1 112 112 VAL N N 112 119.086 119.086 122.486 -3.400 18250 4459 1 5 . 1 1 112 112 VAL HA H 112 3.379 3.379 3.630 -0.251 18250 4460 1 5 . 1 1 112 112 VAL C C 112 177.356 177.356 177.823 -0.467 18250 4461 1 5 . 1 1 112 112 VAL CA C 112 67.316 67.316 66.620 0.696 18250 4462 1 5 . 1 1 112 112 VAL CB C 112 31.944 31.944 31.835 0.109 18250 4463 1 5 . 1 1 112 112 VAL H H 112 8.110 8.110 7.346 0.764 18250 4464 1 5 . 1 1 113 113 GLU N N 113 119.448 119.448 119.279 0.169 18250 4465 1 5 . 1 1 113 113 GLU HA H 113 4.094 4.094 4.052 0.042 18250 4466 1 5 . 1 1 113 113 GLU C C 113 178.264 178.264 179.158 -0.894 18250 4467 1 5 . 1 1 113 113 GLU CA C 113 59.336 59.336 59.109 0.227 18250 4468 1 5 . 1 1 113 113 GLU CB C 113 29.326 29.326 28.933 0.393 18250 4469 1 5 . 1 1 113 113 GLU H H 113 8.190 8.190 8.132 0.058 18250 4470 1 5 . 1 1 114 114 SER N N 114 113.847 113.847 116.020 -2.173 18250 4471 1 5 . 1 1 114 114 SER HA H 114 3.886 3.886 4.162 -0.276 18250 4472 1 5 . 1 1 114 114 SER C C 114 175.485 175.485 175.956 -0.471 18250 4473 1 5 . 1 1 114 114 SER CA C 114 63.249 63.249 62.428 0.821 18250 4474 1 5 . 1 1 114 114 SER CB C 114 62.229 62.229 62.927 -0.698 18250 4475 1 5 . 1 1 114 114 SER H H 114 7.757 7.757 8.141 -0.384 18250 4476 1 5 . 1 1 115 115 VAL N N 115 121.093 121.093 121.896 -0.803 18250 4477 1 5 . 1 1 115 115 VAL HA H 115 3.201 3.201 3.478 -0.277 18250 4478 1 5 . 1 1 115 115 VAL C C 115 179.471 179.471 178.100 1.371 18250 4479 1 5 . 1 1 115 115 VAL CA C 115 66.746 66.746 65.819 0.927 18250 4480 1 5 . 1 1 115 115 VAL CB C 115 31.412 31.412 30.618 0.794 18250 4481 1 5 . 1 1 115 115 VAL H H 115 7.423 7.423 7.477 -0.054 18250 4482 1 5 . 1 1 116 116 ASP N N 116 123.023 123.023 120.793 2.230 18250 4483 1 5 . 1 1 116 116 ASP HA H 116 4.398 4.398 4.404 -0.006 18250 4484 1 5 . 1 1 116 116 ASP C C 116 178.029 178.029 177.623 0.406 18250 4485 1 5 . 1 1 116 116 ASP CA C 116 57.471 57.471 57.148 0.324 18250 4486 1 5 . 1 1 116 116 ASP CB C 116 41.004 41.004 40.573 0.431 18250 4487 1 5 . 1 1 116 116 ASP H H 116 8.365 8.365 8.177 0.188 18250 4488 1 5 . 1 1 117 117 LYS N N 117 116.212 116.212 117.407 -1.195 18250 4489 1 5 . 1 1 117 117 LYS HA H 117 4.384 4.384 4.413 -0.029 18250 4490 1 5 . 1 1 117 117 LYS C C 117 175.049 175.049 175.395 -0.346 18250 4491 1 5 . 1 1 117 117 LYS CA C 117 55.685 55.685 55.873 -0.188 18250 4492 1 5 . 1 1 117 117 LYS CB C 117 32.317 32.317 32.559 -0.242 18250 4493 1 5 . 1 1 117 117 LYS H H 117 7.698 7.698 7.446 0.252 18250 4494 1 5 . 1 1 118 118 GLU N N 118 114.271 114.271 114.696 -0.425 18250 4495 1 5 . 1 1 118 118 GLU HA H 118 3.973 3.973 3.883 0.090 18250 4496 1 5 . 1 1 118 118 GLU C C 118 176.065 176.065 175.717 0.348 18250 4497 1 5 . 1 1 118 118 GLU CA C 118 57.766 57.766 57.686 0.080 18250 4498 1 5 . 1 1 118 118 GLU CB C 118 26.540 26.540 27.354 -0.814 18250 4499 1 5 . 1 1 118 118 GLU H H 118 7.959 7.959 8.189 -0.230 18250 4500 1 5 . 1 1 119 119 MET N N 119 119.260 119.260 118.142 1.118 18250 4501 1 5 . 1 1 119 119 MET HA H 119 4.822 4.822 4.686 0.136 18250 4502 1 5 . 1 1 119 119 MET C C 119 176.817 176.817 175.687 1.130 18250 4503 1 5 . 1 1 119 119 MET CA C 119 53.675 53.675 54.153 -0.478 18250 4504 1 5 . 1 1 119 119 MET CB C 119 31.867 31.867 31.388 0.479 18250 4505 1 5 . 1 1 119 119 MET H H 119 8.542 8.542 8.523 0.019 18250 4506 1 5 . 1 1 120 120 GLN N N 120 119.766 119.766 119.843 -0.077 18250 4507 1 5 . 1 1 120 120 GLN HA H 120 3.489 3.489 3.795 -0.306 18250 4508 1 5 . 1 1 120 120 GLN C C 120 177.471 177.471 177.803 -0.332 18250 4509 1 5 . 1 1 120 120 GLN CA C 120 60.166 60.166 58.818 1.348 18250 4510 1 5 . 1 1 120 120 GLN CB C 120 27.667 27.667 28.813 -1.146 18250 4511 1 5 . 1 1 120 120 GLN H H 120 8.796 8.796 8.232 0.564 18250 4512 1 5 . 1 1 121 121 VAL N N 121 117.292 117.292 113.821 3.471 18250 4513 1 5 . 1 1 121 121 VAL HA H 121 4.056 4.056 3.850 0.206 18250 4514 1 5 . 1 1 121 121 VAL C C 121 175.676 175.676 176.483 -0.807 18250 4515 1 5 . 1 1 121 121 VAL CA C 121 63.612 63.612 64.362 -0.750 18250 4516 1 5 . 1 1 121 121 VAL CB C 121 31.494 31.494 31.418 0.076 18250 4517 1 5 . 1 1 121 121 VAL H H 121 7.959 7.959 7.879 0.080 18250 4518 1 5 . 1 1 122 122 LEU N N 122 117.436 117.436 120.529 -3.093 18250 4519 1 5 . 1 1 122 122 LEU HA H 122 3.872 3.872 4.045 -0.173 18250 4520 1 5 . 1 1 122 122 LEU C C 122 177.962 177.962 178.659 -0.697 18250 4521 1 5 . 1 1 122 122 LEU CA C 122 55.528 55.528 57.407 -1.879 18250 4522 1 5 . 1 1 122 122 LEU CB C 122 41.369 41.369 41.586 -0.217 18250 4523 1 5 . 1 1 122 122 LEU H H 122 7.887 7.887 7.395 0.492 18250 4524 1 5 . 1 1 123 123 VAL N N 123 120.028 120.028 119.538 0.490 18250 4525 1 5 . 1 1 123 123 VAL HA H 123 3.379 3.379 3.546 -0.167 18250 4526 1 5 . 1 1 123 123 VAL C C 123 177.040 177.040 177.098 -0.058 18250 4527 1 5 . 1 1 123 123 VAL CA C 123 67.817 67.817 65.565 2.252 18250 4528 1 5 . 1 1 123 123 VAL CB C 123 30.889 30.889 31.490 -0.601 18250 4529 1 5 . 1 1 123 123 VAL H H 123 7.444 7.444 7.517 -0.073 18250 4530 1 5 . 1 1 124 124 SER N N 124 111.168 111.168 114.013 -2.845 18250 4531 1 5 . 1 1 124 124 SER HA H 124 3.979 3.979 4.246 -0.267 18250 4532 1 5 . 1 1 124 124 SER C C 124 177.070 177.070 176.576 0.494 18250 4533 1 5 . 1 1 124 124 SER CA C 124 61.254 61.254 61.160 0.094 18250 4534 1 5 . 1 1 124 124 SER CB C 124 62.403 62.403 62.718 -0.315 18250 4535 1 5 . 1 1 124 124 SER H H 124 8.394 8.394 7.486 0.908 18250 4536 1 5 . 1 1 125 125 ARG N N 125 123.526 123.526 120.949 2.577 18250 4537 1 5 . 1 1 125 125 ARG HA H 125 3.710 3.710 3.711 -0.001 18250 4538 1 5 . 1 1 125 125 ARG C C 125 175.751 175.751 177.615 -1.864 18250 4539 1 5 . 1 1 125 125 ARG CA C 125 58.738 58.738 58.238 0.500 18250 4540 1 5 . 1 1 125 125 ARG CB C 125 29.845 29.845 29.489 0.356 18250 4541 1 5 . 1 1 125 125 ARG H H 125 6.696 6.696 7.103 -0.407 18250 4542 1 5 . 1 1 126 126 ILE N N 126 118.795 118.795 120.605 -1.810 18250 4543 1 5 . 1 1 126 126 ILE HA H 126 2.855 2.855 3.223 -0.368 18250 4544 1 5 . 1 1 126 126 ILE C C 126 177.974 177.974 177.192 0.782 18250 4545 1 5 . 1 1 126 126 ILE CA C 126 64.959 64.959 65.130 -0.171 18250 4546 1 5 . 1 1 126 126 ILE CB C 126 37.666 37.666 37.459 0.207 18250 4547 1 5 . 1 1 126 126 ILE H H 126 8.124 8.124 8.006 0.118 18250 4548 1 5 . 1 1 127 127 ALA N N 127 119.674 119.674 121.260 -1.586 18250 4549 1 5 . 1 1 127 127 ALA HA H 127 3.902 3.902 3.806 0.096 18250 4550 1 5 . 1 1 127 127 ALA C C 127 179.395 179.395 178.995 0.400 18250 4551 1 5 . 1 1 127 127 ALA CA C 127 55.287 55.287 55.135 0.152 18250 4552 1 5 . 1 1 127 127 ALA CB C 127 18.520 18.520 17.956 0.564 18250 4553 1 5 . 1 1 127 127 ALA H H 127 7.711 7.711 7.523 0.188 18250 4554 1 5 . 1 1 128 128 ALA N N 128 120.850 120.850 121.680 -0.830 18250 4555 1 5 . 1 1 128 128 ALA HA H 128 4.173 4.173 3.952 0.221 18250 4556 1 5 . 1 1 128 128 ALA C C 128 181.038 181.038 179.504 1.534 18250 4557 1 5 . 1 1 128 128 ALA CA C 128 55.261 55.261 54.955 0.306 18250 4558 1 5 . 1 1 128 128 ALA CB C 128 17.822 17.822 18.456 -0.634 18250 4559 1 5 . 1 1 128 128 ALA H H 128 7.356 7.356 7.227 0.129 18250 4560 1 5 . 1 1 129 129 TRP N N 129 121.648 121.648 119.143 2.505 18250 4561 1 5 . 1 1 129 129 TRP C C 129 179.558 179.558 179.031 0.527 18250 4562 1 5 . 1 1 129 129 TRP CA C 129 57.788 57.788 58.328 -0.540 18250 4563 1 5 . 1 1 129 129 TRP CB C 129 28.918 28.918 27.991 0.927 18250 4564 1 5 . 1 1 129 129 TRP H H 129 9.087 9.087 8.141 0.946 18250 4565 1 5 . 1 1 130 130 MET N N 130 117.535 117.535 118.450 -0.915 18250 4566 1 5 . 1 1 130 130 MET HA H 130 4.345 4.345 4.563 -0.218 18250 4567 1 5 . 1 1 130 130 MET C C 130 178.170 178.170 178.928 -0.758 18250 4568 1 5 . 1 1 130 130 MET CA C 130 60.179 60.179 58.983 1.196 18250 4569 1 5 . 1 1 130 130 MET CB C 130 34.928 34.928 31.561 3.367 18250 4570 1 5 . 1 1 130 130 MET H H 130 9.031 9.031 8.716 0.315 18250 4571 1 5 . 1 1 131 131 ALA N N 131 120.973 120.973 121.544 -0.571 18250 4572 1 5 . 1 1 131 131 ALA HA H 131 4.100 4.100 4.158 -0.058 18250 4573 1 5 . 1 1 131 131 ALA C C 131 176.249 176.249 179.649 -3.400 18250 4574 1 5 . 1 1 131 131 ALA CA C 131 56.176 56.176 55.292 0.884 18250 4575 1 5 . 1 1 131 131 ALA CB C 131 17.634 17.634 18.231 -0.597 18250 4576 1 5 . 1 1 131 131 ALA H H 131 8.274 8.274 8.119 0.155 18250 4577 1 5 . 1 1 132 132 THR N N 132 117.211 117.211 117.466 -0.255 18250 4578 1 5 . 1 1 132 132 THR HA H 132 3.959 3.959 3.926 0.033 18250 4579 1 5 . 1 1 132 132 THR C C 132 175.035 175.035 176.387 -1.352 18250 4580 1 5 . 1 1 132 132 THR CA C 132 67.312 67.312 67.974 -0.662 18250 4581 1 5 . 1 1 132 132 THR CB C 132 69.177 69.177 68.861 0.316 18250 4582 1 5 . 1 1 132 132 THR H H 132 8.648 8.648 8.154 0.494 18250 4583 1 5 . 1 1 133 133 TYR N N 133 123.705 123.705 123.870 -0.165 18250 4584 1 5 . 1 1 133 133 TYR HA H 133 4.018 4.018 4.437 -0.419 18250 4585 1 5 . 1 1 133 133 TYR C C 133 179.551 179.551 177.627 1.924 18250 4586 1 5 . 1 1 133 133 TYR CA C 133 63.577 63.577 61.847 1.730 18250 4587 1 5 . 1 1 133 133 TYR CB C 133 39.312 39.312 38.569 0.743 18250 4588 1 5 . 1 1 133 133 TYR H H 133 8.964 8.964 8.585 0.379 18250 4589 1 5 . 1 1 134 134 LEU N N 134 119.671 119.671 120.343 -0.672 18250 4590 1 5 . 1 1 134 134 LEU HA H 134 3.832 3.832 3.880 -0.048 18250 4591 1 5 . 1 1 134 134 LEU C C 134 178.321 178.321 178.380 -0.059 18250 4592 1 5 . 1 1 134 134 LEU CA C 134 59.586 59.586 58.386 1.200 18250 4593 1 5 . 1 1 134 134 LEU CB C 134 42.898 42.898 42.016 0.882 18250 4594 1 5 . 1 1 134 134 LEU H H 134 8.853 8.853 8.650 0.203 18250 4595 1 5 . 1 1 135 135 ASN N N 135 117.661 117.661 115.992 1.669 18250 4596 1 5 . 1 1 135 135 ASN HA H 135 4.353 4.353 4.581 -0.228 18250 4597 1 5 . 1 1 135 135 ASN C C 135 176.407 176.407 176.987 -0.580 18250 4598 1 5 . 1 1 135 135 ASN CA C 135 56.883 56.883 56.123 0.760 18250 4599 1 5 . 1 1 135 135 ASN CB C 135 39.219 39.219 38.727 0.492 18250 4600 1 5 . 1 1 135 135 ASN H H 135 8.455 8.455 8.574 -0.119 18250 4601 1 5 . 1 1 136 136 ASP N N 136 115.939 115.939 118.574 -2.635 18250 4602 1 5 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.533 -0.198 18250 4603 1 5 . 1 1 136 136 ASP C C 136 177.798 177.798 177.791 0.007 18250 4604 1 5 . 1 1 136 136 ASP CA C 136 56.501 56.501 56.360 0.141 18250 4605 1 5 . 1 1 136 136 ASP CB C 136 40.861 40.861 41.551 -0.690 18250 4606 1 5 . 1 1 136 136 ASP H H 136 8.580 8.580 8.440 0.140 18250 4607 1 5 . 1 1 137 137 HIS N N 137 112.071 112.071 117.285 -5.214 18250 4608 1 5 . 1 1 137 137 HIS HA H 137 4.552 4.552 4.242 0.310 18250 4609 1 5 . 1 1 137 137 HIS C C 137 175.780 175.780 176.856 -1.076 18250 4610 1 5 . 1 1 137 137 HIS CA C 137 56.529 56.529 58.126 -1.597 18250 4611 1 5 . 1 1 137 137 HIS CB C 137 30.890 30.890 31.065 -0.175 18250 4612 1 5 . 1 1 137 137 HIS H H 137 8.202 8.202 7.774 0.428 18250 4613 1 5 . 1 1 138 138 LEU N N 138 117.363 117.363 121.006 -3.643 18250 4614 1 5 . 1 1 138 138 LEU HA H 138 4.550 4.550 4.257 0.293 18250 4615 1 5 . 1 1 138 138 LEU C C 138 176.369 176.369 178.029 -1.660 18250 4616 1 5 . 1 1 138 138 LEU CA C 138 55.696 55.696 56.413 -0.717 18250 4617 1 5 . 1 1 138 138 LEU CB C 138 43.465 43.465 42.061 1.404 18250 4618 1 5 . 1 1 138 138 LEU H H 138 7.306 7.306 8.151 -0.845 18250 4619 1 5 . 1 1 139 139 GLU N N 139 121.917 121.917 119.892 2.025 18250 4620 1 5 . 1 1 139 139 GLU HA H 139 4.351 4.351 3.883 0.468 18250 4621 1 5 . 1 1 139 139 GLU C C 139 173.816 173.816 175.967 -2.151 18250 4622 1 5 . 1 1 139 139 GLU CA C 139 60.529 60.529 61.825 -1.296 18250 4623 1 5 . 1 1 139 139 GLU CB C 139 27.774 27.774 27.918 -0.144 18250 4624 1 5 . 1 1 139 139 GLU H H 139 8.706 8.706 8.745 -0.039 18250 4625 1 5 . 1 1 140 140 PRO HA H 140 4.234 4.234 4.156 0.078 18250 4626 1 5 . 1 1 140 140 PRO C C 140 179.159 179.159 178.558 0.601 18250 4627 1 5 . 1 1 140 140 PRO CA C 140 66.582 66.582 66.043 0.539 18250 4628 1 5 . 1 1 140 140 PRO CB C 140 30.747 30.747 31.334 -0.587 18250 4629 1 5 . 1 1 141 141 TRP N N 141 118.367 118.367 119.047 -0.680 18250 4630 1 5 . 1 1 141 141 TRP HA H 141 3.855 3.855 4.377 -0.521 18250 4631 1 5 . 1 1 141 141 TRP C C 141 179.411 179.411 178.266 1.145 18250 4632 1 5 . 1 1 141 141 TRP CA C 141 62.205 62.205 60.806 1.399 18250 4633 1 5 . 1 1 141 141 TRP CB C 141 28.928 28.928 29.361 -0.433 18250 4634 1 5 . 1 1 141 141 TRP H H 141 7.195 7.195 7.627 -0.432 18250 4635 1 5 . 1 1 142 142 ILE N N 142 122.553 122.553 119.683 2.870 18250 4636 1 5 . 1 1 142 142 ILE HA H 142 2.891 2.891 3.294 -0.403 18250 4637 1 5 . 1 1 142 142 ILE C C 142 178.924 178.924 178.103 0.821 18250 4638 1 5 . 1 1 142 142 ILE CA C 142 66.241 66.241 65.338 0.902 18250 4639 1 5 . 1 1 142 142 ILE CB C 142 38.314 38.314 37.450 0.864 18250 4640 1 5 . 1 1 142 142 ILE H H 142 8.511 8.511 8.184 0.327 18250 4641 1 5 . 1 1 143 143 GLN N N 143 116.777 116.777 119.042 -2.265 18250 4642 1 5 . 1 1 143 143 GLN HA H 143 3.920 3.920 3.977 -0.057 18250 4643 1 5 . 1 1 143 143 GLN C C 143 179.455 179.455 178.717 0.738 18250 4644 1 5 . 1 1 143 143 GLN CA C 143 58.567 58.567 58.661 -0.094 18250 4645 1 5 . 1 1 143 143 GLN CB C 143 28.068 28.068 28.235 -0.167 18250 4646 1 5 . 1 1 143 143 GLN H H 143 8.514 8.514 8.550 -0.036 18250 4647 1 5 . 1 1 144 144 GLU N N 144 119.467 119.467 119.508 -0.041 18250 4648 1 5 . 1 1 144 144 GLU HA H 144 4.084 4.084 4.014 0.070 18250 4649 1 5 . 1 1 144 144 GLU C C 144 176.785 176.785 177.597 -0.812 18250 4650 1 5 . 1 1 144 144 GLU CA C 144 57.902 57.902 58.470 -0.568 18250 4651 1 5 . 1 1 144 144 GLU CB C 144 29.915 29.915 29.241 0.674 18250 4652 1 5 . 1 1 144 144 GLU H H 144 7.646 7.646 8.002 -0.356 18250 4653 1 5 . 1 1 145 145 ASN N N 145 116.904 116.904 115.620 1.284 18250 4654 1 5 . 1 1 145 145 ASN HA H 145 4.454 4.454 4.673 -0.219 18250 4655 1 5 . 1 1 145 145 ASN C C 145 173.890 173.890 175.152 -1.262 18250 4656 1 5 . 1 1 145 145 ASN CA C 145 53.652 53.652 53.078 0.574 18250 4657 1 5 . 1 1 145 145 ASN CB C 145 38.204 38.204 39.056 -0.852 18250 4658 1 5 . 1 1 145 145 ASN H H 145 7.195 7.195 7.392 -0.197 18250 4659 1 5 . 1 1 146 146 GLY N N 146 105.175 105.175 107.380 -2.205 18250 4660 1 5 . 1 1 146 146 GLY C C 146 175.977 175.977 174.132 1.845 18250 4661 1 5 . 1 1 146 146 GLY CA C 146 45.723 45.723 44.932 0.791 18250 4662 1 5 . 1 1 146 146 GLY H H 146 7.438 7.438 8.263 -0.825 18250 4663 1 5 . 1 1 147 147 GLY N N 147 108.769 108.769 108.048 0.721 18250 4664 1 5 . 1 1 147 147 GLY C C 147 173.367 173.367 175.033 -1.666 18250 4665 1 5 . 1 1 147 147 GLY CA C 147 44.532 44.532 44.438 0.094 18250 4666 1 5 . 1 1 147 147 GLY H H 147 8.580 8.580 7.637 0.943 18250 4667 1 5 . 1 1 148 148 TRP N N 148 118.433 118.433 122.875 -4.442 18250 4668 1 5 . 1 1 148 148 TRP HA H 148 4.431 4.431 4.403 0.028 18250 4669 1 5 . 1 1 148 148 TRP C C 148 178.434 178.434 177.639 0.795 18250 4670 1 5 . 1 1 148 148 TRP CA C 148 60.558 60.558 60.793 -0.235 18250 4671 1 5 . 1 1 148 148 TRP CB C 148 29.872 29.872 29.590 0.282 18250 4672 1 5 . 1 1 148 148 TRP H H 148 8.715 8.715 8.724 -0.009 18250 4673 1 5 . 1 1 149 149 ASP N N 149 118.214 118.214 117.528 0.686 18250 4674 1 5 . 1 1 149 149 ASP HA H 149 4.446 4.446 4.344 0.102 18250 4675 1 5 . 1 1 149 149 ASP C C 149 179.629 179.629 178.207 1.422 18250 4676 1 5 . 1 1 149 149 ASP CA C 149 57.850 57.850 57.777 0.073 18250 4677 1 5 . 1 1 149 149 ASP CB C 149 40.379 40.379 40.188 0.191 18250 4678 1 5 . 1 1 149 149 ASP H H 149 8.897 8.897 8.794 0.103 18250 4679 1 5 . 1 1 150 150 THR N N 150 117.183 117.183 115.896 1.287 18250 4680 1 5 . 1 1 150 150 THR HA H 150 4.010 4.010 4.034 -0.024 18250 4681 1 5 . 1 1 150 150 THR C C 150 175.220 175.220 176.061 -0.841 18250 4682 1 5 . 1 1 150 150 THR CA C 150 66.376 66.376 66.105 0.271 18250 4683 1 5 . 1 1 150 150 THR CB C 150 68.344 68.344 68.735 -0.391 18250 4684 1 5 . 1 1 150 150 THR H H 150 7.632 7.632 7.871 -0.239 18250 4685 1 5 . 1 1 151 151 PHE N N 151 122.603 122.603 122.004 0.599 18250 4686 1 5 . 1 1 151 151 PHE HA H 151 4.423 4.423 3.631 0.792 18250 4687 1 5 . 1 1 151 151 PHE C C 151 176.703 176.703 176.783 -0.080 18250 4688 1 5 . 1 1 151 151 PHE CA C 151 61.847 61.847 59.990 1.857 18250 4689 1 5 . 1 1 151 151 PHE CB C 151 37.952 37.952 38.534 -0.582 18250 4690 1 5 . 1 1 151 151 PHE H H 151 6.638 6.638 7.266 -0.628 18250 4691 1 5 . 1 1 152 152 VAL N N 152 117.675 117.675 118.497 -0.822 18250 4692 1 5 . 1 1 152 152 VAL HA H 152 3.065 3.065 3.417 -0.352 18250 4693 1 5 . 1 1 152 152 VAL C C 152 178.313 178.313 178.270 0.043 18250 4694 1 5 . 1 1 152 152 VAL CA C 152 66.780 66.780 66.338 0.442 18250 4695 1 5 . 1 1 152 152 VAL CB C 152 31.889 31.889 31.365 0.524 18250 4696 1 5 . 1 1 152 152 VAL H H 152 7.840 7.840 8.583 -0.743 18250 4697 1 5 . 1 1 153 153 GLU N N 153 120.159 120.159 119.966 0.193 18250 4698 1 5 . 1 1 153 153 GLU HA H 153 3.925 3.925 3.964 -0.039 18250 4699 1 5 . 1 1 153 153 GLU C C 153 178.157 178.157 178.835 -0.678 18250 4700 1 5 . 1 1 153 153 GLU CA C 153 59.292 59.292 58.881 0.411 18250 4701 1 5 . 1 1 153 153 GLU CB C 153 29.569 29.569 29.160 0.409 18250 4702 1 5 . 1 1 153 153 GLU H H 153 7.484 7.484 7.813 -0.329 18250 4703 1 5 . 1 1 154 154 LEU N N 154 117.518 117.518 118.483 -0.965 18250 4704 1 5 . 1 1 154 154 LEU HA H 154 4.054 4.054 3.864 0.190 18250 4705 1 5 . 1 1 154 154 LEU C C 154 178.563 178.563 177.413 1.150 18250 4706 1 5 . 1 1 154 154 LEU CA C 154 56.844 56.844 56.867 -0.023 18250 4707 1 5 . 1 1 154 154 LEU CB C 154 43.739 43.739 41.942 1.797 18250 4708 1 5 . 1 1 154 154 LEU H H 154 7.701 7.701 7.199 0.502 18250 4709 1 5 . 1 1 155 155 TYR N N 155 116.466 116.466 113.653 2.813 18250 4710 1 5 . 1 1 155 155 TYR HA H 155 4.227 4.227 4.479 -0.252 18250 4711 1 5 . 1 1 155 155 TYR C C 155 176.835 176.835 175.609 1.226 18250 4712 1 5 . 1 1 155 155 TYR CA C 155 59.639 59.639 57.119 2.520 18250 4713 1 5 . 1 1 155 155 TYR CB C 155 38.891 38.891 38.491 0.400 18250 4714 1 5 . 1 1 155 155 TYR H H 155 8.210 8.210 7.263 0.947 18250 4715 1 5 . 1 1 156 156 GLY N N 156 108.677 108.677 108.824 -0.147 18250 4716 1 5 . 1 1 156 156 GLY C C 156 173.893 173.893 173.914 -0.021 18250 4717 1 5 . 1 1 156 156 GLY CA C 156 45.627 45.627 44.452 1.175 18250 4718 1 5 . 1 1 156 156 GLY H H 156 8.125 8.125 7.744 0.381 18250 4719 1 5 . 1 1 157 157 ASN N N 157 118.537 118.537 118.794 -0.257 18250 4720 1 5 . 1 1 157 157 ASN HA H 157 4.640 4.640 4.718 -0.078 18250 4721 1 5 . 1 1 157 157 ASN C C 157 175.436 175.436 176.896 -1.460 18250 4722 1 5 . 1 1 157 157 ASN CA C 157 53.482 53.482 55.625 -2.143 18250 4723 1 5 . 1 1 157 157 ASN CB C 157 38.726 38.726 39.889 -1.163 18250 4724 1 5 . 1 1 157 157 ASN H H 157 8.429 8.429 8.143 0.286 18250 4725 1 5 . 1 1 158 158 ASN N N 158 119.251 119.251 119.158 0.093 18250 4726 1 5 . 1 1 158 158 ASN HA H 158 4.634 4.634 4.526 0.108 18250 4727 1 5 . 1 1 158 158 ASN C C 158 175.574 175.574 176.351 -0.777 18250 4728 1 5 . 1 1 158 158 ASN CA C 158 53.845 53.845 55.945 -2.100 18250 4729 1 5 . 1 1 158 158 ASN CB C 158 38.841 38.841 38.767 0.074 18250 4730 1 5 . 1 1 158 158 ASN H H 158 8.444 8.444 9.151 -0.707 18250 4731 1 5 . 1 1 159 159 ALA N N 159 123.557 123.557 122.587 0.970 18250 4732 1 5 . 1 1 159 159 ALA HA H 159 4.185 4.185 4.124 0.061 18250 4733 1 5 . 1 1 159 159 ALA C C 159 178.451 178.451 178.969 -0.518 18250 4734 1 5 . 1 1 159 159 ALA CA C 159 53.732 53.732 54.552 -0.820 18250 4735 1 5 . 1 1 159 159 ALA CB C 159 18.793 18.793 17.929 0.864 18250 4736 1 5 . 1 1 159 159 ALA H H 159 8.216 8.216 7.705 0.511 18250 4737 1 5 . 1 1 160 160 ALA N N 160 121.918 121.918 120.665 1.253 18250 4738 1 5 . 1 1 160 160 ALA HA H 160 4.236 4.236 4.076 0.160 18250 4739 1 5 . 1 1 160 160 ALA C C 160 178.493 178.493 179.183 -0.690 18250 4740 1 5 . 1 1 160 160 ALA CA C 160 53.131 53.131 54.662 -1.531 18250 4741 1 5 . 1 1 160 160 ALA CB C 160 18.623 18.623 18.244 0.379 18250 4742 1 5 . 1 1 160 160 ALA H H 160 8.159 8.159 8.518 -0.359 18250 4743 1 5 . 1 1 161 161 ALA N N 161 122.552 122.552 120.405 2.147 18250 4744 1 5 . 1 1 161 161 ALA HA H 161 4.160 4.160 4.149 0.011 18250 4745 1 5 . 1 1 161 161 ALA C C 161 178.993 178.993 179.727 -0.734 18250 4746 1 5 . 1 1 161 161 ALA CA C 161 53.807 53.807 54.555 -0.748 18250 4747 1 5 . 1 1 161 161 ALA CB C 161 18.845 18.845 18.310 0.535 18250 4748 1 5 . 1 1 161 161 ALA H H 161 8.054 8.054 7.513 0.541 18250 4749 1 5 . 1 1 162 162 GLU N N 162 118.709 118.709 119.083 -0.374 18250 4750 1 5 . 1 1 162 162 GLU HA H 162 4.175 4.175 3.971 0.204 18250 4751 1 5 . 1 1 162 162 GLU C C 162 177.630 177.630 179.313 -1.683 18250 4752 1 5 . 1 1 162 162 GLU CA C 162 57.788 57.788 59.081 -1.292 18250 4753 1 5 . 1 1 162 162 GLU CB C 162 29.767 29.767 29.095 0.673 18250 4754 1 5 . 1 1 162 162 GLU H H 162 8.330 8.330 7.969 0.361 18250 4755 1 5 . 1 1 163 163 SER N N 163 115.336 115.336 114.157 1.179 18250 4756 1 5 . 1 1 163 163 SER HA H 163 4.378 4.378 4.206 0.172 18250 4757 1 5 . 1 1 163 163 SER C C 163 175.241 175.241 176.689 -1.448 18250 4758 1 5 . 1 1 163 163 SER CA C 163 59.419 59.419 61.438 -2.019 18250 4759 1 5 . 1 1 163 163 SER CB C 163 63.456 63.456 63.018 0.438 18250 4760 1 5 . 1 1 163 163 SER H H 163 8.122 8.122 8.558 -0.436 18250 4761 1 5 . 1 1 164 164 ARG N N 164 121.905 121.905 123.038 -1.133 18250 4762 1 5 . 1 1 164 164 ARG HA H 164 4.328 4.328 4.065 0.263 18250 4763 1 5 . 1 1 164 164 ARG C C 164 176.812 176.812 178.462 -1.650 18250 4764 1 5 . 1 1 164 164 ARG CA C 164 56.772 56.772 59.388 -2.616 18250 4765 1 5 . 1 1 164 164 ARG CB C 164 30.508 30.508 30.151 0.357 18250 4766 1 5 . 1 1 164 164 ARG H H 164 8.054 8.054 7.365 0.689 18250 4767 1 5 . 1 1 165 165 LYS N N 165 121.165 121.165 117.879 3.286 18250 4768 1 5 . 1 1 165 165 LYS HA H 165 4.247 4.247 4.151 0.096 18250 4769 1 5 . 1 1 165 165 LYS C C 165 177.580 177.580 179.024 -1.444 18250 4770 1 5 . 1 1 165 165 LYS CA C 165 57.272 57.272 58.289 -1.017 18250 4771 1 5 . 1 1 165 165 LYS CB C 165 32.845 32.845 32.089 0.756 18250 4772 1 5 . 1 1 165 165 LYS H H 165 8.111 8.111 7.984 0.127 18250 4773 1 5 . 1 1 166 166 GLY N N 166 109.466 109.466 107.302 2.164 18250 4774 1 5 . 1 1 166 166 GLY C C 166 174.696 174.696 176.177 -1.481 18250 4775 1 5 . 1 1 166 166 GLY CA C 166 45.691 45.691 46.960 -1.269 18250 4776 1 5 . 1 1 166 166 GLY H H 166 8.444 8.444 8.612 -0.168 18250 4777 1 5 . 1 1 167 167 GLN N N 167 119.704 119.704 120.400 -0.696 18250 4778 1 5 . 1 1 167 167 GLN HA H 167 4.342 4.342 4.065 0.277 18250 4779 1 5 . 1 1 167 167 GLN C C 167 176.093 176.093 178.242 -2.149 18250 4780 1 5 . 1 1 167 167 GLN CA C 167 56.161 56.161 59.007 -2.846 18250 4781 1 5 . 1 1 167 167 GLN CB C 167 29.403 29.403 28.169 1.234 18250 4782 1 5 . 1 1 167 167 GLN H H 167 8.143 8.143 7.781 0.362 18250 4783 1 5 . 1 1 168 168 GLU N N 168 121.765 121.765 118.749 3.016 18250 4784 1 5 . 1 1 168 168 GLU HA H 168 4.224 4.224 4.247 -0.023 18250 4785 1 5 . 1 1 168 168 GLU C C 168 176.750 176.750 179.475 -2.725 18250 4786 1 5 . 1 1 168 168 GLU CA C 168 57.344 57.344 59.617 -2.273 18250 4787 1 5 . 1 1 168 168 GLU CB C 168 29.990 29.990 29.037 0.953 18250 4788 1 5 . 1 1 168 168 GLU H H 168 8.526 8.526 8.017 0.509 18250 4789 1 5 . 1 1 169 169 ARG N N 169 121.114 121.114 117.845 3.269 18250 4790 1 5 . 1 1 169 169 ARG HA H 169 4.291 4.291 4.281 0.010 18250 4791 1 5 . 1 1 169 169 ARG C C 169 177.587 177.587 178.080 -0.493 18250 4792 1 5 . 1 1 169 169 ARG CA C 169 56.338 56.338 58.771 -2.433 18250 4793 1 5 . 1 1 169 169 ARG CB C 169 30.516 30.516 29.926 0.590 18250 4794 1 5 . 1 1 169 169 ARG H H 169 8.284 8.284 7.516 0.768 18250 4795 1 5 . 1 1 170 170 LEU N N 170 122.853 122.853 118.287 4.566 18250 4796 1 5 . 1 1 170 170 LEU HA H 170 4.399 4.399 4.137 0.262 18250 4797 1 5 . 1 1 170 170 LEU C C 170 177.364 177.364 177.839 -0.475 18250 4798 1 5 . 1 1 170 170 LEU CA C 170 55.290 55.290 56.272 -0.982 18250 4799 1 5 . 1 1 170 170 LEU CB C 170 42.424 42.424 42.052 0.372 18250 4800 1 5 . 1 1 170 170 LEU H H 170 8.181 8.181 7.500 0.681 18250 4801 1 5 . 1 1 171 171 GLU N N 171 120.823 120.823 116.407 4.416 18250 4802 1 5 . 1 1 171 171 GLU C C 171 176.255 176.255 177.132 -0.877 18250 4803 1 5 . 1 1 171 171 GLU CA C 171 56.725 56.725 58.122 -1.397 18250 4804 1 5 . 1 1 171 171 GLU CB C 171 30.289 30.289 30.082 0.207 18250 4805 1 5 . 1 1 171 171 GLU H H 171 8.352 8.352 7.879 0.473 18250 4806 1 6 . 1 1 2 2 SER N N 2 122.263 122.263 115.398 6.865 18250 4807 1 6 . 1 1 2 2 SER HA H 2 4.270 4.270 4.478 -0.208 18250 4808 1 6 . 1 1 2 2 SER CA C 2 59.961 59.961 61.229 -1.268 18250 4809 1 6 . 1 1 2 2 SER CB C 2 64.958 64.958 63.300 1.658 18250 4810 1 6 . 1 1 2 2 SER H H 2 7.955 7.955 8.712 -0.757 18250 4811 1 6 . 1 1 3 3 GLN HA H 3 4.387 4.387 4.356 0.031 18250 4812 1 6 . 1 1 3 3 GLN C C 3 179.078 179.078 177.871 1.207 18250 4813 1 6 . 1 1 3 3 GLN CA C 3 56.616 56.616 58.161 -1.545 18250 4814 1 6 . 1 1 3 3 GLN CB C 3 29.224 29.224 28.446 0.778 18250 4815 1 6 . 1 1 4 4 SER N N 4 117.102 117.102 114.782 2.320 18250 4816 1 6 . 1 1 4 4 SER HA H 4 4.465 4.465 4.451 0.014 18250 4817 1 6 . 1 1 4 4 SER C C 4 175.930 175.930 176.068 -0.138 18250 4818 1 6 . 1 1 4 4 SER CA C 4 58.994 58.994 60.098 -1.104 18250 4819 1 6 . 1 1 4 4 SER CB C 4 63.490 63.490 62.862 0.628 18250 4820 1 6 . 1 1 4 4 SER H H 4 8.647 8.647 8.114 0.533 18250 4821 1 6 . 1 1 5 5 ASN N N 5 122.476 122.476 121.576 0.900 18250 4822 1 6 . 1 1 5 5 ASN HA H 5 4.744 4.744 4.583 0.161 18250 4823 1 6 . 1 1 5 5 ASN C C 5 177.378 177.378 177.271 0.107 18250 4824 1 6 . 1 1 5 5 ASN CA C 5 56.150 56.150 56.570 -0.420 18250 4825 1 6 . 1 1 5 5 ASN CB C 5 38.363 38.363 38.207 0.156 18250 4826 1 6 . 1 1 5 5 ASN H H 5 8.603 8.603 8.573 0.030 18250 4827 1 6 . 1 1 6 6 ARG N N 6 120.024 120.024 120.114 -0.090 18250 4828 1 6 . 1 1 6 6 ARG HA H 6 3.927 3.927 4.123 -0.196 18250 4829 1 6 . 1 1 6 6 ARG C C 6 177.331 177.331 177.853 -0.522 18250 4830 1 6 . 1 1 6 6 ARG CA C 6 59.861 59.861 59.283 0.578 18250 4831 1 6 . 1 1 6 6 ARG CB C 6 29.756 29.756 30.217 -0.461 18250 4832 1 6 . 1 1 6 6 ARG H H 6 8.252 8.252 7.822 0.430 18250 4833 1 6 . 1 1 7 7 GLU N N 7 117.799 117.799 119.841 -2.042 18250 4834 1 6 . 1 1 7 7 GLU HA H 7 3.907 3.907 4.042 -0.135 18250 4835 1 6 . 1 1 7 7 GLU C C 7 179.388 179.388 178.880 0.508 18250 4836 1 6 . 1 1 7 7 GLU CA C 7 59.380 59.380 59.577 -0.197 18250 4837 1 6 . 1 1 7 7 GLU CB C 7 29.624 29.624 29.259 0.365 18250 4838 1 6 . 1 1 7 7 GLU H H 7 7.953 7.953 7.914 0.039 18250 4839 1 6 . 1 1 8 8 LEU N N 8 119.794 119.794 118.824 0.970 18250 4840 1 6 . 1 1 8 8 LEU HA H 8 3.875 3.875 4.074 -0.199 18250 4841 1 6 . 1 1 8 8 LEU C C 8 178.368 178.368 179.178 -0.810 18250 4842 1 6 . 1 1 8 8 LEU CA C 8 58.116 58.116 57.514 0.602 18250 4843 1 6 . 1 1 8 8 LEU CB C 8 41.926 41.926 41.524 0.402 18250 4844 1 6 . 1 1 8 8 LEU H H 8 7.726 7.726 7.336 0.390 18250 4845 1 6 . 1 1 9 9 VAL N N 9 117.818 117.818 119.514 -1.696 18250 4846 1 6 . 1 1 9 9 VAL HA H 9 3.678 3.678 3.324 0.354 18250 4847 1 6 . 1 1 9 9 VAL C C 9 177.085 177.085 178.054 -0.969 18250 4848 1 6 . 1 1 9 9 VAL CA C 9 67.766 67.766 65.701 2.065 18250 4849 1 6 . 1 1 9 9 VAL CB C 9 32.429 32.429 30.745 1.684 18250 4850 1 6 . 1 1 9 9 VAL H H 9 7.765 7.765 7.284 0.481 18250 4851 1 6 . 1 1 10 10 VAL N N 10 117.317 117.317 120.823 -3.506 18250 4852 1 6 . 1 1 10 10 VAL HA H 10 2.926 2.926 3.164 -0.238 18250 4853 1 6 . 1 1 10 10 VAL C C 10 178.588 178.588 177.453 1.135 18250 4854 1 6 . 1 1 10 10 VAL CA C 10 67.029 67.029 67.365 -0.336 18250 4855 1 6 . 1 1 10 10 VAL CB C 10 31.401 31.401 31.333 0.068 18250 4856 1 6 . 1 1 10 10 VAL H H 10 8.333 8.333 8.432 -0.099 18250 4857 1 6 . 1 1 11 11 ASP N N 11 120.859 120.859 118.568 2.291 18250 4858 1 6 . 1 1 11 11 ASP HA H 11 4.083 4.083 4.271 -0.188 18250 4859 1 6 . 1 1 11 11 ASP C C 11 177.495 177.495 178.738 -1.243 18250 4860 1 6 . 1 1 11 11 ASP CA C 11 58.947 58.947 56.840 2.107 18250 4861 1 6 . 1 1 11 11 ASP CB C 11 43.345 43.345 40.927 2.418 18250 4862 1 6 . 1 1 11 11 ASP H H 11 8.070 8.070 8.439 -0.369 18250 4863 1 6 . 1 1 12 12 PHE N N 12 120.293 120.293 121.040 -0.747 18250 4864 1 6 . 1 1 12 12 PHE HA H 12 3.953 3.953 4.178 -0.225 18250 4865 1 6 . 1 1 12 12 PHE C C 12 178.083 178.083 176.925 1.158 18250 4866 1 6 . 1 1 12 12 PHE CA C 12 63.221 63.221 61.242 1.979 18250 4867 1 6 . 1 1 12 12 PHE CB C 12 40.134 40.134 39.443 0.691 18250 4868 1 6 . 1 1 12 12 PHE H H 12 8.327 8.327 7.439 0.888 18250 4869 1 6 . 1 1 13 13 LEU N N 13 116.845 116.845 119.483 -2.638 18250 4870 1 6 . 1 1 13 13 LEU HA H 13 3.990 3.990 3.918 0.072 18250 4871 1 6 . 1 1 13 13 LEU C C 13 179.454 179.454 179.005 0.449 18250 4872 1 6 . 1 1 13 13 LEU CA C 13 58.291 58.291 58.012 0.279 18250 4873 1 6 . 1 1 13 13 LEU CB C 13 41.739 41.739 41.233 0.506 18250 4874 1 6 . 1 1 13 13 LEU H H 13 8.907 8.907 8.304 0.603 18250 4875 1 6 . 1 1 14 14 SER N N 14 114.306 114.306 114.901 -0.595 18250 4876 1 6 . 1 1 14 14 SER HA H 14 4.257 4.257 4.154 0.103 18250 4877 1 6 . 1 1 14 14 SER C C 14 177.281 177.281 176.725 0.556 18250 4878 1 6 . 1 1 14 14 SER CA C 14 62.641 62.641 61.178 1.463 18250 4879 1 6 . 1 1 14 14 SER CB C 14 62.594 62.594 62.755 -0.161 18250 4880 1 6 . 1 1 14 14 SER H H 14 8.503 8.503 8.349 0.154 18250 4881 1 6 . 1 1 15 15 TYR N N 15 124.988 124.988 124.701 0.287 18250 4882 1 6 . 1 1 15 15 TYR HA H 15 4.388 4.388 4.106 0.282 18250 4883 1 6 . 1 1 15 15 TYR C C 15 178.247 178.247 177.120 1.127 18250 4884 1 6 . 1 1 15 15 TYR CA C 15 60.311 60.311 61.883 -1.573 18250 4885 1 6 . 1 1 15 15 TYR CB C 15 37.990 37.990 38.298 -0.308 18250 4886 1 6 . 1 1 15 15 TYR H H 15 8.252 8.252 7.732 0.520 18250 4887 1 6 . 1 1 16 16 LYS N N 16 120.256 120.256 118.265 1.991 18250 4888 1 6 . 1 1 16 16 LYS HA H 16 3.829 3.829 3.983 -0.154 18250 4889 1 6 . 1 1 16 16 LYS C C 16 180.272 180.272 179.220 1.052 18250 4890 1 6 . 1 1 16 16 LYS CA C 16 57.063 57.063 58.573 -1.510 18250 4891 1 6 . 1 1 16 16 LYS CB C 16 29.849 29.849 32.184 -2.335 18250 4892 1 6 . 1 1 16 16 LYS H H 16 8.331 8.331 7.667 0.664 18250 4893 1 6 . 1 1 17 17 LEU N N 17 118.564 118.564 119.983 -1.419 18250 4894 1 6 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.136 -0.061 18250 4895 1 6 . 1 1 17 17 LEU C C 17 179.917 179.917 179.081 0.836 18250 4896 1 6 . 1 1 17 17 LEU CA C 17 58.693 58.693 57.968 0.725 18250 4897 1 6 . 1 1 17 17 LEU CB C 17 41.178 41.178 41.708 -0.530 18250 4898 1 6 . 1 1 17 17 LEU H H 17 8.726 8.726 8.115 0.611 18250 4899 1 6 . 1 1 18 18 SER N N 18 117.861 117.861 114.697 3.164 18250 4900 1 6 . 1 1 18 18 SER HA H 18 4.696 4.696 4.364 0.332 18250 4901 1 6 . 1 1 18 18 SER C C 18 178.612 178.612 176.201 2.411 18250 4902 1 6 . 1 1 18 18 SER CA C 18 61.783 61.783 61.592 0.191 18250 4903 1 6 . 1 1 18 18 SER CB C 18 62.613 62.613 62.980 -0.367 18250 4904 1 6 . 1 1 18 18 SER H H 18 8.394 8.394 8.548 -0.154 18250 4905 1 6 . 1 1 19 19 GLN N N 19 122.899 122.899 119.292 3.607 18250 4906 1 6 . 1 1 19 19 GLN HA H 19 4.017 4.017 4.040 -0.023 18250 4907 1 6 . 1 1 19 19 GLN C C 19 177.237 177.237 176.969 0.268 18250 4908 1 6 . 1 1 19 19 GLN CA C 19 58.536 58.536 57.904 0.632 18250 4909 1 6 . 1 1 19 19 GLN CB C 19 28.795 28.795 28.370 0.425 18250 4910 1 6 . 1 1 19 19 GLN H H 19 7.691 7.691 7.329 0.362 18250 4911 1 6 . 1 1 20 20 LYS N N 20 116.425 116.425 117.271 -0.846 18250 4912 1 6 . 1 1 20 20 LYS HA H 20 4.425 4.425 4.213 0.212 18250 4913 1 6 . 1 1 20 20 LYS C C 20 175.581 175.581 176.106 -0.525 18250 4914 1 6 . 1 1 20 20 LYS CA C 20 54.032 54.032 55.381 -1.349 18250 4915 1 6 . 1 1 20 20 LYS CB C 20 32.659 32.659 32.200 0.459 18250 4916 1 6 . 1 1 20 20 LYS H H 20 7.268 7.268 7.428 -0.160 18250 4917 1 6 . 1 1 21 21 GLY N N 21 105.593 105.593 107.215 -1.622 18250 4918 1 6 . 1 1 21 21 GLY C C 21 174.012 174.012 174.120 -0.108 18250 4919 1 6 . 1 1 21 21 GLY CA C 21 45.316 45.316 45.354 -0.038 18250 4920 1 6 . 1 1 21 21 GLY H H 21 7.620 7.620 7.451 0.169 18250 4921 1 6 . 1 1 22 22 TYR N N 22 119.884 119.884 119.335 0.549 18250 4922 1 6 . 1 1 22 22 TYR HA H 22 5.047 5.047 4.825 0.222 18250 4923 1 6 . 1 1 22 22 TYR C C 22 175.024 175.024 174.811 0.213 18250 4924 1 6 . 1 1 22 22 TYR CA C 22 55.645 55.645 55.297 0.348 18250 4925 1 6 . 1 1 22 22 TYR CB C 22 40.969 40.969 40.386 0.583 18250 4926 1 6 . 1 1 22 22 TYR H H 22 7.892 7.892 8.190 -0.298 18250 4927 1 6 . 1 1 23 23 SER N N 23 115.410 115.410 118.064 -2.654 18250 4928 1 6 . 1 1 23 23 SER HA H 23 4.863 4.863 4.769 0.094 18250 4929 1 6 . 1 1 23 23 SER C C 23 174.483 174.483 175.208 -0.725 18250 4930 1 6 . 1 1 23 23 SER CA C 23 56.776 56.776 57.071 -0.294 18250 4931 1 6 . 1 1 23 23 SER CB C 23 64.778 64.778 63.572 1.206 18250 4932 1 6 . 1 1 23 23 SER H H 23 8.561 8.561 8.761 -0.200 18250 4933 1 6 . 1 1 24 24 TRP N N 24 127.533 127.533 128.753 -1.220 18250 4934 1 6 . 1 1 24 24 TRP HA H 24 4.346 4.346 4.460 -0.114 18250 4935 1 6 . 1 1 24 24 TRP C C 24 176.876 176.876 176.584 0.292 18250 4936 1 6 . 1 1 24 24 TRP CA C 24 60.051 60.051 61.252 -1.201 18250 4937 1 6 . 1 1 24 24 TRP CB C 24 30.824 30.824 29.469 1.355 18250 4938 1 6 . 1 1 24 24 TRP H H 24 9.026 9.026 9.017 0.009 18250 4939 1 6 . 1 1 25 25 SER N N 25 112.236 112.236 112.717 -0.481 18250 4940 1 6 . 1 1 25 25 SER HA H 25 4.104 4.104 4.102 0.002 18250 4941 1 6 . 1 1 25 25 SER C C 25 175.164 175.164 176.109 -0.945 18250 4942 1 6 . 1 1 25 25 SER CA C 25 60.033 60.033 61.142 -1.109 18250 4943 1 6 . 1 1 25 25 SER CB C 25 62.931 62.931 62.470 0.461 18250 4944 1 6 . 1 1 25 25 SER H H 25 8.236 8.236 8.482 -0.246 18250 4945 1 6 . 1 1 26 26 GLN N N 26 119.530 119.530 118.959 0.571 18250 4946 1 6 . 1 1 26 26 GLN HA H 26 3.895 3.895 3.989 -0.094 18250 4947 1 6 . 1 1 26 26 GLN C C 26 176.075 176.075 176.793 -0.718 18250 4948 1 6 . 1 1 26 26 GLN CA C 26 56.959 56.959 57.186 -0.227 18250 4949 1 6 . 1 1 26 26 GLN CB C 26 28.764 28.764 28.465 0.299 18250 4950 1 6 . 1 1 26 26 GLN H H 26 7.467 7.467 7.365 0.102 18250 4951 1 6 . 1 1 27 27 PHE N N 27 116.668 116.668 114.959 1.709 18250 4952 1 6 . 1 1 27 27 PHE HA H 27 4.594 4.594 4.463 0.131 18250 4953 1 6 . 1 1 27 27 PHE C C 27 175.107 175.107 174.385 0.722 18250 4954 1 6 . 1 1 27 27 PHE CA C 27 56.629 56.629 56.583 0.046 18250 4955 1 6 . 1 1 27 27 PHE CB C 27 39.909 39.909 39.141 0.768 18250 4956 1 6 . 1 1 27 27 PHE H H 27 7.343 7.343 7.310 0.033 18250 4957 1 6 . 1 1 28 28 SER N N 28 114.121 114.121 116.125 -2.004 18250 4958 1 6 . 1 1 28 28 SER HA H 28 4.151 4.151 4.269 -0.118 18250 4959 1 6 . 1 1 28 28 SER C C 28 173.703 173.703 174.276 -0.573 18250 4960 1 6 . 1 1 28 28 SER CA C 28 57.662 57.662 57.857 -0.195 18250 4961 1 6 . 1 1 28 28 SER CB C 28 63.931 63.931 63.990 -0.059 18250 4962 1 6 . 1 1 28 28 SER H H 28 7.336 7.336 6.938 0.398 18250 4963 1 6 . 1 1 29 29 ASP N N 29 122.733 122.733 126.912 -4.179 18250 4964 1 6 . 1 1 29 29 ASP HA H 29 4.601 4.601 4.582 0.019 18250 4965 1 6 . 1 1 29 29 ASP C C 29 176.320 176.320 175.965 0.355 18250 4966 1 6 . 1 1 29 29 ASP CA C 29 54.194 54.194 54.406 -0.212 18250 4967 1 6 . 1 1 29 29 ASP CB C 29 41.145 41.145 40.315 0.830 18250 4968 1 6 . 1 1 29 29 ASP H H 29 8.370 8.370 8.656 -0.286 18250 4969 1 6 . 1 1 30 30 VAL N N 30 119.197 119.197 123.130 -3.933 18250 4970 1 6 . 1 1 30 30 VAL HA H 30 4.096 4.096 3.817 0.279 18250 4971 1 6 . 1 1 30 30 VAL C C 30 176.232 176.232 177.046 -0.814 18250 4972 1 6 . 1 1 30 30 VAL CA C 30 62.417 62.417 64.718 -2.301 18250 4973 1 6 . 1 1 30 30 VAL CB C 30 33.024 33.024 32.731 0.293 18250 4974 1 6 . 1 1 30 30 VAL H H 30 7.968 7.968 7.735 0.233 18250 4975 1 6 . 1 1 31 31 GLU N N 31 124.470 124.470 117.804 6.666 18250 4976 1 6 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.093 0.167 18250 4977 1 6 . 1 1 31 31 GLU C C 31 176.526 176.526 178.295 -1.769 18250 4978 1 6 . 1 1 31 31 GLU CA C 31 56.706 56.706 58.615 -1.909 18250 4979 1 6 . 1 1 31 31 GLU CB C 31 30.250 30.250 28.844 1.406 18250 4980 1 6 . 1 1 31 31 GLU H H 31 8.502 8.502 8.654 -0.152 18250 4981 1 6 . 1 1 32 32 GLU N N 32 122.145 122.145 118.115 4.030 18250 4982 1 6 . 1 1 32 32 GLU HA H 32 4.233 4.233 4.221 0.012 18250 4983 1 6 . 1 1 32 32 GLU C C 32 176.172 176.172 175.961 0.211 18250 4984 1 6 . 1 1 32 32 GLU CA C 32 56.732 56.732 57.130 -0.398 18250 4985 1 6 . 1 1 32 32 GLU CB C 32 30.643 30.643 29.439 1.204 18250 4986 1 6 . 1 1 32 32 GLU H H 32 8.426 8.426 8.191 0.235 18250 4987 1 6 . 1 1 33 33 ASN N N 33 119.562 119.562 117.700 1.862 18250 4988 1 6 . 1 1 33 33 ASN HA H 33 4.708 4.708 4.797 -0.089 18250 4989 1 6 . 1 1 33 33 ASN C C 33 174.983 174.983 173.918 1.065 18250 4990 1 6 . 1 1 33 33 ASN CA C 33 53.360 53.360 53.231 0.129 18250 4991 1 6 . 1 1 33 33 ASN CB C 33 38.994 38.994 39.293 -0.299 18250 4992 1 6 . 1 1 33 33 ASN H H 33 8.503 8.503 7.535 0.968 18250 4993 1 6 . 1 1 34 34 ARG N N 34 122.040 122.040 125.939 -3.899 18250 4994 1 6 . 1 1 34 34 ARG HA H 34 4.411 4.411 4.527 -0.116 18250 4995 1 6 . 1 1 34 34 ARG C C 34 176.470 176.470 175.480 0.990 18250 4996 1 6 . 1 1 34 34 ARG CA C 34 56.151 56.151 55.993 0.158 18250 4997 1 6 . 1 1 34 34 ARG CB C 34 30.891 30.891 28.837 2.054 18250 4998 1 6 . 1 1 34 34 ARG H H 34 8.330 8.330 8.521 -0.191 18250 4999 1 6 . 1 1 35 35 THR N N 35 115.850 115.850 120.725 -4.875 18250 5000 1 6 . 1 1 35 35 THR HA H 35 4.329 4.329 4.467 -0.138 18250 5001 1 6 . 1 1 35 35 THR C C 35 174.429 174.429 173.981 0.448 18250 5002 1 6 . 1 1 35 35 THR CA C 35 62.079 62.079 61.987 0.092 18250 5003 1 6 . 1 1 35 35 THR CB C 35 69.825 69.825 69.194 0.631 18250 5004 1 6 . 1 1 35 35 THR H H 35 8.283 8.283 7.966 0.317 18250 5005 1 6 . 1 1 36 36 GLU N N 36 123.074 123.074 125.907 -2.833 18250 5006 1 6 . 1 1 36 36 GLU HA H 36 4.311 4.311 4.534 -0.223 18250 5007 1 6 . 1 1 36 36 GLU C C 36 175.641 175.641 175.895 -0.254 18250 5008 1 6 . 1 1 36 36 GLU CA C 36 56.396 56.396 55.884 0.512 18250 5009 1 6 . 1 1 36 36 GLU CB C 36 30.379 30.379 30.840 -0.461 18250 5010 1 6 . 1 1 36 36 GLU H H 36 8.402 8.402 8.644 -0.242 18250 5011 1 6 . 1 1 37 37 ALA N N 37 126.190 126.190 127.991 -1.801 18250 5012 1 6 . 1 1 37 37 ALA HA H 37 4.613 4.613 4.614 -0.001 18250 5013 1 6 . 1 1 37 37 ALA C C 37 175.419 175.419 176.022 -0.603 18250 5014 1 6 . 1 1 37 37 ALA CA C 37 50.532 50.532 50.455 0.077 18250 5015 1 6 . 1 1 37 37 ALA CB C 37 18.633 18.633 18.605 0.028 18250 5016 1 6 . 1 1 37 37 ALA H H 37 8.314 8.314 8.353 -0.039 18250 5017 1 6 . 1 1 38 38 PRO HA H 38 4.427 4.427 4.482 -0.055 18250 5018 1 6 . 1 1 38 38 PRO C C 38 177.029 177.029 176.186 0.843 18250 5019 1 6 . 1 1 38 38 PRO CA C 38 63.216 63.216 61.828 1.389 18250 5020 1 6 . 1 1 38 38 PRO CB C 38 32.134 32.134 32.592 -0.458 18250 5021 1 6 . 1 1 39 39 GLU N N 39 121.295 121.295 119.675 1.620 18250 5022 1 6 . 1 1 39 39 GLU HA H 39 4.301 4.301 4.210 0.091 18250 5023 1 6 . 1 1 39 39 GLU C C 39 177.079 177.079 176.644 0.435 18250 5024 1 6 . 1 1 39 39 GLU CA C 39 56.836 56.836 56.408 0.428 18250 5025 1 6 . 1 1 39 39 GLU CB C 39 30.441 30.441 29.188 1.253 18250 5026 1 6 . 1 1 39 39 GLU H H 39 8.640 8.640 8.540 0.100 18250 5027 1 6 . 1 1 40 40 GLY N N 40 110.317 110.317 114.059 -3.742 18250 5028 1 6 . 1 1 40 40 GLY C C 40 174.602 174.602 174.603 -0.001 18250 5029 1 6 . 1 1 40 40 GLY CA C 40 45.485 45.485 44.850 0.635 18250 5030 1 6 . 1 1 40 40 GLY H H 40 8.521 8.521 8.208 0.313 18250 5031 1 6 . 1 1 41 41 THR N N 41 113.178 113.178 121.581 -8.403 18250 5032 1 6 . 1 1 41 41 THR HA H 41 4.385 4.385 4.029 0.356 18250 5033 1 6 . 1 1 41 41 THR C C 41 175.499 175.499 176.207 -0.708 18250 5034 1 6 . 1 1 41 41 THR CA C 41 62.273 62.273 65.684 -3.411 18250 5035 1 6 . 1 1 41 41 THR CB C 41 69.917 69.917 68.975 0.942 18250 5036 1 6 . 1 1 41 41 THR H H 41 8.268 8.268 8.446 -0.178 18250 5037 1 6 . 1 1 42 42 GLU N N 42 123.140 123.140 121.837 1.303 18250 5038 1 6 . 1 1 42 42 GLU HA H 42 4.371 4.371 4.035 0.336 18250 5039 1 6 . 1 1 42 42 GLU C C 42 177.161 177.161 178.056 -0.895 18250 5040 1 6 . 1 1 42 42 GLU CA C 42 57.492 57.492 59.328 -1.836 18250 5041 1 6 . 1 1 42 42 GLU CB C 42 29.924 29.924 27.998 1.926 18250 5042 1 6 . 1 1 42 42 GLU H H 42 8.847 8.847 8.908 -0.061 18250 5043 1 6 . 1 1 43 43 SER N N 43 115.679 115.679 116.076 -0.397 18250 5044 1 6 . 1 1 43 43 SER HA H 43 4.430 4.430 4.003 0.427 18250 5045 1 6 . 1 1 43 43 SER C C 43 175.673 175.673 176.317 -0.644 18250 5046 1 6 . 1 1 43 43 SER CA C 43 58.925 58.925 61.882 -2.957 18250 5047 1 6 . 1 1 43 43 SER CB C 43 63.710 63.710 62.696 1.014 18250 5048 1 6 . 1 1 43 43 SER H H 43 8.510 8.510 8.573 -0.063 18250 5049 1 6 . 1 1 44 44 GLU N N 44 123.102 123.102 119.582 3.520 18250 5050 1 6 . 1 1 44 44 GLU HA H 44 3.992 3.992 4.119 -0.127 18250 5051 1 6 . 1 1 44 44 GLU C C 44 177.924 177.924 178.341 -0.417 18250 5052 1 6 . 1 1 44 44 GLU CA C 44 59.074 59.074 58.260 0.814 18250 5053 1 6 . 1 1 44 44 GLU CB C 44 29.413 29.413 29.577 -0.164 18250 5054 1 6 . 1 1 44 44 GLU H H 44 8.350 8.350 7.833 0.517 18250 5055 1 6 . 1 1 45 45 ALA N N 45 120.958 120.958 123.216 -2.258 18250 5056 1 6 . 1 1 45 45 ALA HA H 45 4.131 4.131 4.184 -0.053 18250 5057 1 6 . 1 1 45 45 ALA C C 45 180.641 180.641 179.131 1.510 18250 5058 1 6 . 1 1 45 45 ALA CA C 45 55.157 55.157 54.660 0.497 18250 5059 1 6 . 1 1 45 45 ALA CB C 45 18.575 18.575 19.025 -0.450 18250 5060 1 6 . 1 1 45 45 ALA H H 45 8.227 8.227 7.764 0.463 18250 5061 1 6 . 1 1 46 46 VAL N N 46 118.867 118.867 119.764 -0.897 18250 5062 1 6 . 1 1 46 46 VAL HA H 46 3.496 3.496 3.606 -0.110 18250 5063 1 6 . 1 1 46 46 VAL C C 46 176.724 176.724 176.869 -0.145 18250 5064 1 6 . 1 1 46 46 VAL CA C 46 66.189 66.189 65.272 0.917 18250 5065 1 6 . 1 1 46 46 VAL CB C 46 31.811 31.811 31.281 0.530 18250 5066 1 6 . 1 1 46 46 VAL H H 46 7.569 7.569 8.341 -0.772 18250 5067 1 6 . 1 1 47 47 LYS N N 47 117.922 117.922 119.630 -1.708 18250 5068 1 6 . 1 1 47 47 LYS HA H 47 3.719 3.719 3.813 -0.094 18250 5069 1 6 . 1 1 47 47 LYS C C 47 178.888 178.888 178.575 0.313 18250 5070 1 6 . 1 1 47 47 LYS CA C 47 59.801 59.801 60.165 -0.364 18250 5071 1 6 . 1 1 47 47 LYS CB C 47 32.514 32.514 32.089 0.425 18250 5072 1 6 . 1 1 47 47 LYS H H 47 7.437 7.437 8.127 -0.690 18250 5073 1 6 . 1 1 48 48 GLN N N 48 116.490 116.490 118.000 -1.510 18250 5074 1 6 . 1 1 48 48 GLN HA H 48 3.712 3.712 4.102 -0.390 18250 5075 1 6 . 1 1 48 48 GLN C C 48 177.625 177.625 177.690 -0.065 18250 5076 1 6 . 1 1 48 48 GLN CA C 48 59.027 59.027 58.308 0.719 18250 5077 1 6 . 1 1 48 48 GLN CB C 48 28.103 28.103 28.567 -0.464 18250 5078 1 6 . 1 1 48 48 GLN H H 48 8.168 8.168 7.382 0.786 18250 5079 1 6 . 1 1 49 49 ALA N N 49 120.362 120.362 124.334 -3.972 18250 5080 1 6 . 1 1 49 49 ALA HA H 49 4.227 4.227 3.946 0.281 18250 5081 1 6 . 1 1 49 49 ALA C C 49 179.807 179.807 179.784 0.023 18250 5082 1 6 . 1 1 49 49 ALA CA C 49 54.930 54.930 55.165 -0.235 18250 5083 1 6 . 1 1 49 49 ALA CB C 49 18.708 18.708 18.248 0.459 18250 5084 1 6 . 1 1 49 49 ALA H H 49 7.789 7.789 8.175 -0.386 18250 5085 1 6 . 1 1 50 50 LEU N N 50 120.591 120.591 117.721 2.870 18250 5086 1 6 . 1 1 50 50 LEU HA H 50 4.151 4.151 4.220 -0.069 18250 5087 1 6 . 1 1 50 50 LEU C C 50 179.225 179.225 179.085 0.140 18250 5088 1 6 . 1 1 50 50 LEU CA C 50 58.581 58.581 57.471 1.110 18250 5089 1 6 . 1 1 50 50 LEU CB C 50 42.279 42.279 40.531 1.748 18250 5090 1 6 . 1 1 50 50 LEU H H 50 8.491 8.491 8.606 -0.115 18250 5091 1 6 . 1 1 51 51 ARG N N 51 118.934 118.934 120.376 -1.442 18250 5092 1 6 . 1 1 51 51 ARG HA H 51 3.772 3.772 3.664 0.108 18250 5093 1 6 . 1 1 51 51 ARG C C 51 178.618 178.618 178.524 0.094 18250 5094 1 6 . 1 1 51 51 ARG CA C 51 60.954 60.954 59.505 1.449 18250 5095 1 6 . 1 1 51 51 ARG CB C 51 30.888 30.888 29.934 0.954 18250 5096 1 6 . 1 1 51 51 ARG H H 51 8.170 8.170 7.525 0.645 18250 5097 1 6 . 1 1 52 52 GLU N N 52 116.532 116.532 118.013 -1.481 18250 5098 1 6 . 1 1 52 52 GLU HA H 52 4.156 4.156 4.303 -0.147 18250 5099 1 6 . 1 1 52 52 GLU C C 52 179.937 179.937 178.304 1.633 18250 5100 1 6 . 1 1 52 52 GLU CA C 52 59.383 59.383 58.425 0.958 18250 5101 1 6 . 1 1 52 52 GLU CB C 52 29.640 29.640 29.680 -0.040 18250 5102 1 6 . 1 1 52 52 GLU H H 52 7.914 7.914 8.271 -0.357 18250 5103 1 6 . 1 1 53 53 ALA N N 53 123.226 123.226 122.283 0.943 18250 5104 1 6 . 1 1 53 53 ALA HA H 53 4.473 4.473 3.257 1.216 18250 5105 1 6 . 1 1 53 53 ALA C C 53 181.683 181.683 179.461 2.222 18250 5106 1 6 . 1 1 53 53 ALA CA C 53 55.114 55.114 54.488 0.626 18250 5107 1 6 . 1 1 53 53 ALA CB C 53 19.476 19.476 17.928 1.548 18250 5108 1 6 . 1 1 53 53 ALA H H 53 8.902 8.902 8.049 0.853 18250 5109 1 6 . 1 1 54 54 GLY N N 54 108.711 108.711 105.583 3.128 18250 5110 1 6 . 1 1 54 54 GLY C C 54 175.330 175.330 175.945 -0.615 18250 5111 1 6 . 1 1 54 54 GLY CA C 54 47.111 47.111 47.223 -0.112 18250 5112 1 6 . 1 1 54 54 GLY H H 54 9.186 9.186 8.150 1.036 18250 5113 1 6 . 1 1 55 55 ASP N N 55 122.891 122.891 121.616 1.275 18250 5114 1 6 . 1 1 55 55 ASP C C 55 179.023 179.023 178.181 0.842 18250 5115 1 6 . 1 1 55 55 ASP CA C 55 57.752 57.752 57.511 0.241 18250 5116 1 6 . 1 1 55 55 ASP CB C 55 39.839 39.839 40.798 -0.959 18250 5117 1 6 . 1 1 55 55 ASP H H 55 8.224 8.224 7.519 0.705 18250 5118 1 6 . 1 1 56 56 GLU N N 56 120.753 120.753 120.659 0.094 18250 5119 1 6 . 1 1 56 56 GLU HA H 56 4.180 4.180 4.129 0.051 18250 5120 1 6 . 1 1 56 56 GLU C C 56 178.472 178.472 178.737 -0.265 18250 5121 1 6 . 1 1 56 56 GLU CA C 56 59.600 59.600 58.793 0.807 18250 5122 1 6 . 1 1 56 56 GLU CB C 56 29.782 29.782 29.560 0.222 18250 5123 1 6 . 1 1 56 56 GLU H H 56 8.282 8.282 7.422 0.860 18250 5124 1 6 . 1 1 57 57 PHE N N 57 121.604 121.604 120.030 1.574 18250 5125 1 6 . 1 1 57 57 PHE HA H 57 4.341 4.341 4.206 0.135 18250 5126 1 6 . 1 1 57 57 PHE C C 57 177.008 177.008 177.331 -0.323 18250 5127 1 6 . 1 1 57 57 PHE CA C 57 61.915 61.915 61.199 0.716 18250 5128 1 6 . 1 1 57 57 PHE CB C 57 40.025 40.025 39.219 0.806 18250 5129 1 6 . 1 1 57 57 PHE H H 57 8.671 8.671 8.821 -0.150 18250 5130 1 6 . 1 1 58 58 GLU N N 58 116.765 116.765 119.897 -3.132 18250 5131 1 6 . 1 1 58 58 GLU HA H 58 3.667 3.667 3.873 -0.206 18250 5132 1 6 . 1 1 58 58 GLU C C 58 177.661 177.661 177.588 0.073 18250 5133 1 6 . 1 1 58 58 GLU CA C 58 58.795 58.795 59.033 -0.238 18250 5134 1 6 . 1 1 58 58 GLU CB C 58 29.783 29.783 29.140 0.643 18250 5135 1 6 . 1 1 58 58 GLU H H 58 8.136 8.136 7.813 0.323 18250 5136 1 6 . 1 1 59 59 LEU N N 59 117.344 117.344 116.988 0.356 18250 5137 1 6 . 1 1 59 59 LEU HA H 59 4.201 4.201 4.270 -0.069 18250 5138 1 6 . 1 1 59 59 LEU C C 59 178.953 178.953 178.376 0.577 18250 5139 1 6 . 1 1 59 59 LEU CA C 59 56.973 56.973 55.892 1.081 18250 5140 1 6 . 1 1 59 59 LEU CB C 59 42.976 42.976 42.223 0.753 18250 5141 1 6 . 1 1 59 59 LEU H H 59 7.513 7.513 7.392 0.121 18250 5142 1 6 . 1 1 60 60 ARG N N 60 117.779 117.779 119.161 -1.382 18250 5143 1 6 . 1 1 60 60 ARG HA H 60 3.957 3.957 4.079 -0.122 18250 5144 1 6 . 1 1 60 60 ARG C C 60 177.342 177.342 177.041 0.301 18250 5145 1 6 . 1 1 60 60 ARG CA C 60 57.901 57.901 57.658 0.243 18250 5146 1 6 . 1 1 60 60 ARG CB C 60 31.153 31.153 31.174 -0.021 18250 5147 1 6 . 1 1 60 60 ARG H H 60 8.072 8.072 7.530 0.542 18250 5148 1 6 . 1 1 61 61 TYR N N 61 119.056 119.056 116.414 2.642 18250 5149 1 6 . 1 1 61 61 TYR HA H 61 4.744 4.744 4.719 0.025 18250 5150 1 6 . 1 1 61 61 TYR C C 61 175.214 175.214 175.373 -0.159 18250 5151 1 6 . 1 1 61 61 TYR CA C 61 56.294 56.294 55.967 0.327 18250 5152 1 6 . 1 1 61 61 TYR CB C 61 37.024 37.024 37.931 -0.907 18250 5153 1 6 . 1 1 61 61 TYR H H 61 8.050 8.050 7.992 0.058 18250 5154 1 6 . 1 1 62 62 ARG N N 62 119.956 119.956 123.370 -3.414 18250 5155 1 6 . 1 1 62 62 ARG HA H 62 4.058 4.058 3.902 0.156 18250 5156 1 6 . 1 1 62 62 ARG C C 62 178.183 178.183 177.660 0.523 18250 5157 1 6 . 1 1 62 62 ARG CA C 62 59.025 59.025 59.966 -0.941 18250 5158 1 6 . 1 1 62 62 ARG CB C 62 30.139 30.139 30.258 -0.119 18250 5159 1 6 . 1 1 62 62 ARG H H 62 7.419 7.419 8.351 -0.932 18250 5160 1 6 . 1 1 63 63 ARG HA H 63 4.222 4.222 4.245 -0.023 18250 5161 1 6 . 1 1 63 63 ARG C C 63 177.387 177.387 177.717 -0.330 18250 5162 1 6 . 1 1 63 63 ARG CA C 63 57.730 57.730 58.520 -0.790 18250 5163 1 6 . 1 1 63 63 ARG CB C 63 29.179 29.179 29.250 -0.071 18250 5164 1 6 . 1 1 64 64 ALA N N 64 122.003 122.003 122.210 -0.207 18250 5165 1 6 . 1 1 64 64 ALA HA H 64 4.100 4.100 4.201 -0.101 18250 5166 1 6 . 1 1 64 64 ALA C C 64 179.975 179.975 179.484 0.491 18250 5167 1 6 . 1 1 64 64 ALA CA C 64 54.579 54.579 54.572 0.007 18250 5168 1 6 . 1 1 64 64 ALA CB C 64 18.636 18.636 18.269 0.367 18250 5169 1 6 . 1 1 64 64 ALA H H 64 7.868 7.868 8.005 -0.137 18250 5170 1 6 . 1 1 65 65 PHE N N 65 115.858 115.858 119.621 -3.763 18250 5171 1 6 . 1 1 65 65 PHE HA H 65 4.800 4.800 4.586 0.214 18250 5172 1 6 . 1 1 65 65 PHE C C 65 177.376 177.376 177.798 -0.422 18250 5173 1 6 . 1 1 65 65 PHE CA C 65 58.222 58.222 61.191 -2.969 18250 5174 1 6 . 1 1 65 65 PHE CB C 65 38.877 38.877 39.337 -0.459 18250 5175 1 6 . 1 1 65 65 PHE H H 65 8.579 8.579 8.655 -0.076 18250 5176 1 6 . 1 1 66 66 SER N N 66 116.942 116.942 115.120 1.822 18250 5177 1 6 . 1 1 66 66 SER HA H 66 4.223 4.223 4.001 0.222 18250 5178 1 6 . 1 1 66 66 SER C C 66 176.472 176.472 176.396 0.076 18250 5179 1 6 . 1 1 66 66 SER CA C 66 61.764 61.764 61.654 0.110 18250 5180 1 6 . 1 1 66 66 SER CB C 66 63.012 63.012 62.854 0.158 18250 5181 1 6 . 1 1 66 66 SER H H 66 8.232 8.232 7.967 0.265 18250 5182 1 6 . 1 1 67 67 ASP N N 67 121.623 121.623 123.080 -1.457 18250 5183 1 6 . 1 1 67 67 ASP HA H 67 4.487 4.487 4.435 0.052 18250 5184 1 6 . 1 1 67 67 ASP C C 67 178.404 178.404 178.254 0.150 18250 5185 1 6 . 1 1 67 67 ASP CA C 67 56.827 56.827 56.989 -0.162 18250 5186 1 6 . 1 1 67 67 ASP CB C 67 40.176 40.176 41.013 -0.837 18250 5187 1 6 . 1 1 67 67 ASP H H 67 8.476 8.476 7.542 0.934 18250 5188 1 6 . 1 1 68 68 LEU N N 68 121.200 121.200 119.071 2.129 18250 5189 1 6 . 1 1 68 68 LEU HA H 68 4.104 4.104 3.919 0.185 18250 5190 1 6 . 1 1 68 68 LEU C C 68 179.046 179.046 178.934 0.112 18250 5191 1 6 . 1 1 68 68 LEU CA C 68 57.972 57.972 57.389 0.584 18250 5192 1 6 . 1 1 68 68 LEU CB C 68 42.555 42.555 41.678 0.877 18250 5193 1 6 . 1 1 68 68 LEU H H 68 7.889 7.889 8.555 -0.666 18250 5194 1 6 . 1 1 69 69 THR N N 69 110.282 110.282 110.535 -0.253 18250 5195 1 6 . 1 1 69 69 THR HA H 69 4.086 4.086 3.743 0.343 18250 5196 1 6 . 1 1 69 69 THR C C 69 177.457 177.457 175.932 1.525 18250 5197 1 6 . 1 1 69 69 THR CA C 69 65.839 65.839 65.572 0.267 18250 5198 1 6 . 1 1 69 69 THR CB C 69 68.442 68.442 68.033 0.409 18250 5199 1 6 . 1 1 69 69 THR H H 69 8.493 8.493 7.923 0.570 18250 5200 1 6 . 1 1 70 70 SER N N 70 116.582 116.582 117.131 -0.549 18250 5201 1 6 . 1 1 70 70 SER HA H 70 4.330 4.330 4.151 0.179 18250 5202 1 6 . 1 1 70 70 SER C C 70 175.607 175.607 176.239 -0.632 18250 5203 1 6 . 1 1 70 70 SER CA C 70 60.676 60.676 61.958 -1.282 18250 5204 1 6 . 1 1 70 70 SER CB C 70 63.301 63.301 62.968 0.333 18250 5205 1 6 . 1 1 70 70 SER H H 70 7.754 7.754 7.319 0.435 18250 5206 1 6 . 1 1 71 71 GLN N N 71 119.129 119.129 121.534 -2.405 18250 5207 1 6 . 1 1 71 71 GLN HA H 71 4.108 4.108 4.180 -0.072 18250 5208 1 6 . 1 1 71 71 GLN C C 71 176.338 176.338 177.300 -0.962 18250 5209 1 6 . 1 1 71 71 GLN CA C 71 57.407 57.407 58.277 -0.870 18250 5210 1 6 . 1 1 71 71 GLN CB C 71 29.533 29.533 28.872 0.661 18250 5211 1 6 . 1 1 71 71 GLN H H 71 7.754 7.754 7.499 0.255 18250 5212 1 6 . 1 1 72 72 LEU N N 72 118.804 118.804 119.553 -0.749 18250 5213 1 6 . 1 1 72 72 LEU HA H 72 4.312 4.312 4.241 0.071 18250 5214 1 6 . 1 1 72 72 LEU C C 72 174.285 174.285 175.929 -1.644 18250 5215 1 6 . 1 1 72 72 LEU CA C 72 55.437 55.437 53.687 1.750 18250 5216 1 6 . 1 1 72 72 LEU CB C 72 43.888 43.888 41.445 2.443 18250 5217 1 6 . 1 1 72 72 LEU H H 72 7.577 7.577 7.403 0.174 18250 5218 1 6 . 1 1 73 73 HIS HA H 73 4.644 4.644 4.465 0.179 18250 5219 1 6 . 1 1 73 73 HIS C C 73 174.452 174.452 175.010 -0.558 18250 5220 1 6 . 1 1 73 73 HIS CA C 73 54.964 54.964 55.126 -0.162 18250 5221 1 6 . 1 1 73 73 HIS CB C 73 28.747 28.747 29.604 -0.857 18250 5222 1 6 . 1 1 74 74 ILE N N 74 122.470 122.470 127.211 -4.741 18250 5223 1 6 . 1 1 74 74 ILE HA H 74 4.207 4.207 4.346 -0.139 18250 5224 1 6 . 1 1 74 74 ILE CA C 74 61.962 61.962 60.441 1.521 18250 5225 1 6 . 1 1 74 74 ILE CB C 74 38.952 38.952 37.914 1.038 18250 5226 1 6 . 1 1 74 74 ILE H H 74 8.767 8.767 8.998 -0.231 18250 5227 1 6 . 1 1 75 75 THR N N 75 120.535 120.535 125.995 -5.460 18250 5228 1 6 . 1 1 75 75 THR HA H 75 4.325 4.325 5.009 -0.684 18250 5229 1 6 . 1 1 75 75 THR H H 75 7.953 7.953 7.854 0.099 18250 5230 1 6 . 1 1 77 77 GLY CA C 77 44.791 44.791 44.963 -0.172 18250 5231 1 6 . 1 1 78 78 THR N N 78 130.040 130.040 121.115 8.925 18250 5232 1 6 . 1 1 78 78 THR HA H 78 4.147 4.147 4.153 -0.006 18250 5233 1 6 . 1 1 78 78 THR H H 78 8.795 8.795 8.264 0.531 18250 5234 1 6 . 1 1 79 79 ALA HA H 79 4.827 4.827 4.121 0.706 18250 5235 1 6 . 1 1 79 79 ALA C C 79 177.644 177.644 177.635 0.009 18250 5236 1 6 . 1 1 79 79 ALA CA C 79 51.117 51.117 50.955 0.163 18250 5237 1 6 . 1 1 79 79 ALA CB C 79 21.518 21.518 20.099 1.419 18250 5238 1 6 . 1 1 80 80 TYR N N 80 121.374 121.374 119.991 1.383 18250 5239 1 6 . 1 1 80 80 TYR HA H 80 4.648 4.648 3.522 1.126 18250 5240 1 6 . 1 1 80 80 TYR C C 80 176.560 176.560 177.141 -0.581 18250 5241 1 6 . 1 1 80 80 TYR CA C 80 60.846 60.846 61.291 -0.445 18250 5242 1 6 . 1 1 80 80 TYR CB C 80 38.165 38.165 37.870 0.295 18250 5243 1 6 . 1 1 80 80 TYR H H 80 8.858 8.858 8.406 0.452 18250 5244 1 6 . 1 1 81 81 GLN N N 81 115.124 115.124 118.719 -3.595 18250 5245 1 6 . 1 1 81 81 GLN HA H 81 3.802 3.802 3.932 -0.130 18250 5246 1 6 . 1 1 81 81 GLN C C 81 178.330 178.330 178.243 0.087 18250 5247 1 6 . 1 1 81 81 GLN CA C 81 59.911 59.911 59.085 0.826 18250 5248 1 6 . 1 1 81 81 GLN CB C 81 28.016 28.016 27.635 0.381 18250 5249 1 6 . 1 1 81 81 GLN H H 81 8.532 8.532 8.600 -0.068 18250 5250 1 6 . 1 1 82 82 SER N N 82 114.423 114.423 115.708 -1.285 18250 5251 1 6 . 1 1 82 82 SER HA H 82 4.253 4.253 4.155 0.098 18250 5252 1 6 . 1 1 82 82 SER CA C 82 62.089 62.089 60.978 1.111 18250 5253 1 6 . 1 1 82 82 SER CB C 82 63.338 63.338 62.880 0.458 18250 5254 1 6 . 1 1 82 82 SER H H 82 7.356 7.356 7.506 -0.150 18250 5255 1 6 . 1 1 83 83 PHE HA H 83 3.937 3.937 3.929 0.008 18250 5256 1 6 . 1 1 83 83 PHE C C 83 175.136 175.136 176.635 -1.499 18250 5257 1 6 . 1 1 83 83 PHE CA C 83 61.335 61.335 61.363 -0.028 18250 5258 1 6 . 1 1 83 83 PHE CB C 83 39.433 39.433 39.087 0.346 18250 5259 1 6 . 1 1 84 84 GLU N N 84 119.917 119.917 118.574 1.343 18250 5260 1 6 . 1 1 84 84 GLU HA H 84 3.331 3.331 3.446 -0.115 18250 5261 1 6 . 1 1 84 84 GLU C C 84 177.012 177.012 178.402 -1.390 18250 5262 1 6 . 1 1 84 84 GLU CA C 84 59.146 59.146 59.629 -0.483 18250 5263 1 6 . 1 1 84 84 GLU CB C 84 30.460 30.460 28.845 1.615 18250 5264 1 6 . 1 1 84 84 GLU H H 84 8.659 8.659 8.310 0.349 18250 5265 1 6 . 1 1 85 85 GLN N N 85 115.027 115.027 117.581 -2.554 18250 5266 1 6 . 1 1 85 85 GLN HA H 85 3.888 3.888 3.921 -0.033 18250 5267 1 6 . 1 1 85 85 GLN C C 85 178.571 178.571 178.445 0.126 18250 5268 1 6 . 1 1 85 85 GLN CA C 85 59.103 59.103 58.465 0.638 18250 5269 1 6 . 1 1 85 85 GLN CB C 85 28.586 28.586 28.693 -0.107 18250 5270 1 6 . 1 1 85 85 GLN H H 85 7.592 7.592 7.420 0.172 18250 5271 1 6 . 1 1 86 86 VAL N N 86 118.481 118.481 118.241 0.240 18250 5272 1 6 . 1 1 86 86 VAL HA H 86 3.644 3.644 3.893 -0.249 18250 5273 1 6 . 1 1 86 86 VAL C C 86 177.898 177.898 178.464 -0.566 18250 5274 1 6 . 1 1 86 86 VAL CA C 86 66.100 66.100 64.814 1.286 18250 5275 1 6 . 1 1 86 86 VAL CB C 86 31.799 31.799 32.037 -0.238 18250 5276 1 6 . 1 1 86 86 VAL H H 86 7.164 7.164 7.163 0.001 18250 5277 1 6 . 1 1 87 87 VAL N N 87 119.825 119.825 118.072 1.753 18250 5278 1 6 . 1 1 87 87 VAL HA H 87 3.028 3.028 3.542 -0.514 18250 5279 1 6 . 1 1 87 87 VAL C C 87 177.853 177.853 177.276 0.577 18250 5280 1 6 . 1 1 87 87 VAL CA C 87 66.394 66.394 64.933 1.461 18250 5281 1 6 . 1 1 87 87 VAL CB C 87 31.044 31.044 30.055 0.989 18250 5282 1 6 . 1 1 87 87 VAL H H 87 7.980 7.980 7.884 0.096 18250 5283 1 6 . 1 1 88 88 ASN N N 88 117.625 117.625 119.674 -2.049 18250 5284 1 6 . 1 1 88 88 ASN HA H 88 4.283 4.283 4.554 -0.271 18250 5285 1 6 . 1 1 88 88 ASN C C 88 178.987 178.987 176.748 2.239 18250 5286 1 6 . 1 1 88 88 ASN CA C 88 55.449 55.449 55.609 -0.160 18250 5287 1 6 . 1 1 88 88 ASN CB C 88 37.329 37.329 38.381 -1.052 18250 5288 1 6 . 1 1 88 88 ASN H H 88 8.437 8.437 8.574 -0.137 18250 5289 1 6 . 1 1 89 89 GLU N N 89 118.940 118.940 118.327 0.613 18250 5290 1 6 . 1 1 89 89 GLU HA H 89 4.001 4.001 4.134 -0.133 18250 5291 1 6 . 1 1 89 89 GLU C C 89 179.305 179.305 177.594 1.711 18250 5292 1 6 . 1 1 89 89 GLU CA C 89 59.016 59.016 57.805 1.211 18250 5293 1 6 . 1 1 89 89 GLU CB C 89 29.120 29.120 29.479 -0.359 18250 5294 1 6 . 1 1 89 89 GLU H H 89 7.377 7.377 7.675 -0.298 18250 5295 1 6 . 1 1 90 90 LEU N N 90 120.797 120.797 118.749 2.048 18250 5296 1 6 . 1 1 90 90 LEU HA H 90 3.821 3.821 4.096 -0.275 18250 5297 1 6 . 1 1 90 90 LEU C C 90 178.249 178.249 178.230 0.019 18250 5298 1 6 . 1 1 90 90 LEU CA C 90 57.491 57.491 56.992 0.499 18250 5299 1 6 . 1 1 90 90 LEU CB C 90 41.502 41.502 42.267 -0.765 18250 5300 1 6 . 1 1 90 90 LEU H H 90 7.608 7.608 7.400 0.208 18250 5301 1 6 . 1 1 91 91 PHE N N 91 113.366 113.366 119.225 -5.859 18250 5302 1 6 . 1 1 91 91 PHE HA H 91 4.532 4.532 4.029 0.503 18250 5303 1 6 . 1 1 91 91 PHE C C 91 176.475 176.475 177.850 -1.375 18250 5304 1 6 . 1 1 91 91 PHE CA C 91 57.504 57.504 61.290 -3.786 18250 5305 1 6 . 1 1 91 91 PHE CB C 91 39.470 39.470 39.276 0.195 18250 5306 1 6 . 1 1 91 91 PHE H H 91 7.024 7.024 7.650 -0.626 18250 5307 1 6 . 1 1 92 92 ARG N N 92 123.994 123.994 118.754 5.240 18250 5308 1 6 . 1 1 92 92 ARG HA H 92 3.965 3.965 4.192 -0.227 18250 5309 1 6 . 1 1 92 92 ARG C C 92 177.152 177.152 175.890 1.262 18250 5310 1 6 . 1 1 92 92 ARG CA C 92 59.743 59.743 58.282 1.461 18250 5311 1 6 . 1 1 92 92 ARG CB C 92 30.171 30.171 30.019 0.152 18250 5312 1 6 . 1 1 92 92 ARG H H 92 7.237 7.237 8.097 -0.860 18250 5313 1 6 . 1 1 93 93 ASP N N 93 116.866 116.866 117.772 -0.906 18250 5314 1 6 . 1 1 93 93 ASP HA H 93 4.823 4.823 4.630 0.193 18250 5315 1 6 . 1 1 93 93 ASP C C 93 175.589 175.589 175.723 -0.134 18250 5316 1 6 . 1 1 93 93 ASP CA C 93 54.068 54.068 53.208 0.860 18250 5317 1 6 . 1 1 93 93 ASP CB C 93 40.755 40.755 40.339 0.416 18250 5318 1 6 . 1 1 93 93 ASP H H 93 8.711 8.711 7.391 1.320 18250 5319 1 6 . 1 1 94 94 GLY N N 94 108.978 108.978 108.152 0.826 18250 5320 1 6 . 1 1 94 94 GLY C C 94 172.635 172.635 174.715 -2.080 18250 5321 1 6 . 1 1 94 94 GLY CA C 94 43.818 43.818 44.827 -1.009 18250 5322 1 6 . 1 1 94 94 GLY H H 94 7.582 7.582 7.359 0.223 18250 5323 1 6 . 1 1 95 95 VAL N N 95 120.777 120.777 119.778 0.999 18250 5324 1 6 . 1 1 95 95 VAL HA H 95 3.545 3.545 3.346 0.199 18250 5325 1 6 . 1 1 95 95 VAL C C 95 174.452 174.452 173.473 0.979 18250 5326 1 6 . 1 1 95 95 VAL CA C 95 62.875 62.875 63.471 -0.596 18250 5327 1 6 . 1 1 95 95 VAL CB C 95 32.148 32.148 30.611 1.537 18250 5328 1 6 . 1 1 95 95 VAL H H 95 8.293 8.293 7.325 0.968 18250 5329 1 6 . 1 1 96 96 ASN N N 96 116.198 116.198 124.812 -8.614 18250 5330 1 6 . 1 1 96 96 ASN HA H 96 4.070 4.070 4.524 -0.454 18250 5331 1 6 . 1 1 96 96 ASN C C 96 175.243 175.243 176.073 -0.830 18250 5332 1 6 . 1 1 96 96 ASN CA C 96 51.784 51.784 51.342 0.442 18250 5333 1 6 . 1 1 96 96 ASN CB C 96 39.849 39.849 40.585 -0.736 18250 5334 1 6 . 1 1 96 96 ASN H H 96 6.401 6.401 7.770 -1.369 18250 5335 1 6 . 1 1 97 97 TRP N N 97 118.776 118.776 121.721 -2.945 18250 5336 1 6 . 1 1 97 97 TRP HA H 97 4.588 4.588 4.424 0.164 18250 5337 1 6 . 1 1 97 97 TRP C C 97 178.207 178.207 177.999 0.208 18250 5338 1 6 . 1 1 97 97 TRP CA C 97 61.083 61.083 60.081 1.002 18250 5339 1 6 . 1 1 97 97 TRP CB C 97 30.676 30.676 29.397 1.279 18250 5340 1 6 . 1 1 97 97 TRP H H 97 8.530 8.530 8.869 -0.339 18250 5341 1 6 . 1 1 98 98 GLY N N 98 106.573 106.573 107.001 -0.428 18250 5342 1 6 . 1 1 98 98 GLY C C 98 177.485 177.485 176.056 1.429 18250 5343 1 6 . 1 1 98 98 GLY CA C 98 47.505 47.505 46.701 0.804 18250 5344 1 6 . 1 1 98 98 GLY H H 98 8.634 8.634 8.710 -0.076 18250 5345 1 6 . 1 1 99 99 ARG N N 99 121.627 121.627 122.040 -0.413 18250 5346 1 6 . 1 1 99 99 ARG HA H 99 3.999 3.999 4.082 -0.083 18250 5347 1 6 . 1 1 99 99 ARG C C 99 177.693 177.693 178.583 -0.890 18250 5348 1 6 . 1 1 99 99 ARG CA C 99 58.487 58.487 58.273 0.214 18250 5349 1 6 . 1 1 99 99 ARG CB C 99 31.363 31.363 29.592 1.771 18250 5350 1 6 . 1 1 99 99 ARG H H 99 8.214 8.214 7.814 0.400 18250 5351 1 6 . 1 1 100 100 ILE N N 100 121.379 121.379 119.920 1.459 18250 5352 1 6 . 1 1 100 100 ILE HA H 100 3.986 3.986 3.843 0.143 18250 5353 1 6 . 1 1 100 100 ILE C C 100 178.143 178.143 177.577 0.566 18250 5354 1 6 . 1 1 100 100 ILE CA C 100 67.148 67.148 64.955 2.193 18250 5355 1 6 . 1 1 100 100 ILE CB C 100 37.099 37.099 37.562 -0.463 18250 5356 1 6 . 1 1 100 100 ILE H H 100 7.810 7.810 7.122 0.688 18250 5357 1 6 . 1 1 101 101 VAL N N 101 121.444 121.444 119.951 1.493 18250 5358 1 6 . 1 1 101 101 VAL HA H 101 3.458 3.458 3.309 0.149 18250 5359 1 6 . 1 1 101 101 VAL C C 101 177.752 177.752 177.348 0.404 18250 5360 1 6 . 1 1 101 101 VAL CA C 101 68.165 68.165 66.916 1.249 18250 5361 1 6 . 1 1 101 101 VAL CB C 101 31.423 31.423 30.762 0.661 18250 5362 1 6 . 1 1 101 101 VAL H H 101 8.378 8.378 7.411 0.967 18250 5363 1 6 . 1 1 102 102 ALA N N 102 121.864 121.864 122.024 -0.160 18250 5364 1 6 . 1 1 102 102 ALA HA H 102 3.174 3.174 2.739 0.435 18250 5365 1 6 . 1 1 102 102 ALA C C 102 178.223 178.223 178.589 -0.366 18250 5366 1 6 . 1 1 102 102 ALA CA C 102 55.256 55.256 54.342 0.914 18250 5367 1 6 . 1 1 102 102 ALA CB C 102 18.631 18.631 17.586 1.045 18250 5368 1 6 . 1 1 102 102 ALA H H 102 7.693 7.693 7.881 -0.188 18250 5369 1 6 . 1 1 103 103 PHE N N 103 119.560 119.560 119.278 0.282 18250 5370 1 6 . 1 1 103 103 PHE HA H 103 3.986 3.986 3.965 0.021 18250 5371 1 6 . 1 1 103 103 PHE C C 103 176.264 176.264 177.280 -1.016 18250 5372 1 6 . 1 1 103 103 PHE CA C 103 60.811 60.811 60.979 -0.168 18250 5373 1 6 . 1 1 103 103 PHE CB C 103 38.585 38.585 39.099 -0.514 18250 5374 1 6 . 1 1 103 103 PHE H H 103 8.096 8.096 8.073 0.023 18250 5375 1 6 . 1 1 104 104 PHE N N 104 120.694 120.694 117.595 3.099 18250 5376 1 6 . 1 1 104 104 PHE HA H 104 3.347 3.347 3.875 -0.528 18250 5377 1 6 . 1 1 104 104 PHE C C 104 177.604 177.604 177.765 -0.161 18250 5378 1 6 . 1 1 104 104 PHE CA C 104 62.995 62.995 59.223 3.772 18250 5379 1 6 . 1 1 104 104 PHE CB C 104 36.626 36.626 37.889 -1.263 18250 5380 1 6 . 1 1 104 104 PHE H H 104 8.087 8.087 8.414 -0.327 18250 5381 1 6 . 1 1 105 105 SER N N 105 114.775 114.775 115.521 -0.746 18250 5382 1 6 . 1 1 105 105 SER HA H 105 4.444 4.444 4.349 0.095 18250 5383 1 6 . 1 1 105 105 SER C C 105 177.605 177.605 177.032 0.573 18250 5384 1 6 . 1 1 105 105 SER CA C 105 63.767 63.767 61.886 1.881 18250 5385 1 6 . 1 1 105 105 SER CB C 105 63.409 63.409 62.958 0.451 18250 5386 1 6 . 1 1 105 105 SER H H 105 8.514 8.514 8.052 0.462 18250 5387 1 6 . 1 1 106 106 PHE N N 106 124.632 124.632 120.966 3.666 18250 5388 1 6 . 1 1 106 106 PHE HA H 106 4.071 4.071 4.542 -0.471 18250 5389 1 6 . 1 1 106 106 PHE C C 106 176.639 176.639 178.365 -1.726 18250 5390 1 6 . 1 1 106 106 PHE CA C 106 60.185 60.185 59.178 1.007 18250 5391 1 6 . 1 1 106 106 PHE CB C 106 38.639 38.639 37.858 0.781 18250 5392 1 6 . 1 1 106 106 PHE H H 106 9.146 9.146 8.202 0.944 18250 5393 1 6 . 1 1 107 107 GLY N N 107 106.495 106.495 106.830 -0.335 18250 5394 1 6 . 1 1 107 107 GLY C C 107 176.647 176.647 176.679 -0.032 18250 5395 1 6 . 1 1 107 107 GLY CA C 107 47.998 47.998 47.160 0.838 18250 5396 1 6 . 1 1 107 107 GLY H H 107 8.063 8.063 7.953 0.110 18250 5397 1 6 . 1 1 108 108 GLY N N 108 107.786 107.786 110.061 -2.275 18250 5398 1 6 . 1 1 108 108 GLY C C 108 174.589 174.589 175.668 -1.079 18250 5399 1 6 . 1 1 108 108 GLY CA C 108 47.931 47.931 46.882 1.049 18250 5400 1 6 . 1 1 108 108 GLY H H 108 8.900 8.900 8.056 0.844 18250 5401 1 6 . 1 1 109 109 ALA N N 109 124.959 124.959 124.916 0.043 18250 5402 1 6 . 1 1 109 109 ALA HA H 109 4.216 4.216 4.353 -0.137 18250 5403 1 6 . 1 1 109 109 ALA C C 109 181.113 181.113 179.762 1.351 18250 5404 1 6 . 1 1 109 109 ALA CA C 109 55.098 55.098 54.893 0.205 18250 5405 1 6 . 1 1 109 109 ALA CB C 109 18.418 18.418 18.447 -0.029 18250 5406 1 6 . 1 1 109 109 ALA H H 109 8.343 8.343 7.850 0.493 18250 5407 1 6 . 1 1 110 110 LEU N N 110 119.336 119.336 119.437 -0.101 18250 5408 1 6 . 1 1 110 110 LEU HA H 110 4.017 4.017 3.988 0.029 18250 5409 1 6 . 1 1 110 110 LEU C C 110 180.100 180.100 179.400 0.700 18250 5410 1 6 . 1 1 110 110 LEU CA C 110 57.400 57.400 58.271 -0.871 18250 5411 1 6 . 1 1 110 110 LEU CB C 110 42.562 42.562 41.724 0.838 18250 5412 1 6 . 1 1 110 110 LEU H H 110 8.296 8.296 8.556 -0.260 18250 5413 1 6 . 1 1 111 111 CYS N N 111 119.466 119.466 117.535 1.931 18250 5414 1 6 . 1 1 111 111 CYS HA H 111 3.818 3.818 4.061 -0.243 18250 5415 1 6 . 1 1 111 111 CYS C C 111 175.954 175.954 176.878 -0.924 18250 5416 1 6 . 1 1 111 111 CYS CA C 111 64.665 64.665 64.892 -0.227 18250 5417 1 6 . 1 1 111 111 CYS CB C 111 26.724 26.724 26.672 0.052 18250 5418 1 6 . 1 1 111 111 CYS H H 111 8.207 8.207 8.567 -0.360 18250 5419 1 6 . 1 1 112 112 VAL N N 112 119.086 119.086 120.719 -1.633 18250 5420 1 6 . 1 1 112 112 VAL HA H 112 3.379 3.379 3.659 -0.280 18250 5421 1 6 . 1 1 112 112 VAL C C 112 177.356 177.356 177.784 -0.428 18250 5422 1 6 . 1 1 112 112 VAL CA C 112 67.316 67.316 67.365 -0.049 18250 5423 1 6 . 1 1 112 112 VAL CB C 112 31.944 31.944 31.814 0.130 18250 5424 1 6 . 1 1 112 112 VAL H H 112 8.110 8.110 7.781 0.329 18250 5425 1 6 . 1 1 113 113 GLU N N 113 119.448 119.448 119.338 0.110 18250 5426 1 6 . 1 1 113 113 GLU HA H 113 4.094 4.094 4.011 0.083 18250 5427 1 6 . 1 1 113 113 GLU C C 113 178.264 178.264 179.248 -0.984 18250 5428 1 6 . 1 1 113 113 GLU CA C 113 59.336 59.336 59.642 -0.306 18250 5429 1 6 . 1 1 113 113 GLU CB C 113 29.326 29.326 28.864 0.462 18250 5430 1 6 . 1 1 113 113 GLU H H 113 8.190 8.190 8.551 -0.361 18250 5431 1 6 . 1 1 114 114 SER N N 114 113.847 113.847 117.102 -3.255 18250 5432 1 6 . 1 1 114 114 SER HA H 114 3.886 3.886 4.208 -0.322 18250 5433 1 6 . 1 1 114 114 SER C C 114 175.485 175.485 176.271 -0.786 18250 5434 1 6 . 1 1 114 114 SER CA C 114 63.249 63.249 62.587 0.662 18250 5435 1 6 . 1 1 114 114 SER CB C 114 62.229 62.229 63.089 -0.860 18250 5436 1 6 . 1 1 114 114 SER H H 114 7.757 7.757 8.231 -0.474 18250 5437 1 6 . 1 1 115 115 VAL N N 115 121.093 121.093 121.571 -0.478 18250 5438 1 6 . 1 1 115 115 VAL HA H 115 3.201 3.201 3.484 -0.283 18250 5439 1 6 . 1 1 115 115 VAL C C 115 179.471 179.471 178.341 1.130 18250 5440 1 6 . 1 1 115 115 VAL CA C 115 66.746 66.746 65.543 1.202 18250 5441 1 6 . 1 1 115 115 VAL CB C 115 31.412 31.412 30.748 0.664 18250 5442 1 6 . 1 1 115 115 VAL H H 115 7.423 7.423 7.796 -0.373 18250 5443 1 6 . 1 1 116 116 ASP N N 116 123.023 123.023 121.906 1.117 18250 5444 1 6 . 1 1 116 116 ASP HA H 116 4.398 4.398 4.442 -0.044 18250 5445 1 6 . 1 1 116 116 ASP C C 116 178.029 178.029 177.609 0.420 18250 5446 1 6 . 1 1 116 116 ASP CA C 116 57.471 57.471 56.769 0.702 18250 5447 1 6 . 1 1 116 116 ASP CB C 116 41.004 41.004 41.091 -0.087 18250 5448 1 6 . 1 1 116 116 ASP H H 116 8.365 8.365 8.622 -0.257 18250 5449 1 6 . 1 1 117 117 LYS N N 117 116.212 116.212 117.939 -1.727 18250 5450 1 6 . 1 1 117 117 LYS HA H 117 4.384 4.384 4.397 -0.013 18250 5451 1 6 . 1 1 117 117 LYS C C 117 175.049 175.049 175.422 -0.373 18250 5452 1 6 . 1 1 117 117 LYS CA C 117 55.685 55.685 55.143 0.542 18250 5453 1 6 . 1 1 117 117 LYS CB C 117 32.317 32.317 31.778 0.539 18250 5454 1 6 . 1 1 117 117 LYS H H 117 7.698 7.698 7.532 0.166 18250 5455 1 6 . 1 1 118 118 GLU N N 118 114.271 114.271 117.017 -2.746 18250 5456 1 6 . 1 1 118 118 GLU HA H 118 3.973 3.973 3.861 0.112 18250 5457 1 6 . 1 1 118 118 GLU C C 118 176.065 176.065 175.616 0.449 18250 5458 1 6 . 1 1 118 118 GLU CA C 118 57.766 57.766 57.678 0.088 18250 5459 1 6 . 1 1 118 118 GLU CB C 118 26.540 26.540 28.302 -1.762 18250 5460 1 6 . 1 1 118 118 GLU H H 118 7.959 7.959 7.910 0.049 18250 5461 1 6 . 1 1 119 119 MET N N 119 119.260 119.260 118.772 0.488 18250 5462 1 6 . 1 1 119 119 MET HA H 119 4.822 4.822 4.622 0.200 18250 5463 1 6 . 1 1 119 119 MET C C 119 176.817 176.817 175.664 1.153 18250 5464 1 6 . 1 1 119 119 MET CA C 119 53.675 53.675 54.178 -0.503 18250 5465 1 6 . 1 1 119 119 MET CB C 119 31.867 31.867 31.239 0.628 18250 5466 1 6 . 1 1 119 119 MET H H 119 8.542 8.542 8.572 -0.030 18250 5467 1 6 . 1 1 120 120 GLN N N 120 119.766 119.766 120.300 -0.534 18250 5468 1 6 . 1 1 120 120 GLN HA H 120 3.489 3.489 3.717 -0.228 18250 5469 1 6 . 1 1 120 120 GLN C C 120 177.471 177.471 177.467 0.004 18250 5470 1 6 . 1 1 120 120 GLN CA C 120 60.166 60.166 58.541 1.625 18250 5471 1 6 . 1 1 120 120 GLN CB C 120 27.667 27.667 28.546 -0.879 18250 5472 1 6 . 1 1 120 120 GLN H H 120 8.796 8.796 7.943 0.853 18250 5473 1 6 . 1 1 121 121 VAL N N 121 117.292 117.292 114.092 3.200 18250 5474 1 6 . 1 1 121 121 VAL HA H 121 4.056 4.056 3.901 0.155 18250 5475 1 6 . 1 1 121 121 VAL C C 121 175.676 175.676 176.283 -0.607 18250 5476 1 6 . 1 1 121 121 VAL CA C 121 63.612 63.612 64.102 -0.490 18250 5477 1 6 . 1 1 121 121 VAL CB C 121 31.494 31.494 30.919 0.575 18250 5478 1 6 . 1 1 121 121 VAL H H 121 7.959 7.959 7.951 0.008 18250 5479 1 6 . 1 1 122 122 LEU N N 122 117.436 117.436 120.623 -3.187 18250 5480 1 6 . 1 1 122 122 LEU HA H 122 3.872 3.872 4.128 -0.256 18250 5481 1 6 . 1 1 122 122 LEU C C 122 177.962 177.962 178.651 -0.689 18250 5482 1 6 . 1 1 122 122 LEU CA C 122 55.528 55.528 57.329 -1.801 18250 5483 1 6 . 1 1 122 122 LEU CB C 122 41.369 41.369 41.618 -0.249 18250 5484 1 6 . 1 1 122 122 LEU H H 122 7.887 7.887 7.341 0.546 18250 5485 1 6 . 1 1 123 123 VAL N N 123 120.028 120.028 119.354 0.674 18250 5486 1 6 . 1 1 123 123 VAL HA H 123 3.379 3.379 3.596 -0.217 18250 5487 1 6 . 1 1 123 123 VAL C C 123 177.040 177.040 177.166 -0.126 18250 5488 1 6 . 1 1 123 123 VAL CA C 123 67.817 67.817 65.696 2.121 18250 5489 1 6 . 1 1 123 123 VAL CB C 123 30.889 30.889 30.886 0.003 18250 5490 1 6 . 1 1 123 123 VAL H H 123 7.444 7.444 7.341 0.103 18250 5491 1 6 . 1 1 124 124 SER N N 124 111.168 111.168 114.224 -3.056 18250 5492 1 6 . 1 1 124 124 SER HA H 124 3.979 3.979 4.164 -0.185 18250 5493 1 6 . 1 1 124 124 SER C C 124 177.070 177.070 176.687 0.383 18250 5494 1 6 . 1 1 124 124 SER CA C 124 61.254 61.254 61.695 -0.441 18250 5495 1 6 . 1 1 124 124 SER CB C 124 62.403 62.403 62.749 -0.346 18250 5496 1 6 . 1 1 124 124 SER H H 124 8.394 8.394 7.689 0.705 18250 5497 1 6 . 1 1 125 125 ARG N N 125 123.526 123.526 121.120 2.406 18250 5498 1 6 . 1 1 125 125 ARG HA H 125 3.710 3.710 3.850 -0.140 18250 5499 1 6 . 1 1 125 125 ARG C C 125 175.751 175.751 177.614 -1.863 18250 5500 1 6 . 1 1 125 125 ARG CA C 125 58.738 58.738 57.647 1.091 18250 5501 1 6 . 1 1 125 125 ARG CB C 125 29.845 29.845 29.529 0.316 18250 5502 1 6 . 1 1 125 125 ARG H H 125 6.696 6.696 7.255 -0.559 18250 5503 1 6 . 1 1 126 126 ILE N N 126 118.795 118.795 121.409 -2.614 18250 5504 1 6 . 1 1 126 126 ILE HA H 126 2.855 2.855 3.241 -0.386 18250 5505 1 6 . 1 1 126 126 ILE C C 126 177.974 177.974 177.339 0.635 18250 5506 1 6 . 1 1 126 126 ILE CA C 126 64.959 64.959 65.823 -0.864 18250 5507 1 6 . 1 1 126 126 ILE CB C 126 37.666 37.666 37.534 0.132 18250 5508 1 6 . 1 1 126 126 ILE H H 126 8.124 8.124 7.867 0.257 18250 5509 1 6 . 1 1 127 127 ALA N N 127 119.674 119.674 121.091 -1.417 18250 5510 1 6 . 1 1 127 127 ALA HA H 127 3.902 3.902 3.873 0.029 18250 5511 1 6 . 1 1 127 127 ALA C C 127 179.395 179.395 179.091 0.304 18250 5512 1 6 . 1 1 127 127 ALA CA C 127 55.287 55.287 55.134 0.153 18250 5513 1 6 . 1 1 127 127 ALA CB C 127 18.520 18.520 18.005 0.516 18250 5514 1 6 . 1 1 127 127 ALA H H 127 7.711 7.711 7.576 0.135 18250 5515 1 6 . 1 1 128 128 ALA N N 128 120.850 120.850 121.669 -0.819 18250 5516 1 6 . 1 1 128 128 ALA HA H 128 4.173 4.173 4.086 0.087 18250 5517 1 6 . 1 1 128 128 ALA C C 128 181.038 181.038 179.796 1.242 18250 5518 1 6 . 1 1 128 128 ALA CA C 128 55.261 55.261 54.852 0.409 18250 5519 1 6 . 1 1 128 128 ALA CB C 128 17.822 17.822 18.143 -0.321 18250 5520 1 6 . 1 1 128 128 ALA H H 128 7.356 7.356 7.288 0.068 18250 5521 1 6 . 1 1 129 129 TRP N N 129 121.648 121.648 119.370 2.278 18250 5522 1 6 . 1 1 129 129 TRP C C 129 179.558 179.558 179.088 0.470 18250 5523 1 6 . 1 1 129 129 TRP CA C 129 57.788 57.788 58.470 -0.682 18250 5524 1 6 . 1 1 129 129 TRP CB C 129 28.918 28.918 28.074 0.844 18250 5525 1 6 . 1 1 129 129 TRP H H 129 9.087 9.087 8.283 0.804 18250 5526 1 6 . 1 1 130 130 MET N N 130 117.535 117.535 118.500 -0.965 18250 5527 1 6 . 1 1 130 130 MET HA H 130 4.345 4.345 4.647 -0.302 18250 5528 1 6 . 1 1 130 130 MET C C 130 178.170 178.170 178.728 -0.558 18250 5529 1 6 . 1 1 130 130 MET CA C 130 60.179 60.179 59.855 0.324 18250 5530 1 6 . 1 1 130 130 MET CB C 130 34.928 34.928 32.228 2.700 18250 5531 1 6 . 1 1 130 130 MET H H 130 9.031 9.031 8.670 0.361 18250 5532 1 6 . 1 1 131 131 ALA N N 131 120.973 120.973 121.660 -0.687 18250 5533 1 6 . 1 1 131 131 ALA HA H 131 4.100 4.100 4.140 -0.040 18250 5534 1 6 . 1 1 131 131 ALA C C 131 176.249 176.249 179.540 -3.291 18250 5535 1 6 . 1 1 131 131 ALA CA C 131 56.176 56.176 55.441 0.735 18250 5536 1 6 . 1 1 131 131 ALA CB C 131 17.634 17.634 18.037 -0.403 18250 5537 1 6 . 1 1 131 131 ALA H H 131 8.274 8.274 8.526 -0.252 18250 5538 1 6 . 1 1 132 132 THR N N 132 117.211 117.211 118.110 -0.899 18250 5539 1 6 . 1 1 132 132 THR HA H 132 3.959 3.959 4.030 -0.071 18250 5540 1 6 . 1 1 132 132 THR C C 132 175.035 175.035 176.275 -1.240 18250 5541 1 6 . 1 1 132 132 THR CA C 132 67.312 67.312 67.921 -0.609 18250 5542 1 6 . 1 1 132 132 THR CB C 132 69.177 69.177 68.686 0.491 18250 5543 1 6 . 1 1 132 132 THR H H 132 8.648 8.648 8.281 0.367 18250 5544 1 6 . 1 1 133 133 TYR N N 133 123.705 123.705 124.211 -0.506 18250 5545 1 6 . 1 1 133 133 TYR HA H 133 4.018 4.018 4.484 -0.466 18250 5546 1 6 . 1 1 133 133 TYR C C 133 179.551 179.551 177.841 1.710 18250 5547 1 6 . 1 1 133 133 TYR CA C 133 63.577 63.577 61.862 1.715 18250 5548 1 6 . 1 1 133 133 TYR CB C 133 39.312 39.312 38.673 0.639 18250 5549 1 6 . 1 1 133 133 TYR H H 133 8.964 8.964 8.671 0.293 18250 5550 1 6 . 1 1 134 134 LEU N N 134 119.671 119.671 120.306 -0.635 18250 5551 1 6 . 1 1 134 134 LEU HA H 134 3.832 3.832 4.019 -0.187 18250 5552 1 6 . 1 1 134 134 LEU C C 134 178.321 178.321 178.466 -0.145 18250 5553 1 6 . 1 1 134 134 LEU CA C 134 59.586 59.586 58.128 1.458 18250 5554 1 6 . 1 1 134 134 LEU CB C 134 42.898 42.898 41.978 0.920 18250 5555 1 6 . 1 1 134 134 LEU H H 134 8.853 8.853 8.843 0.010 18250 5556 1 6 . 1 1 135 135 ASN N N 135 117.661 117.661 117.380 0.281 18250 5557 1 6 . 1 1 135 135 ASN HA H 135 4.353 4.353 4.574 -0.221 18250 5558 1 6 . 1 1 135 135 ASN C C 135 176.407 176.407 177.115 -0.708 18250 5559 1 6 . 1 1 135 135 ASN CA C 135 56.883 56.883 56.109 0.774 18250 5560 1 6 . 1 1 135 135 ASN CB C 135 39.219 39.219 38.688 0.531 18250 5561 1 6 . 1 1 135 135 ASN H H 135 8.455 8.455 8.643 -0.188 18250 5562 1 6 . 1 1 136 136 ASP N N 136 115.939 115.939 117.895 -1.956 18250 5563 1 6 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.567 -0.232 18250 5564 1 6 . 1 1 136 136 ASP C C 136 177.798 177.798 177.526 0.272 18250 5565 1 6 . 1 1 136 136 ASP CA C 136 56.501 56.501 56.985 -0.484 18250 5566 1 6 . 1 1 136 136 ASP CB C 136 40.861 40.861 42.135 -1.274 18250 5567 1 6 . 1 1 136 136 ASP H H 136 8.580 8.580 8.637 -0.057 18250 5568 1 6 . 1 1 137 137 HIS N N 137 112.071 112.071 118.129 -6.058 18250 5569 1 6 . 1 1 137 137 HIS HA H 137 4.552 4.552 4.320 0.232 18250 5570 1 6 . 1 1 137 137 HIS C C 137 175.780 175.780 177.070 -1.290 18250 5571 1 6 . 1 1 137 137 HIS CA C 137 56.529 56.529 58.022 -1.493 18250 5572 1 6 . 1 1 137 137 HIS CB C 137 30.890 30.890 30.999 -0.109 18250 5573 1 6 . 1 1 137 137 HIS H H 137 8.202 8.202 7.931 0.271 18250 5574 1 6 . 1 1 138 138 LEU N N 138 117.363 117.363 120.689 -3.326 18250 5575 1 6 . 1 1 138 138 LEU HA H 138 4.550 4.550 4.327 0.223 18250 5576 1 6 . 1 1 138 138 LEU C C 138 176.369 176.369 178.141 -1.772 18250 5577 1 6 . 1 1 138 138 LEU CA C 138 55.696 55.696 56.335 -0.639 18250 5578 1 6 . 1 1 138 138 LEU CB C 138 43.465 43.465 41.996 1.469 18250 5579 1 6 . 1 1 138 138 LEU H H 138 7.306 7.306 8.164 -0.858 18250 5580 1 6 . 1 1 139 139 GLU N N 139 121.917 121.917 120.563 1.354 18250 5581 1 6 . 1 1 139 139 GLU HA H 139 4.351 4.351 3.998 0.353 18250 5582 1 6 . 1 1 139 139 GLU C C 139 173.816 173.816 175.941 -2.125 18250 5583 1 6 . 1 1 139 139 GLU CA C 139 60.529 60.529 61.569 -1.040 18250 5584 1 6 . 1 1 139 139 GLU CB C 139 27.774 27.774 27.417 0.357 18250 5585 1 6 . 1 1 139 139 GLU H H 139 8.706 8.706 8.762 -0.056 18250 5586 1 6 . 1 1 140 140 PRO HA H 140 4.234 4.234 4.214 0.020 18250 5587 1 6 . 1 1 140 140 PRO C C 140 179.159 179.159 178.693 0.466 18250 5588 1 6 . 1 1 140 140 PRO CA C 140 66.582 66.582 65.645 0.937 18250 5589 1 6 . 1 1 140 140 PRO CB C 140 30.747 30.747 31.457 -0.711 18250 5590 1 6 . 1 1 141 141 TRP N N 141 118.367 118.367 119.752 -1.385 18250 5591 1 6 . 1 1 141 141 TRP HA H 141 3.855 3.855 4.391 -0.536 18250 5592 1 6 . 1 1 141 141 TRP C C 141 179.411 179.411 177.771 1.640 18250 5593 1 6 . 1 1 141 141 TRP CA C 141 62.205 62.205 60.893 1.312 18250 5594 1 6 . 1 1 141 141 TRP CB C 141 28.928 28.928 29.950 -1.022 18250 5595 1 6 . 1 1 141 141 TRP H H 141 7.195 7.195 7.612 -0.417 18250 5596 1 6 . 1 1 142 142 ILE N N 142 122.553 122.553 120.587 1.966 18250 5597 1 6 . 1 1 142 142 ILE HA H 142 2.891 2.891 3.274 -0.383 18250 5598 1 6 . 1 1 142 142 ILE C C 142 178.924 178.924 177.904 1.020 18250 5599 1 6 . 1 1 142 142 ILE CA C 142 66.241 66.241 65.921 0.320 18250 5600 1 6 . 1 1 142 142 ILE CB C 142 38.314 38.314 37.605 0.709 18250 5601 1 6 . 1 1 142 142 ILE H H 142 8.511 8.511 8.650 -0.139 18250 5602 1 6 . 1 1 143 143 GLN N N 143 116.777 116.777 118.557 -1.780 18250 5603 1 6 . 1 1 143 143 GLN HA H 143 3.920 3.920 3.820 0.100 18250 5604 1 6 . 1 1 143 143 GLN C C 143 179.455 179.455 178.577 0.878 18250 5605 1 6 . 1 1 143 143 GLN CA C 143 58.567 58.567 59.080 -0.513 18250 5606 1 6 . 1 1 143 143 GLN CB C 143 28.068 28.068 28.407 -0.339 18250 5607 1 6 . 1 1 143 143 GLN H H 143 8.514 8.514 8.489 0.025 18250 5608 1 6 . 1 1 144 144 GLU N N 144 119.467 119.467 119.489 -0.022 18250 5609 1 6 . 1 1 144 144 GLU HA H 144 4.084 4.084 4.021 0.063 18250 5610 1 6 . 1 1 144 144 GLU C C 144 176.785 176.785 178.117 -1.332 18250 5611 1 6 . 1 1 144 144 GLU CA C 144 57.902 57.902 58.458 -0.556 18250 5612 1 6 . 1 1 144 144 GLU CB C 144 29.915 29.915 29.371 0.544 18250 5613 1 6 . 1 1 144 144 GLU H H 144 7.646 7.646 7.650 -0.004 18250 5614 1 6 . 1 1 145 145 ASN N N 145 116.904 116.904 115.902 1.002 18250 5615 1 6 . 1 1 145 145 ASN HA H 145 4.454 4.454 4.581 -0.127 18250 5616 1 6 . 1 1 145 145 ASN C C 145 173.890 173.890 175.256 -1.366 18250 5617 1 6 . 1 1 145 145 ASN CA C 145 53.652 53.652 53.215 0.437 18250 5618 1 6 . 1 1 145 145 ASN CB C 145 38.204 38.204 38.748 -0.544 18250 5619 1 6 . 1 1 145 145 ASN H H 145 7.195 7.195 7.432 -0.237 18250 5620 1 6 . 1 1 146 146 GLY N N 146 105.175 105.175 106.616 -1.441 18250 5621 1 6 . 1 1 146 146 GLY C C 146 175.977 175.977 174.167 1.810 18250 5622 1 6 . 1 1 146 146 GLY CA C 146 45.723 45.723 44.818 0.905 18250 5623 1 6 . 1 1 146 146 GLY H H 146 7.438 7.438 7.787 -0.349 18250 5624 1 6 . 1 1 147 147 GLY N N 147 108.769 108.769 108.196 0.573 18250 5625 1 6 . 1 1 147 147 GLY C C 147 173.367 173.367 175.443 -2.076 18250 5626 1 6 . 1 1 147 147 GLY CA C 147 44.532 44.532 44.488 0.044 18250 5627 1 6 . 1 1 147 147 GLY H H 147 8.580 8.580 7.843 0.738 18250 5628 1 6 . 1 1 148 148 TRP N N 148 118.433 118.433 122.461 -4.028 18250 5629 1 6 . 1 1 148 148 TRP HA H 148 4.431 4.431 4.431 0.000 18250 5630 1 6 . 1 1 148 148 TRP C C 148 178.434 178.434 177.589 0.845 18250 5631 1 6 . 1 1 148 148 TRP CA C 148 60.558 60.558 60.310 0.248 18250 5632 1 6 . 1 1 148 148 TRP CB C 148 29.872 29.872 29.557 0.315 18250 5633 1 6 . 1 1 148 148 TRP H H 148 8.715 8.715 8.762 -0.047 18250 5634 1 6 . 1 1 149 149 ASP N N 149 118.214 118.214 118.104 0.110 18250 5635 1 6 . 1 1 149 149 ASP HA H 149 4.446 4.446 4.361 0.085 18250 5636 1 6 . 1 1 149 149 ASP C C 149 179.629 179.629 178.141 1.488 18250 5637 1 6 . 1 1 149 149 ASP CA C 149 57.850 57.850 57.840 0.010 18250 5638 1 6 . 1 1 149 149 ASP CB C 149 40.379 40.379 40.288 0.091 18250 5639 1 6 . 1 1 149 149 ASP H H 149 8.897 8.897 8.829 0.068 18250 5640 1 6 . 1 1 150 150 THR N N 150 117.183 117.183 116.116 1.067 18250 5641 1 6 . 1 1 150 150 THR HA H 150 4.010 4.010 3.978 0.032 18250 5642 1 6 . 1 1 150 150 THR C C 150 175.220 175.220 175.465 -0.245 18250 5643 1 6 . 1 1 150 150 THR CA C 150 66.376 66.376 65.748 0.628 18250 5644 1 6 . 1 1 150 150 THR CB C 150 68.344 68.344 68.923 -0.579 18250 5645 1 6 . 1 1 150 150 THR H H 150 7.632 7.632 7.472 0.160 18250 5646 1 6 . 1 1 151 151 PHE N N 151 122.603 122.603 121.617 0.986 18250 5647 1 6 . 1 1 151 151 PHE HA H 151 4.423 4.423 3.596 0.827 18250 5648 1 6 . 1 1 151 151 PHE C C 151 176.703 176.703 176.529 0.174 18250 5649 1 6 . 1 1 151 151 PHE CA C 151 61.847 61.847 59.966 1.881 18250 5650 1 6 . 1 1 151 151 PHE CB C 151 37.952 37.952 38.843 -0.891 18250 5651 1 6 . 1 1 151 151 PHE H H 151 6.638 6.638 6.964 -0.326 18250 5652 1 6 . 1 1 152 152 VAL N N 152 117.675 117.675 118.627 -0.952 18250 5653 1 6 . 1 1 152 152 VAL HA H 152 3.065 3.065 3.379 -0.314 18250 5654 1 6 . 1 1 152 152 VAL C C 152 178.313 178.313 177.576 0.737 18250 5655 1 6 . 1 1 152 152 VAL CA C 152 66.780 66.780 66.159 0.621 18250 5656 1 6 . 1 1 152 152 VAL CB C 152 31.889 31.889 30.891 0.998 18250 5657 1 6 . 1 1 152 152 VAL H H 152 7.840 7.840 8.682 -0.842 18250 5658 1 6 . 1 1 153 153 GLU N N 153 120.159 120.159 118.898 1.261 18250 5659 1 6 . 1 1 153 153 GLU HA H 153 3.925 3.925 3.957 -0.032 18250 5660 1 6 . 1 1 153 153 GLU C C 153 178.157 178.157 178.446 -0.289 18250 5661 1 6 . 1 1 153 153 GLU CA C 153 59.292 59.292 58.829 0.463 18250 5662 1 6 . 1 1 153 153 GLU CB C 153 29.569 29.569 29.323 0.246 18250 5663 1 6 . 1 1 153 153 GLU H H 153 7.484 7.484 7.503 -0.019 18250 5664 1 6 . 1 1 154 154 LEU N N 154 117.518 117.518 117.862 -0.344 18250 5665 1 6 . 1 1 154 154 LEU HA H 154 4.054 4.054 3.859 0.195 18250 5666 1 6 . 1 1 154 154 LEU C C 154 178.563 178.563 178.023 0.540 18250 5667 1 6 . 1 1 154 154 LEU CA C 154 56.844 56.844 56.660 0.184 18250 5668 1 6 . 1 1 154 154 LEU CB C 154 43.739 43.739 42.237 1.502 18250 5669 1 6 . 1 1 154 154 LEU H H 154 7.701 7.701 7.145 0.556 18250 5670 1 6 . 1 1 155 155 TYR N N 155 116.466 116.466 113.842 2.624 18250 5671 1 6 . 1 1 155 155 TYR HA H 155 4.227 4.227 4.553 -0.326 18250 5672 1 6 . 1 1 155 155 TYR C C 155 176.835 176.835 175.284 1.551 18250 5673 1 6 . 1 1 155 155 TYR CA C 155 59.639 59.639 57.307 2.332 18250 5674 1 6 . 1 1 155 155 TYR CB C 155 38.891 38.891 39.407 -0.516 18250 5675 1 6 . 1 1 155 155 TYR H H 155 8.210 8.210 7.157 1.053 18250 5676 1 6 . 1 1 156 156 GLY N N 156 108.677 108.677 107.893 0.784 18250 5677 1 6 . 1 1 156 156 GLY C C 156 173.893 173.893 173.579 0.314 18250 5678 1 6 . 1 1 156 156 GLY CA C 156 45.627 45.627 45.022 0.605 18250 5679 1 6 . 1 1 156 156 GLY H H 156 8.125 8.125 7.550 0.575 18250 5680 1 6 . 1 1 157 157 ASN N N 157 118.537 118.537 122.120 -3.583 18250 5681 1 6 . 1 1 157 157 ASN HA H 157 4.640 4.640 4.279 0.361 18250 5682 1 6 . 1 1 157 157 ASN C C 157 175.436 175.436 176.246 -0.810 18250 5683 1 6 . 1 1 157 157 ASN CA C 157 53.482 53.482 56.092 -2.610 18250 5684 1 6 . 1 1 157 157 ASN CB C 157 38.726 38.726 38.383 0.343 18250 5685 1 6 . 1 1 157 157 ASN H H 157 8.429 8.429 8.598 -0.169 18250 5686 1 6 . 1 1 158 158 ASN N N 158 119.251 119.251 118.190 1.061 18250 5687 1 6 . 1 1 158 158 ASN HA H 158 4.634 4.634 4.357 0.277 18250 5688 1 6 . 1 1 158 158 ASN C C 158 175.574 175.574 176.621 -1.047 18250 5689 1 6 . 1 1 158 158 ASN CA C 158 53.845 53.845 56.965 -3.120 18250 5690 1 6 . 1 1 158 158 ASN CB C 158 38.841 38.841 38.259 0.582 18250 5691 1 6 . 1 1 158 158 ASN H H 158 8.444 8.444 8.508 -0.064 18250 5692 1 6 . 1 1 159 159 ALA N N 159 123.557 123.557 121.696 1.861 18250 5693 1 6 . 1 1 159 159 ALA HA H 159 4.185 4.185 4.092 0.093 18250 5694 1 6 . 1 1 159 159 ALA C C 159 178.451 178.451 179.419 -0.968 18250 5695 1 6 . 1 1 159 159 ALA CA C 159 53.732 53.732 54.686 -0.954 18250 5696 1 6 . 1 1 159 159 ALA CB C 159 18.793 18.793 18.073 0.720 18250 5697 1 6 . 1 1 159 159 ALA H H 159 8.216 8.216 7.687 0.529 18250 5698 1 6 . 1 1 160 160 ALA N N 160 121.918 121.918 121.073 0.845 18250 5699 1 6 . 1 1 160 160 ALA HA H 160 4.236 4.236 3.892 0.344 18250 5700 1 6 . 1 1 160 160 ALA C C 160 178.493 178.493 179.267 -0.774 18250 5701 1 6 . 1 1 160 160 ALA CA C 160 53.131 53.131 54.826 -1.695 18250 5702 1 6 . 1 1 160 160 ALA CB C 160 18.623 18.623 18.399 0.224 18250 5703 1 6 . 1 1 160 160 ALA H H 160 8.159 8.159 7.855 0.304 18250 5704 1 6 . 1 1 161 161 ALA N N 161 122.552 122.552 120.361 2.191 18250 5705 1 6 . 1 1 161 161 ALA HA H 161 4.160 4.160 3.865 0.295 18250 5706 1 6 . 1 1 161 161 ALA C C 161 178.993 178.993 179.546 -0.553 18250 5707 1 6 . 1 1 161 161 ALA CA C 161 53.807 53.807 55.114 -1.307 18250 5708 1 6 . 1 1 161 161 ALA CB C 161 18.845 18.845 18.241 0.604 18250 5709 1 6 . 1 1 161 161 ALA H H 161 8.054 8.054 8.401 -0.347 18250 5710 1 6 . 1 1 162 162 GLU N N 162 118.709 118.709 117.897 0.812 18250 5711 1 6 . 1 1 162 162 GLU HA H 162 4.175 4.175 4.094 0.081 18250 5712 1 6 . 1 1 162 162 GLU C C 162 177.630 177.630 178.859 -1.229 18250 5713 1 6 . 1 1 162 162 GLU CA C 162 57.788 57.788 58.524 -0.736 18250 5714 1 6 . 1 1 162 162 GLU CB C 162 29.767 29.767 29.150 0.617 18250 5715 1 6 . 1 1 162 162 GLU H H 162 8.330 8.330 7.828 0.502 18250 5716 1 6 . 1 1 163 163 SER N N 163 115.336 115.336 115.136 0.200 18250 5717 1 6 . 1 1 163 163 SER HA H 163 4.378 4.378 4.238 0.140 18250 5718 1 6 . 1 1 163 163 SER C C 163 175.241 175.241 176.608 -1.367 18250 5719 1 6 . 1 1 163 163 SER CA C 163 59.419 59.419 61.294 -1.875 18250 5720 1 6 . 1 1 163 163 SER CB C 163 63.456 63.456 63.269 0.187 18250 5721 1 6 . 1 1 163 163 SER H H 163 8.122 8.122 8.021 0.101 18250 5722 1 6 . 1 1 164 164 ARG N N 164 121.905 121.905 121.183 0.722 18250 5723 1 6 . 1 1 164 164 ARG HA H 164 4.328 4.328 4.090 0.238 18250 5724 1 6 . 1 1 164 164 ARG C C 164 176.812 176.812 178.870 -2.058 18250 5725 1 6 . 1 1 164 164 ARG CA C 164 56.772 56.772 59.012 -2.240 18250 5726 1 6 . 1 1 164 164 ARG CB C 164 30.508 30.508 30.205 0.303 18250 5727 1 6 . 1 1 164 164 ARG H H 164 8.054 8.054 8.013 0.041 18250 5728 1 6 . 1 1 165 165 LYS N N 165 121.165 121.165 118.410 2.755 18250 5729 1 6 . 1 1 165 165 LYS HA H 165 4.247 4.247 4.227 0.020 18250 5730 1 6 . 1 1 165 165 LYS C C 165 177.580 177.580 178.110 -0.530 18250 5731 1 6 . 1 1 165 165 LYS CA C 165 57.272 57.272 58.045 -0.773 18250 5732 1 6 . 1 1 165 165 LYS CB C 165 32.845 32.845 32.009 0.836 18250 5733 1 6 . 1 1 165 165 LYS H H 165 8.111 8.111 7.890 0.221 18250 5734 1 6 . 1 1 166 166 GLY N N 166 109.466 109.466 108.419 1.047 18250 5735 1 6 . 1 1 166 166 GLY C C 166 174.696 174.696 175.754 -1.058 18250 5736 1 6 . 1 1 166 166 GLY CA C 166 45.691 45.691 47.172 -1.481 18250 5737 1 6 . 1 1 166 166 GLY H H 166 8.444 8.444 7.890 0.554 18250 5738 1 6 . 1 1 167 167 GLN N N 167 119.704 119.704 121.355 -1.651 18250 5739 1 6 . 1 1 167 167 GLN HA H 167 4.342 4.342 3.976 0.366 18250 5740 1 6 . 1 1 167 167 GLN C C 167 176.093 176.093 178.167 -2.074 18250 5741 1 6 . 1 1 167 167 GLN CA C 167 56.161 56.161 58.809 -2.648 18250 5742 1 6 . 1 1 167 167 GLN CB C 167 29.403 29.403 28.087 1.316 18250 5743 1 6 . 1 1 167 167 GLN H H 167 8.143 8.143 7.907 0.236 18250 5744 1 6 . 1 1 168 168 GLU N N 168 121.765 121.765 119.180 2.585 18250 5745 1 6 . 1 1 168 168 GLU HA H 168 4.224 4.224 3.696 0.528 18250 5746 1 6 . 1 1 168 168 GLU C C 168 176.750 176.750 178.993 -2.243 18250 5747 1 6 . 1 1 168 168 GLU CA C 168 57.344 57.344 59.020 -1.676 18250 5748 1 6 . 1 1 168 168 GLU CB C 168 29.990 29.990 29.283 0.707 18250 5749 1 6 . 1 1 168 168 GLU H H 168 8.526 8.526 8.342 0.184 18250 5750 1 6 . 1 1 169 169 ARG N N 169 121.114 121.114 118.180 2.934 18250 5751 1 6 . 1 1 169 169 ARG HA H 169 4.291 4.291 3.987 0.304 18250 5752 1 6 . 1 1 169 169 ARG C C 169 177.587 177.587 178.019 -0.432 18250 5753 1 6 . 1 1 169 169 ARG CA C 169 56.338 56.338 58.837 -2.499 18250 5754 1 6 . 1 1 169 169 ARG CB C 169 30.516 30.516 30.146 0.370 18250 5755 1 6 . 1 1 169 169 ARG H H 169 8.284 8.284 7.760 0.524 18250 5756 1 6 . 1 1 170 170 LEU N N 170 122.853 122.853 117.762 5.091 18250 5757 1 6 . 1 1 170 170 LEU HA H 170 4.399 4.399 4.254 0.145 18250 5758 1 6 . 1 1 170 170 LEU C C 170 177.364 177.364 178.682 -1.318 18250 5759 1 6 . 1 1 170 170 LEU CA C 170 55.290 55.290 56.956 -1.666 18250 5760 1 6 . 1 1 170 170 LEU CB C 170 42.424 42.424 42.188 0.236 18250 5761 1 6 . 1 1 170 170 LEU H H 170 8.181 8.181 7.927 0.254 18250 5762 1 6 . 1 1 171 171 GLU N N 171 120.823 120.823 116.160 4.663 18250 5763 1 6 . 1 1 171 171 GLU C C 171 176.255 176.255 177.297 -1.042 18250 5764 1 6 . 1 1 171 171 GLU CA C 171 56.725 56.725 57.253 -0.528 18250 5765 1 6 . 1 1 171 171 GLU CB C 171 30.289 30.289 30.221 0.068 18250 5766 1 6 . 1 1 171 171 GLU H H 171 8.352 8.352 7.507 0.845 18250 5767 1 7 . 1 1 2 2 SER N N 2 122.263 122.263 114.160 8.103 18250 5768 1 7 . 1 1 2 2 SER HA H 2 4.270 4.270 4.482 -0.212 18250 5769 1 7 . 1 1 2 2 SER CA C 2 59.961 59.961 59.362 0.599 18250 5770 1 7 . 1 1 2 2 SER CB C 2 64.958 64.958 61.498 3.460 18250 5771 1 7 . 1 1 2 2 SER H H 2 7.955 7.955 8.427 -0.472 18250 5772 1 7 . 1 1 3 3 GLN HA H 3 4.387 4.387 4.216 0.171 18250 5773 1 7 . 1 1 3 3 GLN C C 3 179.078 179.078 177.749 1.329 18250 5774 1 7 . 1 1 3 3 GLN CA C 3 56.616 56.616 58.348 -1.732 18250 5775 1 7 . 1 1 3 3 GLN CB C 3 29.224 29.224 28.614 0.610 18250 5776 1 7 . 1 1 4 4 SER N N 4 117.102 117.102 114.723 2.379 18250 5777 1 7 . 1 1 4 4 SER HA H 4 4.465 4.465 4.520 -0.055 18250 5778 1 7 . 1 1 4 4 SER C C 4 175.930 175.930 176.002 -0.072 18250 5779 1 7 . 1 1 4 4 SER CA C 4 58.994 58.994 61.145 -2.151 18250 5780 1 7 . 1 1 4 4 SER CB C 4 63.490 63.490 62.790 0.700 18250 5781 1 7 . 1 1 4 4 SER H H 4 8.647 8.647 8.403 0.244 18250 5782 1 7 . 1 1 5 5 ASN N N 5 122.476 122.476 120.685 1.791 18250 5783 1 7 . 1 1 5 5 ASN HA H 5 4.744 4.744 4.587 0.157 18250 5784 1 7 . 1 1 5 5 ASN C C 5 177.378 177.378 177.412 -0.034 18250 5785 1 7 . 1 1 5 5 ASN CA C 5 56.150 56.150 56.337 -0.187 18250 5786 1 7 . 1 1 5 5 ASN CB C 5 38.363 38.363 37.973 0.390 18250 5787 1 7 . 1 1 5 5 ASN H H 5 8.603 8.603 8.572 0.031 18250 5788 1 7 . 1 1 6 6 ARG N N 6 120.024 120.024 120.696 -0.672 18250 5789 1 7 . 1 1 6 6 ARG HA H 6 3.927 3.927 4.134 -0.207 18250 5790 1 7 . 1 1 6 6 ARG C C 6 177.331 177.331 177.707 -0.376 18250 5791 1 7 . 1 1 6 6 ARG CA C 6 59.861 59.861 59.193 0.668 18250 5792 1 7 . 1 1 6 6 ARG CB C 6 29.756 29.756 30.153 -0.397 18250 5793 1 7 . 1 1 6 6 ARG H H 6 8.252 8.252 7.700 0.552 18250 5794 1 7 . 1 1 7 7 GLU N N 7 117.799 117.799 120.120 -2.321 18250 5795 1 7 . 1 1 7 7 GLU HA H 7 3.907 3.907 4.052 -0.145 18250 5796 1 7 . 1 1 7 7 GLU C C 7 179.388 179.388 179.374 0.014 18250 5797 1 7 . 1 1 7 7 GLU CA C 7 59.380 59.380 59.455 -0.075 18250 5798 1 7 . 1 1 7 7 GLU CB C 7 29.624 29.624 29.251 0.373 18250 5799 1 7 . 1 1 7 7 GLU H H 7 7.953 7.953 7.920 0.033 18250 5800 1 7 . 1 1 8 8 LEU N N 8 119.794 119.794 117.688 2.106 18250 5801 1 7 . 1 1 8 8 LEU HA H 8 3.875 3.875 4.071 -0.196 18250 5802 1 7 . 1 1 8 8 LEU C C 8 178.368 178.368 178.390 -0.022 18250 5803 1 7 . 1 1 8 8 LEU CA C 8 58.116 58.116 57.052 1.064 18250 5804 1 7 . 1 1 8 8 LEU CB C 8 41.926 41.926 41.681 0.245 18250 5805 1 7 . 1 1 8 8 LEU H H 8 7.726 7.726 7.527 0.199 18250 5806 1 7 . 1 1 9 9 VAL N N 9 117.818 117.818 117.160 0.658 18250 5807 1 7 . 1 1 9 9 VAL HA H 9 3.678 3.678 3.969 -0.291 18250 5808 1 7 . 1 1 9 9 VAL C C 9 177.085 177.085 177.508 -0.423 18250 5809 1 7 . 1 1 9 9 VAL CA C 9 67.766 67.766 65.317 2.449 18250 5810 1 7 . 1 1 9 9 VAL CB C 9 32.429 32.429 32.097 0.332 18250 5811 1 7 . 1 1 9 9 VAL H H 9 7.765 7.765 7.305 0.460 18250 5812 1 7 . 1 1 10 10 VAL N N 10 117.317 117.317 121.163 -3.846 18250 5813 1 7 . 1 1 10 10 VAL HA H 10 2.926 2.926 3.296 -0.370 18250 5814 1 7 . 1 1 10 10 VAL C C 10 178.588 178.588 177.503 1.085 18250 5815 1 7 . 1 1 10 10 VAL CA C 10 67.029 67.029 67.550 -0.521 18250 5816 1 7 . 1 1 10 10 VAL CB C 10 31.401 31.401 30.787 0.614 18250 5817 1 7 . 1 1 10 10 VAL H H 10 8.333 8.333 8.720 -0.387 18250 5818 1 7 . 1 1 11 11 ASP N N 11 120.859 120.859 119.477 1.382 18250 5819 1 7 . 1 1 11 11 ASP HA H 11 4.083 4.083 4.203 -0.120 18250 5820 1 7 . 1 1 11 11 ASP C C 11 177.495 177.495 178.952 -1.457 18250 5821 1 7 . 1 1 11 11 ASP CA C 11 58.947 58.947 57.584 1.363 18250 5822 1 7 . 1 1 11 11 ASP CB C 11 43.345 43.345 40.886 2.459 18250 5823 1 7 . 1 1 11 11 ASP H H 11 8.070 8.070 7.957 0.113 18250 5824 1 7 . 1 1 12 12 PHE N N 12 120.293 120.293 120.666 -0.373 18250 5825 1 7 . 1 1 12 12 PHE HA H 12 3.953 3.953 4.322 -0.369 18250 5826 1 7 . 1 1 12 12 PHE C C 12 178.083 178.083 176.943 1.140 18250 5827 1 7 . 1 1 12 12 PHE CA C 12 63.221 63.221 60.737 2.484 18250 5828 1 7 . 1 1 12 12 PHE CB C 12 40.134 40.134 39.497 0.637 18250 5829 1 7 . 1 1 12 12 PHE H H 12 8.327 8.327 7.273 1.054 18250 5830 1 7 . 1 1 13 13 LEU N N 13 116.845 116.845 119.993 -3.148 18250 5831 1 7 . 1 1 13 13 LEU HA H 13 3.990 3.990 3.895 0.095 18250 5832 1 7 . 1 1 13 13 LEU C C 13 179.454 179.454 178.975 0.479 18250 5833 1 7 . 1 1 13 13 LEU CA C 13 58.291 58.291 57.766 0.525 18250 5834 1 7 . 1 1 13 13 LEU CB C 13 41.739 41.739 41.363 0.376 18250 5835 1 7 . 1 1 13 13 LEU H H 13 8.907 8.907 8.828 0.079 18250 5836 1 7 . 1 1 14 14 SER N N 14 114.306 114.306 115.158 -0.852 18250 5837 1 7 . 1 1 14 14 SER HA H 14 4.257 4.257 4.034 0.223 18250 5838 1 7 . 1 1 14 14 SER C C 14 177.281 177.281 176.824 0.457 18250 5839 1 7 . 1 1 14 14 SER CA C 14 62.641 62.641 61.824 0.817 18250 5840 1 7 . 1 1 14 14 SER CB C 14 62.594 62.594 62.748 -0.154 18250 5841 1 7 . 1 1 14 14 SER H H 14 8.503 8.503 8.378 0.125 18250 5842 1 7 . 1 1 15 15 TYR N N 15 124.988 124.988 122.498 2.490 18250 5843 1 7 . 1 1 15 15 TYR HA H 15 4.388 4.388 4.316 0.072 18250 5844 1 7 . 1 1 15 15 TYR C C 15 178.247 178.247 177.558 0.689 18250 5845 1 7 . 1 1 15 15 TYR CA C 15 60.311 60.311 61.153 -0.841 18250 5846 1 7 . 1 1 15 15 TYR CB C 15 37.990 37.990 38.252 -0.262 18250 5847 1 7 . 1 1 15 15 TYR H H 15 8.252 8.252 7.714 0.538 18250 5848 1 7 . 1 1 16 16 LYS N N 16 120.256 120.256 119.557 0.699 18250 5849 1 7 . 1 1 16 16 LYS HA H 16 3.829 3.829 3.926 -0.098 18250 5850 1 7 . 1 1 16 16 LYS C C 16 180.272 180.272 178.708 1.564 18250 5851 1 7 . 1 1 16 16 LYS CA C 16 57.063 57.063 58.162 -1.099 18250 5852 1 7 . 1 1 16 16 LYS CB C 16 29.849 29.849 31.951 -2.102 18250 5853 1 7 . 1 1 16 16 LYS H H 16 8.331 8.331 7.199 1.132 18250 5854 1 7 . 1 1 17 17 LEU N N 17 118.564 118.564 120.112 -1.548 18250 5855 1 7 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.141 -0.066 18250 5856 1 7 . 1 1 17 17 LEU C C 17 179.917 179.917 178.608 1.309 18250 5857 1 7 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.428 0.265 18250 5858 1 7 . 1 1 17 17 LEU CB C 17 41.178 41.178 41.941 -0.763 18250 5859 1 7 . 1 1 17 17 LEU H H 17 8.726 8.726 8.709 0.017 18250 5860 1 7 . 1 1 18 18 SER N N 18 117.861 117.861 114.905 2.956 18250 5861 1 7 . 1 1 18 18 SER HA H 18 4.696 4.696 4.440 0.256 18250 5862 1 7 . 1 1 18 18 SER C C 18 178.612 178.612 176.353 2.259 18250 5863 1 7 . 1 1 18 18 SER CA C 18 61.783 61.783 61.124 0.659 18250 5864 1 7 . 1 1 18 18 SER CB C 18 62.613 62.613 63.060 -0.447 18250 5865 1 7 . 1 1 18 18 SER H H 18 8.394 8.394 8.466 -0.072 18250 5866 1 7 . 1 1 19 19 GLN N N 19 122.899 122.899 121.036 1.863 18250 5867 1 7 . 1 1 19 19 GLN HA H 19 4.017 4.017 4.014 0.003 18250 5868 1 7 . 1 1 19 19 GLN C C 19 177.237 177.237 177.452 -0.215 18250 5869 1 7 . 1 1 19 19 GLN CA C 19 58.536 58.536 58.136 0.400 18250 5870 1 7 . 1 1 19 19 GLN CB C 19 28.795 28.795 28.490 0.305 18250 5871 1 7 . 1 1 19 19 GLN H H 19 7.691 7.691 7.291 0.400 18250 5872 1 7 . 1 1 20 20 LYS N N 20 116.425 116.425 116.576 -0.151 18250 5873 1 7 . 1 1 20 20 LYS HA H 20 4.425 4.425 4.237 0.188 18250 5874 1 7 . 1 1 20 20 LYS C C 20 175.581 175.581 176.123 -0.542 18250 5875 1 7 . 1 1 20 20 LYS CA C 20 54.032 54.032 55.701 -1.669 18250 5876 1 7 . 1 1 20 20 LYS CB C 20 32.659 32.659 32.374 0.285 18250 5877 1 7 . 1 1 20 20 LYS H H 20 7.268 7.268 7.534 -0.266 18250 5878 1 7 . 1 1 21 21 GLY N N 21 105.593 105.593 105.648 -0.055 18250 5879 1 7 . 1 1 21 21 GLY C C 21 174.012 174.012 174.256 -0.244 18250 5880 1 7 . 1 1 21 21 GLY CA C 21 45.316 45.316 45.290 0.026 18250 5881 1 7 . 1 1 21 21 GLY H H 21 7.620 7.620 7.513 0.107 18250 5882 1 7 . 1 1 22 22 TYR N N 22 119.884 119.884 119.812 0.072 18250 5883 1 7 . 1 1 22 22 TYR HA H 22 5.047 5.047 4.892 0.155 18250 5884 1 7 . 1 1 22 22 TYR C C 22 175.024 175.024 174.920 0.104 18250 5885 1 7 . 1 1 22 22 TYR CA C 22 55.645 55.645 56.133 -0.488 18250 5886 1 7 . 1 1 22 22 TYR CB C 22 40.969 40.969 41.147 -0.178 18250 5887 1 7 . 1 1 22 22 TYR H H 22 7.892 7.892 8.162 -0.270 18250 5888 1 7 . 1 1 23 23 SER N N 23 115.410 115.410 115.541 -0.131 18250 5889 1 7 . 1 1 23 23 SER HA H 23 4.863 4.863 4.736 0.127 18250 5890 1 7 . 1 1 23 23 SER C C 23 174.483 174.483 174.799 -0.316 18250 5891 1 7 . 1 1 23 23 SER CA C 23 56.776 56.776 56.390 0.386 18250 5892 1 7 . 1 1 23 23 SER CB C 23 64.778 64.778 63.701 1.077 18250 5893 1 7 . 1 1 23 23 SER H H 23 8.561 8.561 8.535 0.026 18250 5894 1 7 . 1 1 24 24 TRP N N 24 127.533 127.533 130.106 -2.573 18250 5895 1 7 . 1 1 24 24 TRP HA H 24 4.346 4.346 4.585 -0.239 18250 5896 1 7 . 1 1 24 24 TRP C C 24 176.876 176.876 176.251 0.625 18250 5897 1 7 . 1 1 24 24 TRP CA C 24 60.051 60.051 59.340 0.711 18250 5898 1 7 . 1 1 24 24 TRP CB C 24 30.824 30.824 29.909 0.915 18250 5899 1 7 . 1 1 24 24 TRP H H 24 9.026 9.026 9.300 -0.274 18250 5900 1 7 . 1 1 25 25 SER N N 25 112.236 112.236 113.563 -1.327 18250 5901 1 7 . 1 1 25 25 SER HA H 25 4.104 4.104 3.975 0.129 18250 5902 1 7 . 1 1 25 25 SER C C 25 175.164 175.164 175.270 -0.106 18250 5903 1 7 . 1 1 25 25 SER CA C 25 60.033 60.033 61.383 -1.350 18250 5904 1 7 . 1 1 25 25 SER CB C 25 62.931 62.931 62.818 0.113 18250 5905 1 7 . 1 1 25 25 SER H H 25 8.236 8.236 7.657 0.579 18250 5906 1 7 . 1 1 26 26 GLN N N 26 119.530 119.530 117.277 2.253 18250 5907 1 7 . 1 1 26 26 GLN HA H 26 3.895 3.895 4.168 -0.273 18250 5908 1 7 . 1 1 26 26 GLN C C 26 176.075 176.075 176.205 -0.130 18250 5909 1 7 . 1 1 26 26 GLN CA C 26 56.959 56.959 56.107 0.852 18250 5910 1 7 . 1 1 26 26 GLN CB C 26 28.764 28.764 28.493 0.271 18250 5911 1 7 . 1 1 26 26 GLN H H 26 7.467 7.467 7.038 0.429 18250 5912 1 7 . 1 1 27 27 PHE N N 27 116.668 116.668 118.502 -1.834 18250 5913 1 7 . 1 1 27 27 PHE HA H 27 4.594 4.594 4.445 0.149 18250 5914 1 7 . 1 1 27 27 PHE C C 27 175.107 175.107 175.952 -0.845 18250 5915 1 7 . 1 1 27 27 PHE CA C 27 56.629 56.629 57.913 -1.284 18250 5916 1 7 . 1 1 27 27 PHE CB C 27 39.909 39.909 39.690 0.219 18250 5917 1 7 . 1 1 27 27 PHE H H 27 7.343 7.343 7.354 -0.011 18250 5918 1 7 . 1 1 28 28 SER N N 28 114.121 114.121 114.183 -0.062 18250 5919 1 7 . 1 1 28 28 SER HA H 28 4.151 4.151 4.266 -0.115 18250 5920 1 7 . 1 1 28 28 SER C C 28 173.703 173.703 173.532 0.171 18250 5921 1 7 . 1 1 28 28 SER CA C 28 57.662 57.662 56.491 1.171 18250 5922 1 7 . 1 1 28 28 SER CB C 28 63.931 63.931 64.471 -0.540 18250 5923 1 7 . 1 1 28 28 SER H H 28 7.336 7.336 7.353 -0.017 18250 5924 1 7 . 1 1 29 29 ASP N N 29 122.733 122.733 123.560 -0.827 18250 5925 1 7 . 1 1 29 29 ASP HA H 29 4.601 4.601 4.613 -0.012 18250 5926 1 7 . 1 1 29 29 ASP C C 29 176.320 176.320 175.882 0.438 18250 5927 1 7 . 1 1 29 29 ASP CA C 29 54.194 54.194 54.934 -0.740 18250 5928 1 7 . 1 1 29 29 ASP CB C 29 41.145 41.145 40.649 0.496 18250 5929 1 7 . 1 1 29 29 ASP H H 29 8.370 8.370 8.525 -0.155 18250 5930 1 7 . 1 1 30 30 VAL N N 30 119.197 119.197 123.697 -4.500 18250 5931 1 7 . 1 1 30 30 VAL HA H 30 4.096 4.096 4.213 -0.117 18250 5932 1 7 . 1 1 30 30 VAL C C 30 176.232 176.232 177.466 -1.234 18250 5933 1 7 . 1 1 30 30 VAL CA C 30 62.417 62.417 63.611 -1.194 18250 5934 1 7 . 1 1 30 30 VAL CB C 30 33.024 33.024 33.453 -0.429 18250 5935 1 7 . 1 1 30 30 VAL H H 30 7.968 7.968 7.724 0.244 18250 5936 1 7 . 1 1 31 31 GLU N N 31 124.470 124.470 119.297 5.173 18250 5937 1 7 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.078 0.182 18250 5938 1 7 . 1 1 31 31 GLU C C 31 176.526 176.526 178.902 -2.376 18250 5939 1 7 . 1 1 31 31 GLU CA C 31 56.706 56.706 59.290 -2.584 18250 5940 1 7 . 1 1 31 31 GLU CB C 31 30.250 30.250 29.442 0.808 18250 5941 1 7 . 1 1 31 31 GLU H H 31 8.502 8.502 8.763 -0.261 18250 5942 1 7 . 1 1 32 32 GLU N N 32 122.145 122.145 120.406 1.739 18250 5943 1 7 . 1 1 32 32 GLU HA H 32 4.233 4.233 4.181 0.052 18250 5944 1 7 . 1 1 32 32 GLU C C 32 176.172 176.172 176.363 -0.191 18250 5945 1 7 . 1 1 32 32 GLU CA C 32 56.732 56.732 58.015 -1.283 18250 5946 1 7 . 1 1 32 32 GLU CB C 32 30.643 30.643 30.026 0.617 18250 5947 1 7 . 1 1 32 32 GLU H H 32 8.426 8.426 8.617 -0.191 18250 5948 1 7 . 1 1 33 33 ASN N N 33 119.562 119.562 119.317 0.245 18250 5949 1 7 . 1 1 33 33 ASN HA H 33 4.708 4.708 4.788 -0.080 18250 5950 1 7 . 1 1 33 33 ASN C C 33 174.983 174.983 174.152 0.831 18250 5951 1 7 . 1 1 33 33 ASN CA C 33 53.360 53.360 52.336 1.024 18250 5952 1 7 . 1 1 33 33 ASN CB C 33 38.994 38.994 39.078 -0.084 18250 5953 1 7 . 1 1 33 33 ASN H H 33 8.503 8.503 8.200 0.303 18250 5954 1 7 . 1 1 34 34 ARG N N 34 122.040 122.040 125.262 -3.222 18250 5955 1 7 . 1 1 34 34 ARG HA H 34 4.411 4.411 4.421 -0.010 18250 5956 1 7 . 1 1 34 34 ARG C C 34 176.470 176.470 176.643 -0.173 18250 5957 1 7 . 1 1 34 34 ARG CA C 34 56.151 56.151 55.861 0.290 18250 5958 1 7 . 1 1 34 34 ARG CB C 34 30.891 30.891 29.289 1.602 18250 5959 1 7 . 1 1 34 34 ARG H H 34 8.330 8.330 8.675 -0.345 18250 5960 1 7 . 1 1 35 35 THR N N 35 115.850 115.850 118.300 -2.450 18250 5961 1 7 . 1 1 35 35 THR HA H 35 4.329 4.329 4.441 -0.112 18250 5962 1 7 . 1 1 35 35 THR C C 35 174.429 174.429 174.625 -0.196 18250 5963 1 7 . 1 1 35 35 THR CA C 35 62.079 62.079 61.453 0.626 18250 5964 1 7 . 1 1 35 35 THR CB C 35 69.825 69.825 68.621 1.204 18250 5965 1 7 . 1 1 35 35 THR H H 35 8.283 8.283 8.215 0.068 18250 5966 1 7 . 1 1 36 36 GLU N N 36 123.074 123.074 127.709 -4.635 18250 5967 1 7 . 1 1 36 36 GLU HA H 36 4.311 4.311 4.280 0.031 18250 5968 1 7 . 1 1 36 36 GLU C C 36 175.641 175.641 176.022 -0.381 18250 5969 1 7 . 1 1 36 36 GLU CA C 36 56.396 56.396 56.280 0.116 18250 5970 1 7 . 1 1 36 36 GLU CB C 36 30.379 30.379 29.042 1.337 18250 5971 1 7 . 1 1 36 36 GLU H H 36 8.402 8.402 8.489 -0.087 18250 5972 1 7 . 1 1 37 37 ALA N N 37 126.190 126.190 130.668 -4.478 18250 5973 1 7 . 1 1 37 37 ALA HA H 37 4.613 4.613 4.368 0.245 18250 5974 1 7 . 1 1 37 37 ALA C C 37 175.419 175.419 176.085 -0.666 18250 5975 1 7 . 1 1 37 37 ALA CA C 37 50.532 50.532 50.633 -0.101 18250 5976 1 7 . 1 1 37 37 ALA CB C 37 18.633 18.633 18.764 -0.131 18250 5977 1 7 . 1 1 37 37 ALA H H 37 8.314 8.314 8.195 0.119 18250 5978 1 7 . 1 1 38 38 PRO HA H 38 4.427 4.427 4.518 -0.091 18250 5979 1 7 . 1 1 38 38 PRO C C 38 177.029 177.029 176.271 0.758 18250 5980 1 7 . 1 1 38 38 PRO CA C 38 63.216 63.216 62.026 1.190 18250 5981 1 7 . 1 1 38 38 PRO CB C 38 32.134 32.134 32.488 -0.354 18250 5982 1 7 . 1 1 39 39 GLU N N 39 121.295 121.295 119.322 1.973 18250 5983 1 7 . 1 1 39 39 GLU HA H 39 4.301 4.301 4.248 0.053 18250 5984 1 7 . 1 1 39 39 GLU C C 39 177.079 177.079 177.254 -0.175 18250 5985 1 7 . 1 1 39 39 GLU CA C 39 56.836 56.836 56.694 0.142 18250 5986 1 7 . 1 1 39 39 GLU CB C 39 30.441 30.441 29.127 1.314 18250 5987 1 7 . 1 1 39 39 GLU H H 39 8.640 8.640 8.605 0.035 18250 5988 1 7 . 1 1 40 40 GLY N N 40 110.317 110.317 115.856 -5.539 18250 5989 1 7 . 1 1 40 40 GLY C C 40 174.602 174.602 174.641 -0.039 18250 5990 1 7 . 1 1 40 40 GLY CA C 40 45.485 45.485 44.679 0.806 18250 5991 1 7 . 1 1 40 40 GLY H H 40 8.521 8.521 8.888 -0.367 18250 5992 1 7 . 1 1 41 41 THR N N 41 113.178 113.178 118.478 -5.300 18250 5993 1 7 . 1 1 41 41 THR HA H 41 4.385 4.385 3.869 0.516 18250 5994 1 7 . 1 1 41 41 THR C C 41 175.499 175.499 176.179 -0.680 18250 5995 1 7 . 1 1 41 41 THR CA C 41 62.273 62.273 66.140 -3.867 18250 5996 1 7 . 1 1 41 41 THR CB C 41 69.917 69.917 69.025 0.892 18250 5997 1 7 . 1 1 41 41 THR H H 41 8.268 8.268 7.823 0.445 18250 5998 1 7 . 1 1 42 42 GLU N N 42 123.140 123.140 121.969 1.171 18250 5999 1 7 . 1 1 42 42 GLU HA H 42 4.371 4.371 4.003 0.368 18250 6000 1 7 . 1 1 42 42 GLU C C 42 177.161 177.161 178.405 -1.244 18250 6001 1 7 . 1 1 42 42 GLU CA C 42 57.492 57.492 59.309 -1.817 18250 6002 1 7 . 1 1 42 42 GLU CB C 42 29.924 29.924 29.303 0.621 18250 6003 1 7 . 1 1 42 42 GLU H H 42 8.847 8.847 8.850 -0.003 18250 6004 1 7 . 1 1 43 43 SER N N 43 115.679 115.679 114.766 0.913 18250 6005 1 7 . 1 1 43 43 SER HA H 43 4.430 4.430 3.958 0.472 18250 6006 1 7 . 1 1 43 43 SER C C 43 175.673 175.673 176.398 -0.725 18250 6007 1 7 . 1 1 43 43 SER CA C 43 58.925 58.925 61.318 -2.393 18250 6008 1 7 . 1 1 43 43 SER CB C 43 63.710 63.710 62.942 0.768 18250 6009 1 7 . 1 1 43 43 SER H H 43 8.510 8.510 8.478 0.032 18250 6010 1 7 . 1 1 44 44 GLU N N 44 123.102 123.102 120.855 2.247 18250 6011 1 7 . 1 1 44 44 GLU HA H 44 3.992 3.992 4.084 -0.092 18250 6012 1 7 . 1 1 44 44 GLU C C 44 177.924 177.924 177.929 -0.005 18250 6013 1 7 . 1 1 44 44 GLU CA C 44 59.074 59.074 58.485 0.589 18250 6014 1 7 . 1 1 44 44 GLU CB C 44 29.413 29.413 29.331 0.082 18250 6015 1 7 . 1 1 44 44 GLU H H 44 8.350 8.350 7.793 0.557 18250 6016 1 7 . 1 1 45 45 ALA N N 45 120.958 120.958 122.485 -1.527 18250 6017 1 7 . 1 1 45 45 ALA HA H 45 4.131 4.131 4.116 0.015 18250 6018 1 7 . 1 1 45 45 ALA C C 45 180.641 180.641 179.199 1.442 18250 6019 1 7 . 1 1 45 45 ALA CA C 45 55.157 55.157 54.786 0.371 18250 6020 1 7 . 1 1 45 45 ALA CB C 45 18.575 18.575 18.720 -0.145 18250 6021 1 7 . 1 1 45 45 ALA H H 45 8.227 8.227 7.475 0.752 18250 6022 1 7 . 1 1 46 46 VAL N N 46 118.867 118.867 119.352 -0.485 18250 6023 1 7 . 1 1 46 46 VAL HA H 46 3.496 3.496 3.583 -0.087 18250 6024 1 7 . 1 1 46 46 VAL C C 46 176.724 176.724 176.801 -0.077 18250 6025 1 7 . 1 1 46 46 VAL CA C 46 66.189 66.189 65.247 0.942 18250 6026 1 7 . 1 1 46 46 VAL CB C 46 31.811 31.811 31.047 0.764 18250 6027 1 7 . 1 1 46 46 VAL H H 46 7.569 7.569 7.528 0.041 18250 6028 1 7 . 1 1 47 47 LYS N N 47 117.922 117.922 119.754 -1.832 18250 6029 1 7 . 1 1 47 47 LYS HA H 47 3.719 3.719 3.700 0.019 18250 6030 1 7 . 1 1 47 47 LYS C C 47 178.888 178.888 178.523 0.365 18250 6031 1 7 . 1 1 47 47 LYS CA C 47 59.801 59.801 59.934 -0.133 18250 6032 1 7 . 1 1 47 47 LYS CB C 47 32.514 32.514 31.973 0.541 18250 6033 1 7 . 1 1 47 47 LYS H H 47 7.437 7.437 8.230 -0.793 18250 6034 1 7 . 1 1 48 48 GLN N N 48 116.490 116.490 119.035 -2.545 18250 6035 1 7 . 1 1 48 48 GLN HA H 48 3.712 3.712 3.972 -0.260 18250 6036 1 7 . 1 1 48 48 GLN C C 48 177.625 177.625 177.863 -0.238 18250 6037 1 7 . 1 1 48 48 GLN CA C 48 59.027 59.027 58.766 0.261 18250 6038 1 7 . 1 1 48 48 GLN CB C 48 28.103 28.103 28.553 -0.450 18250 6039 1 7 . 1 1 48 48 GLN H H 48 8.168 8.168 7.453 0.715 18250 6040 1 7 . 1 1 49 49 ALA N N 49 120.362 120.362 123.595 -3.233 18250 6041 1 7 . 1 1 49 49 ALA HA H 49 4.227 4.227 3.898 0.329 18250 6042 1 7 . 1 1 49 49 ALA C C 49 179.807 179.807 179.569 0.238 18250 6043 1 7 . 1 1 49 49 ALA CA C 49 54.930 54.930 55.043 -0.113 18250 6044 1 7 . 1 1 49 49 ALA CB C 49 18.708 18.708 18.293 0.415 18250 6045 1 7 . 1 1 49 49 ALA H H 49 7.789 7.789 7.848 -0.059 18250 6046 1 7 . 1 1 50 50 LEU N N 50 120.591 120.591 118.138 2.453 18250 6047 1 7 . 1 1 50 50 LEU HA H 50 4.151 4.151 3.965 0.186 18250 6048 1 7 . 1 1 50 50 LEU C C 50 179.225 179.225 178.967 0.258 18250 6049 1 7 . 1 1 50 50 LEU CA C 50 58.581 58.581 56.908 1.673 18250 6050 1 7 . 1 1 50 50 LEU CB C 50 42.279 42.279 39.747 2.532 18250 6051 1 7 . 1 1 50 50 LEU H H 50 8.491 8.491 8.530 -0.039 18250 6052 1 7 . 1 1 51 51 ARG N N 51 118.934 118.934 120.568 -1.634 18250 6053 1 7 . 1 1 51 51 ARG HA H 51 3.772 3.772 4.269 -0.497 18250 6054 1 7 . 1 1 51 51 ARG C C 51 178.618 178.618 178.895 -0.277 18250 6055 1 7 . 1 1 51 51 ARG CA C 51 60.954 60.954 59.878 1.076 18250 6056 1 7 . 1 1 51 51 ARG CB C 51 30.888 30.888 30.116 0.772 18250 6057 1 7 . 1 1 51 51 ARG H H 51 8.170 8.170 7.849 0.321 18250 6058 1 7 . 1 1 52 52 GLU N N 52 116.532 116.532 118.434 -1.902 18250 6059 1 7 . 1 1 52 52 GLU HA H 52 4.156 4.156 4.201 -0.045 18250 6060 1 7 . 1 1 52 52 GLU C C 52 179.937 179.937 178.524 1.413 18250 6061 1 7 . 1 1 52 52 GLU CA C 52 59.383 59.383 58.595 0.788 18250 6062 1 7 . 1 1 52 52 GLU CB C 52 29.640 29.640 29.527 0.113 18250 6063 1 7 . 1 1 52 52 GLU H H 52 7.914 7.914 7.828 0.086 18250 6064 1 7 . 1 1 53 53 ALA N N 53 123.226 123.226 122.977 0.249 18250 6065 1 7 . 1 1 53 53 ALA HA H 53 4.473 4.473 3.451 1.022 18250 6066 1 7 . 1 1 53 53 ALA C C 53 181.683 181.683 179.139 2.544 18250 6067 1 7 . 1 1 53 53 ALA CA C 53 55.114 55.114 54.760 0.354 18250 6068 1 7 . 1 1 53 53 ALA CB C 53 19.476 19.476 17.931 1.545 18250 6069 1 7 . 1 1 53 53 ALA H H 53 8.902 8.902 8.152 0.750 18250 6070 1 7 . 1 1 54 54 GLY N N 54 108.711 108.711 105.509 3.202 18250 6071 1 7 . 1 1 54 54 GLY C C 54 175.330 175.330 175.869 -0.539 18250 6072 1 7 . 1 1 54 54 GLY CA C 54 47.111 47.111 47.010 0.101 18250 6073 1 7 . 1 1 54 54 GLY H H 54 9.186 9.186 8.696 0.490 18250 6074 1 7 . 1 1 55 55 ASP N N 55 122.891 122.891 121.292 1.599 18250 6075 1 7 . 1 1 55 55 ASP C C 55 179.023 179.023 177.934 1.089 18250 6076 1 7 . 1 1 55 55 ASP CA C 55 57.752 57.752 56.921 0.831 18250 6077 1 7 . 1 1 55 55 ASP CB C 55 39.839 39.839 41.252 -1.413 18250 6078 1 7 . 1 1 55 55 ASP H H 55 8.224 8.224 7.522 0.702 18250 6079 1 7 . 1 1 56 56 GLU N N 56 120.753 120.753 120.992 -0.239 18250 6080 1 7 . 1 1 56 56 GLU HA H 56 4.180 4.180 4.094 0.086 18250 6081 1 7 . 1 1 56 56 GLU C C 56 178.472 178.472 178.668 -0.196 18250 6082 1 7 . 1 1 56 56 GLU CA C 56 59.600 59.600 59.278 0.322 18250 6083 1 7 . 1 1 56 56 GLU CB C 56 29.782 29.782 29.706 0.076 18250 6084 1 7 . 1 1 56 56 GLU H H 56 8.282 8.282 8.178 0.104 18250 6085 1 7 . 1 1 57 57 PHE N N 57 121.604 121.604 119.678 1.926 18250 6086 1 7 . 1 1 57 57 PHE HA H 57 4.341 4.341 4.242 0.099 18250 6087 1 7 . 1 1 57 57 PHE C C 57 177.008 177.008 177.549 -0.541 18250 6088 1 7 . 1 1 57 57 PHE CA C 57 61.915 61.915 62.191 -0.276 18250 6089 1 7 . 1 1 57 57 PHE CB C 57 40.025 40.025 39.578 0.447 18250 6090 1 7 . 1 1 57 57 PHE H H 57 8.671 8.671 8.973 -0.302 18250 6091 1 7 . 1 1 58 58 GLU N N 58 116.765 116.765 119.073 -2.308 18250 6092 1 7 . 1 1 58 58 GLU HA H 58 3.667 3.667 3.960 -0.293 18250 6093 1 7 . 1 1 58 58 GLU C C 58 177.661 177.661 177.708 -0.047 18250 6094 1 7 . 1 1 58 58 GLU CA C 58 58.795 58.795 58.715 0.080 18250 6095 1 7 . 1 1 58 58 GLU CB C 58 29.783 29.783 29.632 0.151 18250 6096 1 7 . 1 1 58 58 GLU H H 58 8.136 8.136 7.732 0.404 18250 6097 1 7 . 1 1 59 59 LEU N N 59 117.344 117.344 118.722 -1.378 18250 6098 1 7 . 1 1 59 59 LEU HA H 59 4.201 4.201 4.118 0.083 18250 6099 1 7 . 1 1 59 59 LEU C C 59 178.953 178.953 179.033 -0.080 18250 6100 1 7 . 1 1 59 59 LEU CA C 59 56.973 56.973 57.068 -0.095 18250 6101 1 7 . 1 1 59 59 LEU CB C 59 42.976 42.976 41.975 1.001 18250 6102 1 7 . 1 1 59 59 LEU H H 59 7.513 7.513 7.772 -0.259 18250 6103 1 7 . 1 1 60 60 ARG N N 60 117.779 117.779 118.759 -0.980 18250 6104 1 7 . 1 1 60 60 ARG HA H 60 3.957 3.957 3.983 -0.026 18250 6105 1 7 . 1 1 60 60 ARG C C 60 177.342 177.342 177.116 0.226 18250 6106 1 7 . 1 1 60 60 ARG CA C 60 57.901 57.901 57.604 0.297 18250 6107 1 7 . 1 1 60 60 ARG CB C 60 31.153 31.153 30.852 0.300 18250 6108 1 7 . 1 1 60 60 ARG H H 60 8.072 8.072 7.866 0.206 18250 6109 1 7 . 1 1 61 61 TYR N N 61 119.056 119.056 116.441 2.615 18250 6110 1 7 . 1 1 61 61 TYR HA H 61 4.744 4.744 4.751 -0.007 18250 6111 1 7 . 1 1 61 61 TYR C C 61 175.214 175.214 174.873 0.341 18250 6112 1 7 . 1 1 61 61 TYR CA C 61 56.294 56.294 55.441 0.853 18250 6113 1 7 . 1 1 61 61 TYR CB C 61 37.024 37.024 37.455 -0.431 18250 6114 1 7 . 1 1 61 61 TYR H H 61 8.050 8.050 7.961 0.089 18250 6115 1 7 . 1 1 62 62 ARG N N 62 119.956 119.956 123.780 -3.824 18250 6116 1 7 . 1 1 62 62 ARG HA H 62 4.058 4.058 4.019 0.039 18250 6117 1 7 . 1 1 62 62 ARG C C 62 178.183 178.183 177.529 0.654 18250 6118 1 7 . 1 1 62 62 ARG CA C 62 59.025 59.025 60.787 -1.762 18250 6119 1 7 . 1 1 62 62 ARG CB C 62 30.139 30.139 30.547 -0.408 18250 6120 1 7 . 1 1 62 62 ARG H H 62 7.419 7.419 8.600 -1.181 18250 6121 1 7 . 1 1 63 63 ARG HA H 63 4.222 4.222 4.151 0.071 18250 6122 1 7 . 1 1 63 63 ARG C C 63 177.387 177.387 177.884 -0.497 18250 6123 1 7 . 1 1 63 63 ARG CA C 63 57.730 57.730 59.393 -1.663 18250 6124 1 7 . 1 1 63 63 ARG CB C 63 29.179 29.179 29.309 -0.130 18250 6125 1 7 . 1 1 64 64 ALA N N 64 122.003 122.003 121.789 0.214 18250 6126 1 7 . 1 1 64 64 ALA HA H 64 4.100 4.100 4.200 -0.101 18250 6127 1 7 . 1 1 64 64 ALA C C 64 179.975 179.975 179.684 0.291 18250 6128 1 7 . 1 1 64 64 ALA CA C 64 54.579 54.579 54.770 -0.191 18250 6129 1 7 . 1 1 64 64 ALA CB C 64 18.636 18.636 18.220 0.416 18250 6130 1 7 . 1 1 64 64 ALA H H 64 7.868 7.868 7.935 -0.067 18250 6131 1 7 . 1 1 65 65 PHE N N 65 115.858 115.858 119.930 -4.072 18250 6132 1 7 . 1 1 65 65 PHE HA H 65 4.800 4.800 4.555 0.245 18250 6133 1 7 . 1 1 65 65 PHE C C 65 177.376 177.376 177.976 -0.600 18250 6134 1 7 . 1 1 65 65 PHE CA C 65 58.222 58.222 61.502 -3.280 18250 6135 1 7 . 1 1 65 65 PHE CB C 65 38.877 38.877 39.444 -0.567 18250 6136 1 7 . 1 1 65 65 PHE H H 65 8.579 8.579 8.661 -0.082 18250 6137 1 7 . 1 1 66 66 SER N N 66 116.942 116.942 115.321 1.621 18250 6138 1 7 . 1 1 66 66 SER HA H 66 4.223 4.223 4.186 0.037 18250 6139 1 7 . 1 1 66 66 SER C C 66 176.472 176.472 176.618 -0.146 18250 6140 1 7 . 1 1 66 66 SER CA C 66 61.764 61.764 61.771 -0.007 18250 6141 1 7 . 1 1 66 66 SER CB C 66 63.012 63.012 62.519 0.493 18250 6142 1 7 . 1 1 66 66 SER H H 66 8.232 8.232 8.753 -0.521 18250 6143 1 7 . 1 1 67 67 ASP N N 67 121.623 121.623 122.676 -1.053 18250 6144 1 7 . 1 1 67 67 ASP HA H 67 4.487 4.487 4.456 0.031 18250 6145 1 7 . 1 1 67 67 ASP C C 67 178.404 178.404 178.364 0.040 18250 6146 1 7 . 1 1 67 67 ASP CA C 67 56.827 56.827 56.990 -0.163 18250 6147 1 7 . 1 1 67 67 ASP CB C 67 40.176 40.176 41.206 -1.030 18250 6148 1 7 . 1 1 67 67 ASP H H 67 8.476 8.476 7.725 0.751 18250 6149 1 7 . 1 1 68 68 LEU N N 68 121.200 121.200 119.644 1.556 18250 6150 1 7 . 1 1 68 68 LEU HA H 68 4.104 4.104 3.963 0.141 18250 6151 1 7 . 1 1 68 68 LEU C C 68 179.046 179.046 179.015 0.031 18250 6152 1 7 . 1 1 68 68 LEU CA C 68 57.972 57.972 57.293 0.679 18250 6153 1 7 . 1 1 68 68 LEU CB C 68 42.555 42.555 42.069 0.485 18250 6154 1 7 . 1 1 68 68 LEU H H 68 7.889 7.889 8.616 -0.727 18250 6155 1 7 . 1 1 69 69 THR N N 69 110.282 110.282 110.709 -0.427 18250 6156 1 7 . 1 1 69 69 THR HA H 69 4.086 4.086 3.523 0.563 18250 6157 1 7 . 1 1 69 69 THR C C 69 177.457 177.457 176.050 1.407 18250 6158 1 7 . 1 1 69 69 THR CA C 69 65.839 65.839 65.696 0.143 18250 6159 1 7 . 1 1 69 69 THR CB C 69 68.442 68.442 67.957 0.485 18250 6160 1 7 . 1 1 69 69 THR H H 69 8.493 8.493 8.122 0.371 18250 6161 1 7 . 1 1 70 70 SER N N 70 116.582 116.582 115.860 0.722 18250 6162 1 7 . 1 1 70 70 SER HA H 70 4.330 4.330 4.233 0.097 18250 6163 1 7 . 1 1 70 70 SER C C 70 175.607 175.607 176.923 -1.316 18250 6164 1 7 . 1 1 70 70 SER CA C 70 60.676 60.676 60.626 0.050 18250 6165 1 7 . 1 1 70 70 SER CB C 70 63.301 63.301 62.844 0.457 18250 6166 1 7 . 1 1 70 70 SER H H 70 7.754 7.754 7.475 0.279 18250 6167 1 7 . 1 1 71 71 GLN N N 71 119.129 119.129 121.648 -2.519 18250 6168 1 7 . 1 1 71 71 GLN HA H 71 4.108 4.108 4.107 0.001 18250 6169 1 7 . 1 1 71 71 GLN C C 71 176.338 176.338 177.130 -0.792 18250 6170 1 7 . 1 1 71 71 GLN CA C 71 57.407 57.407 57.940 -0.533 18250 6171 1 7 . 1 1 71 71 GLN CB C 71 29.533 29.533 28.671 0.862 18250 6172 1 7 . 1 1 71 71 GLN H H 71 7.754 7.754 7.373 0.381 18250 6173 1 7 . 1 1 72 72 LEU N N 72 118.804 118.804 118.642 0.162 18250 6174 1 7 . 1 1 72 72 LEU HA H 72 4.312 4.312 4.309 0.003 18250 6175 1 7 . 1 1 72 72 LEU C C 72 174.285 174.285 175.604 -1.319 18250 6176 1 7 . 1 1 72 72 LEU CA C 72 55.437 55.437 53.363 2.074 18250 6177 1 7 . 1 1 72 72 LEU CB C 72 43.888 43.888 42.153 1.735 18250 6178 1 7 . 1 1 72 72 LEU H H 72 7.577 7.577 7.149 0.428 18250 6179 1 7 . 1 1 73 73 HIS HA H 73 4.644 4.644 4.381 0.263 18250 6180 1 7 . 1 1 73 73 HIS C C 73 174.452 174.452 175.316 -0.864 18250 6181 1 7 . 1 1 73 73 HIS CA C 73 54.964 54.964 56.990 -2.026 18250 6182 1 7 . 1 1 73 73 HIS CB C 73 28.747 28.747 29.757 -1.010 18250 6183 1 7 . 1 1 74 74 ILE N N 74 122.470 122.470 129.649 -7.179 18250 6184 1 7 . 1 1 74 74 ILE HA H 74 4.207 4.207 4.081 0.126 18250 6185 1 7 . 1 1 74 74 ILE CA C 74 61.962 61.962 61.464 0.498 18250 6186 1 7 . 1 1 74 74 ILE CB C 74 38.952 38.952 38.186 0.766 18250 6187 1 7 . 1 1 74 74 ILE H H 74 8.767 8.767 8.555 0.212 18250 6188 1 7 . 1 1 75 75 THR N N 75 120.535 120.535 125.297 -4.762 18250 6189 1 7 . 1 1 75 75 THR HA H 75 4.325 4.325 4.554 -0.229 18250 6190 1 7 . 1 1 75 75 THR H H 75 7.953 7.953 7.964 -0.011 18250 6191 1 7 . 1 1 77 77 GLY CA C 77 44.791 44.791 45.190 -0.399 18250 6192 1 7 . 1 1 78 78 THR N N 78 130.040 130.040 114.676 15.364 18250 6193 1 7 . 1 1 78 78 THR HA H 78 4.147 4.147 4.503 -0.356 18250 6194 1 7 . 1 1 78 78 THR H H 78 8.795 8.795 7.937 0.858 18250 6195 1 7 . 1 1 79 79 ALA HA H 79 4.827 4.827 4.434 0.393 18250 6196 1 7 . 1 1 79 79 ALA C C 79 177.644 177.644 176.522 1.122 18250 6197 1 7 . 1 1 79 79 ALA CA C 79 51.117 51.117 51.328 -0.211 18250 6198 1 7 . 1 1 79 79 ALA CB C 79 21.518 21.518 20.448 1.070 18250 6199 1 7 . 1 1 80 80 TYR N N 80 121.374 121.374 120.446 0.928 18250 6200 1 7 . 1 1 80 80 TYR HA H 80 4.648 4.648 3.284 1.364 18250 6201 1 7 . 1 1 80 80 TYR C C 80 176.560 176.560 176.835 -0.275 18250 6202 1 7 . 1 1 80 80 TYR CA C 80 60.846 60.846 60.777 0.069 18250 6203 1 7 . 1 1 80 80 TYR CB C 80 38.165 38.165 38.297 -0.132 18250 6204 1 7 . 1 1 80 80 TYR H H 80 8.858 8.858 8.225 0.633 18250 6205 1 7 . 1 1 81 81 GLN N N 81 115.124 115.124 118.501 -3.377 18250 6206 1 7 . 1 1 81 81 GLN HA H 81 3.802 3.802 3.669 0.133 18250 6207 1 7 . 1 1 81 81 GLN C C 81 178.330 178.330 177.799 0.531 18250 6208 1 7 . 1 1 81 81 GLN CA C 81 59.911 59.911 59.670 0.241 18250 6209 1 7 . 1 1 81 81 GLN CB C 81 28.016 28.016 28.085 -0.069 18250 6210 1 7 . 1 1 81 81 GLN H H 81 8.532 8.532 8.572 -0.040 18250 6211 1 7 . 1 1 82 82 SER N N 82 114.423 114.423 114.825 -0.402 18250 6212 1 7 . 1 1 82 82 SER HA H 82 4.253 4.253 4.085 0.168 18250 6213 1 7 . 1 1 82 82 SER CA C 82 62.089 62.089 61.273 0.816 18250 6214 1 7 . 1 1 82 82 SER CB C 82 63.338 63.338 62.483 0.855 18250 6215 1 7 . 1 1 82 82 SER H H 82 7.356 7.356 7.557 -0.201 18250 6216 1 7 . 1 1 83 83 PHE HA H 83 3.937 3.937 4.056 -0.119 18250 6217 1 7 . 1 1 83 83 PHE C C 83 175.136 175.136 176.558 -1.422 18250 6218 1 7 . 1 1 83 83 PHE CA C 83 61.335 61.335 60.992 0.343 18250 6219 1 7 . 1 1 83 83 PHE CB C 83 39.433 39.433 39.293 0.140 18250 6220 1 7 . 1 1 84 84 GLU N N 84 119.917 119.917 119.068 0.849 18250 6221 1 7 . 1 1 84 84 GLU HA H 84 3.331 3.331 3.642 -0.311 18250 6222 1 7 . 1 1 84 84 GLU C C 84 177.012 177.012 178.760 -1.748 18250 6223 1 7 . 1 1 84 84 GLU CA C 84 59.146 59.146 59.291 -0.145 18250 6224 1 7 . 1 1 84 84 GLU CB C 84 30.460 30.460 29.047 1.413 18250 6225 1 7 . 1 1 84 84 GLU H H 84 8.659 8.659 8.373 0.286 18250 6226 1 7 . 1 1 85 85 GLN N N 85 115.027 115.027 116.485 -1.458 18250 6227 1 7 . 1 1 85 85 GLN HA H 85 3.888 3.888 4.000 -0.112 18250 6228 1 7 . 1 1 85 85 GLN C C 85 178.571 178.571 177.492 1.079 18250 6229 1 7 . 1 1 85 85 GLN CA C 85 59.103 59.103 57.963 1.140 18250 6230 1 7 . 1 1 85 85 GLN CB C 85 28.586 28.586 28.290 0.296 18250 6231 1 7 . 1 1 85 85 GLN H H 85 7.592 7.592 7.724 -0.132 18250 6232 1 7 . 1 1 86 86 VAL N N 86 118.481 118.481 116.066 2.415 18250 6233 1 7 . 1 1 86 86 VAL HA H 86 3.644 3.644 3.837 -0.193 18250 6234 1 7 . 1 1 86 86 VAL C C 86 177.898 177.898 178.086 -0.188 18250 6235 1 7 . 1 1 86 86 VAL CA C 86 66.100 66.100 64.240 1.859 18250 6236 1 7 . 1 1 86 86 VAL CB C 86 31.799 31.799 32.232 -0.433 18250 6237 1 7 . 1 1 86 86 VAL H H 86 7.164 7.164 7.184 -0.020 18250 6238 1 7 . 1 1 87 87 VAL N N 87 119.825 119.825 117.648 2.177 18250 6239 1 7 . 1 1 87 87 VAL HA H 87 3.028 3.028 3.585 -0.557 18250 6240 1 7 . 1 1 87 87 VAL C C 87 177.853 177.853 177.783 0.070 18250 6241 1 7 . 1 1 87 87 VAL CA C 87 66.394 66.394 65.605 0.789 18250 6242 1 7 . 1 1 87 87 VAL CB C 87 31.044 31.044 30.876 0.168 18250 6243 1 7 . 1 1 87 87 VAL H H 87 7.980 7.980 7.654 0.326 18250 6244 1 7 . 1 1 88 88 ASN N N 88 117.625 117.625 119.153 -1.528 18250 6245 1 7 . 1 1 88 88 ASN HA H 88 4.283 4.283 4.637 -0.354 18250 6246 1 7 . 1 1 88 88 ASN C C 88 178.987 178.987 176.782 2.205 18250 6247 1 7 . 1 1 88 88 ASN CA C 88 55.449 55.449 54.948 0.501 18250 6248 1 7 . 1 1 88 88 ASN CB C 88 37.329 37.329 38.330 -1.001 18250 6249 1 7 . 1 1 88 88 ASN H H 88 8.437 8.437 8.298 0.139 18250 6250 1 7 . 1 1 89 89 GLU N N 89 118.940 118.940 119.606 -0.666 18250 6251 1 7 . 1 1 89 89 GLU HA H 89 4.001 4.001 4.155 -0.154 18250 6252 1 7 . 1 1 89 89 GLU C C 89 179.305 179.305 178.686 0.619 18250 6253 1 7 . 1 1 89 89 GLU CA C 89 59.016 59.016 58.045 0.971 18250 6254 1 7 . 1 1 89 89 GLU CB C 89 29.120 29.120 29.199 -0.079 18250 6255 1 7 . 1 1 89 89 GLU H H 89 7.377 7.377 7.967 -0.590 18250 6256 1 7 . 1 1 90 90 LEU N N 90 120.797 120.797 120.156 0.641 18250 6257 1 7 . 1 1 90 90 LEU HA H 90 3.821 3.821 3.991 -0.170 18250 6258 1 7 . 1 1 90 90 LEU C C 90 178.249 178.249 178.388 -0.139 18250 6259 1 7 . 1 1 90 90 LEU CA C 90 57.491 57.491 57.423 0.068 18250 6260 1 7 . 1 1 90 90 LEU CB C 90 41.502 41.502 41.648 -0.146 18250 6261 1 7 . 1 1 90 90 LEU H H 90 7.608 7.608 7.493 0.115 18250 6262 1 7 . 1 1 91 91 PHE N N 91 113.366 113.366 119.340 -5.974 18250 6263 1 7 . 1 1 91 91 PHE HA H 91 4.532 4.532 4.067 0.465 18250 6264 1 7 . 1 1 91 91 PHE C C 91 176.475 176.475 177.803 -1.328 18250 6265 1 7 . 1 1 91 91 PHE CA C 91 57.504 57.504 61.377 -3.873 18250 6266 1 7 . 1 1 91 91 PHE CB C 91 39.470 39.470 39.282 0.188 18250 6267 1 7 . 1 1 91 91 PHE H H 91 7.024 7.024 7.677 -0.653 18250 6268 1 7 . 1 1 92 92 ARG N N 92 123.994 123.994 120.142 3.852 18250 6269 1 7 . 1 1 92 92 ARG HA H 92 3.965 3.965 4.167 -0.202 18250 6270 1 7 . 1 1 92 92 ARG C C 92 177.152 177.152 176.871 0.281 18250 6271 1 7 . 1 1 92 92 ARG CA C 92 59.743 59.743 57.711 2.032 18250 6272 1 7 . 1 1 92 92 ARG CB C 92 30.171 30.171 29.909 0.262 18250 6273 1 7 . 1 1 92 92 ARG H H 92 7.237 7.237 8.110 -0.873 18250 6274 1 7 . 1 1 93 93 ASP N N 93 116.866 116.866 117.880 -1.014 18250 6275 1 7 . 1 1 93 93 ASP HA H 93 4.823 4.823 4.602 0.221 18250 6276 1 7 . 1 1 93 93 ASP C C 93 175.589 175.589 176.569 -0.980 18250 6277 1 7 . 1 1 93 93 ASP CA C 93 54.068 54.068 53.719 0.349 18250 6278 1 7 . 1 1 93 93 ASP CB C 93 40.755 40.755 40.898 -0.143 18250 6279 1 7 . 1 1 93 93 ASP H H 93 8.711 8.711 7.567 1.144 18250 6280 1 7 . 1 1 94 94 GLY N N 94 108.978 108.978 107.881 1.097 18250 6281 1 7 . 1 1 94 94 GLY C C 94 172.635 172.635 174.217 -1.582 18250 6282 1 7 . 1 1 94 94 GLY CA C 94 43.818 43.818 44.844 -1.026 18250 6283 1 7 . 1 1 94 94 GLY H H 94 7.582 7.582 7.489 0.093 18250 6284 1 7 . 1 1 95 95 VAL N N 95 120.777 120.777 118.406 2.371 18250 6285 1 7 . 1 1 95 95 VAL HA H 95 3.545 3.545 3.366 0.179 18250 6286 1 7 . 1 1 95 95 VAL C C 95 174.452 174.452 174.540 -0.088 18250 6287 1 7 . 1 1 95 95 VAL CA C 95 62.875 62.875 63.128 -0.253 18250 6288 1 7 . 1 1 95 95 VAL CB C 95 32.148 32.148 31.402 0.746 18250 6289 1 7 . 1 1 95 95 VAL H H 95 8.293 8.293 7.183 1.110 18250 6290 1 7 . 1 1 96 96 ASN N N 96 116.198 116.198 125.108 -8.910 18250 6291 1 7 . 1 1 96 96 ASN HA H 96 4.070 4.070 4.246 -0.176 18250 6292 1 7 . 1 1 96 96 ASN C C 96 175.243 175.243 175.131 0.112 18250 6293 1 7 . 1 1 96 96 ASN CA C 96 51.784 51.784 50.918 0.866 18250 6294 1 7 . 1 1 96 96 ASN CB C 96 39.849 39.849 39.542 0.307 18250 6295 1 7 . 1 1 96 96 ASN H H 96 6.401 6.401 7.650 -1.249 18250 6296 1 7 . 1 1 97 97 TRP N N 97 118.776 118.776 119.708 -0.932 18250 6297 1 7 . 1 1 97 97 TRP HA H 97 4.588 4.588 4.529 0.059 18250 6298 1 7 . 1 1 97 97 TRP C C 97 178.207 178.207 178.704 -0.497 18250 6299 1 7 . 1 1 97 97 TRP CA C 97 61.083 61.083 60.069 1.014 18250 6300 1 7 . 1 1 97 97 TRP CB C 97 30.676 30.676 29.535 1.141 18250 6301 1 7 . 1 1 97 97 TRP H H 97 8.530 8.530 8.737 -0.207 18250 6302 1 7 . 1 1 98 98 GLY N N 98 106.573 106.573 108.532 -1.959 18250 6303 1 7 . 1 1 98 98 GLY C C 98 177.485 177.485 176.233 1.252 18250 6304 1 7 . 1 1 98 98 GLY CA C 98 47.505 47.505 46.873 0.632 18250 6305 1 7 . 1 1 98 98 GLY H H 98 8.634 8.634 8.772 -0.138 18250 6306 1 7 . 1 1 99 99 ARG N N 99 121.627 121.627 122.320 -0.693 18250 6307 1 7 . 1 1 99 99 ARG HA H 99 3.999 3.999 4.100 -0.101 18250 6308 1 7 . 1 1 99 99 ARG C C 99 177.693 177.693 178.671 -0.978 18250 6309 1 7 . 1 1 99 99 ARG CA C 99 58.487 58.487 57.770 0.717 18250 6310 1 7 . 1 1 99 99 ARG CB C 99 31.363 31.363 29.504 1.859 18250 6311 1 7 . 1 1 99 99 ARG H H 99 8.214 8.214 8.152 0.062 18250 6312 1 7 . 1 1 100 100 ILE N N 100 121.379 121.379 120.648 0.731 18250 6313 1 7 . 1 1 100 100 ILE HA H 100 3.986 3.986 3.888 0.098 18250 6314 1 7 . 1 1 100 100 ILE C C 100 178.143 178.143 177.878 0.265 18250 6315 1 7 . 1 1 100 100 ILE CA C 100 67.148 67.148 65.290 1.858 18250 6316 1 7 . 1 1 100 100 ILE CB C 100 37.099 37.099 37.716 -0.617 18250 6317 1 7 . 1 1 100 100 ILE H H 100 7.810 7.810 7.385 0.425 18250 6318 1 7 . 1 1 101 101 VAL N N 101 121.444 121.444 120.250 1.194 18250 6319 1 7 . 1 1 101 101 VAL HA H 101 3.458 3.458 3.494 -0.036 18250 6320 1 7 . 1 1 101 101 VAL C C 101 177.752 177.752 178.107 -0.355 18250 6321 1 7 . 1 1 101 101 VAL CA C 101 68.165 68.165 66.933 1.232 18250 6322 1 7 . 1 1 101 101 VAL CB C 101 31.423 31.423 31.368 0.055 18250 6323 1 7 . 1 1 101 101 VAL H H 101 8.378 8.378 7.814 0.564 18250 6324 1 7 . 1 1 102 102 ALA N N 102 121.864 121.864 122.422 -0.558 18250 6325 1 7 . 1 1 102 102 ALA HA H 102 3.174 3.174 3.328 -0.154 18250 6326 1 7 . 1 1 102 102 ALA C C 102 178.223 178.223 178.566 -0.343 18250 6327 1 7 . 1 1 102 102 ALA CA C 102 55.256 55.256 54.506 0.750 18250 6328 1 7 . 1 1 102 102 ALA CB C 102 18.631 18.631 17.428 1.203 18250 6329 1 7 . 1 1 102 102 ALA H H 102 7.693 7.693 7.889 -0.196 18250 6330 1 7 . 1 1 103 103 PHE N N 103 119.560 119.560 119.281 0.279 18250 6331 1 7 . 1 1 103 103 PHE HA H 103 3.986 3.986 3.993 -0.007 18250 6332 1 7 . 1 1 103 103 PHE C C 103 176.264 176.264 177.339 -1.075 18250 6333 1 7 . 1 1 103 103 PHE CA C 103 60.811 60.811 61.519 -0.708 18250 6334 1 7 . 1 1 103 103 PHE CB C 103 38.585 38.585 39.126 -0.541 18250 6335 1 7 . 1 1 103 103 PHE H H 103 8.096 8.096 7.935 0.161 18250 6336 1 7 . 1 1 104 104 PHE N N 104 120.694 120.694 116.583 4.111 18250 6337 1 7 . 1 1 104 104 PHE HA H 104 3.347 3.347 4.248 -0.901 18250 6338 1 7 . 1 1 104 104 PHE C C 104 177.604 177.604 177.826 -0.222 18250 6339 1 7 . 1 1 104 104 PHE CA C 104 62.995 62.995 60.529 2.466 18250 6340 1 7 . 1 1 104 104 PHE CB C 104 36.626 36.626 38.692 -2.066 18250 6341 1 7 . 1 1 104 104 PHE H H 104 8.087 8.087 8.224 -0.137 18250 6342 1 7 . 1 1 105 105 SER N N 105 114.775 114.775 116.527 -1.752 18250 6343 1 7 . 1 1 105 105 SER HA H 105 4.444 4.444 4.400 0.044 18250 6344 1 7 . 1 1 105 105 SER C C 105 177.605 177.605 176.705 0.900 18250 6345 1 7 . 1 1 105 105 SER CA C 105 63.767 63.767 62.279 1.488 18250 6346 1 7 . 1 1 105 105 SER CB C 105 63.409 63.409 63.033 0.376 18250 6347 1 7 . 1 1 105 105 SER H H 105 8.514 8.514 8.503 0.011 18250 6348 1 7 . 1 1 106 106 PHE N N 106 124.632 124.632 121.507 3.125 18250 6349 1 7 . 1 1 106 106 PHE HA H 106 4.071 4.071 4.336 -0.265 18250 6350 1 7 . 1 1 106 106 PHE C C 106 176.639 176.639 178.361 -1.722 18250 6351 1 7 . 1 1 106 106 PHE CA C 106 60.185 60.185 59.547 0.638 18250 6352 1 7 . 1 1 106 106 PHE CB C 106 38.639 38.639 37.840 0.799 18250 6353 1 7 . 1 1 106 106 PHE H H 106 9.146 9.146 8.440 0.706 18250 6354 1 7 . 1 1 107 107 GLY N N 107 106.495 106.495 106.896 -0.401 18250 6355 1 7 . 1 1 107 107 GLY C C 107 176.647 176.647 176.812 -0.165 18250 6356 1 7 . 1 1 107 107 GLY CA C 107 47.998 47.998 47.102 0.896 18250 6357 1 7 . 1 1 107 107 GLY H H 107 8.063 8.063 7.909 0.154 18250 6358 1 7 . 1 1 108 108 GLY N N 108 107.786 107.786 109.226 -1.440 18250 6359 1 7 . 1 1 108 108 GLY C C 108 174.589 174.589 174.716 -0.127 18250 6360 1 7 . 1 1 108 108 GLY CA C 108 47.931 47.931 46.392 1.539 18250 6361 1 7 . 1 1 108 108 GLY H H 108 8.900 8.900 7.984 0.916 18250 6362 1 7 . 1 1 109 109 ALA N N 109 124.959 124.959 123.419 1.540 18250 6363 1 7 . 1 1 109 109 ALA HA H 109 4.216 4.216 4.389 -0.173 18250 6364 1 7 . 1 1 109 109 ALA C C 109 181.113 181.113 178.952 2.161 18250 6365 1 7 . 1 1 109 109 ALA CA C 109 55.098 55.098 54.087 1.011 18250 6366 1 7 . 1 1 109 109 ALA CB C 109 18.418 18.418 19.590 -1.172 18250 6367 1 7 . 1 1 109 109 ALA H H 109 8.343 8.343 7.717 0.626 18250 6368 1 7 . 1 1 110 110 LEU N N 110 119.336 119.336 119.973 -0.637 18250 6369 1 7 . 1 1 110 110 LEU HA H 110 4.017 4.017 3.935 0.082 18250 6370 1 7 . 1 1 110 110 LEU C C 110 180.100 180.100 179.189 0.911 18250 6371 1 7 . 1 1 110 110 LEU CA C 110 57.400 57.400 58.307 -0.907 18250 6372 1 7 . 1 1 110 110 LEU CB C 110 42.562 42.562 41.810 0.752 18250 6373 1 7 . 1 1 110 110 LEU H H 110 8.296 8.296 8.639 -0.343 18250 6374 1 7 . 1 1 111 111 CYS N N 111 119.466 119.466 116.225 3.241 18250 6375 1 7 . 1 1 111 111 CYS HA H 111 3.818 3.818 4.215 -0.397 18250 6376 1 7 . 1 1 111 111 CYS C C 111 175.954 175.954 176.947 -0.993 18250 6377 1 7 . 1 1 111 111 CYS CA C 111 64.665 64.665 61.948 2.717 18250 6378 1 7 . 1 1 111 111 CYS CB C 111 26.724 26.724 26.516 0.208 18250 6379 1 7 . 1 1 111 111 CYS H H 111 8.207 8.207 8.750 -0.543 18250 6380 1 7 . 1 1 112 112 VAL N N 112 119.086 119.086 122.508 -3.422 18250 6381 1 7 . 1 1 112 112 VAL HA H 112 3.379 3.379 3.804 -0.425 18250 6382 1 7 . 1 1 112 112 VAL C C 112 177.356 177.356 177.570 -0.214 18250 6383 1 7 . 1 1 112 112 VAL CA C 112 67.316 67.316 66.671 0.645 18250 6384 1 7 . 1 1 112 112 VAL CB C 112 31.944 31.944 32.071 -0.127 18250 6385 1 7 . 1 1 112 112 VAL H H 112 8.110 8.110 7.280 0.830 18250 6386 1 7 . 1 1 113 113 GLU N N 113 119.448 119.448 119.673 -0.225 18250 6387 1 7 . 1 1 113 113 GLU HA H 113 4.094 4.094 3.989 0.105 18250 6388 1 7 . 1 1 113 113 GLU C C 113 178.264 178.264 179.224 -0.960 18250 6389 1 7 . 1 1 113 113 GLU CA C 113 59.336 59.336 59.697 -0.361 18250 6390 1 7 . 1 1 113 113 GLU CB C 113 29.326 29.326 29.085 0.240 18250 6391 1 7 . 1 1 113 113 GLU H H 113 8.190 8.190 8.642 -0.452 18250 6392 1 7 . 1 1 114 114 SER N N 114 113.847 113.847 115.253 -1.406 18250 6393 1 7 . 1 1 114 114 SER HA H 114 3.886 3.886 4.199 -0.313 18250 6394 1 7 . 1 1 114 114 SER C C 114 175.485 175.485 176.273 -0.788 18250 6395 1 7 . 1 1 114 114 SER CA C 114 63.249 63.249 61.556 1.693 18250 6396 1 7 . 1 1 114 114 SER CB C 114 62.229 62.229 62.952 -0.723 18250 6397 1 7 . 1 1 114 114 SER H H 114 7.757 7.757 8.083 -0.326 18250 6398 1 7 . 1 1 115 115 VAL N N 115 121.093 121.093 123.483 -2.390 18250 6399 1 7 . 1 1 115 115 VAL HA H 115 3.201 3.201 3.522 -0.321 18250 6400 1 7 . 1 1 115 115 VAL C C 115 179.471 179.471 178.149 1.322 18250 6401 1 7 . 1 1 115 115 VAL CA C 115 66.746 66.746 66.073 0.673 18250 6402 1 7 . 1 1 115 115 VAL CB C 115 31.412 31.412 31.212 0.200 18250 6403 1 7 . 1 1 115 115 VAL H H 115 7.423 7.423 7.162 0.261 18250 6404 1 7 . 1 1 116 116 ASP N N 116 123.023 123.023 121.418 1.605 18250 6405 1 7 . 1 1 116 116 ASP HA H 116 4.398 4.398 4.413 -0.015 18250 6406 1 7 . 1 1 116 116 ASP C C 116 178.029 178.029 177.117 0.912 18250 6407 1 7 . 1 1 116 116 ASP CA C 116 57.471 57.471 56.734 0.737 18250 6408 1 7 . 1 1 116 116 ASP CB C 116 41.004 41.004 41.038 -0.034 18250 6409 1 7 . 1 1 116 116 ASP H H 116 8.365 8.365 8.079 0.286 18250 6410 1 7 . 1 1 117 117 LYS N N 117 116.212 116.212 117.724 -1.512 18250 6411 1 7 . 1 1 117 117 LYS HA H 117 4.384 4.384 4.266 0.118 18250 6412 1 7 . 1 1 117 117 LYS C C 117 175.049 175.049 175.534 -0.485 18250 6413 1 7 . 1 1 117 117 LYS CA C 117 55.685 55.685 56.111 -0.426 18250 6414 1 7 . 1 1 117 117 LYS CB C 117 32.317 32.317 32.215 0.102 18250 6415 1 7 . 1 1 117 117 LYS H H 117 7.698 7.698 7.410 0.288 18250 6416 1 7 . 1 1 118 118 GLU N N 118 114.271 114.271 117.071 -2.800 18250 6417 1 7 . 1 1 118 118 GLU HA H 118 3.973 3.973 3.883 0.090 18250 6418 1 7 . 1 1 118 118 GLU C C 118 176.065 176.065 175.914 0.151 18250 6419 1 7 . 1 1 118 118 GLU CA C 118 57.766 57.766 57.824 -0.058 18250 6420 1 7 . 1 1 118 118 GLU CB C 118 26.540 26.540 28.573 -2.033 18250 6421 1 7 . 1 1 118 118 GLU H H 118 7.959 7.959 8.182 -0.223 18250 6422 1 7 . 1 1 119 119 MET N N 119 119.260 119.260 118.586 0.674 18250 6423 1 7 . 1 1 119 119 MET HA H 119 4.822 4.822 4.572 0.250 18250 6424 1 7 . 1 1 119 119 MET C C 119 176.817 176.817 176.221 0.596 18250 6425 1 7 . 1 1 119 119 MET CA C 119 53.675 53.675 54.373 -0.698 18250 6426 1 7 . 1 1 119 119 MET CB C 119 31.867 31.867 30.897 0.970 18250 6427 1 7 . 1 1 119 119 MET H H 119 8.542 8.542 8.336 0.206 18250 6428 1 7 . 1 1 120 120 GLN N N 120 119.766 119.766 120.353 -0.587 18250 6429 1 7 . 1 1 120 120 GLN HA H 120 3.489 3.489 3.800 -0.311 18250 6430 1 7 . 1 1 120 120 GLN C C 120 177.471 177.471 177.041 0.430 18250 6431 1 7 . 1 1 120 120 GLN CA C 120 60.166 60.166 58.237 1.929 18250 6432 1 7 . 1 1 120 120 GLN CB C 120 27.667 27.667 28.469 -0.802 18250 6433 1 7 . 1 1 120 120 GLN H H 120 8.796 8.796 7.830 0.966 18250 6434 1 7 . 1 1 121 121 VAL N N 121 117.292 117.292 112.042 5.250 18250 6435 1 7 . 1 1 121 121 VAL HA H 121 4.056 4.056 3.960 0.096 18250 6436 1 7 . 1 1 121 121 VAL C C 121 175.676 175.676 175.933 -0.257 18250 6437 1 7 . 1 1 121 121 VAL CA C 121 63.612 63.612 63.118 0.493 18250 6438 1 7 . 1 1 121 121 VAL CB C 121 31.494 31.494 31.688 -0.194 18250 6439 1 7 . 1 1 121 121 VAL H H 121 7.959 7.959 7.760 0.199 18250 6440 1 7 . 1 1 122 122 LEU N N 122 117.436 117.436 119.821 -2.385 18250 6441 1 7 . 1 1 122 122 LEU HA H 122 3.872 3.872 4.077 -0.205 18250 6442 1 7 . 1 1 122 122 LEU C C 122 177.962 177.962 178.459 -0.497 18250 6443 1 7 . 1 1 122 122 LEU CA C 122 55.528 55.528 57.090 -1.562 18250 6444 1 7 . 1 1 122 122 LEU CB C 122 41.369 41.369 41.869 -0.500 18250 6445 1 7 . 1 1 122 122 LEU H H 122 7.887 7.887 7.591 0.296 18250 6446 1 7 . 1 1 123 123 VAL N N 123 120.028 120.028 119.971 0.057 18250 6447 1 7 . 1 1 123 123 VAL HA H 123 3.379 3.379 3.560 -0.181 18250 6448 1 7 . 1 1 123 123 VAL C C 123 177.040 177.040 177.011 0.029 18250 6449 1 7 . 1 1 123 123 VAL CA C 123 67.817 67.817 65.710 2.107 18250 6450 1 7 . 1 1 123 123 VAL CB C 123 30.889 30.889 30.788 0.101 18250 6451 1 7 . 1 1 123 123 VAL H H 123 7.444 7.444 7.239 0.205 18250 6452 1 7 . 1 1 124 124 SER N N 124 111.168 111.168 114.224 -3.056 18250 6453 1 7 . 1 1 124 124 SER HA H 124 3.979 3.979 4.309 -0.330 18250 6454 1 7 . 1 1 124 124 SER C C 124 177.070 177.070 176.624 0.446 18250 6455 1 7 . 1 1 124 124 SER CA C 124 61.254 61.254 61.520 -0.266 18250 6456 1 7 . 1 1 124 124 SER CB C 124 62.403 62.403 62.818 -0.415 18250 6457 1 7 . 1 1 124 124 SER H H 124 8.394 8.394 8.222 0.172 18250 6458 1 7 . 1 1 125 125 ARG N N 125 123.526 123.526 122.269 1.257 18250 6459 1 7 . 1 1 125 125 ARG HA H 125 3.710 3.710 3.643 0.067 18250 6460 1 7 . 1 1 125 125 ARG C C 125 175.751 175.751 177.786 -2.035 18250 6461 1 7 . 1 1 125 125 ARG CA C 125 58.738 58.738 58.175 0.563 18250 6462 1 7 . 1 1 125 125 ARG CB C 125 29.845 29.845 29.222 0.623 18250 6463 1 7 . 1 1 125 125 ARG H H 125 6.696 6.696 7.173 -0.477 18250 6464 1 7 . 1 1 126 126 ILE N N 126 118.795 118.795 120.190 -1.395 18250 6465 1 7 . 1 1 126 126 ILE HA H 126 2.855 2.855 3.188 -0.333 18250 6466 1 7 . 1 1 126 126 ILE C C 126 177.974 177.974 177.332 0.642 18250 6467 1 7 . 1 1 126 126 ILE CA C 126 64.959 64.959 65.016 -0.057 18250 6468 1 7 . 1 1 126 126 ILE CB C 126 37.666 37.666 37.420 0.246 18250 6469 1 7 . 1 1 126 126 ILE H H 126 8.124 8.124 7.908 0.216 18250 6470 1 7 . 1 1 127 127 ALA N N 127 119.674 119.674 121.255 -1.581 18250 6471 1 7 . 1 1 127 127 ALA HA H 127 3.902 3.902 3.866 0.036 18250 6472 1 7 . 1 1 127 127 ALA C C 127 179.395 179.395 179.218 0.177 18250 6473 1 7 . 1 1 127 127 ALA CA C 127 55.287 55.287 55.025 0.262 18250 6474 1 7 . 1 1 127 127 ALA CB C 127 18.520 18.520 18.043 0.477 18250 6475 1 7 . 1 1 127 127 ALA H H 127 7.711 7.711 7.532 0.179 18250 6476 1 7 . 1 1 128 128 ALA N N 128 120.850 120.850 121.826 -0.976 18250 6477 1 7 . 1 1 128 128 ALA HA H 128 4.173 4.173 4.070 0.103 18250 6478 1 7 . 1 1 128 128 ALA C C 128 181.038 181.038 179.516 1.522 18250 6479 1 7 . 1 1 128 128 ALA CA C 128 55.261 55.261 54.902 0.359 18250 6480 1 7 . 1 1 128 128 ALA CB C 128 17.822 17.822 18.136 -0.314 18250 6481 1 7 . 1 1 128 128 ALA H H 128 7.356 7.356 7.628 -0.272 18250 6482 1 7 . 1 1 129 129 TRP N N 129 121.648 121.648 118.528 3.120 18250 6483 1 7 . 1 1 129 129 TRP C C 129 179.558 179.558 179.134 0.424 18250 6484 1 7 . 1 1 129 129 TRP CA C 129 57.788 57.788 59.494 -1.706 18250 6485 1 7 . 1 1 129 129 TRP CB C 129 28.918 28.918 28.379 0.539 18250 6486 1 7 . 1 1 129 129 TRP H H 129 9.087 9.087 8.164 0.923 18250 6487 1 7 . 1 1 130 130 MET N N 130 117.535 117.535 118.264 -0.729 18250 6488 1 7 . 1 1 130 130 MET HA H 130 4.345 4.345 4.556 -0.211 18250 6489 1 7 . 1 1 130 130 MET C C 130 178.170 178.170 178.731 -0.561 18250 6490 1 7 . 1 1 130 130 MET CA C 130 60.179 60.179 59.718 0.461 18250 6491 1 7 . 1 1 130 130 MET CB C 130 34.928 34.928 32.203 2.725 18250 6492 1 7 . 1 1 130 130 MET H H 130 9.031 9.031 8.460 0.571 18250 6493 1 7 . 1 1 131 131 ALA N N 131 120.973 120.973 122.273 -1.300 18250 6494 1 7 . 1 1 131 131 ALA HA H 131 4.100 4.100 4.176 -0.076 18250 6495 1 7 . 1 1 131 131 ALA C C 131 176.249 176.249 179.702 -3.453 18250 6496 1 7 . 1 1 131 131 ALA CA C 131 56.176 56.176 55.369 0.807 18250 6497 1 7 . 1 1 131 131 ALA CB C 131 17.634 17.634 18.202 -0.568 18250 6498 1 7 . 1 1 131 131 ALA H H 131 8.274 8.274 8.303 -0.029 18250 6499 1 7 . 1 1 132 132 THR N N 132 117.211 117.211 117.405 -0.194 18250 6500 1 7 . 1 1 132 132 THR HA H 132 3.959 3.959 4.021 -0.062 18250 6501 1 7 . 1 1 132 132 THR C C 132 175.035 175.035 176.353 -1.318 18250 6502 1 7 . 1 1 132 132 THR CA C 132 67.312 67.312 67.546 -0.234 18250 6503 1 7 . 1 1 132 132 THR CB C 132 69.177 69.177 68.656 0.521 18250 6504 1 7 . 1 1 132 132 THR H H 132 8.648 8.648 8.309 0.339 18250 6505 1 7 . 1 1 133 133 TYR N N 133 123.705 123.705 124.188 -0.483 18250 6506 1 7 . 1 1 133 133 TYR HA H 133 4.018 4.018 4.485 -0.467 18250 6507 1 7 . 1 1 133 133 TYR C C 133 179.551 179.551 178.018 1.533 18250 6508 1 7 . 1 1 133 133 TYR CA C 133 63.577 63.577 61.967 1.610 18250 6509 1 7 . 1 1 133 133 TYR CB C 133 39.312 39.312 38.705 0.607 18250 6510 1 7 . 1 1 133 133 TYR H H 133 8.964 8.964 8.579 0.385 18250 6511 1 7 . 1 1 134 134 LEU N N 134 119.671 119.671 120.539 -0.868 18250 6512 1 7 . 1 1 134 134 LEU HA H 134 3.832 3.832 3.922 -0.090 18250 6513 1 7 . 1 1 134 134 LEU C C 134 178.321 178.321 178.538 -0.217 18250 6514 1 7 . 1 1 134 134 LEU CA C 134 59.586 59.586 58.358 1.228 18250 6515 1 7 . 1 1 134 134 LEU CB C 134 42.898 42.898 41.939 0.959 18250 6516 1 7 . 1 1 134 134 LEU H H 134 8.853 8.853 8.753 0.100 18250 6517 1 7 . 1 1 135 135 ASN N N 135 117.661 117.661 117.149 0.512 18250 6518 1 7 . 1 1 135 135 ASN HA H 135 4.353 4.353 4.596 -0.243 18250 6519 1 7 . 1 1 135 135 ASN C C 135 176.407 176.407 177.019 -0.612 18250 6520 1 7 . 1 1 135 135 ASN CA C 135 56.883 56.883 55.697 1.186 18250 6521 1 7 . 1 1 135 135 ASN CB C 135 39.219 39.219 38.531 0.688 18250 6522 1 7 . 1 1 135 135 ASN H H 135 8.455 8.455 8.435 0.020 18250 6523 1 7 . 1 1 136 136 ASP N N 136 115.939 115.939 118.105 -2.166 18250 6524 1 7 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.570 -0.235 18250 6525 1 7 . 1 1 136 136 ASP C C 136 177.798 177.798 177.448 0.350 18250 6526 1 7 . 1 1 136 136 ASP CA C 136 56.501 56.501 56.880 -0.379 18250 6527 1 7 . 1 1 136 136 ASP CB C 136 40.861 40.861 41.791 -0.930 18250 6528 1 7 . 1 1 136 136 ASP H H 136 8.580 8.580 8.401 0.179 18250 6529 1 7 . 1 1 137 137 HIS N N 137 112.071 112.071 118.146 -6.075 18250 6530 1 7 . 1 1 137 137 HIS HA H 137 4.552 4.552 4.264 0.288 18250 6531 1 7 . 1 1 137 137 HIS C C 137 175.780 175.780 176.474 -0.694 18250 6532 1 7 . 1 1 137 137 HIS CA C 137 56.529 56.529 58.347 -1.818 18250 6533 1 7 . 1 1 137 137 HIS CB C 137 30.890 30.890 30.357 0.533 18250 6534 1 7 . 1 1 137 137 HIS H H 137 8.202 8.202 7.780 0.422 18250 6535 1 7 . 1 1 138 138 LEU N N 138 117.363 117.363 119.998 -2.635 18250 6536 1 7 . 1 1 138 138 LEU HA H 138 4.550 4.550 4.361 0.189 18250 6537 1 7 . 1 1 138 138 LEU C C 138 176.369 176.369 178.046 -1.677 18250 6538 1 7 . 1 1 138 138 LEU CA C 138 55.696 55.696 56.379 -0.683 18250 6539 1 7 . 1 1 138 138 LEU CB C 138 43.465 43.465 42.278 1.187 18250 6540 1 7 . 1 1 138 138 LEU H H 138 7.306 7.306 7.994 -0.688 18250 6541 1 7 . 1 1 139 139 GLU N N 139 121.917 121.917 120.472 1.445 18250 6542 1 7 . 1 1 139 139 GLU HA H 139 4.351 4.351 4.093 0.258 18250 6543 1 7 . 1 1 139 139 GLU C C 139 173.816 173.816 175.714 -1.898 18250 6544 1 7 . 1 1 139 139 GLU CA C 139 60.529 60.529 61.531 -1.002 18250 6545 1 7 . 1 1 139 139 GLU CB C 139 27.774 27.774 27.394 0.380 18250 6546 1 7 . 1 1 139 139 GLU H H 139 8.706 8.706 8.456 0.250 18250 6547 1 7 . 1 1 140 140 PRO HA H 140 4.234 4.234 4.190 0.044 18250 6548 1 7 . 1 1 140 140 PRO C C 140 179.159 179.159 178.744 0.415 18250 6549 1 7 . 1 1 140 140 PRO CA C 140 66.582 66.582 65.674 0.908 18250 6550 1 7 . 1 1 140 140 PRO CB C 140 30.747 30.747 31.473 -0.726 18250 6551 1 7 . 1 1 141 141 TRP N N 141 118.367 118.367 119.323 -0.956 18250 6552 1 7 . 1 1 141 141 TRP HA H 141 3.855 3.855 4.422 -0.567 18250 6553 1 7 . 1 1 141 141 TRP C C 141 179.411 179.411 177.676 1.735 18250 6554 1 7 . 1 1 141 141 TRP CA C 141 62.205 62.205 60.847 1.358 18250 6555 1 7 . 1 1 141 141 TRP CB C 141 28.928 28.928 30.076 -1.148 18250 6556 1 7 . 1 1 141 141 TRP H H 141 7.195 7.195 7.784 -0.589 18250 6557 1 7 . 1 1 142 142 ILE N N 142 122.553 122.553 120.277 2.276 18250 6558 1 7 . 1 1 142 142 ILE HA H 142 2.891 2.891 3.233 -0.342 18250 6559 1 7 . 1 1 142 142 ILE C C 142 178.924 178.924 178.045 0.879 18250 6560 1 7 . 1 1 142 142 ILE CA C 142 66.241 66.241 65.475 0.766 18250 6561 1 7 . 1 1 142 142 ILE CB C 142 38.314 38.314 37.488 0.826 18250 6562 1 7 . 1 1 142 142 ILE H H 142 8.511 8.511 7.812 0.699 18250 6563 1 7 . 1 1 143 143 GLN N N 143 116.777 116.777 117.904 -1.127 18250 6564 1 7 . 1 1 143 143 GLN HA H 143 3.920 3.920 3.923 -0.003 18250 6565 1 7 . 1 1 143 143 GLN C C 143 179.455 179.455 178.509 0.946 18250 6566 1 7 . 1 1 143 143 GLN CA C 143 58.567 58.567 58.752 -0.184 18250 6567 1 7 . 1 1 143 143 GLN CB C 143 28.068 28.068 28.151 -0.083 18250 6568 1 7 . 1 1 143 143 GLN H H 143 8.514 8.514 8.431 0.083 18250 6569 1 7 . 1 1 144 144 GLU N N 144 119.467 119.467 119.163 0.304 18250 6570 1 7 . 1 1 144 144 GLU HA H 144 4.084 4.084 4.019 0.065 18250 6571 1 7 . 1 1 144 144 GLU C C 144 176.785 176.785 177.498 -0.713 18250 6572 1 7 . 1 1 144 144 GLU CA C 144 57.902 57.902 58.522 -0.620 18250 6573 1 7 . 1 1 144 144 GLU CB C 144 29.915 29.915 29.257 0.658 18250 6574 1 7 . 1 1 144 144 GLU H H 144 7.646 7.646 7.795 -0.149 18250 6575 1 7 . 1 1 145 145 ASN N N 145 116.904 116.904 115.980 0.924 18250 6576 1 7 . 1 1 145 145 ASN HA H 145 4.454 4.454 4.626 -0.172 18250 6577 1 7 . 1 1 145 145 ASN C C 145 173.890 173.890 175.042 -1.152 18250 6578 1 7 . 1 1 145 145 ASN CA C 145 53.652 53.652 52.973 0.679 18250 6579 1 7 . 1 1 145 145 ASN CB C 145 38.204 38.204 38.912 -0.708 18250 6580 1 7 . 1 1 145 145 ASN H H 145 7.195 7.195 7.410 -0.215 18250 6581 1 7 . 1 1 146 146 GLY N N 146 105.175 105.175 107.020 -1.845 18250 6582 1 7 . 1 1 146 146 GLY C C 146 175.977 175.977 174.162 1.815 18250 6583 1 7 . 1 1 146 146 GLY CA C 146 45.723 45.723 44.904 0.820 18250 6584 1 7 . 1 1 146 146 GLY H H 146 7.438 7.438 8.123 -0.685 18250 6585 1 7 . 1 1 147 147 GLY N N 147 108.769 108.769 108.086 0.683 18250 6586 1 7 . 1 1 147 147 GLY C C 147 173.367 173.367 175.161 -1.794 18250 6587 1 7 . 1 1 147 147 GLY CA C 147 44.532 44.532 44.472 0.060 18250 6588 1 7 . 1 1 147 147 GLY H H 147 8.580 8.580 7.683 0.897 18250 6589 1 7 . 1 1 148 148 TRP N N 148 118.433 118.433 122.593 -4.160 18250 6590 1 7 . 1 1 148 148 TRP HA H 148 4.431 4.431 4.594 -0.163 18250 6591 1 7 . 1 1 148 148 TRP C C 148 178.434 178.434 177.494 0.940 18250 6592 1 7 . 1 1 148 148 TRP CA C 148 60.558 60.558 60.133 0.425 18250 6593 1 7 . 1 1 148 148 TRP CB C 148 29.872 29.872 29.507 0.365 18250 6594 1 7 . 1 1 148 148 TRP H H 148 8.715 8.715 8.659 0.056 18250 6595 1 7 . 1 1 149 149 ASP N N 149 118.214 118.214 118.054 0.160 18250 6596 1 7 . 1 1 149 149 ASP HA H 149 4.446 4.446 4.340 0.106 18250 6597 1 7 . 1 1 149 149 ASP C C 149 179.629 179.629 178.336 1.293 18250 6598 1 7 . 1 1 149 149 ASP CA C 149 57.850 57.850 58.000 -0.150 18250 6599 1 7 . 1 1 149 149 ASP CB C 149 40.379 40.379 40.048 0.331 18250 6600 1 7 . 1 1 149 149 ASP H H 149 8.897 8.897 8.763 0.134 18250 6601 1 7 . 1 1 150 150 THR N N 150 117.183 117.183 116.210 0.973 18250 6602 1 7 . 1 1 150 150 THR HA H 150 4.010 4.010 4.001 0.009 18250 6603 1 7 . 1 1 150 150 THR C C 150 175.220 175.220 175.751 -0.531 18250 6604 1 7 . 1 1 150 150 THR CA C 150 66.376 66.376 66.142 0.234 18250 6605 1 7 . 1 1 150 150 THR CB C 150 68.344 68.344 68.660 -0.316 18250 6606 1 7 . 1 1 150 150 THR H H 150 7.632 7.632 7.586 0.046 18250 6607 1 7 . 1 1 151 151 PHE N N 151 122.603 122.603 122.113 0.490 18250 6608 1 7 . 1 1 151 151 PHE HA H 151 4.423 4.423 3.704 0.719 18250 6609 1 7 . 1 1 151 151 PHE C C 151 176.703 176.703 177.079 -0.376 18250 6610 1 7 . 1 1 151 151 PHE CA C 151 61.847 61.847 60.722 1.125 18250 6611 1 7 . 1 1 151 151 PHE CB C 151 37.952 37.952 38.864 -0.911 18250 6612 1 7 . 1 1 151 151 PHE H H 151 6.638 6.638 7.180 -0.542 18250 6613 1 7 . 1 1 152 152 VAL N N 152 117.675 117.675 119.213 -1.538 18250 6614 1 7 . 1 1 152 152 VAL HA H 152 3.065 3.065 3.363 -0.298 18250 6615 1 7 . 1 1 152 152 VAL C C 152 178.313 178.313 177.526 0.787 18250 6616 1 7 . 1 1 152 152 VAL CA C 152 66.780 66.780 66.566 0.214 18250 6617 1 7 . 1 1 152 152 VAL CB C 152 31.889 31.889 31.705 0.184 18250 6618 1 7 . 1 1 152 152 VAL H H 152 7.840 7.840 8.684 -0.844 18250 6619 1 7 . 1 1 153 153 GLU N N 153 120.159 120.159 119.601 0.558 18250 6620 1 7 . 1 1 153 153 GLU HA H 153 3.925 3.925 3.941 -0.016 18250 6621 1 7 . 1 1 153 153 GLU C C 153 178.157 178.157 178.980 -0.823 18250 6622 1 7 . 1 1 153 153 GLU CA C 153 59.292 59.292 59.215 0.077 18250 6623 1 7 . 1 1 153 153 GLU CB C 153 29.569 29.569 29.509 0.059 18250 6624 1 7 . 1 1 153 153 GLU H H 153 7.484 7.484 7.586 -0.102 18250 6625 1 7 . 1 1 154 154 LEU N N 154 117.518 117.518 118.845 -1.327 18250 6626 1 7 . 1 1 154 154 LEU HA H 154 4.054 4.054 3.802 0.252 18250 6627 1 7 . 1 1 154 154 LEU C C 154 178.563 178.563 179.009 -0.446 18250 6628 1 7 . 1 1 154 154 LEU CA C 154 56.844 56.844 57.632 -0.788 18250 6629 1 7 . 1 1 154 154 LEU CB C 154 43.739 43.739 42.003 1.736 18250 6630 1 7 . 1 1 154 154 LEU H H 154 7.701 7.701 7.436 0.265 18250 6631 1 7 . 1 1 155 155 TYR N N 155 116.466 116.466 112.775 3.691 18250 6632 1 7 . 1 1 155 155 TYR HA H 155 4.227 4.227 4.312 -0.085 18250 6633 1 7 . 1 1 155 155 TYR C C 155 176.835 176.835 176.220 0.615 18250 6634 1 7 . 1 1 155 155 TYR CA C 155 59.639 59.639 58.630 1.009 18250 6635 1 7 . 1 1 155 155 TYR CB C 155 38.891 38.891 38.158 0.733 18250 6636 1 7 . 1 1 155 155 TYR H H 155 8.210 8.210 7.474 0.736 18250 6637 1 7 . 1 1 156 156 GLY N N 156 108.677 108.677 107.971 0.706 18250 6638 1 7 . 1 1 156 156 GLY C C 156 173.893 173.893 174.735 -0.842 18250 6639 1 7 . 1 1 156 156 GLY CA C 156 45.627 45.627 45.195 0.432 18250 6640 1 7 . 1 1 156 156 GLY H H 156 8.125 8.125 7.501 0.624 18250 6641 1 7 . 1 1 157 157 ASN N N 157 118.537 118.537 121.524 -2.987 18250 6642 1 7 . 1 1 157 157 ASN HA H 157 4.640 4.640 4.520 0.120 18250 6643 1 7 . 1 1 157 157 ASN C C 157 175.436 175.436 177.742 -2.306 18250 6644 1 7 . 1 1 157 157 ASN CA C 157 53.482 53.482 55.930 -2.448 18250 6645 1 7 . 1 1 157 157 ASN CB C 157 38.726 38.726 38.261 0.465 18250 6646 1 7 . 1 1 157 157 ASN H H 157 8.429 8.429 7.842 0.587 18250 6647 1 7 . 1 1 158 158 ASN N N 158 119.251 119.251 119.055 0.196 18250 6648 1 7 . 1 1 158 158 ASN HA H 158 4.634 4.634 4.516 0.118 18250 6649 1 7 . 1 1 158 158 ASN C C 158 175.574 175.574 177.209 -1.635 18250 6650 1 7 . 1 1 158 158 ASN CA C 158 53.845 53.845 55.741 -1.896 18250 6651 1 7 . 1 1 158 158 ASN CB C 158 38.841 38.841 37.992 0.849 18250 6652 1 7 . 1 1 158 158 ASN H H 158 8.444 8.444 8.601 -0.157 18250 6653 1 7 . 1 1 159 159 ALA N N 159 123.557 123.557 123.065 0.492 18250 6654 1 7 . 1 1 159 159 ALA HA H 159 4.185 4.185 3.991 0.194 18250 6655 1 7 . 1 1 159 159 ALA C C 159 178.451 178.451 178.985 -0.534 18250 6656 1 7 . 1 1 159 159 ALA CA C 159 53.732 53.732 54.787 -1.055 18250 6657 1 7 . 1 1 159 159 ALA CB C 159 18.793 18.793 17.989 0.804 18250 6658 1 7 . 1 1 159 159 ALA H H 159 8.216 8.216 7.566 0.650 18250 6659 1 7 . 1 1 160 160 ALA N N 160 121.918 121.918 120.242 1.676 18250 6660 1 7 . 1 1 160 160 ALA HA H 160 4.236 4.236 4.098 0.138 18250 6661 1 7 . 1 1 160 160 ALA C C 160 178.493 178.493 178.692 -0.199 18250 6662 1 7 . 1 1 160 160 ALA CA C 160 53.131 53.131 54.509 -1.378 18250 6663 1 7 . 1 1 160 160 ALA CB C 160 18.623 18.623 18.479 0.144 18250 6664 1 7 . 1 1 160 160 ALA H H 160 8.159 8.159 7.614 0.545 18250 6665 1 7 . 1 1 161 161 ALA N N 161 122.552 122.552 119.703 2.849 18250 6666 1 7 . 1 1 161 161 ALA HA H 161 4.160 4.160 4.275 -0.115 18250 6667 1 7 . 1 1 161 161 ALA C C 161 178.993 178.993 179.658 -0.665 18250 6668 1 7 . 1 1 161 161 ALA CA C 161 53.807 53.807 53.997 -0.190 18250 6669 1 7 . 1 1 161 161 ALA CB C 161 18.845 18.845 19.317 -0.472 18250 6670 1 7 . 1 1 161 161 ALA H H 161 8.054 8.054 7.566 0.488 18250 6671 1 7 . 1 1 162 162 GLU N N 162 118.709 118.709 119.638 -0.929 18250 6672 1 7 . 1 1 162 162 GLU HA H 162 4.175 4.175 4.010 0.165 18250 6673 1 7 . 1 1 162 162 GLU C C 162 177.630 177.630 179.137 -1.507 18250 6674 1 7 . 1 1 162 162 GLU CA C 162 57.788 57.788 59.405 -1.617 18250 6675 1 7 . 1 1 162 162 GLU CB C 162 29.767 29.767 29.821 -0.054 18250 6676 1 7 . 1 1 162 162 GLU H H 162 8.330 8.330 7.897 0.433 18250 6677 1 7 . 1 1 163 163 SER N N 163 115.336 115.336 114.612 0.724 18250 6678 1 7 . 1 1 163 163 SER HA H 163 4.378 4.378 4.165 0.213 18250 6679 1 7 . 1 1 163 163 SER C C 163 175.241 175.241 176.546 -1.305 18250 6680 1 7 . 1 1 163 163 SER CA C 163 59.419 59.419 61.415 -1.996 18250 6681 1 7 . 1 1 163 163 SER CB C 163 63.456 63.456 63.337 0.119 18250 6682 1 7 . 1 1 163 163 SER H H 163 8.122 8.122 8.703 -0.581 18250 6683 1 7 . 1 1 164 164 ARG N N 164 121.905 121.905 122.255 -0.350 18250 6684 1 7 . 1 1 164 164 ARG HA H 164 4.328 4.328 4.075 0.253 18250 6685 1 7 . 1 1 164 164 ARG C C 164 176.812 176.812 177.970 -1.158 18250 6686 1 7 . 1 1 164 164 ARG CA C 164 56.772 56.772 58.508 -1.736 18250 6687 1 7 . 1 1 164 164 ARG CB C 164 30.508 30.508 29.563 0.945 18250 6688 1 7 . 1 1 164 164 ARG H H 164 8.054 8.054 7.901 0.153 18250 6689 1 7 . 1 1 165 165 LYS N N 165 121.165 121.165 118.729 2.436 18250 6690 1 7 . 1 1 165 165 LYS HA H 165 4.247 4.247 4.101 0.146 18250 6691 1 7 . 1 1 165 165 LYS C C 165 177.580 177.580 178.562 -0.982 18250 6692 1 7 . 1 1 165 165 LYS CA C 165 57.272 57.272 58.904 -1.632 18250 6693 1 7 . 1 1 165 165 LYS CB C 165 32.845 32.845 32.191 0.654 18250 6694 1 7 . 1 1 165 165 LYS H H 165 8.111 8.111 7.498 0.613 18250 6695 1 7 . 1 1 166 166 GLY N N 166 109.466 109.466 106.379 3.087 18250 6696 1 7 . 1 1 166 166 GLY C C 166 174.696 174.696 175.812 -1.116 18250 6697 1 7 . 1 1 166 166 GLY CA C 166 45.691 45.691 46.064 -0.373 18250 6698 1 7 . 1 1 166 166 GLY H H 166 8.444 8.444 7.787 0.657 18250 6699 1 7 . 1 1 167 167 GLN N N 167 119.704 119.704 121.316 -1.612 18250 6700 1 7 . 1 1 167 167 GLN HA H 167 4.342 4.342 4.162 0.180 18250 6701 1 7 . 1 1 167 167 GLN C C 167 176.093 176.093 177.987 -1.894 18250 6702 1 7 . 1 1 167 167 GLN CA C 167 56.161 56.161 58.450 -2.288 18250 6703 1 7 . 1 1 167 167 GLN CB C 167 29.403 29.403 28.650 0.753 18250 6704 1 7 . 1 1 167 167 GLN H H 167 8.143 8.143 7.647 0.496 18250 6705 1 7 . 1 1 168 168 GLU N N 168 121.765 121.765 118.213 3.552 18250 6706 1 7 . 1 1 168 168 GLU HA H 168 4.224 4.224 4.158 0.066 18250 6707 1 7 . 1 1 168 168 GLU C C 168 176.750 176.750 178.121 -1.371 18250 6708 1 7 . 1 1 168 168 GLU CA C 168 57.344 57.344 57.455 -0.111 18250 6709 1 7 . 1 1 168 168 GLU CB C 168 29.990 29.990 28.793 1.197 18250 6710 1 7 . 1 1 168 168 GLU H H 168 8.526 8.526 7.792 0.734 18250 6711 1 7 . 1 1 169 169 ARG N N 169 121.114 121.114 120.374 0.740 18250 6712 1 7 . 1 1 169 169 ARG HA H 169 4.291 4.291 4.256 0.035 18250 6713 1 7 . 1 1 169 169 ARG C C 169 177.587 177.587 178.357 -0.770 18250 6714 1 7 . 1 1 169 169 ARG CA C 169 56.338 56.338 57.726 -1.388 18250 6715 1 7 . 1 1 169 169 ARG CB C 169 30.516 30.516 29.964 0.552 18250 6716 1 7 . 1 1 169 169 ARG H H 169 8.284 8.284 7.330 0.954 18250 6717 1 7 . 1 1 170 170 LEU N N 170 122.853 122.853 116.759 6.094 18250 6718 1 7 . 1 1 170 170 LEU HA H 170 4.399 4.399 4.117 0.282 18250 6719 1 7 . 1 1 170 170 LEU C C 170 177.364 177.364 177.518 -0.154 18250 6720 1 7 . 1 1 170 170 LEU CA C 170 55.290 55.290 56.872 -1.582 18250 6721 1 7 . 1 1 170 170 LEU CB C 170 42.424 42.424 41.561 0.863 18250 6722 1 7 . 1 1 170 170 LEU H H 170 8.181 8.181 7.372 0.809 18250 6723 1 7 . 1 1 171 171 GLU N N 171 120.823 120.823 118.262 2.561 18250 6724 1 7 . 1 1 171 171 GLU C C 171 176.255 176.255 176.969 -0.714 18250 6725 1 7 . 1 1 171 171 GLU CA C 171 56.725 56.725 57.153 -0.428 18250 6726 1 7 . 1 1 171 171 GLU CB C 171 30.289 30.289 29.777 0.512 18250 6727 1 7 . 1 1 171 171 GLU H H 171 8.352 8.352 7.460 0.892 18250 6728 1 8 . 1 1 2 2 SER N N 2 122.263 122.263 117.505 4.758 18250 6729 1 8 . 1 1 2 2 SER HA H 2 4.270 4.270 4.868 -0.598 18250 6730 1 8 . 1 1 2 2 SER CA C 2 59.961 59.961 60.051 -0.090 18250 6731 1 8 . 1 1 2 2 SER CB C 2 64.958 64.958 63.592 1.366 18250 6732 1 8 . 1 1 2 2 SER H H 2 7.955 7.955 8.531 -0.576 18250 6733 1 8 . 1 1 3 3 GLN HA H 3 4.387 4.387 4.219 0.168 18250 6734 1 8 . 1 1 3 3 GLN C C 3 179.078 179.078 177.982 1.096 18250 6735 1 8 . 1 1 3 3 GLN CA C 3 56.616 56.616 58.955 -2.339 18250 6736 1 8 . 1 1 3 3 GLN CB C 3 29.224 29.224 28.522 0.702 18250 6737 1 8 . 1 1 4 4 SER N N 4 117.102 117.102 114.984 2.118 18250 6738 1 8 . 1 1 4 4 SER HA H 4 4.465 4.465 4.139 0.326 18250 6739 1 8 . 1 1 4 4 SER C C 4 175.930 175.930 176.520 -0.590 18250 6740 1 8 . 1 1 4 4 SER CA C 4 58.994 58.994 61.158 -2.164 18250 6741 1 8 . 1 1 4 4 SER CB C 4 63.490 63.490 62.666 0.824 18250 6742 1 8 . 1 1 4 4 SER H H 4 8.647 8.647 8.551 0.096 18250 6743 1 8 . 1 1 5 5 ASN N N 5 122.476 122.476 120.695 1.781 18250 6744 1 8 . 1 1 5 5 ASN HA H 5 4.744 4.744 4.666 0.078 18250 6745 1 8 . 1 1 5 5 ASN C C 5 177.378 177.378 177.613 -0.235 18250 6746 1 8 . 1 1 5 5 ASN CA C 5 56.150 56.150 55.978 0.172 18250 6747 1 8 . 1 1 5 5 ASN CB C 5 38.363 38.363 38.246 0.117 18250 6748 1 8 . 1 1 5 5 ASN H H 5 8.603 8.603 7.942 0.661 18250 6749 1 8 . 1 1 6 6 ARG N N 6 120.024 120.024 121.004 -0.980 18250 6750 1 8 . 1 1 6 6 ARG HA H 6 3.927 3.927 4.061 -0.134 18250 6751 1 8 . 1 1 6 6 ARG C C 6 177.331 177.331 178.033 -0.702 18250 6752 1 8 . 1 1 6 6 ARG CA C 6 59.861 59.861 59.616 0.245 18250 6753 1 8 . 1 1 6 6 ARG CB C 6 29.756 29.756 30.342 -0.586 18250 6754 1 8 . 1 1 6 6 ARG H H 6 8.252 8.252 7.578 0.674 18250 6755 1 8 . 1 1 7 7 GLU N N 7 117.799 117.799 119.649 -1.850 18250 6756 1 8 . 1 1 7 7 GLU HA H 7 3.907 3.907 4.119 -0.212 18250 6757 1 8 . 1 1 7 7 GLU C C 7 179.388 179.388 179.360 0.028 18250 6758 1 8 . 1 1 7 7 GLU CA C 7 59.380 59.380 58.810 0.570 18250 6759 1 8 . 1 1 7 7 GLU CB C 7 29.624 29.624 29.077 0.547 18250 6760 1 8 . 1 1 7 7 GLU H H 7 7.953 7.953 8.035 -0.082 18250 6761 1 8 . 1 1 8 8 LEU N N 8 119.794 119.794 119.311 0.483 18250 6762 1 8 . 1 1 8 8 LEU HA H 8 3.875 3.875 4.121 -0.246 18250 6763 1 8 . 1 1 8 8 LEU C C 8 178.368 178.368 179.136 -0.768 18250 6764 1 8 . 1 1 8 8 LEU CA C 8 58.116 58.116 57.724 0.392 18250 6765 1 8 . 1 1 8 8 LEU CB C 8 41.926 41.926 41.690 0.236 18250 6766 1 8 . 1 1 8 8 LEU H H 8 7.726 7.726 8.307 -0.581 18250 6767 1 8 . 1 1 9 9 VAL N N 9 117.818 117.818 118.014 -0.196 18250 6768 1 8 . 1 1 9 9 VAL HA H 9 3.678 3.678 3.592 0.086 18250 6769 1 8 . 1 1 9 9 VAL C C 9 177.085 177.085 177.910 -0.825 18250 6770 1 8 . 1 1 9 9 VAL CA C 9 67.766 67.766 65.916 1.849 18250 6771 1 8 . 1 1 9 9 VAL CB C 9 32.429 32.429 31.837 0.592 18250 6772 1 8 . 1 1 9 9 VAL H H 9 7.765 7.765 7.127 0.638 18250 6773 1 8 . 1 1 10 10 VAL N N 10 117.317 117.317 120.383 -3.066 18250 6774 1 8 . 1 1 10 10 VAL HA H 10 2.926 2.926 3.223 -0.297 18250 6775 1 8 . 1 1 10 10 VAL C C 10 178.588 178.588 177.322 1.266 18250 6776 1 8 . 1 1 10 10 VAL CA C 10 67.029 67.029 67.700 -0.671 18250 6777 1 8 . 1 1 10 10 VAL CB C 10 31.401 31.401 31.268 0.133 18250 6778 1 8 . 1 1 10 10 VAL H H 10 8.333 8.333 8.520 -0.187 18250 6779 1 8 . 1 1 11 11 ASP N N 11 120.859 120.859 118.738 2.121 18250 6780 1 8 . 1 1 11 11 ASP HA H 11 4.083 4.083 4.268 -0.185 18250 6781 1 8 . 1 1 11 11 ASP C C 11 177.495 177.495 178.854 -1.359 18250 6782 1 8 . 1 1 11 11 ASP CA C 11 58.947 58.947 56.818 2.130 18250 6783 1 8 . 1 1 11 11 ASP CB C 11 43.345 43.345 40.857 2.488 18250 6784 1 8 . 1 1 11 11 ASP H H 11 8.070 8.070 8.349 -0.279 18250 6785 1 8 . 1 1 12 12 PHE N N 12 120.293 120.293 121.087 -0.794 18250 6786 1 8 . 1 1 12 12 PHE HA H 12 3.953 3.953 4.320 -0.367 18250 6787 1 8 . 1 1 12 12 PHE C C 12 178.083 178.083 177.007 1.076 18250 6788 1 8 . 1 1 12 12 PHE CA C 12 63.221 63.221 61.056 2.165 18250 6789 1 8 . 1 1 12 12 PHE CB C 12 40.134 40.134 39.626 0.508 18250 6790 1 8 . 1 1 12 12 PHE H H 12 8.327 8.327 7.340 0.987 18250 6791 1 8 . 1 1 13 13 LEU N N 13 116.845 116.845 119.572 -2.727 18250 6792 1 8 . 1 1 13 13 LEU HA H 13 3.990 3.990 3.994 -0.004 18250 6793 1 8 . 1 1 13 13 LEU C C 13 179.454 179.454 179.069 0.385 18250 6794 1 8 . 1 1 13 13 LEU CA C 13 58.291 58.291 57.854 0.437 18250 6795 1 8 . 1 1 13 13 LEU CB C 13 41.739 41.739 41.464 0.275 18250 6796 1 8 . 1 1 13 13 LEU H H 13 8.907 8.907 8.492 0.415 18250 6797 1 8 . 1 1 14 14 SER N N 14 114.306 114.306 115.345 -1.039 18250 6798 1 8 . 1 1 14 14 SER HA H 14 4.257 4.257 4.085 0.172 18250 6799 1 8 . 1 1 14 14 SER C C 14 177.281 177.281 176.614 0.667 18250 6800 1 8 . 1 1 14 14 SER CA C 14 62.641 62.641 61.311 1.330 18250 6801 1 8 . 1 1 14 14 SER CB C 14 62.594 62.594 62.616 -0.022 18250 6802 1 8 . 1 1 14 14 SER H H 14 8.503 8.503 8.353 0.150 18250 6803 1 8 . 1 1 15 15 TYR N N 15 124.988 124.988 123.869 1.119 18250 6804 1 8 . 1 1 15 15 TYR HA H 15 4.388 4.388 4.184 0.204 18250 6805 1 8 . 1 1 15 15 TYR C C 15 178.247 178.247 177.313 0.934 18250 6806 1 8 . 1 1 15 15 TYR CA C 15 60.311 60.311 61.321 -1.010 18250 6807 1 8 . 1 1 15 15 TYR CB C 15 37.990 37.990 38.405 -0.415 18250 6808 1 8 . 1 1 15 15 TYR H H 15 8.252 8.252 7.612 0.640 18250 6809 1 8 . 1 1 16 16 LYS N N 16 120.256 120.256 119.367 0.889 18250 6810 1 8 . 1 1 16 16 LYS HA H 16 3.829 3.829 3.975 -0.146 18250 6811 1 8 . 1 1 16 16 LYS C C 16 180.272 180.272 179.096 1.176 18250 6812 1 8 . 1 1 16 16 LYS CA C 16 57.063 57.063 58.051 -0.988 18250 6813 1 8 . 1 1 16 16 LYS CB C 16 29.849 29.849 32.195 -2.346 18250 6814 1 8 . 1 1 16 16 LYS H H 16 8.331 8.331 7.535 0.796 18250 6815 1 8 . 1 1 17 17 LEU N N 17 118.564 118.564 120.617 -2.053 18250 6816 1 8 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.078 -0.003 18250 6817 1 8 . 1 1 17 17 LEU C C 17 179.917 179.917 178.983 0.934 18250 6818 1 8 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.676 0.017 18250 6819 1 8 . 1 1 17 17 LEU CB C 17 41.178 41.178 41.744 -0.566 18250 6820 1 8 . 1 1 17 17 LEU H H 17 8.726 8.726 8.807 -0.081 18250 6821 1 8 . 1 1 18 18 SER N N 18 117.861 117.861 114.557 3.304 18250 6822 1 8 . 1 1 18 18 SER HA H 18 4.696 4.696 4.529 0.167 18250 6823 1 8 . 1 1 18 18 SER C C 18 178.612 178.612 177.326 1.286 18250 6824 1 8 . 1 1 18 18 SER CA C 18 61.783 61.783 61.487 0.296 18250 6825 1 8 . 1 1 18 18 SER CB C 18 62.613 62.613 62.825 -0.212 18250 6826 1 8 . 1 1 18 18 SER H H 18 8.394 8.394 8.416 -0.022 18250 6827 1 8 . 1 1 19 19 GLN N N 19 122.899 122.899 119.763 3.136 18250 6828 1 8 . 1 1 19 19 GLN HA H 19 4.017 4.017 4.082 -0.065 18250 6829 1 8 . 1 1 19 19 GLN C C 19 177.237 177.237 176.636 0.601 18250 6830 1 8 . 1 1 19 19 GLN CA C 19 58.536 58.536 57.717 0.819 18250 6831 1 8 . 1 1 19 19 GLN CB C 19 28.795 28.795 28.752 0.043 18250 6832 1 8 . 1 1 19 19 GLN H H 19 7.691 7.691 7.445 0.246 18250 6833 1 8 . 1 1 20 20 LYS N N 20 116.425 116.425 117.192 -0.767 18250 6834 1 8 . 1 1 20 20 LYS HA H 20 4.425 4.425 4.314 0.111 18250 6835 1 8 . 1 1 20 20 LYS C C 20 175.581 175.581 175.960 -0.379 18250 6836 1 8 . 1 1 20 20 LYS CA C 20 54.032 54.032 54.812 -0.780 18250 6837 1 8 . 1 1 20 20 LYS CB C 20 32.659 32.659 32.327 0.333 18250 6838 1 8 . 1 1 20 20 LYS H H 20 7.268 7.268 7.370 -0.102 18250 6839 1 8 . 1 1 21 21 GLY N N 21 105.593 105.593 106.790 -1.197 18250 6840 1 8 . 1 1 21 21 GLY C C 21 174.012 174.012 174.504 -0.492 18250 6841 1 8 . 1 1 21 21 GLY CA C 21 45.316 45.316 45.479 -0.163 18250 6842 1 8 . 1 1 21 21 GLY H H 21 7.620 7.620 7.348 0.272 18250 6843 1 8 . 1 1 22 22 TYR N N 22 119.884 119.884 119.314 0.570 18250 6844 1 8 . 1 1 22 22 TYR HA H 22 5.047 5.047 4.939 0.108 18250 6845 1 8 . 1 1 22 22 TYR C C 22 175.024 175.024 174.555 0.469 18250 6846 1 8 . 1 1 22 22 TYR CA C 22 55.645 55.645 55.382 0.263 18250 6847 1 8 . 1 1 22 22 TYR CB C 22 40.969 40.969 40.237 0.732 18250 6848 1 8 . 1 1 22 22 TYR H H 22 7.892 7.892 8.139 -0.247 18250 6849 1 8 . 1 1 23 23 SER N N 23 115.410 115.410 116.291 -0.881 18250 6850 1 8 . 1 1 23 23 SER HA H 23 4.863 4.863 4.731 0.132 18250 6851 1 8 . 1 1 23 23 SER C C 23 174.483 174.483 174.913 -0.430 18250 6852 1 8 . 1 1 23 23 SER CA C 23 56.776 56.776 55.369 1.407 18250 6853 1 8 . 1 1 23 23 SER CB C 23 64.778 64.778 64.002 0.776 18250 6854 1 8 . 1 1 23 23 SER H H 23 8.561 8.561 8.586 -0.025 18250 6855 1 8 . 1 1 24 24 TRP N N 24 127.533 127.533 128.849 -1.316 18250 6856 1 8 . 1 1 24 24 TRP HA H 24 4.346 4.346 4.580 -0.234 18250 6857 1 8 . 1 1 24 24 TRP C C 24 176.876 176.876 176.550 0.326 18250 6858 1 8 . 1 1 24 24 TRP CA C 24 60.051 60.051 59.761 0.290 18250 6859 1 8 . 1 1 24 24 TRP CB C 24 30.824 30.824 30.086 0.738 18250 6860 1 8 . 1 1 24 24 TRP H H 24 9.026 9.026 9.048 -0.022 18250 6861 1 8 . 1 1 25 25 SER N N 25 112.236 112.236 111.490 0.746 18250 6862 1 8 . 1 1 25 25 SER HA H 25 4.104 4.104 4.061 0.043 18250 6863 1 8 . 1 1 25 25 SER C C 25 175.164 175.164 175.339 -0.175 18250 6864 1 8 . 1 1 25 25 SER CA C 25 60.033 60.033 60.043 -0.010 18250 6865 1 8 . 1 1 25 25 SER CB C 25 62.931 62.931 62.355 0.576 18250 6866 1 8 . 1 1 25 25 SER H H 25 8.236 8.236 8.396 -0.160 18250 6867 1 8 . 1 1 26 26 GLN N N 26 119.530 119.530 119.397 0.133 18250 6868 1 8 . 1 1 26 26 GLN HA H 26 3.895 3.895 4.145 -0.250 18250 6869 1 8 . 1 1 26 26 GLN C C 26 176.075 176.075 176.360 -0.285 18250 6870 1 8 . 1 1 26 26 GLN CA C 26 56.959 56.959 57.026 -0.067 18250 6871 1 8 . 1 1 26 26 GLN CB C 26 28.764 28.764 28.929 -0.165 18250 6872 1 8 . 1 1 26 26 GLN H H 26 7.467 7.467 7.238 0.229 18250 6873 1 8 . 1 1 27 27 PHE N N 27 116.668 116.668 116.367 0.301 18250 6874 1 8 . 1 1 27 27 PHE HA H 27 4.594 4.594 4.614 -0.020 18250 6875 1 8 . 1 1 27 27 PHE C C 27 175.107 175.107 176.033 -0.926 18250 6876 1 8 . 1 1 27 27 PHE CA C 27 56.629 56.629 57.862 -1.233 18250 6877 1 8 . 1 1 27 27 PHE CB C 27 39.909 39.909 40.362 -0.453 18250 6878 1 8 . 1 1 27 27 PHE H H 27 7.343 7.343 7.198 0.145 18250 6879 1 8 . 1 1 28 28 SER N N 28 114.121 114.121 114.983 -0.862 18250 6880 1 8 . 1 1 28 28 SER HA H 28 4.151 4.151 4.217 -0.066 18250 6881 1 8 . 1 1 28 28 SER C C 28 173.703 173.703 173.895 -0.192 18250 6882 1 8 . 1 1 28 28 SER CA C 28 57.662 57.662 56.358 1.304 18250 6883 1 8 . 1 1 28 28 SER CB C 28 63.931 63.931 64.139 -0.208 18250 6884 1 8 . 1 1 28 28 SER H H 28 7.336 7.336 7.644 -0.308 18250 6885 1 8 . 1 1 29 29 ASP N N 29 122.733 122.733 126.841 -4.108 18250 6886 1 8 . 1 1 29 29 ASP HA H 29 4.601 4.601 4.617 -0.016 18250 6887 1 8 . 1 1 29 29 ASP C C 29 176.320 176.320 175.363 0.957 18250 6888 1 8 . 1 1 29 29 ASP CA C 29 54.194 54.194 54.664 -0.470 18250 6889 1 8 . 1 1 29 29 ASP CB C 29 41.145 41.145 40.029 1.116 18250 6890 1 8 . 1 1 29 29 ASP H H 29 8.370 8.370 8.507 -0.137 18250 6891 1 8 . 1 1 30 30 VAL N N 30 119.197 119.197 121.992 -2.795 18250 6892 1 8 . 1 1 30 30 VAL HA H 30 4.096 4.096 4.297 -0.201 18250 6893 1 8 . 1 1 30 30 VAL C C 30 176.232 176.232 177.515 -1.283 18250 6894 1 8 . 1 1 30 30 VAL CA C 30 62.417 62.417 62.992 -0.575 18250 6895 1 8 . 1 1 30 30 VAL CB C 30 33.024 33.024 33.526 -0.503 18250 6896 1 8 . 1 1 30 30 VAL H H 30 7.968 7.968 7.591 0.377 18250 6897 1 8 . 1 1 31 31 GLU N N 31 124.470 124.470 120.497 3.973 18250 6898 1 8 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.091 0.169 18250 6899 1 8 . 1 1 31 31 GLU C C 31 176.526 176.526 177.496 -0.970 18250 6900 1 8 . 1 1 31 31 GLU CA C 31 56.706 56.706 58.537 -1.831 18250 6901 1 8 . 1 1 31 31 GLU CB C 31 30.250 30.250 29.152 1.098 18250 6902 1 8 . 1 1 31 31 GLU H H 31 8.502 8.502 8.546 -0.044 18250 6903 1 8 . 1 1 32 32 GLU N N 32 122.145 122.145 117.506 4.639 18250 6904 1 8 . 1 1 32 32 GLU HA H 32 4.233 4.233 4.163 0.070 18250 6905 1 8 . 1 1 32 32 GLU C C 32 176.172 176.172 176.280 -0.108 18250 6906 1 8 . 1 1 32 32 GLU CA C 32 56.732 56.732 57.164 -0.432 18250 6907 1 8 . 1 1 32 32 GLU CB C 32 30.643 30.643 29.314 1.329 18250 6908 1 8 . 1 1 32 32 GLU H H 32 8.426 8.426 8.708 -0.282 18250 6909 1 8 . 1 1 33 33 ASN N N 33 119.562 119.562 116.179 3.383 18250 6910 1 8 . 1 1 33 33 ASN HA H 33 4.708 4.708 4.863 -0.155 18250 6911 1 8 . 1 1 33 33 ASN C C 33 174.983 174.983 173.665 1.318 18250 6912 1 8 . 1 1 33 33 ASN CA C 33 53.360 53.360 52.608 0.752 18250 6913 1 8 . 1 1 33 33 ASN CB C 33 38.994 38.994 39.676 -0.682 18250 6914 1 8 . 1 1 33 33 ASN H H 33 8.503 8.503 7.732 0.771 18250 6915 1 8 . 1 1 34 34 ARG N N 34 122.040 122.040 119.730 2.310 18250 6916 1 8 . 1 1 34 34 ARG HA H 34 4.411 4.411 4.643 -0.232 18250 6917 1 8 . 1 1 34 34 ARG C C 34 176.470 176.470 175.468 1.002 18250 6918 1 8 . 1 1 34 34 ARG CA C 34 56.151 56.151 55.733 0.418 18250 6919 1 8 . 1 1 34 34 ARG CB C 34 30.891 30.891 30.519 0.372 18250 6920 1 8 . 1 1 34 34 ARG H H 34 8.330 8.330 8.538 -0.208 18250 6921 1 8 . 1 1 35 35 THR N N 35 115.850 115.850 115.004 0.846 18250 6922 1 8 . 1 1 35 35 THR HA H 35 4.329 4.329 4.437 -0.108 18250 6923 1 8 . 1 1 35 35 THR C C 35 174.429 174.429 174.797 -0.368 18250 6924 1 8 . 1 1 35 35 THR CA C 35 62.079 62.079 61.966 0.113 18250 6925 1 8 . 1 1 35 35 THR CB C 35 69.825 69.825 68.669 1.156 18250 6926 1 8 . 1 1 35 35 THR H H 35 8.283 8.283 8.384 -0.101 18250 6927 1 8 . 1 1 36 36 GLU N N 36 123.074 123.074 126.556 -3.482 18250 6928 1 8 . 1 1 36 36 GLU HA H 36 4.311 4.311 4.608 -0.297 18250 6929 1 8 . 1 1 36 36 GLU C C 36 175.641 175.641 175.661 -0.020 18250 6930 1 8 . 1 1 36 36 GLU CA C 36 56.396 56.396 55.143 1.253 18250 6931 1 8 . 1 1 36 36 GLU CB C 36 30.379 30.379 30.965 -0.586 18250 6932 1 8 . 1 1 36 36 GLU H H 36 8.402 8.402 8.211 0.191 18250 6933 1 8 . 1 1 37 37 ALA N N 37 126.190 126.190 125.806 0.384 18250 6934 1 8 . 1 1 37 37 ALA HA H 37 4.613 4.613 4.641 -0.028 18250 6935 1 8 . 1 1 37 37 ALA C C 37 175.419 175.419 175.968 -0.549 18250 6936 1 8 . 1 1 37 37 ALA CA C 37 50.532 50.532 50.383 0.149 18250 6937 1 8 . 1 1 37 37 ALA CB C 37 18.633 18.633 18.605 0.028 18250 6938 1 8 . 1 1 37 37 ALA H H 37 8.314 8.314 8.378 -0.064 18250 6939 1 8 . 1 1 38 38 PRO HA H 38 4.427 4.427 4.505 -0.078 18250 6940 1 8 . 1 1 38 38 PRO C C 38 177.029 177.029 176.462 0.567 18250 6941 1 8 . 1 1 38 38 PRO CA C 38 63.216 63.216 62.149 1.067 18250 6942 1 8 . 1 1 38 38 PRO CB C 38 32.134 32.134 32.476 -0.342 18250 6943 1 8 . 1 1 39 39 GLU N N 39 121.295 121.295 121.050 0.245 18250 6944 1 8 . 1 1 39 39 GLU HA H 39 4.301 4.301 4.255 0.046 18250 6945 1 8 . 1 1 39 39 GLU C C 39 177.079 177.079 176.952 0.127 18250 6946 1 8 . 1 1 39 39 GLU CA C 39 56.836 56.836 57.040 -0.204 18250 6947 1 8 . 1 1 39 39 GLU CB C 39 30.441 30.441 29.622 0.819 18250 6948 1 8 . 1 1 39 39 GLU H H 39 8.640 8.640 8.495 0.145 18250 6949 1 8 . 1 1 40 40 GLY N N 40 110.317 110.317 114.003 -3.686 18250 6950 1 8 . 1 1 40 40 GLY C C 40 174.602 174.602 174.562 0.040 18250 6951 1 8 . 1 1 40 40 GLY CA C 40 45.485 45.485 44.677 0.808 18250 6952 1 8 . 1 1 40 40 GLY H H 40 8.521 8.521 8.408 0.113 18250 6953 1 8 . 1 1 41 41 THR N N 41 113.178 113.178 120.607 -7.429 18250 6954 1 8 . 1 1 41 41 THR HA H 41 4.385 4.385 3.860 0.525 18250 6955 1 8 . 1 1 41 41 THR C C 41 175.499 175.499 176.037 -0.538 18250 6956 1 8 . 1 1 41 41 THR CA C 41 62.273 62.273 65.992 -3.719 18250 6957 1 8 . 1 1 41 41 THR CB C 41 69.917 69.917 69.106 0.811 18250 6958 1 8 . 1 1 41 41 THR H H 41 8.268 8.268 8.473 -0.205 18250 6959 1 8 . 1 1 42 42 GLU N N 42 123.140 123.140 120.777 2.363 18250 6960 1 8 . 1 1 42 42 GLU HA H 42 4.371 4.371 4.222 0.149 18250 6961 1 8 . 1 1 42 42 GLU C C 42 177.161 177.161 178.236 -1.075 18250 6962 1 8 . 1 1 42 42 GLU CA C 42 57.492 57.492 59.257 -1.765 18250 6963 1 8 . 1 1 42 42 GLU CB C 42 29.924 29.924 28.510 1.414 18250 6964 1 8 . 1 1 42 42 GLU H H 42 8.847 8.847 8.697 0.150 18250 6965 1 8 . 1 1 43 43 SER N N 43 115.679 115.679 116.013 -0.334 18250 6966 1 8 . 1 1 43 43 SER HA H 43 4.430 4.430 3.970 0.460 18250 6967 1 8 . 1 1 43 43 SER C C 43 175.673 175.673 176.094 -0.421 18250 6968 1 8 . 1 1 43 43 SER CA C 43 58.925 58.925 61.767 -2.842 18250 6969 1 8 . 1 1 43 43 SER CB C 43 63.710 63.710 62.600 1.110 18250 6970 1 8 . 1 1 43 43 SER H H 43 8.510 8.510 8.350 0.160 18250 6971 1 8 . 1 1 44 44 GLU N N 44 123.102 123.102 120.530 2.572 18250 6972 1 8 . 1 1 44 44 GLU HA H 44 3.992 3.992 4.056 -0.064 18250 6973 1 8 . 1 1 44 44 GLU C C 44 177.924 177.924 178.608 -0.684 18250 6974 1 8 . 1 1 44 44 GLU CA C 44 59.074 59.074 58.823 0.251 18250 6975 1 8 . 1 1 44 44 GLU CB C 44 29.413 29.413 29.182 0.231 18250 6976 1 8 . 1 1 44 44 GLU H H 44 8.350 8.350 7.923 0.427 18250 6977 1 8 . 1 1 45 45 ALA N N 45 120.958 120.958 123.290 -2.332 18250 6978 1 8 . 1 1 45 45 ALA HA H 45 4.131 4.131 4.129 0.002 18250 6979 1 8 . 1 1 45 45 ALA C C 45 180.641 180.641 179.545 1.096 18250 6980 1 8 . 1 1 45 45 ALA CA C 45 55.157 55.157 54.812 0.345 18250 6981 1 8 . 1 1 45 45 ALA CB C 45 18.575 18.575 18.688 -0.113 18250 6982 1 8 . 1 1 45 45 ALA H H 45 8.227 8.227 7.242 0.985 18250 6983 1 8 . 1 1 46 46 VAL N N 46 118.867 118.867 119.441 -0.574 18250 6984 1 8 . 1 1 46 46 VAL HA H 46 3.496 3.496 3.564 -0.068 18250 6985 1 8 . 1 1 46 46 VAL C C 46 176.724 176.724 176.962 -0.238 18250 6986 1 8 . 1 1 46 46 VAL CA C 46 66.189 66.189 65.445 0.744 18250 6987 1 8 . 1 1 46 46 VAL CB C 46 31.811 31.811 31.318 0.493 18250 6988 1 8 . 1 1 46 46 VAL H H 46 7.569 7.569 8.167 -0.598 18250 6989 1 8 . 1 1 47 47 LYS N N 47 117.922 117.922 119.957 -2.035 18250 6990 1 8 . 1 1 47 47 LYS HA H 47 3.719 3.719 3.838 -0.119 18250 6991 1 8 . 1 1 47 47 LYS C C 47 178.888 178.888 178.501 0.387 18250 6992 1 8 . 1 1 47 47 LYS CA C 47 59.801 59.801 59.373 0.428 18250 6993 1 8 . 1 1 47 47 LYS CB C 47 32.514 32.514 31.805 0.709 18250 6994 1 8 . 1 1 47 47 LYS H H 47 7.437 7.437 8.175 -0.738 18250 6995 1 8 . 1 1 48 48 GLN N N 48 116.490 116.490 118.806 -2.316 18250 6996 1 8 . 1 1 48 48 GLN HA H 48 3.712 3.712 3.959 -0.247 18250 6997 1 8 . 1 1 48 48 GLN C C 48 177.625 177.625 177.678 -0.053 18250 6998 1 8 . 1 1 48 48 GLN CA C 48 59.027 59.027 58.822 0.205 18250 6999 1 8 . 1 1 48 48 GLN CB C 48 28.103 28.103 28.592 -0.489 18250 7000 1 8 . 1 1 48 48 GLN H H 48 8.168 8.168 7.562 0.606 18250 7001 1 8 . 1 1 49 49 ALA N N 49 120.362 120.362 123.757 -3.395 18250 7002 1 8 . 1 1 49 49 ALA HA H 49 4.227 4.227 3.853 0.374 18250 7003 1 8 . 1 1 49 49 ALA C C 49 179.807 179.807 179.599 0.208 18250 7004 1 8 . 1 1 49 49 ALA CA C 49 54.930 54.930 55.089 -0.159 18250 7005 1 8 . 1 1 49 49 ALA CB C 49 18.708 18.708 18.119 0.589 18250 7006 1 8 . 1 1 49 49 ALA H H 49 7.789 7.789 8.158 -0.369 18250 7007 1 8 . 1 1 50 50 LEU N N 50 120.591 120.591 117.960 2.631 18250 7008 1 8 . 1 1 50 50 LEU HA H 50 4.151 4.151 4.083 0.068 18250 7009 1 8 . 1 1 50 50 LEU C C 50 179.225 179.225 179.186 0.039 18250 7010 1 8 . 1 1 50 50 LEU CA C 50 58.581 58.581 57.514 1.067 18250 7011 1 8 . 1 1 50 50 LEU CB C 50 42.279 42.279 40.304 1.975 18250 7012 1 8 . 1 1 50 50 LEU H H 50 8.491 8.491 8.593 -0.102 18250 7013 1 8 . 1 1 51 51 ARG N N 51 118.934 118.934 120.324 -1.390 18250 7014 1 8 . 1 1 51 51 ARG HA H 51 3.772 3.772 4.020 -0.248 18250 7015 1 8 . 1 1 51 51 ARG C C 51 178.618 178.618 178.691 -0.073 18250 7016 1 8 . 1 1 51 51 ARG CA C 51 60.954 60.954 59.657 1.297 18250 7017 1 8 . 1 1 51 51 ARG CB C 51 30.888 30.888 30.100 0.788 18250 7018 1 8 . 1 1 51 51 ARG H H 51 8.170 8.170 7.666 0.504 18250 7019 1 8 . 1 1 52 52 GLU N N 52 116.532 116.532 118.400 -1.868 18250 7020 1 8 . 1 1 52 52 GLU HA H 52 4.156 4.156 4.099 0.057 18250 7021 1 8 . 1 1 52 52 GLU C C 52 179.937 179.937 178.598 1.339 18250 7022 1 8 . 1 1 52 52 GLU CA C 52 59.383 59.383 58.498 0.885 18250 7023 1 8 . 1 1 52 52 GLU CB C 52 29.640 29.640 29.304 0.336 18250 7024 1 8 . 1 1 52 52 GLU H H 52 7.914 7.914 8.004 -0.090 18250 7025 1 8 . 1 1 53 53 ALA N N 53 123.226 123.226 121.675 1.551 18250 7026 1 8 . 1 1 53 53 ALA HA H 53 4.473 4.473 3.456 1.017 18250 7027 1 8 . 1 1 53 53 ALA C C 53 181.683 181.683 179.703 1.980 18250 7028 1 8 . 1 1 53 53 ALA CA C 53 55.114 55.114 54.530 0.584 18250 7029 1 8 . 1 1 53 53 ALA CB C 53 19.476 19.476 17.953 1.523 18250 7030 1 8 . 1 1 53 53 ALA H H 53 8.902 8.902 8.158 0.744 18250 7031 1 8 . 1 1 54 54 GLY N N 54 108.711 108.711 105.262 3.449 18250 7032 1 8 . 1 1 54 54 GLY C C 54 175.330 175.330 175.772 -0.442 18250 7033 1 8 . 1 1 54 54 GLY CA C 54 47.111 47.111 46.941 0.170 18250 7034 1 8 . 1 1 54 54 GLY H H 54 9.186 9.186 8.566 0.620 18250 7035 1 8 . 1 1 55 55 ASP N N 55 122.891 122.891 120.899 1.992 18250 7036 1 8 . 1 1 55 55 ASP C C 55 179.023 179.023 177.849 1.174 18250 7037 1 8 . 1 1 55 55 ASP CA C 55 57.752 57.752 56.858 0.894 18250 7038 1 8 . 1 1 55 55 ASP CB C 55 39.839 39.839 41.202 -1.363 18250 7039 1 8 . 1 1 55 55 ASP H H 55 8.224 8.224 7.402 0.822 18250 7040 1 8 . 1 1 56 56 GLU N N 56 120.753 120.753 120.445 0.308 18250 7041 1 8 . 1 1 56 56 GLU HA H 56 4.180 4.180 4.171 0.009 18250 7042 1 8 . 1 1 56 56 GLU C C 56 178.472 178.472 178.650 -0.178 18250 7043 1 8 . 1 1 56 56 GLU CA C 56 59.600 59.600 58.755 0.845 18250 7044 1 8 . 1 1 56 56 GLU CB C 56 29.782 29.782 29.701 0.081 18250 7045 1 8 . 1 1 56 56 GLU H H 56 8.282 8.282 7.543 0.739 18250 7046 1 8 . 1 1 57 57 PHE N N 57 121.604 121.604 120.105 1.499 18250 7047 1 8 . 1 1 57 57 PHE HA H 57 4.341 4.341 4.333 0.008 18250 7048 1 8 . 1 1 57 57 PHE C C 57 177.008 177.008 177.409 -0.401 18250 7049 1 8 . 1 1 57 57 PHE CA C 57 61.915 61.915 62.250 -0.335 18250 7050 1 8 . 1 1 57 57 PHE CB C 57 40.025 40.025 39.726 0.299 18250 7051 1 8 . 1 1 57 57 PHE H H 57 8.671 8.671 8.917 -0.246 18250 7052 1 8 . 1 1 58 58 GLU N N 58 116.765 116.765 119.510 -2.745 18250 7053 1 8 . 1 1 58 58 GLU HA H 58 3.667 3.667 4.053 -0.386 18250 7054 1 8 . 1 1 58 58 GLU C C 58 177.661 177.661 178.236 -0.575 18250 7055 1 8 . 1 1 58 58 GLU CA C 58 58.795 58.795 58.951 -0.156 18250 7056 1 8 . 1 1 58 58 GLU CB C 58 29.783 29.783 29.392 0.391 18250 7057 1 8 . 1 1 58 58 GLU H H 58 8.136 8.136 7.922 0.214 18250 7058 1 8 . 1 1 59 59 LEU N N 59 117.344 117.344 118.554 -1.210 18250 7059 1 8 . 1 1 59 59 LEU HA H 59 4.201 4.201 4.267 -0.066 18250 7060 1 8 . 1 1 59 59 LEU C C 59 178.953 178.953 177.717 1.236 18250 7061 1 8 . 1 1 59 59 LEU CA C 59 56.973 56.973 56.925 0.048 18250 7062 1 8 . 1 1 59 59 LEU CB C 59 42.976 42.976 42.209 0.767 18250 7063 1 8 . 1 1 59 59 LEU H H 59 7.513 7.513 7.321 0.192 18250 7064 1 8 . 1 1 60 60 ARG N N 60 117.779 117.779 117.865 -0.086 18250 7065 1 8 . 1 1 60 60 ARG HA H 60 3.957 3.957 4.232 -0.275 18250 7066 1 8 . 1 1 60 60 ARG C C 60 177.342 177.342 177.077 0.265 18250 7067 1 8 . 1 1 60 60 ARG CA C 60 57.901 57.901 57.289 0.612 18250 7068 1 8 . 1 1 60 60 ARG CB C 60 31.153 31.153 31.622 -0.469 18250 7069 1 8 . 1 1 60 60 ARG H H 60 8.072 8.072 7.334 0.738 18250 7070 1 8 . 1 1 61 61 TYR N N 61 119.056 119.056 116.980 2.076 18250 7071 1 8 . 1 1 61 61 TYR HA H 61 4.744 4.744 4.613 0.131 18250 7072 1 8 . 1 1 61 61 TYR C C 61 175.214 175.214 176.363 -1.149 18250 7073 1 8 . 1 1 61 61 TYR CA C 61 56.294 56.294 56.191 0.103 18250 7074 1 8 . 1 1 61 61 TYR CB C 61 37.024 37.024 37.788 -0.764 18250 7075 1 8 . 1 1 61 61 TYR H H 61 8.050 8.050 8.329 -0.279 18250 7076 1 8 . 1 1 62 62 ARG N N 62 119.956 119.956 122.341 -2.385 18250 7077 1 8 . 1 1 62 62 ARG HA H 62 4.058 4.058 4.109 -0.051 18250 7078 1 8 . 1 1 62 62 ARG C C 62 178.183 178.183 178.111 0.072 18250 7079 1 8 . 1 1 62 62 ARG CA C 62 59.025 59.025 59.936 -0.911 18250 7080 1 8 . 1 1 62 62 ARG CB C 62 30.139 30.139 29.954 0.185 18250 7081 1 8 . 1 1 62 62 ARG H H 62 7.419 7.419 8.448 -1.029 18250 7082 1 8 . 1 1 63 63 ARG HA H 63 4.222 4.222 4.192 0.030 18250 7083 1 8 . 1 1 63 63 ARG C C 63 177.387 177.387 178.367 -0.980 18250 7084 1 8 . 1 1 63 63 ARG CA C 63 57.730 57.730 59.367 -1.637 18250 7085 1 8 . 1 1 63 63 ARG CB C 63 29.179 29.179 29.911 -0.732 18250 7086 1 8 . 1 1 64 64 ALA N N 64 122.003 122.003 122.910 -0.907 18250 7087 1 8 . 1 1 64 64 ALA HA H 64 4.100 4.100 4.369 -0.269 18250 7088 1 8 . 1 1 64 64 ALA C C 64 179.975 179.975 179.485 0.490 18250 7089 1 8 . 1 1 64 64 ALA CA C 64 54.579 54.579 54.598 -0.019 18250 7090 1 8 . 1 1 64 64 ALA CB C 64 18.636 18.636 18.529 0.107 18250 7091 1 8 . 1 1 64 64 ALA H H 64 7.868 7.868 7.386 0.482 18250 7092 1 8 . 1 1 65 65 PHE N N 65 115.858 115.858 120.302 -4.444 18250 7093 1 8 . 1 1 65 65 PHE HA H 65 4.800 4.800 4.372 0.428 18250 7094 1 8 . 1 1 65 65 PHE C C 65 177.376 177.376 177.299 0.077 18250 7095 1 8 . 1 1 65 65 PHE CA C 65 58.222 58.222 61.364 -3.142 18250 7096 1 8 . 1 1 65 65 PHE CB C 65 38.877 38.877 39.511 -0.634 18250 7097 1 8 . 1 1 65 65 PHE H H 65 8.579 8.579 9.082 -0.503 18250 7098 1 8 . 1 1 66 66 SER N N 66 116.942 116.942 114.866 2.076 18250 7099 1 8 . 1 1 66 66 SER HA H 66 4.223 4.223 4.181 0.042 18250 7100 1 8 . 1 1 66 66 SER C C 66 176.472 176.472 176.856 -0.384 18250 7101 1 8 . 1 1 66 66 SER CA C 66 61.764 61.764 61.796 -0.032 18250 7102 1 8 . 1 1 66 66 SER CB C 66 63.012 63.012 62.776 0.235 18250 7103 1 8 . 1 1 66 66 SER H H 66 8.232 8.232 8.712 -0.480 18250 7104 1 8 . 1 1 67 67 ASP N N 67 121.623 121.623 123.488 -1.865 18250 7105 1 8 . 1 1 67 67 ASP HA H 67 4.487 4.487 4.536 -0.049 18250 7106 1 8 . 1 1 67 67 ASP C C 67 178.404 178.404 178.484 -0.080 18250 7107 1 8 . 1 1 67 67 ASP CA C 67 56.827 56.827 56.948 -0.121 18250 7108 1 8 . 1 1 67 67 ASP CB C 67 40.176 40.176 40.905 -0.729 18250 7109 1 8 . 1 1 67 67 ASP H H 67 8.476 8.476 7.552 0.924 18250 7110 1 8 . 1 1 68 68 LEU N N 68 121.200 121.200 119.514 1.686 18250 7111 1 8 . 1 1 68 68 LEU HA H 68 4.104 4.104 3.940 0.164 18250 7112 1 8 . 1 1 68 68 LEU C C 68 179.046 179.046 178.941 0.105 18250 7113 1 8 . 1 1 68 68 LEU CA C 68 57.972 57.972 57.604 0.368 18250 7114 1 8 . 1 1 68 68 LEU CB C 68 42.555 42.555 41.983 0.572 18250 7115 1 8 . 1 1 68 68 LEU H H 68 7.889 7.889 8.438 -0.549 18250 7116 1 8 . 1 1 69 69 THR N N 69 110.282 110.282 111.420 -1.138 18250 7117 1 8 . 1 1 69 69 THR HA H 69 4.086 4.086 3.784 0.302 18250 7118 1 8 . 1 1 69 69 THR C C 69 177.457 177.457 175.847 1.610 18250 7119 1 8 . 1 1 69 69 THR CA C 69 65.839 65.839 65.887 -0.048 18250 7120 1 8 . 1 1 69 69 THR CB C 69 68.442 68.442 68.088 0.354 18250 7121 1 8 . 1 1 69 69 THR H H 69 8.493 8.493 8.388 0.105 18250 7122 1 8 . 1 1 70 70 SER N N 70 116.582 116.582 115.855 0.727 18250 7123 1 8 . 1 1 70 70 SER HA H 70 4.330 4.330 4.307 0.023 18250 7124 1 8 . 1 1 70 70 SER C C 70 175.607 175.607 175.816 -0.209 18250 7125 1 8 . 1 1 70 70 SER CA C 70 60.676 60.676 61.238 -0.562 18250 7126 1 8 . 1 1 70 70 SER CB C 70 63.301 63.301 62.854 0.447 18250 7127 1 8 . 1 1 70 70 SER H H 70 7.754 7.754 7.311 0.443 18250 7128 1 8 . 1 1 71 71 GLN N N 71 119.129 119.129 121.257 -2.128 18250 7129 1 8 . 1 1 71 71 GLN HA H 71 4.108 4.108 4.165 -0.057 18250 7130 1 8 . 1 1 71 71 GLN C C 71 176.338 176.338 177.084 -0.746 18250 7131 1 8 . 1 1 71 71 GLN CA C 71 57.407 57.407 57.853 -0.446 18250 7132 1 8 . 1 1 71 71 GLN CB C 71 29.533 29.533 29.175 0.358 18250 7133 1 8 . 1 1 71 71 GLN H H 71 7.754 7.754 7.474 0.280 18250 7134 1 8 . 1 1 72 72 LEU N N 72 118.804 118.804 118.990 -0.186 18250 7135 1 8 . 1 1 72 72 LEU HA H 72 4.312 4.312 4.261 0.051 18250 7136 1 8 . 1 1 72 72 LEU C C 72 174.285 174.285 175.889 -1.604 18250 7137 1 8 . 1 1 72 72 LEU CA C 72 55.437 55.437 53.898 1.539 18250 7138 1 8 . 1 1 72 72 LEU CB C 72 43.888 43.888 42.167 1.720 18250 7139 1 8 . 1 1 72 72 LEU H H 72 7.577 7.577 7.473 0.104 18250 7140 1 8 . 1 1 73 73 HIS HA H 73 4.644 4.644 4.399 0.245 18250 7141 1 8 . 1 1 73 73 HIS C C 73 174.452 174.452 174.818 -0.366 18250 7142 1 8 . 1 1 73 73 HIS CA C 73 54.964 54.964 56.979 -2.015 18250 7143 1 8 . 1 1 73 73 HIS CB C 73 28.747 28.747 29.578 -0.831 18250 7144 1 8 . 1 1 74 74 ILE N N 74 122.470 122.470 129.655 -7.185 18250 7145 1 8 . 1 1 74 74 ILE HA H 74 4.207 4.207 4.238 -0.031 18250 7146 1 8 . 1 1 74 74 ILE CA C 74 61.962 61.962 60.473 1.489 18250 7147 1 8 . 1 1 74 74 ILE CB C 74 38.952 38.952 38.027 0.925 18250 7148 1 8 . 1 1 74 74 ILE H H 74 8.767 8.767 8.569 0.198 18250 7149 1 8 . 1 1 75 75 THR N N 75 120.535 120.535 125.965 -5.430 18250 7150 1 8 . 1 1 75 75 THR HA H 75 4.325 4.325 4.776 -0.451 18250 7151 1 8 . 1 1 75 75 THR H H 75 7.953 7.953 7.939 0.014 18250 7152 1 8 . 1 1 77 77 GLY CA C 77 44.791 44.791 44.848 -0.057 18250 7153 1 8 . 1 1 78 78 THR N N 78 130.040 130.040 119.435 10.605 18250 7154 1 8 . 1 1 78 78 THR HA H 78 4.147 4.147 4.079 0.068 18250 7155 1 8 . 1 1 78 78 THR H H 78 8.795 8.795 8.186 0.609 18250 7156 1 8 . 1 1 79 79 ALA HA H 79 4.827 4.827 4.831 -0.004 18250 7157 1 8 . 1 1 79 79 ALA C C 79 177.644 177.644 177.138 0.506 18250 7158 1 8 . 1 1 79 79 ALA CA C 79 51.117 51.117 50.406 0.711 18250 7159 1 8 . 1 1 79 79 ALA CB C 79 21.518 21.518 21.223 0.295 18250 7160 1 8 . 1 1 80 80 TYR N N 80 121.374 121.374 120.249 1.125 18250 7161 1 8 . 1 1 80 80 TYR HA H 80 4.648 4.648 3.083 1.565 18250 7162 1 8 . 1 1 80 80 TYR C C 80 176.560 176.560 176.963 -0.403 18250 7163 1 8 . 1 1 80 80 TYR CA C 80 60.846 60.846 60.934 -0.088 18250 7164 1 8 . 1 1 80 80 TYR CB C 80 38.165 38.165 38.013 0.152 18250 7165 1 8 . 1 1 80 80 TYR H H 80 8.858 8.858 8.527 0.331 18250 7166 1 8 . 1 1 81 81 GLN N N 81 115.124 115.124 118.392 -3.268 18250 7167 1 8 . 1 1 81 81 GLN HA H 81 3.802 3.802 3.717 0.085 18250 7168 1 8 . 1 1 81 81 GLN C C 81 178.330 178.330 177.562 0.768 18250 7169 1 8 . 1 1 81 81 GLN CA C 81 59.911 59.911 59.394 0.517 18250 7170 1 8 . 1 1 81 81 GLN CB C 81 28.016 28.016 27.960 0.056 18250 7171 1 8 . 1 1 81 81 GLN H H 81 8.532 8.532 8.267 0.265 18250 7172 1 8 . 1 1 82 82 SER N N 82 114.423 114.423 115.896 -1.473 18250 7173 1 8 . 1 1 82 82 SER HA H 82 4.253 4.253 4.020 0.233 18250 7174 1 8 . 1 1 82 82 SER CA C 82 62.089 62.089 61.282 0.807 18250 7175 1 8 . 1 1 82 82 SER CB C 82 63.338 63.338 62.317 1.021 18250 7176 1 8 . 1 1 82 82 SER H H 82 7.356 7.356 7.795 -0.439 18250 7177 1 8 . 1 1 83 83 PHE HA H 83 3.937 3.937 3.961 -0.024 18250 7178 1 8 . 1 1 83 83 PHE C C 83 175.136 175.136 176.574 -1.438 18250 7179 1 8 . 1 1 83 83 PHE CA C 83 61.335 61.335 60.773 0.562 18250 7180 1 8 . 1 1 83 83 PHE CB C 83 39.433 39.433 39.048 0.385 18250 7181 1 8 . 1 1 84 84 GLU N N 84 119.917 119.917 119.144 0.773 18250 7182 1 8 . 1 1 84 84 GLU HA H 84 3.331 3.331 3.398 -0.067 18250 7183 1 8 . 1 1 84 84 GLU C C 84 177.012 177.012 178.341 -1.329 18250 7184 1 8 . 1 1 84 84 GLU CA C 84 59.146 59.146 59.304 -0.158 18250 7185 1 8 . 1 1 84 84 GLU CB C 84 30.460 30.460 29.043 1.417 18250 7186 1 8 . 1 1 84 84 GLU H H 84 8.659 8.659 8.351 0.308 18250 7187 1 8 . 1 1 85 85 GLN N N 85 115.027 115.027 117.060 -2.033 18250 7188 1 8 . 1 1 85 85 GLN HA H 85 3.888 3.888 3.940 -0.052 18250 7189 1 8 . 1 1 85 85 GLN C C 85 178.571 178.571 177.760 0.811 18250 7190 1 8 . 1 1 85 85 GLN CA C 85 59.103 59.103 58.291 0.812 18250 7191 1 8 . 1 1 85 85 GLN CB C 85 28.586 28.586 28.564 0.022 18250 7192 1 8 . 1 1 85 85 GLN H H 85 7.592 7.592 7.669 -0.077 18250 7193 1 8 . 1 1 86 86 VAL N N 86 118.481 118.481 116.542 1.939 18250 7194 1 8 . 1 1 86 86 VAL HA H 86 3.644 3.644 3.787 -0.143 18250 7195 1 8 . 1 1 86 86 VAL C C 86 177.898 177.898 178.128 -0.230 18250 7196 1 8 . 1 1 86 86 VAL CA C 86 66.100 66.100 64.610 1.490 18250 7197 1 8 . 1 1 86 86 VAL CB C 86 31.799 31.799 32.384 -0.585 18250 7198 1 8 . 1 1 86 86 VAL H H 86 7.164 7.164 7.012 0.152 18250 7199 1 8 . 1 1 87 87 VAL N N 87 119.825 119.825 118.070 1.755 18250 7200 1 8 . 1 1 87 87 VAL HA H 87 3.028 3.028 3.497 -0.469 18250 7201 1 8 . 1 1 87 87 VAL C C 87 177.853 177.853 177.099 0.754 18250 7202 1 8 . 1 1 87 87 VAL CA C 87 66.394 66.394 64.824 1.570 18250 7203 1 8 . 1 1 87 87 VAL CB C 87 31.044 31.044 30.687 0.357 18250 7204 1 8 . 1 1 87 87 VAL H H 87 7.980 7.980 7.571 0.409 18250 7205 1 8 . 1 1 88 88 ASN N N 88 117.625 117.625 118.442 -0.817 18250 7206 1 8 . 1 1 88 88 ASN HA H 88 4.283 4.283 4.576 -0.293 18250 7207 1 8 . 1 1 88 88 ASN C C 88 178.987 178.987 177.073 1.914 18250 7208 1 8 . 1 1 88 88 ASN CA C 88 55.449 55.449 55.544 -0.095 18250 7209 1 8 . 1 1 88 88 ASN CB C 88 37.329 37.329 38.804 -1.475 18250 7210 1 8 . 1 1 88 88 ASN H H 88 8.437 8.437 8.294 0.143 18250 7211 1 8 . 1 1 89 89 GLU N N 89 118.940 118.940 119.795 -0.855 18250 7212 1 8 . 1 1 89 89 GLU HA H 89 4.001 4.001 4.058 -0.057 18250 7213 1 8 . 1 1 89 89 GLU C C 89 179.305 179.305 178.639 0.666 18250 7214 1 8 . 1 1 89 89 GLU CA C 89 59.016 59.016 58.727 0.289 18250 7215 1 8 . 1 1 89 89 GLU CB C 89 29.120 29.120 29.507 -0.387 18250 7216 1 8 . 1 1 89 89 GLU H H 89 7.377 7.377 7.887 -0.510 18250 7217 1 8 . 1 1 90 90 LEU N N 90 120.797 120.797 119.882 0.915 18250 7218 1 8 . 1 1 90 90 LEU HA H 90 3.821 3.821 3.981 -0.160 18250 7219 1 8 . 1 1 90 90 LEU C C 90 178.249 178.249 178.424 -0.175 18250 7220 1 8 . 1 1 90 90 LEU CA C 90 57.491 57.491 57.440 0.051 18250 7221 1 8 . 1 1 90 90 LEU CB C 90 41.502 41.502 41.774 -0.272 18250 7222 1 8 . 1 1 90 90 LEU H H 90 7.608 7.608 7.464 0.144 18250 7223 1 8 . 1 1 91 91 PHE N N 91 113.366 113.366 119.040 -5.674 18250 7224 1 8 . 1 1 91 91 PHE HA H 91 4.532 4.532 4.070 0.462 18250 7225 1 8 . 1 1 91 91 PHE C C 91 176.475 176.475 177.944 -1.469 18250 7226 1 8 . 1 1 91 91 PHE CA C 91 57.504 57.504 61.168 -3.664 18250 7227 1 8 . 1 1 91 91 PHE CB C 91 39.470 39.470 39.267 0.203 18250 7228 1 8 . 1 1 91 91 PHE H H 91 7.024 7.024 7.691 -0.667 18250 7229 1 8 . 1 1 92 92 ARG N N 92 123.994 123.994 119.967 4.027 18250 7230 1 8 . 1 1 92 92 ARG HA H 92 3.965 3.965 4.217 -0.252 18250 7231 1 8 . 1 1 92 92 ARG C C 92 177.152 177.152 177.006 0.146 18250 7232 1 8 . 1 1 92 92 ARG CA C 92 59.743 59.743 57.706 2.037 18250 7233 1 8 . 1 1 92 92 ARG CB C 92 30.171 30.171 29.946 0.225 18250 7234 1 8 . 1 1 92 92 ARG H H 92 7.237 7.237 8.333 -1.096 18250 7235 1 8 . 1 1 93 93 ASP N N 93 116.866 116.866 116.738 0.128 18250 7236 1 8 . 1 1 93 93 ASP HA H 93 4.823 4.823 4.671 0.152 18250 7237 1 8 . 1 1 93 93 ASP C C 93 175.589 175.589 176.089 -0.500 18250 7238 1 8 . 1 1 93 93 ASP CA C 93 54.068 54.068 53.534 0.534 18250 7239 1 8 . 1 1 93 93 ASP CB C 93 40.755 40.755 41.158 -0.403 18250 7240 1 8 . 1 1 93 93 ASP H H 93 8.711 8.711 7.681 1.030 18250 7241 1 8 . 1 1 94 94 GLY N N 94 108.978 108.978 108.010 0.968 18250 7242 1 8 . 1 1 94 94 GLY C C 94 172.635 172.635 174.913 -2.278 18250 7243 1 8 . 1 1 94 94 GLY CA C 94 43.818 43.818 44.343 -0.524 18250 7244 1 8 . 1 1 94 94 GLY H H 94 7.582 7.582 7.427 0.155 18250 7245 1 8 . 1 1 95 95 VAL N N 95 120.777 120.777 119.038 1.739 18250 7246 1 8 . 1 1 95 95 VAL HA H 95 3.545 3.545 3.433 0.112 18250 7247 1 8 . 1 1 95 95 VAL C C 95 174.452 174.452 174.334 0.118 18250 7248 1 8 . 1 1 95 95 VAL CA C 95 62.875 62.875 63.583 -0.708 18250 7249 1 8 . 1 1 95 95 VAL CB C 95 32.148 32.148 31.017 1.131 18250 7250 1 8 . 1 1 95 95 VAL H H 95 8.293 8.293 7.275 1.018 18250 7251 1 8 . 1 1 96 96 ASN N N 96 116.198 116.198 125.421 -9.223 18250 7252 1 8 . 1 1 96 96 ASN HA H 96 4.070 4.070 4.426 -0.356 18250 7253 1 8 . 1 1 96 96 ASN C C 96 175.243 175.243 175.423 -0.180 18250 7254 1 8 . 1 1 96 96 ASN CA C 96 51.784 51.784 51.479 0.305 18250 7255 1 8 . 1 1 96 96 ASN CB C 96 39.849 39.849 39.501 0.348 18250 7256 1 8 . 1 1 96 96 ASN H H 96 6.401 6.401 7.762 -1.361 18250 7257 1 8 . 1 1 97 97 TRP N N 97 118.776 118.776 119.918 -1.142 18250 7258 1 8 . 1 1 97 97 TRP HA H 97 4.588 4.588 4.339 0.249 18250 7259 1 8 . 1 1 97 97 TRP C C 97 178.207 178.207 178.595 -0.388 18250 7260 1 8 . 1 1 97 97 TRP CA C 97 61.083 61.083 59.984 1.099 18250 7261 1 8 . 1 1 97 97 TRP CB C 97 30.676 30.676 29.337 1.339 18250 7262 1 8 . 1 1 97 97 TRP H H 97 8.530 8.530 8.707 -0.177 18250 7263 1 8 . 1 1 98 98 GLY N N 98 106.573 106.573 107.102 -0.529 18250 7264 1 8 . 1 1 98 98 GLY C C 98 177.485 177.485 175.905 1.580 18250 7265 1 8 . 1 1 98 98 GLY CA C 98 47.505 47.505 46.907 0.598 18250 7266 1 8 . 1 1 98 98 GLY H H 98 8.634 8.634 8.843 -0.209 18250 7267 1 8 . 1 1 99 99 ARG N N 99 121.627 121.627 121.378 0.249 18250 7268 1 8 . 1 1 99 99 ARG HA H 99 3.999 3.999 3.987 0.012 18250 7269 1 8 . 1 1 99 99 ARG C C 99 177.693 177.693 178.595 -0.902 18250 7270 1 8 . 1 1 99 99 ARG CA C 99 58.487 58.487 57.565 0.922 18250 7271 1 8 . 1 1 99 99 ARG CB C 99 31.363 31.363 29.451 1.913 18250 7272 1 8 . 1 1 99 99 ARG H H 99 8.214 8.214 7.708 0.506 18250 7273 1 8 . 1 1 100 100 ILE N N 100 121.379 121.379 120.017 1.362 18250 7274 1 8 . 1 1 100 100 ILE HA H 100 3.986 3.986 3.925 0.061 18250 7275 1 8 . 1 1 100 100 ILE C C 100 178.143 178.143 177.921 0.222 18250 7276 1 8 . 1 1 100 100 ILE CA C 100 67.148 67.148 64.924 2.224 18250 7277 1 8 . 1 1 100 100 ILE CB C 100 37.099 37.099 37.587 -0.488 18250 7278 1 8 . 1 1 100 100 ILE H H 100 7.810 7.810 7.059 0.751 18250 7279 1 8 . 1 1 101 101 VAL N N 101 121.444 121.444 120.255 1.189 18250 7280 1 8 . 1 1 101 101 VAL HA H 101 3.458 3.458 3.425 0.033 18250 7281 1 8 . 1 1 101 101 VAL C C 101 177.752 177.752 177.465 0.287 18250 7282 1 8 . 1 1 101 101 VAL CA C 101 68.165 68.165 67.069 1.096 18250 7283 1 8 . 1 1 101 101 VAL CB C 101 31.423 31.423 30.724 0.699 18250 7284 1 8 . 1 1 101 101 VAL H H 101 8.378 8.378 7.606 0.772 18250 7285 1 8 . 1 1 102 102 ALA N N 102 121.864 121.864 121.851 0.013 18250 7286 1 8 . 1 1 102 102 ALA HA H 102 3.174 3.174 3.572 -0.398 18250 7287 1 8 . 1 1 102 102 ALA C C 102 178.223 178.223 178.910 -0.687 18250 7288 1 8 . 1 1 102 102 ALA CA C 102 55.256 55.256 54.601 0.655 18250 7289 1 8 . 1 1 102 102 ALA CB C 102 18.631 18.631 17.587 1.044 18250 7290 1 8 . 1 1 102 102 ALA H H 102 7.693 7.693 7.607 0.086 18250 7291 1 8 . 1 1 103 103 PHE N N 103 119.560 119.560 119.254 0.306 18250 7292 1 8 . 1 1 103 103 PHE HA H 103 3.986 3.986 4.229 -0.243 18250 7293 1 8 . 1 1 103 103 PHE C C 103 176.264 176.264 177.309 -1.045 18250 7294 1 8 . 1 1 103 103 PHE CA C 103 60.811 60.811 61.645 -0.834 18250 7295 1 8 . 1 1 103 103 PHE CB C 103 38.585 38.585 39.242 -0.657 18250 7296 1 8 . 1 1 103 103 PHE H H 103 8.096 8.096 7.908 0.188 18250 7297 1 8 . 1 1 104 104 PHE N N 104 120.694 120.694 117.415 3.279 18250 7298 1 8 . 1 1 104 104 PHE HA H 104 3.347 3.347 4.018 -0.671 18250 7299 1 8 . 1 1 104 104 PHE C C 104 177.604 177.604 177.828 -0.224 18250 7300 1 8 . 1 1 104 104 PHE CA C 104 62.995 62.995 60.503 2.492 18250 7301 1 8 . 1 1 104 104 PHE CB C 104 36.626 36.626 38.495 -1.869 18250 7302 1 8 . 1 1 104 104 PHE H H 104 8.087 8.087 8.265 -0.178 18250 7303 1 8 . 1 1 105 105 SER N N 105 114.775 114.775 115.464 -0.689 18250 7304 1 8 . 1 1 105 105 SER HA H 105 4.444 4.444 4.448 -0.004 18250 7305 1 8 . 1 1 105 105 SER C C 105 177.605 177.605 177.279 0.326 18250 7306 1 8 . 1 1 105 105 SER CA C 105 63.767 63.767 61.215 2.552 18250 7307 1 8 . 1 1 105 105 SER CB C 105 63.409 63.409 62.746 0.663 18250 7308 1 8 . 1 1 105 105 SER H H 105 8.514 8.514 8.168 0.346 18250 7309 1 8 . 1 1 106 106 PHE N N 106 124.632 124.632 121.684 2.948 18250 7310 1 8 . 1 1 106 106 PHE HA H 106 4.071 4.071 4.294 -0.223 18250 7311 1 8 . 1 1 106 106 PHE C C 106 176.639 176.639 178.175 -1.536 18250 7312 1 8 . 1 1 106 106 PHE CA C 106 60.185 60.185 60.244 -0.059 18250 7313 1 8 . 1 1 106 106 PHE CB C 106 38.639 38.639 37.978 0.661 18250 7314 1 8 . 1 1 106 106 PHE H H 106 9.146 9.146 8.395 0.751 18250 7315 1 8 . 1 1 107 107 GLY N N 107 106.495 106.495 106.610 -0.115 18250 7316 1 8 . 1 1 107 107 GLY C C 107 176.647 176.647 176.341 0.306 18250 7317 1 8 . 1 1 107 107 GLY CA C 107 47.998 47.998 47.144 0.854 18250 7318 1 8 . 1 1 107 107 GLY H H 107 8.063 8.063 7.876 0.187 18250 7319 1 8 . 1 1 108 108 GLY N N 108 107.786 107.786 108.729 -0.943 18250 7320 1 8 . 1 1 108 108 GLY C C 108 174.589 174.589 175.099 -0.510 18250 7321 1 8 . 1 1 108 108 GLY CA C 108 47.931 47.931 46.664 1.267 18250 7322 1 8 . 1 1 108 108 GLY H H 108 8.900 8.900 8.149 0.751 18250 7323 1 8 . 1 1 109 109 ALA N N 109 124.959 124.959 123.652 1.307 18250 7324 1 8 . 1 1 109 109 ALA HA H 109 4.216 4.216 4.401 -0.185 18250 7325 1 8 . 1 1 109 109 ALA C C 109 181.113 181.113 179.045 2.068 18250 7326 1 8 . 1 1 109 109 ALA CA C 109 55.098 55.098 54.086 1.012 18250 7327 1 8 . 1 1 109 109 ALA CB C 109 18.418 18.418 19.437 -1.019 18250 7328 1 8 . 1 1 109 109 ALA H H 109 8.343 8.343 7.660 0.683 18250 7329 1 8 . 1 1 110 110 LEU N N 110 119.336 119.336 119.880 -0.544 18250 7330 1 8 . 1 1 110 110 LEU HA H 110 4.017 4.017 3.955 0.062 18250 7331 1 8 . 1 1 110 110 LEU C C 110 180.100 180.100 179.080 1.020 18250 7332 1 8 . 1 1 110 110 LEU CA C 110 57.400 57.400 58.248 -0.848 18250 7333 1 8 . 1 1 110 110 LEU CB C 110 42.562 42.562 41.880 0.682 18250 7334 1 8 . 1 1 110 110 LEU H H 110 8.296 8.296 8.560 -0.264 18250 7335 1 8 . 1 1 111 111 CYS N N 111 119.466 119.466 116.651 2.815 18250 7336 1 8 . 1 1 111 111 CYS HA H 111 3.818 3.818 4.050 -0.232 18250 7337 1 8 . 1 1 111 111 CYS C C 111 175.954 175.954 176.894 -0.940 18250 7338 1 8 . 1 1 111 111 CYS CA C 111 64.665 64.665 62.828 1.837 18250 7339 1 8 . 1 1 111 111 CYS CB C 111 26.724 26.724 26.430 0.294 18250 7340 1 8 . 1 1 111 111 CYS H H 111 8.207 8.207 8.716 -0.509 18250 7341 1 8 . 1 1 112 112 VAL N N 112 119.086 119.086 122.662 -3.576 18250 7342 1 8 . 1 1 112 112 VAL HA H 112 3.379 3.379 3.904 -0.525 18250 7343 1 8 . 1 1 112 112 VAL C C 112 177.356 177.356 178.369 -1.013 18250 7344 1 8 . 1 1 112 112 VAL CA C 112 67.316 67.316 66.446 0.870 18250 7345 1 8 . 1 1 112 112 VAL CB C 112 31.944 31.944 31.597 0.347 18250 7346 1 8 . 1 1 112 112 VAL H H 112 8.110 8.110 7.423 0.687 18250 7347 1 8 . 1 1 113 113 GLU N N 113 119.448 119.448 118.968 0.480 18250 7348 1 8 . 1 1 113 113 GLU HA H 113 4.094 4.094 4.023 0.071 18250 7349 1 8 . 1 1 113 113 GLU C C 113 178.264 178.264 178.935 -0.671 18250 7350 1 8 . 1 1 113 113 GLU CA C 113 59.336 59.336 59.285 0.051 18250 7351 1 8 . 1 1 113 113 GLU CB C 113 29.326 29.326 28.834 0.492 18250 7352 1 8 . 1 1 113 113 GLU H H 113 8.190 8.190 8.046 0.144 18250 7353 1 8 . 1 1 114 114 SER N N 114 113.847 113.847 116.755 -2.908 18250 7354 1 8 . 1 1 114 114 SER HA H 114 3.886 3.886 4.183 -0.297 18250 7355 1 8 . 1 1 114 114 SER C C 114 175.485 175.485 176.129 -0.644 18250 7356 1 8 . 1 1 114 114 SER CA C 114 63.249 63.249 62.349 0.900 18250 7357 1 8 . 1 1 114 114 SER CB C 114 62.229 62.229 62.998 -0.769 18250 7358 1 8 . 1 1 114 114 SER H H 114 7.757 7.757 7.933 -0.176 18250 7359 1 8 . 1 1 115 115 VAL N N 115 121.093 121.093 121.643 -0.550 18250 7360 1 8 . 1 1 115 115 VAL HA H 115 3.201 3.201 3.317 -0.116 18250 7361 1 8 . 1 1 115 115 VAL C C 115 179.471 179.471 177.646 1.825 18250 7362 1 8 . 1 1 115 115 VAL CA C 115 66.746 66.746 66.232 0.514 18250 7363 1 8 . 1 1 115 115 VAL CB C 115 31.412 31.412 31.085 0.327 18250 7364 1 8 . 1 1 115 115 VAL H H 115 7.423 7.423 7.536 -0.113 18250 7365 1 8 . 1 1 116 116 ASP N N 116 123.023 123.023 121.122 1.901 18250 7366 1 8 . 1 1 116 116 ASP HA H 116 4.398 4.398 4.352 0.046 18250 7367 1 8 . 1 1 116 116 ASP C C 116 178.029 178.029 177.254 0.775 18250 7368 1 8 . 1 1 116 116 ASP CA C 116 57.471 57.471 56.694 0.777 18250 7369 1 8 . 1 1 116 116 ASP CB C 116 41.004 41.004 41.101 -0.097 18250 7370 1 8 . 1 1 116 116 ASP H H 116 8.365 8.365 8.274 0.091 18250 7371 1 8 . 1 1 117 117 LYS N N 117 116.212 116.212 118.205 -1.993 18250 7372 1 8 . 1 1 117 117 LYS HA H 117 4.384 4.384 4.318 0.066 18250 7373 1 8 . 1 1 117 117 LYS C C 117 175.049 175.049 175.400 -0.351 18250 7374 1 8 . 1 1 117 117 LYS CA C 117 55.685 55.685 56.217 -0.532 18250 7375 1 8 . 1 1 117 117 LYS CB C 117 32.317 32.317 32.647 -0.330 18250 7376 1 8 . 1 1 117 117 LYS H H 117 7.698 7.698 7.309 0.389 18250 7377 1 8 . 1 1 118 118 GLU N N 118 114.271 114.271 113.699 0.572 18250 7378 1 8 . 1 1 118 118 GLU HA H 118 3.973 3.973 3.785 0.188 18250 7379 1 8 . 1 1 118 118 GLU C C 118 176.065 176.065 175.682 0.383 18250 7380 1 8 . 1 1 118 118 GLU CA C 118 57.766 57.766 57.915 -0.149 18250 7381 1 8 . 1 1 118 118 GLU CB C 118 26.540 26.540 26.821 -0.281 18250 7382 1 8 . 1 1 118 118 GLU H H 118 7.959 7.959 8.041 -0.082 18250 7383 1 8 . 1 1 119 119 MET N N 119 119.260 119.260 118.843 0.417 18250 7384 1 8 . 1 1 119 119 MET HA H 119 4.822 4.822 4.526 0.296 18250 7385 1 8 . 1 1 119 119 MET C C 119 176.817 176.817 175.590 1.227 18250 7386 1 8 . 1 1 119 119 MET CA C 119 53.675 53.675 54.444 -0.769 18250 7387 1 8 . 1 1 119 119 MET CB C 119 31.867 31.867 30.694 1.173 18250 7388 1 8 . 1 1 119 119 MET H H 119 8.542 8.542 8.419 0.123 18250 7389 1 8 . 1 1 120 120 GLN N N 120 119.766 119.766 120.311 -0.545 18250 7390 1 8 . 1 1 120 120 GLN HA H 120 3.489 3.489 3.875 -0.386 18250 7391 1 8 . 1 1 120 120 GLN C C 120 177.471 177.471 177.845 -0.374 18250 7392 1 8 . 1 1 120 120 GLN CA C 120 60.166 60.166 58.363 1.803 18250 7393 1 8 . 1 1 120 120 GLN CB C 120 27.667 27.667 28.654 -0.987 18250 7394 1 8 . 1 1 120 120 GLN H H 120 8.796 8.796 7.811 0.985 18250 7395 1 8 . 1 1 121 121 VAL N N 121 117.292 117.292 115.081 2.211 18250 7396 1 8 . 1 1 121 121 VAL HA H 121 4.056 4.056 3.824 0.232 18250 7397 1 8 . 1 1 121 121 VAL C C 121 175.676 175.676 176.617 -0.941 18250 7398 1 8 . 1 1 121 121 VAL CA C 121 63.612 63.612 64.598 -0.986 18250 7399 1 8 . 1 1 121 121 VAL CB C 121 31.494 31.494 31.563 -0.069 18250 7400 1 8 . 1 1 121 121 VAL H H 121 7.959 7.959 7.843 0.116 18250 7401 1 8 . 1 1 122 122 LEU N N 122 117.436 117.436 120.531 -3.095 18250 7402 1 8 . 1 1 122 122 LEU HA H 122 3.872 3.872 3.956 -0.084 18250 7403 1 8 . 1 1 122 122 LEU C C 122 177.962 177.962 178.505 -0.543 18250 7404 1 8 . 1 1 122 122 LEU CA C 122 55.528 55.528 57.824 -2.296 18250 7405 1 8 . 1 1 122 122 LEU CB C 122 41.369 41.369 41.469 -0.100 18250 7406 1 8 . 1 1 122 122 LEU H H 122 7.887 7.887 7.054 0.833 18250 7407 1 8 . 1 1 123 123 VAL N N 123 120.028 120.028 118.335 1.693 18250 7408 1 8 . 1 1 123 123 VAL HA H 123 3.379 3.379 3.615 -0.236 18250 7409 1 8 . 1 1 123 123 VAL C C 123 177.040 177.040 177.423 -0.383 18250 7410 1 8 . 1 1 123 123 VAL CA C 123 67.817 67.817 65.962 1.855 18250 7411 1 8 . 1 1 123 123 VAL CB C 123 30.889 30.889 30.921 -0.032 18250 7412 1 8 . 1 1 123 123 VAL H H 123 7.444 7.444 7.631 -0.187 18250 7413 1 8 . 1 1 124 124 SER N N 124 111.168 111.168 114.356 -3.188 18250 7414 1 8 . 1 1 124 124 SER HA H 124 3.979 3.979 4.270 -0.291 18250 7415 1 8 . 1 1 124 124 SER C C 124 177.070 177.070 176.207 0.863 18250 7416 1 8 . 1 1 124 124 SER CA C 124 61.254 61.254 61.381 -0.127 18250 7417 1 8 . 1 1 124 124 SER CB C 124 62.403 62.403 63.057 -0.654 18250 7418 1 8 . 1 1 124 124 SER H H 124 8.394 8.394 7.617 0.777 18250 7419 1 8 . 1 1 125 125 ARG N N 125 123.526 123.526 120.476 3.050 18250 7420 1 8 . 1 1 125 125 ARG HA H 125 3.710 3.710 3.928 -0.218 18250 7421 1 8 . 1 1 125 125 ARG C C 125 175.751 175.751 177.690 -1.939 18250 7422 1 8 . 1 1 125 125 ARG CA C 125 58.738 58.738 58.097 0.641 18250 7423 1 8 . 1 1 125 125 ARG CB C 125 29.845 29.845 29.129 0.716 18250 7424 1 8 . 1 1 125 125 ARG H H 125 6.696 6.696 7.316 -0.620 18250 7425 1 8 . 1 1 126 126 ILE N N 126 118.795 118.795 121.076 -2.281 18250 7426 1 8 . 1 1 126 126 ILE HA H 126 2.855 2.855 2.970 -0.115 18250 7427 1 8 . 1 1 126 126 ILE C C 126 177.974 177.974 177.208 0.766 18250 7428 1 8 . 1 1 126 126 ILE CA C 126 64.959 64.959 64.901 0.058 18250 7429 1 8 . 1 1 126 126 ILE CB C 126 37.666 37.666 37.252 0.414 18250 7430 1 8 . 1 1 126 126 ILE H H 126 8.124 8.124 8.079 0.045 18250 7431 1 8 . 1 1 127 127 ALA N N 127 119.674 119.674 121.288 -1.614 18250 7432 1 8 . 1 1 127 127 ALA HA H 127 3.902 3.902 3.862 0.040 18250 7433 1 8 . 1 1 127 127 ALA C C 127 179.395 179.395 179.073 0.322 18250 7434 1 8 . 1 1 127 127 ALA CA C 127 55.287 55.287 55.036 0.251 18250 7435 1 8 . 1 1 127 127 ALA CB C 127 18.520 18.520 17.945 0.575 18250 7436 1 8 . 1 1 127 127 ALA H H 127 7.711 7.711 7.520 0.191 18250 7437 1 8 . 1 1 128 128 ALA N N 128 120.850 120.850 121.587 -0.737 18250 7438 1 8 . 1 1 128 128 ALA HA H 128 4.173 4.173 4.103 0.070 18250 7439 1 8 . 1 1 128 128 ALA C C 128 181.038 181.038 179.596 1.442 18250 7440 1 8 . 1 1 128 128 ALA CA C 128 55.261 55.261 54.882 0.379 18250 7441 1 8 . 1 1 128 128 ALA CB C 128 17.822 17.822 18.151 -0.329 18250 7442 1 8 . 1 1 128 128 ALA H H 128 7.356 7.356 7.294 0.062 18250 7443 1 8 . 1 1 129 129 TRP N N 129 121.648 121.648 119.164 2.484 18250 7444 1 8 . 1 1 129 129 TRP C C 129 179.558 179.558 179.028 0.530 18250 7445 1 8 . 1 1 129 129 TRP CA C 129 57.788 57.788 59.593 -1.804 18250 7446 1 8 . 1 1 129 129 TRP CB C 129 28.918 28.918 28.315 0.603 18250 7447 1 8 . 1 1 129 129 TRP H H 129 9.087 9.087 8.074 1.013 18250 7448 1 8 . 1 1 130 130 MET N N 130 117.535 117.535 118.075 -0.540 18250 7449 1 8 . 1 1 130 130 MET HA H 130 4.345 4.345 4.524 -0.179 18250 7450 1 8 . 1 1 130 130 MET C C 130 178.170 178.170 178.799 -0.629 18250 7451 1 8 . 1 1 130 130 MET CA C 130 60.179 60.179 59.740 0.439 18250 7452 1 8 . 1 1 130 130 MET CB C 130 34.928 34.928 32.226 2.702 18250 7453 1 8 . 1 1 130 130 MET H H 130 9.031 9.031 8.473 0.558 18250 7454 1 8 . 1 1 131 131 ALA N N 131 120.973 120.973 121.990 -1.017 18250 7455 1 8 . 1 1 131 131 ALA HA H 131 4.100 4.100 4.148 -0.048 18250 7456 1 8 . 1 1 131 131 ALA C C 131 176.249 176.249 179.638 -3.389 18250 7457 1 8 . 1 1 131 131 ALA CA C 131 56.176 56.176 55.414 0.762 18250 7458 1 8 . 1 1 131 131 ALA CB C 131 17.634 17.634 18.157 -0.522 18250 7459 1 8 . 1 1 131 131 ALA H H 131 8.274 8.274 8.436 -0.162 18250 7460 1 8 . 1 1 132 132 THR N N 132 117.211 117.211 117.423 -0.212 18250 7461 1 8 . 1 1 132 132 THR HA H 132 3.959 3.959 3.978 -0.019 18250 7462 1 8 . 1 1 132 132 THR C C 132 175.035 175.035 176.546 -1.511 18250 7463 1 8 . 1 1 132 132 THR CA C 132 67.312 67.312 67.565 -0.253 18250 7464 1 8 . 1 1 132 132 THR CB C 132 69.177 69.177 68.887 0.290 18250 7465 1 8 . 1 1 132 132 THR H H 132 8.648 8.648 8.209 0.439 18250 7466 1 8 . 1 1 133 133 TYR N N 133 123.705 123.705 123.837 -0.132 18250 7467 1 8 . 1 1 133 133 TYR HA H 133 4.018 4.018 4.447 -0.429 18250 7468 1 8 . 1 1 133 133 TYR C C 133 179.551 179.551 177.742 1.809 18250 7469 1 8 . 1 1 133 133 TYR CA C 133 63.577 63.577 62.038 1.539 18250 7470 1 8 . 1 1 133 133 TYR CB C 133 39.312 39.312 38.857 0.455 18250 7471 1 8 . 1 1 133 133 TYR H H 133 8.964 8.964 8.841 0.123 18250 7472 1 8 . 1 1 134 134 LEU N N 134 119.671 119.671 120.516 -0.845 18250 7473 1 8 . 1 1 134 134 LEU HA H 134 3.832 3.832 3.946 -0.114 18250 7474 1 8 . 1 1 134 134 LEU C C 134 178.321 178.321 178.393 -0.072 18250 7475 1 8 . 1 1 134 134 LEU CA C 134 59.586 59.586 58.335 1.251 18250 7476 1 8 . 1 1 134 134 LEU CB C 134 42.898 42.898 42.017 0.881 18250 7477 1 8 . 1 1 134 134 LEU H H 134 8.853 8.853 8.800 0.053 18250 7478 1 8 . 1 1 135 135 ASN N N 135 117.661 117.661 116.347 1.314 18250 7479 1 8 . 1 1 135 135 ASN HA H 135 4.353 4.353 4.563 -0.210 18250 7480 1 8 . 1 1 135 135 ASN C C 135 176.407 176.407 176.935 -0.528 18250 7481 1 8 . 1 1 135 135 ASN CA C 135 56.883 56.883 56.009 0.874 18250 7482 1 8 . 1 1 135 135 ASN CB C 135 39.219 39.219 38.685 0.534 18250 7483 1 8 . 1 1 135 135 ASN H H 135 8.455 8.455 8.597 -0.142 18250 7484 1 8 . 1 1 136 136 ASP N N 136 115.939 115.939 117.905 -1.966 18250 7485 1 8 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.544 -0.209 18250 7486 1 8 . 1 1 136 136 ASP C C 136 177.798 177.798 177.693 0.105 18250 7487 1 8 . 1 1 136 136 ASP CA C 136 56.501 56.501 56.265 0.236 18250 7488 1 8 . 1 1 136 136 ASP CB C 136 40.861 40.861 41.531 -0.670 18250 7489 1 8 . 1 1 136 136 ASP H H 136 8.580 8.580 8.508 0.072 18250 7490 1 8 . 1 1 137 137 HIS N N 137 112.071 112.071 117.086 -5.015 18250 7491 1 8 . 1 1 137 137 HIS HA H 137 4.552 4.552 4.297 0.255 18250 7492 1 8 . 1 1 137 137 HIS C C 137 175.780 175.780 176.833 -1.053 18250 7493 1 8 . 1 1 137 137 HIS CA C 137 56.529 56.529 57.868 -1.339 18250 7494 1 8 . 1 1 137 137 HIS CB C 137 30.890 30.890 31.017 -0.127 18250 7495 1 8 . 1 1 137 137 HIS H H 137 8.202 8.202 7.826 0.376 18250 7496 1 8 . 1 1 138 138 LEU N N 138 117.363 117.363 120.901 -3.538 18250 7497 1 8 . 1 1 138 138 LEU HA H 138 4.550 4.550 4.414 0.136 18250 7498 1 8 . 1 1 138 138 LEU C C 138 176.369 176.369 178.019 -1.650 18250 7499 1 8 . 1 1 138 138 LEU CA C 138 55.696 55.696 56.054 -0.358 18250 7500 1 8 . 1 1 138 138 LEU CB C 138 43.465 43.465 42.038 1.427 18250 7501 1 8 . 1 1 138 138 LEU H H 138 7.306 7.306 8.165 -0.859 18250 7502 1 8 . 1 1 139 139 GLU N N 139 121.917 121.917 120.602 1.315 18250 7503 1 8 . 1 1 139 139 GLU HA H 139 4.351 4.351 3.959 0.392 18250 7504 1 8 . 1 1 139 139 GLU C C 139 173.816 173.816 175.962 -2.146 18250 7505 1 8 . 1 1 139 139 GLU CA C 139 60.529 60.529 61.261 -0.732 18250 7506 1 8 . 1 1 139 139 GLU CB C 139 27.774 27.774 27.258 0.516 18250 7507 1 8 . 1 1 139 139 GLU H H 139 8.706 8.706 8.787 -0.081 18250 7508 1 8 . 1 1 140 140 PRO HA H 140 4.234 4.234 4.164 0.070 18250 7509 1 8 . 1 1 140 140 PRO C C 140 179.159 179.159 178.692 0.467 18250 7510 1 8 . 1 1 140 140 PRO CA C 140 66.582 66.582 65.967 0.615 18250 7511 1 8 . 1 1 140 140 PRO CB C 140 30.747 30.747 31.369 -0.622 18250 7512 1 8 . 1 1 141 141 TRP N N 141 118.367 118.367 119.217 -0.850 18250 7513 1 8 . 1 1 141 141 TRP HA H 141 3.855 3.855 4.574 -0.719 18250 7514 1 8 . 1 1 141 141 TRP C C 141 179.411 179.411 178.343 1.068 18250 7515 1 8 . 1 1 141 141 TRP CA C 141 62.205 62.205 60.621 1.584 18250 7516 1 8 . 1 1 141 141 TRP CB C 141 28.928 28.928 29.432 -0.504 18250 7517 1 8 . 1 1 141 141 TRP H H 141 7.195 7.195 7.622 -0.427 18250 7518 1 8 . 1 1 142 142 ILE N N 142 122.553 122.553 119.946 2.607 18250 7519 1 8 . 1 1 142 142 ILE HA H 142 2.891 2.891 3.282 -0.391 18250 7520 1 8 . 1 1 142 142 ILE C C 142 178.924 178.924 178.047 0.877 18250 7521 1 8 . 1 1 142 142 ILE CA C 142 66.241 66.241 65.436 0.805 18250 7522 1 8 . 1 1 142 142 ILE CB C 142 38.314 38.314 37.434 0.880 18250 7523 1 8 . 1 1 142 142 ILE H H 142 8.511 8.511 8.241 0.270 18250 7524 1 8 . 1 1 143 143 GLN N N 143 116.777 116.777 119.226 -2.449 18250 7525 1 8 . 1 1 143 143 GLN HA H 143 3.920 3.920 3.899 0.021 18250 7526 1 8 . 1 1 143 143 GLN C C 143 179.455 179.455 178.712 0.743 18250 7527 1 8 . 1 1 143 143 GLN CA C 143 58.567 58.567 58.740 -0.173 18250 7528 1 8 . 1 1 143 143 GLN CB C 143 28.068 28.068 28.132 -0.064 18250 7529 1 8 . 1 1 143 143 GLN H H 143 8.514 8.514 8.617 -0.103 18250 7530 1 8 . 1 1 144 144 GLU N N 144 119.467 119.467 119.295 0.172 18250 7531 1 8 . 1 1 144 144 GLU HA H 144 4.084 4.084 3.998 0.086 18250 7532 1 8 . 1 1 144 144 GLU C C 144 176.785 176.785 177.634 -0.849 18250 7533 1 8 . 1 1 144 144 GLU CA C 144 57.902 57.902 58.420 -0.518 18250 7534 1 8 . 1 1 144 144 GLU CB C 144 29.915 29.915 29.200 0.715 18250 7535 1 8 . 1 1 144 144 GLU H H 144 7.646 7.646 7.824 -0.178 18250 7536 1 8 . 1 1 145 145 ASN N N 145 116.904 116.904 115.589 1.315 18250 7537 1 8 . 1 1 145 145 ASN HA H 145 4.454 4.454 4.659 -0.205 18250 7538 1 8 . 1 1 145 145 ASN C C 145 173.890 173.890 174.998 -1.108 18250 7539 1 8 . 1 1 145 145 ASN CA C 145 53.652 53.652 52.965 0.687 18250 7540 1 8 . 1 1 145 145 ASN CB C 145 38.204 38.204 38.812 -0.608 18250 7541 1 8 . 1 1 145 145 ASN H H 145 7.195 7.195 7.355 -0.160 18250 7542 1 8 . 1 1 146 146 GLY N N 146 105.175 105.175 107.055 -1.880 18250 7543 1 8 . 1 1 146 146 GLY C C 146 175.977 175.977 174.250 1.727 18250 7544 1 8 . 1 1 146 146 GLY CA C 146 45.723 45.723 44.963 0.760 18250 7545 1 8 . 1 1 146 146 GLY H H 146 7.438 7.438 8.049 -0.611 18250 7546 1 8 . 1 1 147 147 GLY N N 147 108.769 108.769 107.867 0.902 18250 7547 1 8 . 1 1 147 147 GLY C C 147 173.367 173.367 175.395 -2.028 18250 7548 1 8 . 1 1 147 147 GLY CA C 147 44.532 44.532 44.423 0.109 18250 7549 1 8 . 1 1 147 147 GLY H H 147 8.580 8.580 7.802 0.778 18250 7550 1 8 . 1 1 148 148 TRP N N 148 118.433 118.433 122.416 -3.983 18250 7551 1 8 . 1 1 148 148 TRP HA H 148 4.431 4.431 4.374 0.057 18250 7552 1 8 . 1 1 148 148 TRP C C 148 178.434 178.434 177.515 0.919 18250 7553 1 8 . 1 1 148 148 TRP CA C 148 60.558 60.558 59.917 0.641 18250 7554 1 8 . 1 1 148 148 TRP CB C 148 29.872 29.872 29.543 0.329 18250 7555 1 8 . 1 1 148 148 TRP H H 148 8.715 8.715 8.586 0.129 18250 7556 1 8 . 1 1 149 149 ASP N N 149 118.214 118.214 118.316 -0.102 18250 7557 1 8 . 1 1 149 149 ASP HA H 149 4.446 4.446 4.284 0.162 18250 7558 1 8 . 1 1 149 149 ASP C C 149 179.629 179.629 178.186 1.443 18250 7559 1 8 . 1 1 149 149 ASP CA C 149 57.850 57.850 57.763 0.087 18250 7560 1 8 . 1 1 149 149 ASP CB C 149 40.379 40.379 40.536 -0.157 18250 7561 1 8 . 1 1 149 149 ASP H H 149 8.897 8.897 8.907 -0.010 18250 7562 1 8 . 1 1 150 150 THR N N 150 117.183 117.183 115.516 1.667 18250 7563 1 8 . 1 1 150 150 THR HA H 150 4.010 4.010 3.983 0.027 18250 7564 1 8 . 1 1 150 150 THR C C 150 175.220 175.220 175.934 -0.714 18250 7565 1 8 . 1 1 150 150 THR CA C 150 66.376 66.376 66.234 0.142 18250 7566 1 8 . 1 1 150 150 THR CB C 150 68.344 68.344 68.918 -0.574 18250 7567 1 8 . 1 1 150 150 THR H H 150 7.632 7.632 7.572 0.060 18250 7568 1 8 . 1 1 151 151 PHE N N 151 122.603 122.603 121.454 1.149 18250 7569 1 8 . 1 1 151 151 PHE HA H 151 4.423 4.423 3.493 0.930 18250 7570 1 8 . 1 1 151 151 PHE C C 151 176.703 176.703 176.447 0.256 18250 7571 1 8 . 1 1 151 151 PHE CA C 151 61.847 61.847 59.783 2.064 18250 7572 1 8 . 1 1 151 151 PHE CB C 151 37.952 37.952 38.429 -0.477 18250 7573 1 8 . 1 1 151 151 PHE H H 151 6.638 6.638 7.094 -0.456 18250 7574 1 8 . 1 1 152 152 VAL N N 152 117.675 117.675 119.058 -1.383 18250 7575 1 8 . 1 1 152 152 VAL HA H 152 3.065 3.065 3.431 -0.366 18250 7576 1 8 . 1 1 152 152 VAL C C 152 178.313 178.313 178.554 -0.241 18250 7577 1 8 . 1 1 152 152 VAL CA C 152 66.780 66.780 66.221 0.559 18250 7578 1 8 . 1 1 152 152 VAL CB C 152 31.889 31.889 30.967 0.922 18250 7579 1 8 . 1 1 152 152 VAL H H 152 7.840 7.840 8.630 -0.790 18250 7580 1 8 . 1 1 153 153 GLU N N 153 120.159 120.159 118.255 1.904 18250 7581 1 8 . 1 1 153 153 GLU HA H 153 3.925 3.925 4.027 -0.102 18250 7582 1 8 . 1 1 153 153 GLU C C 153 178.157 178.157 177.304 0.853 18250 7583 1 8 . 1 1 153 153 GLU CA C 153 59.292 59.292 58.444 0.848 18250 7584 1 8 . 1 1 153 153 GLU CB C 153 29.569 29.569 29.474 0.095 18250 7585 1 8 . 1 1 153 153 GLU H H 153 7.484 7.484 8.064 -0.580 18250 7586 1 8 . 1 1 154 154 LEU N N 154 117.518 117.518 117.527 -0.009 18250 7587 1 8 . 1 1 154 154 LEU HA H 154 4.054 4.054 3.992 0.062 18250 7588 1 8 . 1 1 154 154 LEU C C 154 178.563 178.563 177.832 0.731 18250 7589 1 8 . 1 1 154 154 LEU CA C 154 56.844 56.844 56.047 0.797 18250 7590 1 8 . 1 1 154 154 LEU CB C 154 43.739 43.739 42.374 1.365 18250 7591 1 8 . 1 1 154 154 LEU H H 154 7.701 7.701 7.176 0.525 18250 7592 1 8 . 1 1 155 155 TYR N N 155 116.466 116.466 115.872 0.594 18250 7593 1 8 . 1 1 155 155 TYR HA H 155 4.227 4.227 4.534 -0.307 18250 7594 1 8 . 1 1 155 155 TYR C C 155 176.835 176.835 175.478 1.357 18250 7595 1 8 . 1 1 155 155 TYR CA C 155 59.639 59.639 57.274 2.365 18250 7596 1 8 . 1 1 155 155 TYR CB C 155 38.891 38.891 39.317 -0.426 18250 7597 1 8 . 1 1 155 155 TYR H H 155 8.210 8.210 7.251 0.959 18250 7598 1 8 . 1 1 156 156 GLY N N 156 108.677 108.677 109.267 -0.590 18250 7599 1 8 . 1 1 156 156 GLY C C 156 173.893 173.893 174.077 -0.184 18250 7600 1 8 . 1 1 156 156 GLY CA C 156 45.627 45.627 44.653 0.974 18250 7601 1 8 . 1 1 156 156 GLY H H 156 8.125 8.125 7.548 0.577 18250 7602 1 8 . 1 1 157 157 ASN N N 157 118.537 118.537 121.288 -2.751 18250 7603 1 8 . 1 1 157 157 ASN HA H 157 4.640 4.640 4.449 0.191 18250 7604 1 8 . 1 1 157 157 ASN C C 157 175.436 175.436 176.013 -0.577 18250 7605 1 8 . 1 1 157 157 ASN CA C 157 53.482 53.482 54.755 -1.273 18250 7606 1 8 . 1 1 157 157 ASN CB C 157 38.726 38.726 38.382 0.344 18250 7607 1 8 . 1 1 157 157 ASN H H 157 8.429 8.429 8.567 -0.138 18250 7608 1 8 . 1 1 158 158 ASN N N 158 119.251 119.251 117.441 1.810 18250 7609 1 8 . 1 1 158 158 ASN HA H 158 4.634 4.634 4.511 0.123 18250 7610 1 8 . 1 1 158 158 ASN C C 158 175.574 175.574 176.099 -0.525 18250 7611 1 8 . 1 1 158 158 ASN CA C 158 53.845 53.845 54.552 -0.707 18250 7612 1 8 . 1 1 158 158 ASN CB C 158 38.841 38.841 37.121 1.720 18250 7613 1 8 . 1 1 158 158 ASN H H 158 8.444 8.444 7.899 0.545 18250 7614 1 8 . 1 1 159 159 ALA N N 159 123.557 123.557 123.004 0.553 18250 7615 1 8 . 1 1 159 159 ALA HA H 159 4.185 4.185 4.143 0.042 18250 7616 1 8 . 1 1 159 159 ALA C C 159 178.451 178.451 179.067 -0.616 18250 7617 1 8 . 1 1 159 159 ALA CA C 159 53.732 53.732 54.459 -0.728 18250 7618 1 8 . 1 1 159 159 ALA CB C 159 18.793 18.793 18.391 0.402 18250 7619 1 8 . 1 1 159 159 ALA H H 159 8.216 8.216 7.484 0.732 18250 7620 1 8 . 1 1 160 160 ALA N N 160 121.918 121.918 120.704 1.214 18250 7621 1 8 . 1 1 160 160 ALA HA H 160 4.236 4.236 4.210 0.026 18250 7622 1 8 . 1 1 160 160 ALA C C 160 178.493 178.493 179.387 -0.894 18250 7623 1 8 . 1 1 160 160 ALA CA C 160 53.131 53.131 54.055 -0.924 18250 7624 1 8 . 1 1 160 160 ALA CB C 160 18.623 18.623 18.368 0.255 18250 7625 1 8 . 1 1 160 160 ALA H H 160 8.159 8.159 7.444 0.715 18250 7626 1 8 . 1 1 161 161 ALA N N 161 122.552 122.552 121.089 1.463 18250 7627 1 8 . 1 1 161 161 ALA HA H 161 4.160 4.160 4.068 0.092 18250 7628 1 8 . 1 1 161 161 ALA C C 161 178.993 178.993 179.441 -0.448 18250 7629 1 8 . 1 1 161 161 ALA CA C 161 53.807 53.807 54.792 -0.985 18250 7630 1 8 . 1 1 161 161 ALA CB C 161 18.845 18.845 18.376 0.469 18250 7631 1 8 . 1 1 161 161 ALA H H 161 8.054 8.054 7.744 0.310 18250 7632 1 8 . 1 1 162 162 GLU N N 162 118.709 118.709 117.020 1.689 18250 7633 1 8 . 1 1 162 162 GLU HA H 162 4.175 4.175 4.033 0.142 18250 7634 1 8 . 1 1 162 162 GLU C C 162 177.630 177.630 178.366 -0.736 18250 7635 1 8 . 1 1 162 162 GLU CA C 162 57.788 57.788 58.416 -0.628 18250 7636 1 8 . 1 1 162 162 GLU CB C 162 29.767 29.767 29.016 0.751 18250 7637 1 8 . 1 1 162 162 GLU H H 162 8.330 8.330 8.214 0.116 18250 7638 1 8 . 1 1 163 163 SER N N 163 115.336 115.336 115.457 -0.121 18250 7639 1 8 . 1 1 163 163 SER HA H 163 4.378 4.378 4.383 -0.005 18250 7640 1 8 . 1 1 163 163 SER C C 163 175.241 175.241 175.358 -0.117 18250 7641 1 8 . 1 1 163 163 SER CA C 163 59.419 59.419 58.667 0.752 18250 7642 1 8 . 1 1 163 163 SER CB C 163 63.456 63.456 63.162 0.294 18250 7643 1 8 . 1 1 163 163 SER H H 163 8.122 8.122 7.678 0.444 18250 7644 1 8 . 1 1 164 164 ARG N N 164 121.905 121.905 119.780 2.125 18250 7645 1 8 . 1 1 164 164 ARG HA H 164 4.328 4.328 4.463 -0.135 18250 7646 1 8 . 1 1 164 164 ARG C C 164 176.812 176.812 176.922 -0.110 18250 7647 1 8 . 1 1 164 164 ARG CA C 164 56.772 56.772 55.869 0.903 18250 7648 1 8 . 1 1 164 164 ARG CB C 164 30.508 30.508 30.161 0.347 18250 7649 1 8 . 1 1 164 164 ARG H H 164 8.054 8.054 7.636 0.418 18250 7650 1 8 . 1 1 165 165 LYS N N 165 121.165 121.165 121.125 0.040 18250 7651 1 8 . 1 1 165 165 LYS HA H 165 4.247 4.247 4.253 -0.006 18250 7652 1 8 . 1 1 165 165 LYS C C 165 177.580 177.580 178.115 -0.535 18250 7653 1 8 . 1 1 165 165 LYS CA C 165 57.272 57.272 57.568 -0.296 18250 7654 1 8 . 1 1 165 165 LYS CB C 165 32.845 32.845 32.178 0.667 18250 7655 1 8 . 1 1 165 165 LYS H H 165 8.111 8.111 7.444 0.667 18250 7656 1 8 . 1 1 166 166 GLY N N 166 109.466 109.466 108.475 0.991 18250 7657 1 8 . 1 1 166 166 GLY C C 166 174.696 174.696 175.600 -0.904 18250 7658 1 8 . 1 1 166 166 GLY CA C 166 45.691 45.691 46.912 -1.221 18250 7659 1 8 . 1 1 166 166 GLY H H 166 8.444 8.444 8.246 0.198 18250 7660 1 8 . 1 1 167 167 GLN N N 167 119.704 119.704 121.135 -1.431 18250 7661 1 8 . 1 1 167 167 GLN HA H 167 4.342 4.342 4.055 0.287 18250 7662 1 8 . 1 1 167 167 GLN C C 167 176.093 176.093 178.368 -2.275 18250 7663 1 8 . 1 1 167 167 GLN CA C 167 56.161 56.161 58.821 -2.660 18250 7664 1 8 . 1 1 167 167 GLN CB C 167 29.403 29.403 28.511 0.892 18250 7665 1 8 . 1 1 167 167 GLN H H 167 8.143 8.143 7.839 0.304 18250 7666 1 8 . 1 1 168 168 GLU N N 168 121.765 121.765 117.181 4.584 18250 7667 1 8 . 1 1 168 168 GLU HA H 168 4.224 4.224 4.233 -0.009 18250 7668 1 8 . 1 1 168 168 GLU C C 168 176.750 176.750 177.999 -1.249 18250 7669 1 8 . 1 1 168 168 GLU CA C 168 57.344 57.344 57.801 -0.457 18250 7670 1 8 . 1 1 168 168 GLU CB C 168 29.990 29.990 29.529 0.461 18250 7671 1 8 . 1 1 168 168 GLU H H 168 8.526 8.526 7.828 0.698 18250 7672 1 8 . 1 1 169 169 ARG N N 169 121.114 121.114 120.383 0.731 18250 7673 1 8 . 1 1 169 169 ARG HA H 169 4.291 4.291 4.356 -0.065 18250 7674 1 8 . 1 1 169 169 ARG C C 169 177.587 177.587 177.996 -0.409 18250 7675 1 8 . 1 1 169 169 ARG CA C 169 56.338 56.338 58.447 -2.109 18250 7676 1 8 . 1 1 169 169 ARG CB C 169 30.516 30.516 30.784 -0.268 18250 7677 1 8 . 1 1 169 169 ARG H H 169 8.284 8.284 7.843 0.441 18250 7678 1 8 . 1 1 170 170 LEU N N 170 122.853 122.853 116.658 6.195 18250 7679 1 8 . 1 1 170 170 LEU HA H 170 4.399 4.399 4.318 0.081 18250 7680 1 8 . 1 1 170 170 LEU C C 170 177.364 177.364 177.797 -0.433 18250 7681 1 8 . 1 1 170 170 LEU CA C 170 55.290 55.290 57.385 -2.095 18250 7682 1 8 . 1 1 170 170 LEU CB C 170 42.424 42.424 41.933 0.491 18250 7683 1 8 . 1 1 170 170 LEU H H 170 8.181 8.181 8.178 0.003 18250 7684 1 8 . 1 1 171 171 GLU N N 171 120.823 120.823 116.308 4.515 18250 7685 1 8 . 1 1 171 171 GLU C C 171 176.255 176.255 177.431 -1.176 18250 7686 1 8 . 1 1 171 171 GLU CA C 171 56.725 56.725 56.618 0.107 18250 7687 1 8 . 1 1 171 171 GLU CB C 171 30.289 30.289 31.080 -0.791 18250 7688 1 8 . 1 1 171 171 GLU H H 171 8.352 8.352 7.530 0.822 18250 7689 1 9 . 1 1 2 2 SER N N 2 122.263 122.263 117.350 4.913 18250 7690 1 9 . 1 1 2 2 SER HA H 2 4.270 4.270 4.467 -0.197 18250 7691 1 9 . 1 1 2 2 SER CA C 2 59.961 59.961 60.580 -0.619 18250 7692 1 9 . 1 1 2 2 SER CB C 2 64.958 64.958 62.946 2.012 18250 7693 1 9 . 1 1 2 2 SER H H 2 7.955 7.955 8.442 -0.487 18250 7694 1 9 . 1 1 3 3 GLN HA H 3 4.387 4.387 4.272 0.115 18250 7695 1 9 . 1 1 3 3 GLN C C 3 179.078 179.078 178.190 0.888 18250 7696 1 9 . 1 1 3 3 GLN CA C 3 56.616 56.616 58.219 -1.603 18250 7697 1 9 . 1 1 3 3 GLN CB C 3 29.224 29.224 28.467 0.757 18250 7698 1 9 . 1 1 4 4 SER N N 4 117.102 117.102 114.880 2.222 18250 7699 1 9 . 1 1 4 4 SER HA H 4 4.465 4.465 4.485 -0.020 18250 7700 1 9 . 1 1 4 4 SER C C 4 175.930 175.930 176.230 -0.300 18250 7701 1 9 . 1 1 4 4 SER CA C 4 58.994 58.994 60.462 -1.468 18250 7702 1 9 . 1 1 4 4 SER CB C 4 63.490 63.490 62.847 0.643 18250 7703 1 9 . 1 1 4 4 SER H H 4 8.647 8.647 7.526 1.121 18250 7704 1 9 . 1 1 5 5 ASN N N 5 122.476 122.476 119.097 3.379 18250 7705 1 9 . 1 1 5 5 ASN HA H 5 4.744 4.744 4.732 0.012 18250 7706 1 9 . 1 1 5 5 ASN C C 5 177.378 177.378 177.526 -0.148 18250 7707 1 9 . 1 1 5 5 ASN CA C 5 56.150 56.150 55.221 0.929 18250 7708 1 9 . 1 1 5 5 ASN CB C 5 38.363 38.363 38.833 -0.470 18250 7709 1 9 . 1 1 5 5 ASN H H 5 8.603 8.603 7.901 0.702 18250 7710 1 9 . 1 1 6 6 ARG N N 6 120.024 120.024 121.433 -1.409 18250 7711 1 9 . 1 1 6 6 ARG HA H 6 3.927 3.927 4.039 -0.112 18250 7712 1 9 . 1 1 6 6 ARG C C 6 177.331 177.331 177.749 -0.418 18250 7713 1 9 . 1 1 6 6 ARG CA C 6 59.861 59.861 59.528 0.333 18250 7714 1 9 . 1 1 6 6 ARG CB C 6 29.756 29.756 30.075 -0.319 18250 7715 1 9 . 1 1 6 6 ARG H H 6 8.252 8.252 8.185 0.067 18250 7716 1 9 . 1 1 7 7 GLU N N 7 117.799 117.799 119.499 -1.700 18250 7717 1 9 . 1 1 7 7 GLU HA H 7 3.907 3.907 4.017 -0.110 18250 7718 1 9 . 1 1 7 7 GLU C C 7 179.388 179.388 179.048 0.340 18250 7719 1 9 . 1 1 7 7 GLU CA C 7 59.380 59.380 59.502 -0.122 18250 7720 1 9 . 1 1 7 7 GLU CB C 7 29.624 29.624 29.209 0.415 18250 7721 1 9 . 1 1 7 7 GLU H H 7 7.953 7.953 7.930 0.023 18250 7722 1 9 . 1 1 8 8 LEU N N 8 119.794 119.794 117.661 2.133 18250 7723 1 9 . 1 1 8 8 LEU HA H 8 3.875 3.875 4.143 -0.268 18250 7724 1 9 . 1 1 8 8 LEU C C 8 178.368 178.368 178.450 -0.082 18250 7725 1 9 . 1 1 8 8 LEU CA C 8 58.116 58.116 56.871 1.245 18250 7726 1 9 . 1 1 8 8 LEU CB C 8 41.926 41.926 41.892 0.034 18250 7727 1 9 . 1 1 8 8 LEU H H 8 7.726 7.726 7.396 0.330 18250 7728 1 9 . 1 1 9 9 VAL N N 9 117.818 117.818 117.668 0.150 18250 7729 1 9 . 1 1 9 9 VAL HA H 9 3.678 3.678 3.541 0.137 18250 7730 1 9 . 1 1 9 9 VAL C C 9 177.085 177.085 177.425 -0.340 18250 7731 1 9 . 1 1 9 9 VAL CA C 9 67.766 67.766 65.366 2.400 18250 7732 1 9 . 1 1 9 9 VAL CB C 9 32.429 32.429 31.801 0.628 18250 7733 1 9 . 1 1 9 9 VAL H H 9 7.765 7.765 7.146 0.619 18250 7734 1 9 . 1 1 10 10 VAL N N 10 117.317 117.317 120.720 -3.403 18250 7735 1 9 . 1 1 10 10 VAL HA H 10 2.926 2.926 3.256 -0.330 18250 7736 1 9 . 1 1 10 10 VAL C C 10 178.588 178.588 177.817 0.771 18250 7737 1 9 . 1 1 10 10 VAL CA C 10 67.029 67.029 67.019 0.010 18250 7738 1 9 . 1 1 10 10 VAL CB C 10 31.401 31.401 30.841 0.560 18250 7739 1 9 . 1 1 10 10 VAL H H 10 8.333 8.333 8.537 -0.204 18250 7740 1 9 . 1 1 11 11 ASP N N 11 120.859 120.859 118.221 2.638 18250 7741 1 9 . 1 1 11 11 ASP HA H 11 4.083 4.083 4.239 -0.156 18250 7742 1 9 . 1 1 11 11 ASP C C 11 177.495 177.495 178.058 -0.563 18250 7743 1 9 . 1 1 11 11 ASP CA C 11 58.947 58.947 56.583 2.364 18250 7744 1 9 . 1 1 11 11 ASP CB C 11 43.345 43.345 40.928 2.417 18250 7745 1 9 . 1 1 11 11 ASP H H 11 8.070 8.070 8.072 -0.002 18250 7746 1 9 . 1 1 12 12 PHE N N 12 120.293 120.293 119.275 1.018 18250 7747 1 9 . 1 1 12 12 PHE HA H 12 3.953 3.953 4.425 -0.472 18250 7748 1 9 . 1 1 12 12 PHE C C 12 178.083 178.083 176.676 1.407 18250 7749 1 9 . 1 1 12 12 PHE CA C 12 63.221 63.221 60.759 2.462 18250 7750 1 9 . 1 1 12 12 PHE CB C 12 40.134 40.134 40.316 -0.181 18250 7751 1 9 . 1 1 12 12 PHE H H 12 8.327 8.327 7.405 0.922 18250 7752 1 9 . 1 1 13 13 LEU N N 13 116.845 116.845 120.206 -3.361 18250 7753 1 9 . 1 1 13 13 LEU HA H 13 3.990 3.990 3.842 0.148 18250 7754 1 9 . 1 1 13 13 LEU C C 13 179.454 179.454 178.727 0.727 18250 7755 1 9 . 1 1 13 13 LEU CA C 13 58.291 58.291 57.783 0.508 18250 7756 1 9 . 1 1 13 13 LEU CB C 13 41.739 41.739 41.184 0.555 18250 7757 1 9 . 1 1 13 13 LEU H H 13 8.907 8.907 8.795 0.112 18250 7758 1 9 . 1 1 14 14 SER N N 14 114.306 114.306 114.374 -0.068 18250 7759 1 9 . 1 1 14 14 SER HA H 14 4.257 4.257 4.039 0.218 18250 7760 1 9 . 1 1 14 14 SER C C 14 177.281 177.281 176.287 0.994 18250 7761 1 9 . 1 1 14 14 SER CA C 14 62.641 62.641 61.435 1.206 18250 7762 1 9 . 1 1 14 14 SER CB C 14 62.594 62.594 62.777 -0.183 18250 7763 1 9 . 1 1 14 14 SER H H 14 8.503 8.503 8.177 0.326 18250 7764 1 9 . 1 1 15 15 TYR N N 15 124.988 124.988 122.018 2.970 18250 7765 1 9 . 1 1 15 15 TYR HA H 15 4.388 4.388 4.182 0.206 18250 7766 1 9 . 1 1 15 15 TYR C C 15 178.247 178.247 177.029 1.218 18250 7767 1 9 . 1 1 15 15 TYR CA C 15 60.311 60.311 61.700 -1.389 18250 7768 1 9 . 1 1 15 15 TYR CB C 15 37.990 37.990 38.228 -0.238 18250 7769 1 9 . 1 1 15 15 TYR H H 15 8.252 8.252 7.546 0.706 18250 7770 1 9 . 1 1 16 16 LYS N N 16 120.256 120.256 118.543 1.713 18250 7771 1 9 . 1 1 16 16 LYS HA H 16 3.829 3.829 3.835 -0.006 18250 7772 1 9 . 1 1 16 16 LYS C C 16 180.272 180.272 179.129 1.143 18250 7773 1 9 . 1 1 16 16 LYS CA C 16 57.063 57.063 58.434 -1.371 18250 7774 1 9 . 1 1 16 16 LYS CB C 16 29.849 29.849 31.678 -1.829 18250 7775 1 9 . 1 1 16 16 LYS H H 16 8.331 8.331 7.421 0.910 18250 7776 1 9 . 1 1 17 17 LEU N N 17 118.564 118.564 120.537 -1.973 18250 7777 1 9 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.127 -0.052 18250 7778 1 9 . 1 1 17 17 LEU C C 17 179.917 179.917 178.993 0.924 18250 7779 1 9 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.535 0.158 18250 7780 1 9 . 1 1 17 17 LEU CB C 17 41.178 41.178 41.823 -0.645 18250 7781 1 9 . 1 1 17 17 LEU H H 17 8.726 8.726 8.263 0.463 18250 7782 1 9 . 1 1 18 18 SER N N 18 117.861 117.861 114.849 3.012 18250 7783 1 9 . 1 1 18 18 SER HA H 18 4.696 4.696 4.354 0.342 18250 7784 1 9 . 1 1 18 18 SER C C 18 178.612 178.612 176.550 2.062 18250 7785 1 9 . 1 1 18 18 SER CA C 18 61.783 61.783 61.259 0.524 18250 7786 1 9 . 1 1 18 18 SER CB C 18 62.613 62.613 63.079 -0.466 18250 7787 1 9 . 1 1 18 18 SER H H 18 8.394 8.394 8.290 0.104 18250 7788 1 9 . 1 1 19 19 GLN N N 19 122.899 122.899 120.247 2.652 18250 7789 1 9 . 1 1 19 19 GLN HA H 19 4.017 4.017 3.976 0.041 18250 7790 1 9 . 1 1 19 19 GLN C C 19 177.237 177.237 177.255 -0.018 18250 7791 1 9 . 1 1 19 19 GLN CA C 19 58.536 58.536 57.901 0.635 18250 7792 1 9 . 1 1 19 19 GLN CB C 19 28.795 28.795 28.378 0.417 18250 7793 1 9 . 1 1 19 19 GLN H H 19 7.691 7.691 7.555 0.136 18250 7794 1 9 . 1 1 20 20 LYS N N 20 116.425 116.425 116.658 -0.233 18250 7795 1 9 . 1 1 20 20 LYS HA H 20 4.425 4.425 4.227 0.198 18250 7796 1 9 . 1 1 20 20 LYS C C 20 175.581 175.581 175.962 -0.381 18250 7797 1 9 . 1 1 20 20 LYS CA C 20 54.032 54.032 55.730 -1.698 18250 7798 1 9 . 1 1 20 20 LYS CB C 20 32.659 32.659 32.194 0.465 18250 7799 1 9 . 1 1 20 20 LYS H H 20 7.268 7.268 7.416 -0.148 18250 7800 1 9 . 1 1 21 21 GLY N N 21 105.593 105.593 107.206 -1.613 18250 7801 1 9 . 1 1 21 21 GLY C C 21 174.012 174.012 173.907 0.105 18250 7802 1 9 . 1 1 21 21 GLY CA C 21 45.316 45.316 45.004 0.312 18250 7803 1 9 . 1 1 21 21 GLY H H 21 7.620 7.620 7.438 0.182 18250 7804 1 9 . 1 1 22 22 TYR N N 22 119.884 119.884 119.414 0.470 18250 7805 1 9 . 1 1 22 22 TYR HA H 22 5.047 5.047 4.861 0.186 18250 7806 1 9 . 1 1 22 22 TYR C C 22 175.024 175.024 174.662 0.362 18250 7807 1 9 . 1 1 22 22 TYR CA C 22 55.645 55.645 55.674 -0.029 18250 7808 1 9 . 1 1 22 22 TYR CB C 22 40.969 40.969 40.956 0.014 18250 7809 1 9 . 1 1 22 22 TYR H H 22 7.892 7.892 8.226 -0.334 18250 7810 1 9 . 1 1 23 23 SER N N 23 115.410 115.410 118.539 -3.129 18250 7811 1 9 . 1 1 23 23 SER HA H 23 4.863 4.863 4.704 0.159 18250 7812 1 9 . 1 1 23 23 SER C C 23 174.483 174.483 174.998 -0.515 18250 7813 1 9 . 1 1 23 23 SER CA C 23 56.776 56.776 56.866 -0.090 18250 7814 1 9 . 1 1 23 23 SER CB C 23 64.778 64.778 63.583 1.195 18250 7815 1 9 . 1 1 23 23 SER H H 23 8.561 8.561 8.682 -0.121 18250 7816 1 9 . 1 1 24 24 TRP N N 24 127.533 127.533 128.576 -1.043 18250 7817 1 9 . 1 1 24 24 TRP HA H 24 4.346 4.346 4.393 -0.047 18250 7818 1 9 . 1 1 24 24 TRP C C 24 176.876 176.876 176.595 0.281 18250 7819 1 9 . 1 1 24 24 TRP CA C 24 60.051 60.051 61.063 -1.012 18250 7820 1 9 . 1 1 24 24 TRP CB C 24 30.824 30.824 29.393 1.431 18250 7821 1 9 . 1 1 24 24 TRP H H 24 9.026 9.026 9.056 -0.030 18250 7822 1 9 . 1 1 25 25 SER N N 25 112.236 112.236 112.013 0.223 18250 7823 1 9 . 1 1 25 25 SER HA H 25 4.104 4.104 4.058 0.046 18250 7824 1 9 . 1 1 25 25 SER C C 25 175.164 175.164 175.066 0.098 18250 7825 1 9 . 1 1 25 25 SER CA C 25 60.033 60.033 59.920 0.113 18250 7826 1 9 . 1 1 25 25 SER CB C 25 62.931 62.931 62.484 0.447 18250 7827 1 9 . 1 1 25 25 SER H H 25 8.236 8.236 8.339 -0.103 18250 7828 1 9 . 1 1 26 26 GLN N N 26 119.530 119.530 119.021 0.509 18250 7829 1 9 . 1 1 26 26 GLN HA H 26 3.895 3.895 4.087 -0.192 18250 7830 1 9 . 1 1 26 26 GLN C C 26 176.075 176.075 176.670 -0.595 18250 7831 1 9 . 1 1 26 26 GLN CA C 26 56.959 56.959 57.119 -0.160 18250 7832 1 9 . 1 1 26 26 GLN CB C 26 28.764 28.764 28.536 0.228 18250 7833 1 9 . 1 1 26 26 GLN H H 26 7.467 7.467 7.209 0.258 18250 7834 1 9 . 1 1 27 27 PHE N N 27 116.668 116.668 116.758 -0.090 18250 7835 1 9 . 1 1 27 27 PHE HA H 27 4.594 4.594 4.512 0.082 18250 7836 1 9 . 1 1 27 27 PHE C C 27 175.107 175.107 176.213 -1.106 18250 7837 1 9 . 1 1 27 27 PHE CA C 27 56.629 56.629 57.562 -0.933 18250 7838 1 9 . 1 1 27 27 PHE CB C 27 39.909 39.909 40.032 -0.123 18250 7839 1 9 . 1 1 27 27 PHE H H 27 7.343 7.343 7.325 0.018 18250 7840 1 9 . 1 1 28 28 SER N N 28 114.121 114.121 115.699 -1.578 18250 7841 1 9 . 1 1 28 28 SER HA H 28 4.151 4.151 4.199 -0.048 18250 7842 1 9 . 1 1 28 28 SER C C 28 173.703 173.703 174.035 -0.332 18250 7843 1 9 . 1 1 28 28 SER CA C 28 57.662 57.662 57.595 0.067 18250 7844 1 9 . 1 1 28 28 SER CB C 28 63.931 63.931 64.313 -0.382 18250 7845 1 9 . 1 1 28 28 SER H H 28 7.336 7.336 7.576 -0.240 18250 7846 1 9 . 1 1 29 29 ASP N N 29 122.733 122.733 122.419 0.314 18250 7847 1 9 . 1 1 29 29 ASP HA H 29 4.601 4.601 4.841 -0.240 18250 7848 1 9 . 1 1 29 29 ASP C C 29 176.320 176.320 175.552 0.768 18250 7849 1 9 . 1 1 29 29 ASP CA C 29 54.194 54.194 53.863 0.331 18250 7850 1 9 . 1 1 29 29 ASP CB C 29 41.145 41.145 41.285 -0.140 18250 7851 1 9 . 1 1 29 29 ASP H H 29 8.370 8.370 8.472 -0.102 18250 7852 1 9 . 1 1 30 30 VAL N N 30 119.197 119.197 122.081 -2.884 18250 7853 1 9 . 1 1 30 30 VAL HA H 30 4.096 4.096 3.891 0.205 18250 7854 1 9 . 1 1 30 30 VAL C C 30 176.232 176.232 177.588 -1.356 18250 7855 1 9 . 1 1 30 30 VAL CA C 30 62.417 62.417 64.998 -2.581 18250 7856 1 9 . 1 1 30 30 VAL CB C 30 33.024 33.024 32.789 0.235 18250 7857 1 9 . 1 1 30 30 VAL H H 30 7.968 7.968 8.149 -0.181 18250 7858 1 9 . 1 1 31 31 GLU N N 31 124.470 124.470 117.937 6.533 18250 7859 1 9 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.205 0.055 18250 7860 1 9 . 1 1 31 31 GLU C C 31 176.526 176.526 176.807 -0.281 18250 7861 1 9 . 1 1 31 31 GLU CA C 31 56.706 56.706 58.256 -1.550 18250 7862 1 9 . 1 1 31 31 GLU CB C 31 30.250 30.250 29.086 1.164 18250 7863 1 9 . 1 1 31 31 GLU H H 31 8.502 8.502 8.550 -0.048 18250 7864 1 9 . 1 1 32 32 GLU N N 32 122.145 122.145 117.879 4.266 18250 7865 1 9 . 1 1 32 32 GLU HA H 32 4.233 4.233 4.391 -0.158 18250 7866 1 9 . 1 1 32 32 GLU C C 32 176.172 176.172 175.382 0.790 18250 7867 1 9 . 1 1 32 32 GLU CA C 32 56.732 56.732 55.983 0.749 18250 7868 1 9 . 1 1 32 32 GLU CB C 32 30.643 30.643 29.303 1.340 18250 7869 1 9 . 1 1 32 32 GLU H H 32 8.426 8.426 8.388 0.038 18250 7870 1 9 . 1 1 33 33 ASN N N 33 119.562 119.562 118.064 1.498 18250 7871 1 9 . 1 1 33 33 ASN HA H 33 4.708 4.708 4.761 -0.053 18250 7872 1 9 . 1 1 33 33 ASN C C 33 174.983 174.983 173.663 1.320 18250 7873 1 9 . 1 1 33 33 ASN CA C 33 53.360 53.360 53.469 -0.109 18250 7874 1 9 . 1 1 33 33 ASN CB C 33 38.994 38.994 40.264 -1.270 18250 7875 1 9 . 1 1 33 33 ASN H H 33 8.503 8.503 7.418 1.085 18250 7876 1 9 . 1 1 34 34 ARG N N 34 122.040 122.040 125.655 -3.615 18250 7877 1 9 . 1 1 34 34 ARG HA H 34 4.411 4.411 4.297 0.114 18250 7878 1 9 . 1 1 34 34 ARG C C 34 176.470 176.470 175.416 1.054 18250 7879 1 9 . 1 1 34 34 ARG CA C 34 56.151 56.151 56.715 -0.564 18250 7880 1 9 . 1 1 34 34 ARG CB C 34 30.891 30.891 29.220 1.671 18250 7881 1 9 . 1 1 34 34 ARG H H 34 8.330 8.330 8.693 -0.363 18250 7882 1 9 . 1 1 35 35 THR N N 35 115.850 115.850 114.844 1.006 18250 7883 1 9 . 1 1 35 35 THR HA H 35 4.329 4.329 4.556 -0.227 18250 7884 1 9 . 1 1 35 35 THR C C 35 174.429 174.429 173.728 0.701 18250 7885 1 9 . 1 1 35 35 THR CA C 35 62.079 62.079 61.212 0.867 18250 7886 1 9 . 1 1 35 35 THR CB C 35 69.825 69.825 70.128 -0.303 18250 7887 1 9 . 1 1 35 35 THR H H 35 8.283 8.283 8.407 -0.124 18250 7888 1 9 . 1 1 36 36 GLU N N 36 123.074 123.074 124.188 -1.114 18250 7889 1 9 . 1 1 36 36 GLU HA H 36 4.311 4.311 4.604 -0.293 18250 7890 1 9 . 1 1 36 36 GLU C C 36 175.641 175.641 174.693 0.948 18250 7891 1 9 . 1 1 36 36 GLU CA C 36 56.396 56.396 54.297 2.099 18250 7892 1 9 . 1 1 36 36 GLU CB C 36 30.379 30.379 30.685 -0.306 18250 7893 1 9 . 1 1 36 36 GLU H H 36 8.402 8.402 8.227 0.175 18250 7894 1 9 . 1 1 37 37 ALA N N 37 126.190 126.190 123.384 2.806 18250 7895 1 9 . 1 1 37 37 ALA HA H 37 4.613 4.613 4.593 0.020 18250 7896 1 9 . 1 1 37 37 ALA C C 37 175.419 175.419 175.967 -0.548 18250 7897 1 9 . 1 1 37 37 ALA CA C 37 50.532 50.532 50.595 -0.063 18250 7898 1 9 . 1 1 37 37 ALA CB C 37 18.633 18.633 18.327 0.306 18250 7899 1 9 . 1 1 37 37 ALA H H 37 8.314 8.314 8.306 0.008 18250 7900 1 9 . 1 1 38 38 PRO HA H 38 4.427 4.427 4.549 -0.122 18250 7901 1 9 . 1 1 38 38 PRO C C 38 177.029 177.029 176.229 0.800 18250 7902 1 9 . 1 1 38 38 PRO CA C 38 63.216 63.216 61.706 1.510 18250 7903 1 9 . 1 1 38 38 PRO CB C 38 32.134 32.134 32.526 -0.392 18250 7904 1 9 . 1 1 39 39 GLU N N 39 121.295 121.295 119.110 2.185 18250 7905 1 9 . 1 1 39 39 GLU HA H 39 4.301 4.301 4.277 0.024 18250 7906 1 9 . 1 1 39 39 GLU C C 39 177.079 177.079 176.379 0.700 18250 7907 1 9 . 1 1 39 39 GLU CA C 39 56.836 56.836 56.296 0.540 18250 7908 1 9 . 1 1 39 39 GLU CB C 39 30.441 30.441 28.970 1.471 18250 7909 1 9 . 1 1 39 39 GLU H H 39 8.640 8.640 8.564 0.076 18250 7910 1 9 . 1 1 40 40 GLY N N 40 110.317 110.317 113.283 -2.966 18250 7911 1 9 . 1 1 40 40 GLY C C 40 174.602 174.602 174.645 -0.043 18250 7912 1 9 . 1 1 40 40 GLY CA C 40 45.485 45.485 44.790 0.695 18250 7913 1 9 . 1 1 40 40 GLY H H 40 8.521 8.521 8.285 0.236 18250 7914 1 9 . 1 1 41 41 THR N N 41 113.178 113.178 122.458 -9.280 18250 7915 1 9 . 1 1 41 41 THR HA H 41 4.385 4.385 3.985 0.400 18250 7916 1 9 . 1 1 41 41 THR C C 41 175.499 175.499 176.264 -0.765 18250 7917 1 9 . 1 1 41 41 THR CA C 41 62.273 62.273 65.698 -3.425 18250 7918 1 9 . 1 1 41 41 THR CB C 41 69.917 69.917 69.038 0.879 18250 7919 1 9 . 1 1 41 41 THR H H 41 8.268 8.268 7.946 0.322 18250 7920 1 9 . 1 1 42 42 GLU N N 42 123.140 123.140 121.697 1.443 18250 7921 1 9 . 1 1 42 42 GLU HA H 42 4.371 4.371 4.134 0.237 18250 7922 1 9 . 1 1 42 42 GLU C C 42 177.161 177.161 178.485 -1.324 18250 7923 1 9 . 1 1 42 42 GLU CA C 42 57.492 57.492 58.914 -1.422 18250 7924 1 9 . 1 1 42 42 GLU CB C 42 29.924 29.924 29.223 0.701 18250 7925 1 9 . 1 1 42 42 GLU H H 42 8.847 8.847 8.739 0.108 18250 7926 1 9 . 1 1 43 43 SER N N 43 115.679 115.679 115.363 0.316 18250 7927 1 9 . 1 1 43 43 SER HA H 43 4.430 4.430 3.886 0.544 18250 7928 1 9 . 1 1 43 43 SER C C 43 175.673 175.673 176.312 -0.639 18250 7929 1 9 . 1 1 43 43 SER CA C 43 58.925 58.925 61.773 -2.848 18250 7930 1 9 . 1 1 43 43 SER CB C 43 63.710 63.710 62.841 0.869 18250 7931 1 9 . 1 1 43 43 SER H H 43 8.510 8.510 8.652 -0.142 18250 7932 1 9 . 1 1 44 44 GLU N N 44 123.102 123.102 120.681 2.421 18250 7933 1 9 . 1 1 44 44 GLU HA H 44 3.992 3.992 3.962 0.030 18250 7934 1 9 . 1 1 44 44 GLU C C 44 177.924 177.924 178.471 -0.547 18250 7935 1 9 . 1 1 44 44 GLU CA C 44 59.074 59.074 59.011 0.063 18250 7936 1 9 . 1 1 44 44 GLU CB C 44 29.413 29.413 29.409 0.004 18250 7937 1 9 . 1 1 44 44 GLU H H 44 8.350 8.350 7.754 0.596 18250 7938 1 9 . 1 1 45 45 ALA N N 45 120.958 120.958 122.353 -1.395 18250 7939 1 9 . 1 1 45 45 ALA HA H 45 4.131 4.131 4.219 -0.088 18250 7940 1 9 . 1 1 45 45 ALA C C 45 180.641 180.641 179.229 1.412 18250 7941 1 9 . 1 1 45 45 ALA CA C 45 55.157 55.157 54.780 0.377 18250 7942 1 9 . 1 1 45 45 ALA CB C 45 18.575 18.575 18.618 -0.043 18250 7943 1 9 . 1 1 45 45 ALA H H 45 8.227 8.227 7.838 0.389 18250 7944 1 9 . 1 1 46 46 VAL N N 46 118.867 118.867 119.358 -0.491 18250 7945 1 9 . 1 1 46 46 VAL HA H 46 3.496 3.496 3.482 0.014 18250 7946 1 9 . 1 1 46 46 VAL C C 46 176.724 176.724 176.919 -0.195 18250 7947 1 9 . 1 1 46 46 VAL CA C 46 66.189 66.189 65.754 0.435 18250 7948 1 9 . 1 1 46 46 VAL CB C 46 31.811 31.811 31.202 0.609 18250 7949 1 9 . 1 1 46 46 VAL H H 46 7.569 7.569 7.785 -0.216 18250 7950 1 9 . 1 1 47 47 LYS N N 47 117.922 117.922 119.757 -1.835 18250 7951 1 9 . 1 1 47 47 LYS HA H 47 3.719 3.719 3.776 -0.057 18250 7952 1 9 . 1 1 47 47 LYS C C 47 178.888 178.888 178.612 0.276 18250 7953 1 9 . 1 1 47 47 LYS CA C 47 59.801 59.801 59.942 -0.141 18250 7954 1 9 . 1 1 47 47 LYS CB C 47 32.514 32.514 32.128 0.386 18250 7955 1 9 . 1 1 47 47 LYS H H 47 7.437 7.437 8.331 -0.894 18250 7956 1 9 . 1 1 48 48 GLN N N 48 116.490 116.490 118.606 -2.116 18250 7957 1 9 . 1 1 48 48 GLN HA H 48 3.712 3.712 4.041 -0.329 18250 7958 1 9 . 1 1 48 48 GLN C C 48 177.625 177.625 177.663 -0.038 18250 7959 1 9 . 1 1 48 48 GLN CA C 48 59.027 59.027 58.130 0.897 18250 7960 1 9 . 1 1 48 48 GLN CB C 48 28.103 28.103 28.043 0.060 18250 7961 1 9 . 1 1 48 48 GLN H H 48 8.168 8.168 7.446 0.722 18250 7962 1 9 . 1 1 49 49 ALA N N 49 120.362 120.362 123.636 -3.274 18250 7963 1 9 . 1 1 49 49 ALA HA H 49 4.227 4.227 3.803 0.424 18250 7964 1 9 . 1 1 49 49 ALA C C 49 179.807 179.807 179.301 0.506 18250 7965 1 9 . 1 1 49 49 ALA CA C 49 54.930 54.930 55.038 -0.108 18250 7966 1 9 . 1 1 49 49 ALA CB C 49 18.708 18.708 18.148 0.560 18250 7967 1 9 . 1 1 49 49 ALA H H 49 7.789 7.789 8.099 -0.310 18250 7968 1 9 . 1 1 50 50 LEU N N 50 120.591 120.591 117.364 3.227 18250 7969 1 9 . 1 1 50 50 LEU HA H 50 4.151 4.151 3.986 0.165 18250 7970 1 9 . 1 1 50 50 LEU C C 50 179.225 179.225 179.264 -0.039 18250 7971 1 9 . 1 1 50 50 LEU CA C 50 58.581 58.581 57.041 1.540 18250 7972 1 9 . 1 1 50 50 LEU CB C 50 42.279 42.279 40.056 2.223 18250 7973 1 9 . 1 1 50 50 LEU H H 50 8.491 8.491 8.642 -0.151 18250 7974 1 9 . 1 1 51 51 ARG N N 51 118.934 118.934 119.852 -0.918 18250 7975 1 9 . 1 1 51 51 ARG HA H 51 3.772 3.772 4.121 -0.349 18250 7976 1 9 . 1 1 51 51 ARG C C 51 178.618 178.618 179.038 -0.420 18250 7977 1 9 . 1 1 51 51 ARG CA C 51 60.954 60.954 58.838 2.116 18250 7978 1 9 . 1 1 51 51 ARG CB C 51 30.888 30.888 29.516 1.372 18250 7979 1 9 . 1 1 51 51 ARG H H 51 8.170 8.170 7.946 0.224 18250 7980 1 9 . 1 1 52 52 GLU N N 52 116.532 116.532 118.993 -2.461 18250 7981 1 9 . 1 1 52 52 GLU HA H 52 4.156 4.156 4.153 0.003 18250 7982 1 9 . 1 1 52 52 GLU C C 52 179.937 179.937 178.720 1.217 18250 7983 1 9 . 1 1 52 52 GLU CA C 52 59.383 59.383 58.558 0.825 18250 7984 1 9 . 1 1 52 52 GLU CB C 52 29.640 29.640 29.285 0.355 18250 7985 1 9 . 1 1 52 52 GLU H H 52 7.914 7.914 7.808 0.106 18250 7986 1 9 . 1 1 53 53 ALA N N 53 123.226 123.226 121.838 1.388 18250 7987 1 9 . 1 1 53 53 ALA HA H 53 4.473 4.473 3.834 0.639 18250 7988 1 9 . 1 1 53 53 ALA C C 53 181.683 181.683 179.809 1.874 18250 7989 1 9 . 1 1 53 53 ALA CA C 53 55.114 55.114 54.844 0.270 18250 7990 1 9 . 1 1 53 53 ALA CB C 53 19.476 19.476 18.070 1.406 18250 7991 1 9 . 1 1 53 53 ALA H H 53 8.902 8.902 8.133 0.769 18250 7992 1 9 . 1 1 54 54 GLY N N 54 108.711 108.711 106.562 2.149 18250 7993 1 9 . 1 1 54 54 GLY C C 54 175.330 175.330 175.799 -0.469 18250 7994 1 9 . 1 1 54 54 GLY CA C 54 47.111 47.111 47.194 -0.083 18250 7995 1 9 . 1 1 54 54 GLY H H 54 9.186 9.186 8.563 0.623 18250 7996 1 9 . 1 1 55 55 ASP N N 55 122.891 122.891 121.718 1.173 18250 7997 1 9 . 1 1 55 55 ASP C C 55 179.023 179.023 177.914 1.109 18250 7998 1 9 . 1 1 55 55 ASP CA C 55 57.752 57.752 57.347 0.405 18250 7999 1 9 . 1 1 55 55 ASP CB C 55 39.839 39.839 40.983 -1.144 18250 8000 1 9 . 1 1 55 55 ASP H H 55 8.224 8.224 7.745 0.479 18250 8001 1 9 . 1 1 56 56 GLU N N 56 120.753 120.753 119.880 0.873 18250 8002 1 9 . 1 1 56 56 GLU HA H 56 4.180 4.180 4.068 0.112 18250 8003 1 9 . 1 1 56 56 GLU C C 56 178.472 178.472 178.688 -0.216 18250 8004 1 9 . 1 1 56 56 GLU CA C 56 59.600 59.600 59.026 0.574 18250 8005 1 9 . 1 1 56 56 GLU CB C 56 29.782 29.782 29.887 -0.105 18250 8006 1 9 . 1 1 56 56 GLU H H 56 8.282 8.282 7.853 0.429 18250 8007 1 9 . 1 1 57 57 PHE N N 57 121.604 121.604 120.205 1.399 18250 8008 1 9 . 1 1 57 57 PHE HA H 57 4.341 4.341 4.231 0.110 18250 8009 1 9 . 1 1 57 57 PHE C C 57 177.008 177.008 177.488 -0.480 18250 8010 1 9 . 1 1 57 57 PHE CA C 57 61.915 61.915 61.967 -0.052 18250 8011 1 9 . 1 1 57 57 PHE CB C 57 40.025 40.025 39.576 0.449 18250 8012 1 9 . 1 1 57 57 PHE H H 57 8.671 8.671 8.689 -0.018 18250 8013 1 9 . 1 1 58 58 GLU N N 58 116.765 116.765 117.591 -0.826 18250 8014 1 9 . 1 1 58 58 GLU HA H 58 3.667 3.667 4.028 -0.361 18250 8015 1 9 . 1 1 58 58 GLU C C 58 177.661 177.661 178.066 -0.405 18250 8016 1 9 . 1 1 58 58 GLU CA C 58 58.795 58.795 58.729 0.066 18250 8017 1 9 . 1 1 58 58 GLU CB C 58 29.783 29.783 29.590 0.193 18250 8018 1 9 . 1 1 58 58 GLU H H 58 8.136 8.136 8.203 -0.067 18250 8019 1 9 . 1 1 59 59 LEU N N 59 117.344 117.344 119.072 -1.728 18250 8020 1 9 . 1 1 59 59 LEU HA H 59 4.201 4.201 4.178 0.023 18250 8021 1 9 . 1 1 59 59 LEU C C 59 178.953 178.953 177.486 1.467 18250 8022 1 9 . 1 1 59 59 LEU CA C 59 56.973 56.973 56.505 0.467 18250 8023 1 9 . 1 1 59 59 LEU CB C 59 42.976 42.976 42.123 0.853 18250 8024 1 9 . 1 1 59 59 LEU H H 59 7.513 7.513 7.536 -0.023 18250 8025 1 9 . 1 1 60 60 ARG N N 60 117.779 117.779 116.327 1.452 18250 8026 1 9 . 1 1 60 60 ARG HA H 60 3.957 3.957 4.148 -0.191 18250 8027 1 9 . 1 1 60 60 ARG C C 60 177.342 177.342 176.757 0.585 18250 8028 1 9 . 1 1 60 60 ARG CA C 60 57.901 57.901 56.694 1.207 18250 8029 1 9 . 1 1 60 60 ARG CB C 60 31.153 31.153 31.368 -0.215 18250 8030 1 9 . 1 1 60 60 ARG H H 60 8.072 8.072 7.411 0.661 18250 8031 1 9 . 1 1 61 61 TYR N N 61 119.056 119.056 116.124 2.932 18250 8032 1 9 . 1 1 61 61 TYR HA H 61 4.744 4.744 4.761 -0.017 18250 8033 1 9 . 1 1 61 61 TYR C C 61 175.214 175.214 175.461 -0.247 18250 8034 1 9 . 1 1 61 61 TYR CA C 61 56.294 56.294 55.368 0.926 18250 8035 1 9 . 1 1 61 61 TYR CB C 61 37.024 37.024 37.584 -0.560 18250 8036 1 9 . 1 1 61 61 TYR H H 61 8.050 8.050 8.045 0.005 18250 8037 1 9 . 1 1 62 62 ARG N N 62 119.956 119.956 122.924 -2.968 18250 8038 1 9 . 1 1 62 62 ARG HA H 62 4.058 4.058 4.088 -0.030 18250 8039 1 9 . 1 1 62 62 ARG C C 62 178.183 178.183 177.767 0.416 18250 8040 1 9 . 1 1 62 62 ARG CA C 62 59.025 59.025 60.088 -1.063 18250 8041 1 9 . 1 1 62 62 ARG CB C 62 30.139 30.139 30.599 -0.460 18250 8042 1 9 . 1 1 62 62 ARG H H 62 7.419 7.419 8.435 -1.016 18250 8043 1 9 . 1 1 63 63 ARG HA H 63 4.222 4.222 4.098 0.124 18250 8044 1 9 . 1 1 63 63 ARG C C 63 177.387 177.387 178.242 -0.855 18250 8045 1 9 . 1 1 63 63 ARG CA C 63 57.730 57.730 59.286 -1.556 18250 8046 1 9 . 1 1 63 63 ARG CB C 63 29.179 29.179 29.238 -0.059 18250 8047 1 9 . 1 1 64 64 ALA N N 64 122.003 122.003 122.258 -0.255 18250 8048 1 9 . 1 1 64 64 ALA HA H 64 4.100 4.100 4.244 -0.144 18250 8049 1 9 . 1 1 64 64 ALA C C 64 179.975 179.975 179.618 0.357 18250 8050 1 9 . 1 1 64 64 ALA CA C 64 54.579 54.579 54.588 -0.009 18250 8051 1 9 . 1 1 64 64 ALA CB C 64 18.636 18.636 18.413 0.223 18250 8052 1 9 . 1 1 64 64 ALA H H 64 7.868 7.868 7.892 -0.024 18250 8053 1 9 . 1 1 65 65 PHE N N 65 115.858 115.858 119.598 -3.740 18250 8054 1 9 . 1 1 65 65 PHE HA H 65 4.800 4.800 4.489 0.311 18250 8055 1 9 . 1 1 65 65 PHE C C 65 177.376 177.376 177.664 -0.288 18250 8056 1 9 . 1 1 65 65 PHE CA C 65 58.222 58.222 61.402 -3.180 18250 8057 1 9 . 1 1 65 65 PHE CB C 65 38.877 38.877 39.505 -0.628 18250 8058 1 9 . 1 1 65 65 PHE H H 65 8.579 8.579 8.281 0.298 18250 8059 1 9 . 1 1 66 66 SER N N 66 116.942 116.942 115.642 1.300 18250 8060 1 9 . 1 1 66 66 SER HA H 66 4.223 4.223 4.294 -0.071 18250 8061 1 9 . 1 1 66 66 SER C C 66 176.472 176.472 175.579 0.893 18250 8062 1 9 . 1 1 66 66 SER CA C 66 61.764 61.764 61.505 0.258 18250 8063 1 9 . 1 1 66 66 SER CB C 66 63.012 63.012 62.739 0.273 18250 8064 1 9 . 1 1 66 66 SER H H 66 8.232 8.232 8.727 -0.495 18250 8065 1 9 . 1 1 67 67 ASP N N 67 121.623 121.623 121.499 0.124 18250 8066 1 9 . 1 1 67 67 ASP HA H 67 4.487 4.487 4.607 -0.120 18250 8067 1 9 . 1 1 67 67 ASP C C 67 178.404 178.404 177.676 0.728 18250 8068 1 9 . 1 1 67 67 ASP CA C 67 56.827 56.827 56.043 0.784 18250 8069 1 9 . 1 1 67 67 ASP CB C 67 40.176 40.176 41.371 -1.195 18250 8070 1 9 . 1 1 67 67 ASP H H 67 8.476 8.476 7.632 0.844 18250 8071 1 9 . 1 1 68 68 LEU N N 68 121.200 121.200 119.968 1.232 18250 8072 1 9 . 1 1 68 68 LEU HA H 68 4.104 4.104 4.107 -0.003 18250 8073 1 9 . 1 1 68 68 LEU C C 68 179.046 179.046 177.783 1.263 18250 8074 1 9 . 1 1 68 68 LEU CA C 68 57.972 57.972 57.267 0.705 18250 8075 1 9 . 1 1 68 68 LEU CB C 68 42.555 42.555 41.992 0.562 18250 8076 1 9 . 1 1 68 68 LEU H H 68 7.889 7.889 8.562 -0.673 18250 8077 1 9 . 1 1 69 69 THR N N 69 110.282 110.282 110.405 -0.123 18250 8078 1 9 . 1 1 69 69 THR HA H 69 4.086 4.086 3.717 0.369 18250 8079 1 9 . 1 1 69 69 THR C C 69 177.457 177.457 175.951 1.506 18250 8080 1 9 . 1 1 69 69 THR CA C 69 65.839 65.839 65.086 0.753 18250 8081 1 9 . 1 1 69 69 THR CB C 69 68.442 68.442 68.108 0.334 18250 8082 1 9 . 1 1 69 69 THR H H 69 8.493 8.493 7.545 0.948 18250 8083 1 9 . 1 1 70 70 SER N N 70 116.582 116.582 115.879 0.703 18250 8084 1 9 . 1 1 70 70 SER HA H 70 4.330 4.330 4.124 0.206 18250 8085 1 9 . 1 1 70 70 SER C C 70 175.607 175.607 176.796 -1.189 18250 8086 1 9 . 1 1 70 70 SER CA C 70 60.676 60.676 61.195 -0.519 18250 8087 1 9 . 1 1 70 70 SER CB C 70 63.301 63.301 62.911 0.390 18250 8088 1 9 . 1 1 70 70 SER H H 70 7.754 7.754 7.953 -0.199 18250 8089 1 9 . 1 1 71 71 GLN N N 71 119.129 119.129 121.397 -2.268 18250 8090 1 9 . 1 1 71 71 GLN HA H 71 4.108 4.108 4.164 -0.056 18250 8091 1 9 . 1 1 71 71 GLN C C 71 176.338 176.338 176.664 -0.326 18250 8092 1 9 . 1 1 71 71 GLN CA C 71 57.407 57.407 57.650 -0.243 18250 8093 1 9 . 1 1 71 71 GLN CB C 71 29.533 29.533 28.769 0.764 18250 8094 1 9 . 1 1 71 71 GLN H H 71 7.754 7.754 7.546 0.208 18250 8095 1 9 . 1 1 72 72 LEU N N 72 118.804 118.804 118.075 0.729 18250 8096 1 9 . 1 1 72 72 LEU HA H 72 4.312 4.312 4.473 -0.161 18250 8097 1 9 . 1 1 72 72 LEU C C 72 174.285 174.285 175.873 -1.588 18250 8098 1 9 . 1 1 72 72 LEU CA C 72 55.437 55.437 53.468 1.969 18250 8099 1 9 . 1 1 72 72 LEU CB C 72 43.888 43.888 42.070 1.818 18250 8100 1 9 . 1 1 72 72 LEU H H 72 7.577 7.577 7.278 0.299 18250 8101 1 9 . 1 1 73 73 HIS HA H 73 4.644 4.644 4.604 0.040 18250 8102 1 9 . 1 1 73 73 HIS C C 73 174.452 174.452 175.362 -0.910 18250 8103 1 9 . 1 1 73 73 HIS CA C 73 54.964 54.964 56.635 -1.671 18250 8104 1 9 . 1 1 73 73 HIS CB C 73 28.747 28.747 29.314 -0.567 18250 8105 1 9 . 1 1 74 74 ILE N N 74 122.470 122.470 129.336 -6.866 18250 8106 1 9 . 1 1 74 74 ILE HA H 74 4.207 4.207 4.120 0.087 18250 8107 1 9 . 1 1 74 74 ILE CA C 74 61.962 61.962 61.063 0.899 18250 8108 1 9 . 1 1 74 74 ILE CB C 74 38.952 38.952 38.018 0.934 18250 8109 1 9 . 1 1 74 74 ILE H H 74 8.767 8.767 8.836 -0.069 18250 8110 1 9 . 1 1 75 75 THR N N 75 120.535 120.535 122.544 -2.009 18250 8111 1 9 . 1 1 75 75 THR HA H 75 4.325 4.325 4.691 -0.366 18250 8112 1 9 . 1 1 75 75 THR H H 75 7.953 7.953 8.463 -0.510 18250 8113 1 9 . 1 1 77 77 GLY CA C 77 44.791 44.791 44.879 -0.088 18250 8114 1 9 . 1 1 78 78 THR N N 78 130.040 130.040 119.995 10.045 18250 8115 1 9 . 1 1 78 78 THR HA H 78 4.147 4.147 4.113 0.034 18250 8116 1 9 . 1 1 78 78 THR H H 78 8.795 8.795 8.130 0.665 18250 8117 1 9 . 1 1 79 79 ALA HA H 79 4.827 4.827 3.693 1.134 18250 8118 1 9 . 1 1 79 79 ALA C C 79 177.644 177.644 177.171 0.473 18250 8119 1 9 . 1 1 79 79 ALA CA C 79 51.117 51.117 50.571 0.546 18250 8120 1 9 . 1 1 79 79 ALA CB C 79 21.518 21.518 19.883 1.635 18250 8121 1 9 . 1 1 80 80 TYR N N 80 121.374 121.374 119.487 1.887 18250 8122 1 9 . 1 1 80 80 TYR HA H 80 4.648 4.648 3.713 0.935 18250 8123 1 9 . 1 1 80 80 TYR C C 80 176.560 176.560 177.089 -0.529 18250 8124 1 9 . 1 1 80 80 TYR CA C 80 60.846 60.846 61.152 -0.306 18250 8125 1 9 . 1 1 80 80 TYR CB C 80 38.165 38.165 37.930 0.235 18250 8126 1 9 . 1 1 80 80 TYR H H 80 8.858 8.858 8.125 0.733 18250 8127 1 9 . 1 1 81 81 GLN N N 81 115.124 115.124 118.672 -3.548 18250 8128 1 9 . 1 1 81 81 GLN HA H 81 3.802 3.802 3.839 -0.037 18250 8129 1 9 . 1 1 81 81 GLN C C 81 178.330 178.330 177.953 0.377 18250 8130 1 9 . 1 1 81 81 GLN CA C 81 59.911 59.911 58.968 0.944 18250 8131 1 9 . 1 1 81 81 GLN CB C 81 28.016 28.016 27.775 0.241 18250 8132 1 9 . 1 1 81 81 GLN H H 81 8.532 8.532 8.501 0.031 18250 8133 1 9 . 1 1 82 82 SER N N 82 114.423 114.423 115.394 -0.971 18250 8134 1 9 . 1 1 82 82 SER HA H 82 4.253 4.253 4.193 0.060 18250 8135 1 9 . 1 1 82 82 SER CA C 82 62.089 62.089 60.718 1.371 18250 8136 1 9 . 1 1 82 82 SER CB C 82 63.338 63.338 63.030 0.308 18250 8137 1 9 . 1 1 82 82 SER H H 82 7.356 7.356 7.514 -0.158 18250 8138 1 9 . 1 1 83 83 PHE HA H 83 3.937 3.937 4.063 -0.126 18250 8139 1 9 . 1 1 83 83 PHE C C 83 175.136 175.136 176.420 -1.284 18250 8140 1 9 . 1 1 83 83 PHE CA C 83 61.335 61.335 60.820 0.515 18250 8141 1 9 . 1 1 83 83 PHE CB C 83 39.433 39.433 39.312 0.121 18250 8142 1 9 . 1 1 84 84 GLU N N 84 119.917 119.917 118.772 1.145 18250 8143 1 9 . 1 1 84 84 GLU HA H 84 3.331 3.331 3.425 -0.094 18250 8144 1 9 . 1 1 84 84 GLU C C 84 177.012 177.012 178.266 -1.254 18250 8145 1 9 . 1 1 84 84 GLU CA C 84 59.146 59.146 59.287 -0.141 18250 8146 1 9 . 1 1 84 84 GLU CB C 84 30.460 30.460 28.860 1.600 18250 8147 1 9 . 1 1 84 84 GLU H H 84 8.659 8.659 8.295 0.364 18250 8148 1 9 . 1 1 85 85 GLN N N 85 115.027 115.027 117.176 -2.149 18250 8149 1 9 . 1 1 85 85 GLN HA H 85 3.888 3.888 3.949 -0.061 18250 8150 1 9 . 1 1 85 85 GLN C C 85 178.571 178.571 177.875 0.696 18250 8151 1 9 . 1 1 85 85 GLN CA C 85 59.103 59.103 58.267 0.836 18250 8152 1 9 . 1 1 85 85 GLN CB C 85 28.586 28.586 28.482 0.104 18250 8153 1 9 . 1 1 85 85 GLN H H 85 7.592 7.592 7.613 -0.021 18250 8154 1 9 . 1 1 86 86 VAL N N 86 118.481 118.481 116.590 1.891 18250 8155 1 9 . 1 1 86 86 VAL HA H 86 3.644 3.644 3.799 -0.155 18250 8156 1 9 . 1 1 86 86 VAL C C 86 177.898 177.898 178.361 -0.463 18250 8157 1 9 . 1 1 86 86 VAL CA C 86 66.100 66.100 64.417 1.683 18250 8158 1 9 . 1 1 86 86 VAL CB C 86 31.799 31.799 31.972 -0.173 18250 8159 1 9 . 1 1 86 86 VAL H H 86 7.164 7.164 7.206 -0.042 18250 8160 1 9 . 1 1 87 87 VAL N N 87 119.825 119.825 117.892 1.933 18250 8161 1 9 . 1 1 87 87 VAL HA H 87 3.028 3.028 3.517 -0.489 18250 8162 1 9 . 1 1 87 87 VAL C C 87 177.853 177.853 177.269 0.584 18250 8163 1 9 . 1 1 87 87 VAL CA C 87 66.394 66.394 64.996 1.399 18250 8164 1 9 . 1 1 87 87 VAL CB C 87 31.044 31.044 30.319 0.725 18250 8165 1 9 . 1 1 87 87 VAL H H 87 7.980 7.980 7.655 0.325 18250 8166 1 9 . 1 1 88 88 ASN N N 88 117.625 117.625 119.275 -1.650 18250 8167 1 9 . 1 1 88 88 ASN HA H 88 4.283 4.283 4.501 -0.218 18250 8168 1 9 . 1 1 88 88 ASN C C 88 178.987 178.987 177.023 1.964 18250 8169 1 9 . 1 1 88 88 ASN CA C 88 55.449 55.449 56.224 -0.775 18250 8170 1 9 . 1 1 88 88 ASN CB C 88 37.329 37.329 38.365 -1.036 18250 8171 1 9 . 1 1 88 88 ASN H H 88 8.437 8.437 8.398 0.039 18250 8172 1 9 . 1 1 89 89 GLU N N 89 118.940 118.940 119.192 -0.252 18250 8173 1 9 . 1 1 89 89 GLU HA H 89 4.001 4.001 4.127 -0.126 18250 8174 1 9 . 1 1 89 89 GLU C C 89 179.305 179.305 178.672 0.633 18250 8175 1 9 . 1 1 89 89 GLU CA C 89 59.016 59.016 58.263 0.753 18250 8176 1 9 . 1 1 89 89 GLU CB C 89 29.120 29.120 29.476 -0.356 18250 8177 1 9 . 1 1 89 89 GLU H H 89 7.377 7.377 7.836 -0.459 18250 8178 1 9 . 1 1 90 90 LEU N N 90 120.797 120.797 120.261 0.536 18250 8179 1 9 . 1 1 90 90 LEU HA H 90 3.821 3.821 4.011 -0.190 18250 8180 1 9 . 1 1 90 90 LEU C C 90 178.249 178.249 178.409 -0.160 18250 8181 1 9 . 1 1 90 90 LEU CA C 90 57.491 57.491 57.489 0.002 18250 8182 1 9 . 1 1 90 90 LEU CB C 90 41.502 41.502 41.878 -0.376 18250 8183 1 9 . 1 1 90 90 LEU H H 90 7.608 7.608 7.411 0.197 18250 8184 1 9 . 1 1 91 91 PHE N N 91 113.366 113.366 118.765 -5.399 18250 8185 1 9 . 1 1 91 91 PHE HA H 91 4.532 4.532 4.088 0.444 18250 8186 1 9 . 1 1 91 91 PHE C C 91 176.475 176.475 177.569 -1.094 18250 8187 1 9 . 1 1 91 91 PHE CA C 91 57.504 57.504 61.102 -3.598 18250 8188 1 9 . 1 1 91 91 PHE CB C 91 39.470 39.470 39.273 0.197 18250 8189 1 9 . 1 1 91 91 PHE H H 91 7.024 7.024 7.919 -0.895 18250 8190 1 9 . 1 1 92 92 ARG N N 92 123.994 123.994 120.098 3.896 18250 8191 1 9 . 1 1 92 92 ARG HA H 92 3.965 3.965 4.165 -0.200 18250 8192 1 9 . 1 1 92 92 ARG C C 92 177.152 177.152 176.941 0.211 18250 8193 1 9 . 1 1 92 92 ARG CA C 92 59.743 59.743 57.668 2.075 18250 8194 1 9 . 1 1 92 92 ARG CB C 92 30.171 30.171 29.790 0.381 18250 8195 1 9 . 1 1 92 92 ARG H H 92 7.237 7.237 8.119 -0.882 18250 8196 1 9 . 1 1 93 93 ASP N N 93 116.866 116.866 117.585 -0.719 18250 8197 1 9 . 1 1 93 93 ASP HA H 93 4.823 4.823 4.566 0.257 18250 8198 1 9 . 1 1 93 93 ASP C C 93 175.589 175.589 176.271 -0.682 18250 8199 1 9 . 1 1 93 93 ASP CA C 93 54.068 54.068 53.942 0.126 18250 8200 1 9 . 1 1 93 93 ASP CB C 93 40.755 40.755 41.024 -0.269 18250 8201 1 9 . 1 1 93 93 ASP H H 93 8.711 8.711 7.625 1.086 18250 8202 1 9 . 1 1 94 94 GLY N N 94 108.978 108.978 107.897 1.081 18250 8203 1 9 . 1 1 94 94 GLY C C 94 172.635 172.635 174.134 -1.499 18250 8204 1 9 . 1 1 94 94 GLY CA C 94 43.818 43.818 44.696 -0.878 18250 8205 1 9 . 1 1 94 94 GLY H H 94 7.582 7.582 7.554 0.028 18250 8206 1 9 . 1 1 95 95 VAL N N 95 120.777 120.777 117.894 2.883 18250 8207 1 9 . 1 1 95 95 VAL HA H 95 3.545 3.545 3.281 0.264 18250 8208 1 9 . 1 1 95 95 VAL C C 95 174.452 174.452 174.781 -0.329 18250 8209 1 9 . 1 1 95 95 VAL CA C 95 62.875 62.875 63.145 -0.271 18250 8210 1 9 . 1 1 95 95 VAL CB C 95 32.148 32.148 31.029 1.119 18250 8211 1 9 . 1 1 95 95 VAL H H 95 8.293 8.293 7.069 1.224 18250 8212 1 9 . 1 1 96 96 ASN N N 96 116.198 116.198 126.508 -10.310 18250 8213 1 9 . 1 1 96 96 ASN HA H 96 4.070 4.070 4.479 -0.409 18250 8214 1 9 . 1 1 96 96 ASN C C 96 175.243 175.243 175.741 -0.498 18250 8215 1 9 . 1 1 96 96 ASN CA C 96 51.784 51.784 51.524 0.260 18250 8216 1 9 . 1 1 96 96 ASN CB C 96 39.849 39.849 40.553 -0.704 18250 8217 1 9 . 1 1 96 96 ASN H H 96 6.401 6.401 8.020 -1.619 18250 8218 1 9 . 1 1 97 97 TRP N N 97 118.776 118.776 121.911 -3.135 18250 8219 1 9 . 1 1 97 97 TRP HA H 97 4.588 4.588 4.437 0.151 18250 8220 1 9 . 1 1 97 97 TRP C C 97 178.207 178.207 178.002 0.205 18250 8221 1 9 . 1 1 97 97 TRP CA C 97 61.083 61.083 60.097 0.986 18250 8222 1 9 . 1 1 97 97 TRP CB C 97 30.676 30.676 29.391 1.285 18250 8223 1 9 . 1 1 97 97 TRP H H 97 8.530 8.530 8.921 -0.391 18250 8224 1 9 . 1 1 98 98 GLY N N 98 106.573 106.573 107.093 -0.520 18250 8225 1 9 . 1 1 98 98 GLY C C 98 177.485 177.485 176.074 1.411 18250 8226 1 9 . 1 1 98 98 GLY CA C 98 47.505 47.505 46.617 0.888 18250 8227 1 9 . 1 1 98 98 GLY H H 98 8.634 8.634 8.796 -0.162 18250 8228 1 9 . 1 1 99 99 ARG N N 99 121.627 121.627 121.798 -0.171 18250 8229 1 9 . 1 1 99 99 ARG HA H 99 3.999 3.999 4.158 -0.159 18250 8230 1 9 . 1 1 99 99 ARG C C 99 177.693 177.693 178.547 -0.854 18250 8231 1 9 . 1 1 99 99 ARG CA C 99 58.487 58.487 57.727 0.760 18250 8232 1 9 . 1 1 99 99 ARG CB C 99 31.363 31.363 29.624 1.739 18250 8233 1 9 . 1 1 99 99 ARG H H 99 8.214 8.214 7.866 0.348 18250 8234 1 9 . 1 1 100 100 ILE N N 100 121.379 121.379 120.275 1.104 18250 8235 1 9 . 1 1 100 100 ILE HA H 100 3.986 3.986 3.983 0.003 18250 8236 1 9 . 1 1 100 100 ILE C C 100 178.143 178.143 177.831 0.312 18250 8237 1 9 . 1 1 100 100 ILE CA C 100 67.148 67.148 65.051 2.097 18250 8238 1 9 . 1 1 100 100 ILE CB C 100 37.099 37.099 37.569 -0.470 18250 8239 1 9 . 1 1 100 100 ILE H H 100 7.810 7.810 7.153 0.657 18250 8240 1 9 . 1 1 101 101 VAL N N 101 121.444 121.444 120.323 1.121 18250 8241 1 9 . 1 1 101 101 VAL HA H 101 3.458 3.458 3.424 0.034 18250 8242 1 9 . 1 1 101 101 VAL C C 101 177.752 177.752 177.710 0.042 18250 8243 1 9 . 1 1 101 101 VAL CA C 101 68.165 68.165 67.262 0.903 18250 8244 1 9 . 1 1 101 101 VAL CB C 101 31.423 31.423 30.924 0.499 18250 8245 1 9 . 1 1 101 101 VAL H H 101 8.378 8.378 7.502 0.876 18250 8246 1 9 . 1 1 102 102 ALA N N 102 121.864 121.864 122.279 -0.415 18250 8247 1 9 . 1 1 102 102 ALA HA H 102 3.174 3.174 3.202 -0.028 18250 8248 1 9 . 1 1 102 102 ALA C C 102 178.223 178.223 178.828 -0.605 18250 8249 1 9 . 1 1 102 102 ALA CA C 102 55.256 55.256 54.492 0.764 18250 8250 1 9 . 1 1 102 102 ALA CB C 102 18.631 18.631 17.490 1.141 18250 8251 1 9 . 1 1 102 102 ALA H H 102 7.693 7.693 7.802 -0.109 18250 8252 1 9 . 1 1 103 103 PHE N N 103 119.560 119.560 119.753 -0.193 18250 8253 1 9 . 1 1 103 103 PHE HA H 103 3.986 3.986 4.247 -0.261 18250 8254 1 9 . 1 1 103 103 PHE C C 103 176.264 176.264 177.408 -1.144 18250 8255 1 9 . 1 1 103 103 PHE CA C 103 60.811 60.811 61.189 -0.378 18250 8256 1 9 . 1 1 103 103 PHE CB C 103 38.585 38.585 39.242 -0.657 18250 8257 1 9 . 1 1 103 103 PHE H H 103 8.096 8.096 8.070 0.026 18250 8258 1 9 . 1 1 104 104 PHE N N 104 120.694 120.694 116.809 3.885 18250 8259 1 9 . 1 1 104 104 PHE HA H 104 3.347 3.347 4.154 -0.807 18250 8260 1 9 . 1 1 104 104 PHE C C 104 177.604 177.604 178.008 -0.404 18250 8261 1 9 . 1 1 104 104 PHE CA C 104 62.995 62.995 60.065 2.930 18250 8262 1 9 . 1 1 104 104 PHE CB C 104 36.626 36.626 38.199 -1.573 18250 8263 1 9 . 1 1 104 104 PHE H H 104 8.087 8.087 8.737 -0.650 18250 8264 1 9 . 1 1 105 105 SER N N 105 114.775 114.775 116.504 -1.729 18250 8265 1 9 . 1 1 105 105 SER HA H 105 4.444 4.444 4.400 0.044 18250 8266 1 9 . 1 1 105 105 SER C C 105 177.605 177.605 176.597 1.008 18250 8267 1 9 . 1 1 105 105 SER CA C 105 63.767 63.767 62.338 1.429 18250 8268 1 9 . 1 1 105 105 SER CB C 105 63.409 63.409 62.924 0.485 18250 8269 1 9 . 1 1 105 105 SER H H 105 8.514 8.514 8.193 0.321 18250 8270 1 9 . 1 1 106 106 PHE N N 106 124.632 124.632 122.357 2.275 18250 8271 1 9 . 1 1 106 106 PHE HA H 106 4.071 4.071 4.432 -0.361 18250 8272 1 9 . 1 1 106 106 PHE C C 106 176.639 176.639 178.366 -1.727 18250 8273 1 9 . 1 1 106 106 PHE CA C 106 60.185 60.185 60.340 -0.155 18250 8274 1 9 . 1 1 106 106 PHE CB C 106 38.639 38.639 38.066 0.573 18250 8275 1 9 . 1 1 106 106 PHE H H 106 9.146 9.146 8.468 0.678 18250 8276 1 9 . 1 1 107 107 GLY N N 107 106.495 106.495 106.490 0.005 18250 8277 1 9 . 1 1 107 107 GLY C C 107 176.647 176.647 176.667 -0.020 18250 8278 1 9 . 1 1 107 107 GLY CA C 107 47.998 47.998 47.323 0.675 18250 8279 1 9 . 1 1 107 107 GLY H H 107 8.063 8.063 8.103 -0.040 18250 8280 1 9 . 1 1 108 108 GLY N N 108 107.786 107.786 109.519 -1.733 18250 8281 1 9 . 1 1 108 108 GLY C C 108 174.589 174.589 175.678 -1.089 18250 8282 1 9 . 1 1 108 108 GLY CA C 108 47.931 47.931 46.977 0.953 18250 8283 1 9 . 1 1 108 108 GLY H H 108 8.900 8.900 7.956 0.944 18250 8284 1 9 . 1 1 109 109 ALA N N 109 124.959 124.959 125.195 -0.236 18250 8285 1 9 . 1 1 109 109 ALA HA H 109 4.216 4.216 4.350 -0.134 18250 8286 1 9 . 1 1 109 109 ALA C C 109 181.113 181.113 179.838 1.275 18250 8287 1 9 . 1 1 109 109 ALA CA C 109 55.098 55.098 54.731 0.367 18250 8288 1 9 . 1 1 109 109 ALA CB C 109 18.418 18.418 18.372 0.046 18250 8289 1 9 . 1 1 109 109 ALA H H 109 8.343 8.343 7.526 0.817 18250 8290 1 9 . 1 1 110 110 LEU N N 110 119.336 119.336 119.391 -0.055 18250 8291 1 9 . 1 1 110 110 LEU HA H 110 4.017 4.017 3.980 0.037 18250 8292 1 9 . 1 1 110 110 LEU C C 110 180.100 180.100 179.298 0.802 18250 8293 1 9 . 1 1 110 110 LEU CA C 110 57.400 57.400 58.237 -0.837 18250 8294 1 9 . 1 1 110 110 LEU CB C 110 42.562 42.562 41.764 0.798 18250 8295 1 9 . 1 1 110 110 LEU H H 110 8.296 8.296 8.656 -0.360 18250 8296 1 9 . 1 1 111 111 CYS N N 111 119.466 119.466 116.838 2.628 18250 8297 1 9 . 1 1 111 111 CYS HA H 111 3.818 3.818 3.999 -0.181 18250 8298 1 9 . 1 1 111 111 CYS C C 111 175.954 175.954 177.016 -1.062 18250 8299 1 9 . 1 1 111 111 CYS CA C 111 64.665 64.665 64.900 -0.235 18250 8300 1 9 . 1 1 111 111 CYS CB C 111 26.724 26.724 26.799 -0.075 18250 8301 1 9 . 1 1 111 111 CYS H H 111 8.207 8.207 8.515 -0.308 18250 8302 1 9 . 1 1 112 112 VAL N N 112 119.086 119.086 120.321 -1.235 18250 8303 1 9 . 1 1 112 112 VAL HA H 112 3.379 3.379 3.636 -0.257 18250 8304 1 9 . 1 1 112 112 VAL C C 112 177.356 177.356 177.789 -0.433 18250 8305 1 9 . 1 1 112 112 VAL CA C 112 67.316 67.316 67.196 0.120 18250 8306 1 9 . 1 1 112 112 VAL CB C 112 31.944 31.944 31.827 0.117 18250 8307 1 9 . 1 1 112 112 VAL H H 112 8.110 8.110 7.605 0.505 18250 8308 1 9 . 1 1 113 113 GLU N N 113 119.448 119.448 118.627 0.821 18250 8309 1 9 . 1 1 113 113 GLU HA H 113 4.094 4.094 4.029 0.065 18250 8310 1 9 . 1 1 113 113 GLU C C 113 178.264 178.264 179.282 -1.018 18250 8311 1 9 . 1 1 113 113 GLU CA C 113 59.336 59.336 59.334 0.002 18250 8312 1 9 . 1 1 113 113 GLU CB C 113 29.326 29.326 29.041 0.285 18250 8313 1 9 . 1 1 113 113 GLU H H 113 8.190 8.190 8.432 -0.242 18250 8314 1 9 . 1 1 114 114 SER N N 114 113.847 113.847 116.116 -2.269 18250 8315 1 9 . 1 1 114 114 SER HA H 114 3.886 3.886 4.223 -0.337 18250 8316 1 9 . 1 1 114 114 SER C C 114 175.485 175.485 176.227 -0.742 18250 8317 1 9 . 1 1 114 114 SER CA C 114 63.249 63.249 61.592 1.657 18250 8318 1 9 . 1 1 114 114 SER CB C 114 62.229 62.229 62.972 -0.743 18250 8319 1 9 . 1 1 114 114 SER H H 114 7.757 7.757 8.089 -0.332 18250 8320 1 9 . 1 1 115 115 VAL N N 115 121.093 121.093 121.312 -0.219 18250 8321 1 9 . 1 1 115 115 VAL HA H 115 3.201 3.201 3.375 -0.174 18250 8322 1 9 . 1 1 115 115 VAL C C 115 179.471 179.471 178.103 1.368 18250 8323 1 9 . 1 1 115 115 VAL CA C 115 66.746 66.746 66.342 0.404 18250 8324 1 9 . 1 1 115 115 VAL CB C 115 31.412 31.412 31.255 0.157 18250 8325 1 9 . 1 1 115 115 VAL H H 115 7.423 7.423 7.572 -0.149 18250 8326 1 9 . 1 1 116 116 ASP N N 116 123.023 123.023 120.455 2.568 18250 8327 1 9 . 1 1 116 116 ASP HA H 116 4.398 4.398 4.418 -0.020 18250 8328 1 9 . 1 1 116 116 ASP C C 116 178.029 178.029 177.328 0.701 18250 8329 1 9 . 1 1 116 116 ASP CA C 116 57.471 57.471 56.468 1.003 18250 8330 1 9 . 1 1 116 116 ASP CB C 116 41.004 41.004 41.033 -0.029 18250 8331 1 9 . 1 1 116 116 ASP H H 116 8.365 8.365 8.166 0.199 18250 8332 1 9 . 1 1 117 117 LYS N N 117 116.212 116.212 117.906 -1.694 18250 8333 1 9 . 1 1 117 117 LYS HA H 117 4.384 4.384 4.310 0.074 18250 8334 1 9 . 1 1 117 117 LYS C C 117 175.049 175.049 175.620 -0.571 18250 8335 1 9 . 1 1 117 117 LYS CA C 117 55.685 55.685 56.386 -0.701 18250 8336 1 9 . 1 1 117 117 LYS CB C 117 32.317 32.317 32.596 -0.279 18250 8337 1 9 . 1 1 117 117 LYS H H 117 7.698 7.698 7.335 0.363 18250 8338 1 9 . 1 1 118 118 GLU N N 118 114.271 114.271 113.907 0.364 18250 8339 1 9 . 1 1 118 118 GLU HA H 118 3.973 3.973 3.814 0.159 18250 8340 1 9 . 1 1 118 118 GLU C C 118 176.065 176.065 175.773 0.292 18250 8341 1 9 . 1 1 118 118 GLU CA C 118 57.766 57.766 57.764 0.001 18250 8342 1 9 . 1 1 118 118 GLU CB C 118 26.540 26.540 27.627 -1.087 18250 8343 1 9 . 1 1 118 118 GLU H H 118 7.959 7.959 8.107 -0.148 18250 8344 1 9 . 1 1 119 119 MET N N 119 119.260 119.260 118.885 0.375 18250 8345 1 9 . 1 1 119 119 MET HA H 119 4.822 4.822 4.536 0.286 18250 8346 1 9 . 1 1 119 119 MET C C 119 176.817 176.817 175.698 1.119 18250 8347 1 9 . 1 1 119 119 MET CA C 119 53.675 53.675 54.554 -0.879 18250 8348 1 9 . 1 1 119 119 MET CB C 119 31.867 31.867 30.967 0.900 18250 8349 1 9 . 1 1 119 119 MET H H 119 8.542 8.542 8.363 0.179 18250 8350 1 9 . 1 1 120 120 GLN N N 120 119.766 119.766 120.416 -0.650 18250 8351 1 9 . 1 1 120 120 GLN HA H 120 3.489 3.489 3.794 -0.305 18250 8352 1 9 . 1 1 120 120 GLN C C 120 177.471 177.471 177.351 0.120 18250 8353 1 9 . 1 1 120 120 GLN CA C 120 60.166 60.166 58.020 2.146 18250 8354 1 9 . 1 1 120 120 GLN CB C 120 27.667 27.667 28.497 -0.830 18250 8355 1 9 . 1 1 120 120 GLN H H 120 8.796 8.796 7.842 0.954 18250 8356 1 9 . 1 1 121 121 VAL N N 121 117.292 117.292 113.266 4.026 18250 8357 1 9 . 1 1 121 121 VAL HA H 121 4.056 4.056 3.973 0.083 18250 8358 1 9 . 1 1 121 121 VAL C C 121 175.676 175.676 176.593 -0.917 18250 8359 1 9 . 1 1 121 121 VAL CA C 121 63.612 63.612 63.986 -0.374 18250 8360 1 9 . 1 1 121 121 VAL CB C 121 31.494 31.494 31.795 -0.301 18250 8361 1 9 . 1 1 121 121 VAL H H 121 7.959 7.959 7.681 0.278 18250 8362 1 9 . 1 1 122 122 LEU N N 122 117.436 117.436 120.578 -3.142 18250 8363 1 9 . 1 1 122 122 LEU HA H 122 3.872 3.872 4.045 -0.173 18250 8364 1 9 . 1 1 122 122 LEU C C 122 177.962 177.962 178.530 -0.568 18250 8365 1 9 . 1 1 122 122 LEU CA C 122 55.528 55.528 57.673 -2.145 18250 8366 1 9 . 1 1 122 122 LEU CB C 122 41.369 41.369 41.395 -0.026 18250 8367 1 9 . 1 1 122 122 LEU H H 122 7.887 7.887 7.136 0.751 18250 8368 1 9 . 1 1 123 123 VAL N N 123 120.028 120.028 119.483 0.545 18250 8369 1 9 . 1 1 123 123 VAL HA H 123 3.379 3.379 3.530 -0.151 18250 8370 1 9 . 1 1 123 123 VAL C C 123 177.040 177.040 176.725 0.315 18250 8371 1 9 . 1 1 123 123 VAL CA C 123 67.817 67.817 66.398 1.419 18250 8372 1 9 . 1 1 123 123 VAL CB C 123 30.889 30.889 31.608 -0.719 18250 8373 1 9 . 1 1 123 123 VAL H H 123 7.444 7.444 7.376 0.068 18250 8374 1 9 . 1 1 124 124 SER N N 124 111.168 111.168 112.838 -1.670 18250 8375 1 9 . 1 1 124 124 SER HA H 124 3.979 3.979 4.245 -0.266 18250 8376 1 9 . 1 1 124 124 SER C C 124 177.070 177.070 175.685 1.385 18250 8377 1 9 . 1 1 124 124 SER CA C 124 61.254 61.254 60.739 0.515 18250 8378 1 9 . 1 1 124 124 SER CB C 124 62.403 62.403 62.857 -0.454 18250 8379 1 9 . 1 1 124 124 SER H H 124 8.394 8.394 8.207 0.187 18250 8380 1 9 . 1 1 125 125 ARG N N 125 123.526 123.526 121.394 2.132 18250 8381 1 9 . 1 1 125 125 ARG HA H 125 3.710 3.710 3.847 -0.137 18250 8382 1 9 . 1 1 125 125 ARG C C 125 175.751 175.751 177.055 -1.304 18250 8383 1 9 . 1 1 125 125 ARG CA C 125 58.738 58.738 57.697 1.041 18250 8384 1 9 . 1 1 125 125 ARG CB C 125 29.845 29.845 29.791 0.054 18250 8385 1 9 . 1 1 125 125 ARG H H 125 6.696 6.696 7.261 -0.565 18250 8386 1 9 . 1 1 126 126 ILE N N 126 118.795 118.795 121.312 -2.517 18250 8387 1 9 . 1 1 126 126 ILE HA H 126 2.855 2.855 3.177 -0.322 18250 8388 1 9 . 1 1 126 126 ILE C C 126 177.974 177.974 177.335 0.639 18250 8389 1 9 . 1 1 126 126 ILE CA C 126 64.959 64.959 65.706 -0.747 18250 8390 1 9 . 1 1 126 126 ILE CB C 126 37.666 37.666 37.563 0.103 18250 8391 1 9 . 1 1 126 126 ILE H H 126 8.124 8.124 7.954 0.170 18250 8392 1 9 . 1 1 127 127 ALA N N 127 119.674 119.674 120.679 -1.005 18250 8393 1 9 . 1 1 127 127 ALA HA H 127 3.902 3.902 3.849 0.053 18250 8394 1 9 . 1 1 127 127 ALA C C 127 179.395 179.395 178.986 0.409 18250 8395 1 9 . 1 1 127 127 ALA CA C 127 55.287 55.287 55.066 0.221 18250 8396 1 9 . 1 1 127 127 ALA CB C 127 18.520 18.520 17.943 0.577 18250 8397 1 9 . 1 1 127 127 ALA H H 127 7.711 7.711 7.571 0.140 18250 8398 1 9 . 1 1 128 128 ALA N N 128 120.850 120.850 121.710 -0.860 18250 8399 1 9 . 1 1 128 128 ALA HA H 128 4.173 4.173 4.083 0.090 18250 8400 1 9 . 1 1 128 128 ALA C C 128 181.038 181.038 179.561 1.477 18250 8401 1 9 . 1 1 128 128 ALA CA C 128 55.261 55.261 54.767 0.494 18250 8402 1 9 . 1 1 128 128 ALA CB C 128 17.822 17.822 18.058 -0.236 18250 8403 1 9 . 1 1 128 128 ALA H H 128 7.356 7.356 7.317 0.039 18250 8404 1 9 . 1 1 129 129 TRP N N 129 121.648 121.648 118.819 2.829 18250 8405 1 9 . 1 1 129 129 TRP C C 129 179.558 179.558 179.159 0.399 18250 8406 1 9 . 1 1 129 129 TRP CA C 129 57.788 57.788 58.556 -0.768 18250 8407 1 9 . 1 1 129 129 TRP CB C 129 28.918 28.918 27.966 0.952 18250 8408 1 9 . 1 1 129 129 TRP H H 129 9.087 9.087 8.009 1.078 18250 8409 1 9 . 1 1 130 130 MET N N 130 117.535 117.535 118.523 -0.988 18250 8410 1 9 . 1 1 130 130 MET HA H 130 4.345 4.345 4.686 -0.341 18250 8411 1 9 . 1 1 130 130 MET C C 130 178.170 178.170 178.636 -0.466 18250 8412 1 9 . 1 1 130 130 MET CA C 130 60.179 60.179 59.804 0.375 18250 8413 1 9 . 1 1 130 130 MET CB C 130 34.928 34.928 32.197 2.731 18250 8414 1 9 . 1 1 130 130 MET H H 130 9.031 9.031 8.516 0.515 18250 8415 1 9 . 1 1 131 131 ALA N N 131 120.973 120.973 122.038 -1.065 18250 8416 1 9 . 1 1 131 131 ALA HA H 131 4.100 4.100 4.109 -0.010 18250 8417 1 9 . 1 1 131 131 ALA C C 131 176.249 176.249 179.597 -3.348 18250 8418 1 9 . 1 1 131 131 ALA CA C 131 56.176 56.176 55.380 0.796 18250 8419 1 9 . 1 1 131 131 ALA CB C 131 17.634 17.634 18.064 -0.430 18250 8420 1 9 . 1 1 131 131 ALA H H 131 8.274 8.274 8.299 -0.025 18250 8421 1 9 . 1 1 132 132 THR N N 132 117.211 117.211 117.493 -0.282 18250 8422 1 9 . 1 1 132 132 THR HA H 132 3.959 3.959 3.898 0.061 18250 8423 1 9 . 1 1 132 132 THR C C 132 175.035 175.035 176.208 -1.173 18250 8424 1 9 . 1 1 132 132 THR CA C 132 67.312 67.312 67.744 -0.432 18250 8425 1 9 . 1 1 132 132 THR CB C 132 69.177 69.177 68.817 0.360 18250 8426 1 9 . 1 1 132 132 THR H H 132 8.648 8.648 8.358 0.290 18250 8427 1 9 . 1 1 133 133 TYR N N 133 123.705 123.705 123.689 0.016 18250 8428 1 9 . 1 1 133 133 TYR HA H 133 4.018 4.018 4.201 -0.183 18250 8429 1 9 . 1 1 133 133 TYR C C 133 179.551 179.551 177.639 1.912 18250 8430 1 9 . 1 1 133 133 TYR CA C 133 63.577 63.577 61.698 1.879 18250 8431 1 9 . 1 1 133 133 TYR CB C 133 39.312 39.312 38.658 0.654 18250 8432 1 9 . 1 1 133 133 TYR H H 133 8.964 8.964 8.325 0.639 18250 8433 1 9 . 1 1 134 134 LEU N N 134 119.671 119.671 120.249 -0.578 18250 8434 1 9 . 1 1 134 134 LEU HA H 134 3.832 3.832 3.951 -0.119 18250 8435 1 9 . 1 1 134 134 LEU C C 134 178.321 178.321 178.399 -0.078 18250 8436 1 9 . 1 1 134 134 LEU CA C 134 59.586 59.586 58.285 1.301 18250 8437 1 9 . 1 1 134 134 LEU CB C 134 42.898 42.898 42.022 0.876 18250 8438 1 9 . 1 1 134 134 LEU H H 134 8.853 8.853 8.900 -0.047 18250 8439 1 9 . 1 1 135 135 ASN N N 135 117.661 117.661 116.675 0.986 18250 8440 1 9 . 1 1 135 135 ASN HA H 135 4.353 4.353 4.626 -0.273 18250 8441 1 9 . 1 1 135 135 ASN C C 135 176.407 176.407 177.026 -0.619 18250 8442 1 9 . 1 1 135 135 ASN CA C 135 56.883 56.883 55.878 1.005 18250 8443 1 9 . 1 1 135 135 ASN CB C 135 39.219 39.219 38.758 0.461 18250 8444 1 9 . 1 1 135 135 ASN H H 135 8.455 8.455 8.334 0.121 18250 8445 1 9 . 1 1 136 136 ASP N N 136 115.939 115.939 118.452 -2.513 18250 8446 1 9 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.633 -0.298 18250 8447 1 9 . 1 1 136 136 ASP C C 136 177.798 177.798 177.616 0.182 18250 8448 1 9 . 1 1 136 136 ASP CA C 136 56.501 56.501 57.038 -0.537 18250 8449 1 9 . 1 1 136 136 ASP CB C 136 40.861 40.861 41.833 -0.972 18250 8450 1 9 . 1 1 136 136 ASP H H 136 8.580 8.580 8.542 0.038 18250 8451 1 9 . 1 1 137 137 HIS N N 137 112.071 112.071 117.875 -5.804 18250 8452 1 9 . 1 1 137 137 HIS HA H 137 4.552 4.552 4.350 0.202 18250 8453 1 9 . 1 1 137 137 HIS C C 137 175.780 175.780 177.069 -1.289 18250 8454 1 9 . 1 1 137 137 HIS CA C 137 56.529 56.529 57.139 -0.611 18250 8455 1 9 . 1 1 137 137 HIS CB C 137 30.890 30.890 31.359 -0.469 18250 8456 1 9 . 1 1 137 137 HIS H H 137 8.202 8.202 7.816 0.386 18250 8457 1 9 . 1 1 138 138 LEU N N 138 117.363 117.363 120.781 -3.418 18250 8458 1 9 . 1 1 138 138 LEU HA H 138 4.550 4.550 4.300 0.250 18250 8459 1 9 . 1 1 138 138 LEU C C 138 176.369 176.369 178.130 -1.761 18250 8460 1 9 . 1 1 138 138 LEU CA C 138 55.696 55.696 56.528 -0.832 18250 8461 1 9 . 1 1 138 138 LEU CB C 138 43.465 43.465 42.057 1.408 18250 8462 1 9 . 1 1 138 138 LEU H H 138 7.306 7.306 8.073 -0.767 18250 8463 1 9 . 1 1 139 139 GLU N N 139 121.917 121.917 120.288 1.629 18250 8464 1 9 . 1 1 139 139 GLU HA H 139 4.351 4.351 4.053 0.298 18250 8465 1 9 . 1 1 139 139 GLU C C 139 173.816 173.816 175.728 -1.912 18250 8466 1 9 . 1 1 139 139 GLU CA C 139 60.529 60.529 61.627 -1.098 18250 8467 1 9 . 1 1 139 139 GLU CB C 139 27.774 27.774 27.412 0.362 18250 8468 1 9 . 1 1 139 139 GLU H H 139 8.706 8.706 8.625 0.081 18250 8469 1 9 . 1 1 140 140 PRO HA H 140 4.234 4.234 4.189 0.045 18250 8470 1 9 . 1 1 140 140 PRO C C 140 179.159 179.159 178.737 0.422 18250 8471 1 9 . 1 1 140 140 PRO CA C 140 66.582 66.582 65.802 0.780 18250 8472 1 9 . 1 1 140 140 PRO CB C 140 30.747 30.747 31.425 -0.678 18250 8473 1 9 . 1 1 141 141 TRP N N 141 118.367 118.367 119.068 -0.701 18250 8474 1 9 . 1 1 141 141 TRP HA H 141 3.855 3.855 4.399 -0.544 18250 8475 1 9 . 1 1 141 141 TRP C C 141 179.411 179.411 177.774 1.637 18250 8476 1 9 . 1 1 141 141 TRP CA C 141 62.205 62.205 60.966 1.239 18250 8477 1 9 . 1 1 141 141 TRP CB C 141 28.928 28.928 29.718 -0.790 18250 8478 1 9 . 1 1 141 141 TRP H H 141 7.195 7.195 7.595 -0.400 18250 8479 1 9 . 1 1 142 142 ILE N N 142 122.553 122.553 120.224 2.329 18250 8480 1 9 . 1 1 142 142 ILE HA H 142 2.891 2.891 3.260 -0.369 18250 8481 1 9 . 1 1 142 142 ILE C C 142 178.924 178.924 178.059 0.865 18250 8482 1 9 . 1 1 142 142 ILE CA C 142 66.241 66.241 65.358 0.883 18250 8483 1 9 . 1 1 142 142 ILE CB C 142 38.314 38.314 37.556 0.757 18250 8484 1 9 . 1 1 142 142 ILE H H 142 8.511 8.511 8.212 0.299 18250 8485 1 9 . 1 1 143 143 GLN N N 143 116.777 116.777 118.238 -1.461 18250 8486 1 9 . 1 1 143 143 GLN HA H 143 3.920 3.920 3.941 -0.021 18250 8487 1 9 . 1 1 143 143 GLN C C 143 179.455 179.455 178.407 1.048 18250 8488 1 9 . 1 1 143 143 GLN CA C 143 58.567 58.567 58.702 -0.134 18250 8489 1 9 . 1 1 143 143 GLN CB C 143 28.068 28.068 28.146 -0.078 18250 8490 1 9 . 1 1 143 143 GLN H H 143 8.514 8.514 8.477 0.037 18250 8491 1 9 . 1 1 144 144 GLU N N 144 119.467 119.467 118.760 0.707 18250 8492 1 9 . 1 1 144 144 GLU HA H 144 4.084 4.084 4.019 0.065 18250 8493 1 9 . 1 1 144 144 GLU C C 144 176.785 176.785 177.650 -0.865 18250 8494 1 9 . 1 1 144 144 GLU CA C 144 57.902 57.902 58.455 -0.553 18250 8495 1 9 . 1 1 144 144 GLU CB C 144 29.915 29.915 29.360 0.555 18250 8496 1 9 . 1 1 144 144 GLU H H 144 7.646 7.646 7.784 -0.138 18250 8497 1 9 . 1 1 145 145 ASN N N 145 116.904 116.904 114.767 2.137 18250 8498 1 9 . 1 1 145 145 ASN HA H 145 4.454 4.454 4.578 -0.124 18250 8499 1 9 . 1 1 145 145 ASN C C 145 173.890 173.890 175.266 -1.376 18250 8500 1 9 . 1 1 145 145 ASN CA C 145 53.652 53.652 53.045 0.607 18250 8501 1 9 . 1 1 145 145 ASN CB C 145 38.204 38.204 38.960 -0.756 18250 8502 1 9 . 1 1 145 145 ASN H H 145 7.195 7.195 7.406 -0.211 18250 8503 1 9 . 1 1 146 146 GLY N N 146 105.175 105.175 106.757 -1.582 18250 8504 1 9 . 1 1 146 146 GLY C C 146 175.977 175.977 173.924 2.053 18250 8505 1 9 . 1 1 146 146 GLY CA C 146 45.723 45.723 44.819 0.904 18250 8506 1 9 . 1 1 146 146 GLY H H 146 7.438 7.438 7.769 -0.331 18250 8507 1 9 . 1 1 147 147 GLY N N 147 108.769 108.769 108.208 0.561 18250 8508 1 9 . 1 1 147 147 GLY C C 147 173.367 173.367 175.088 -1.721 18250 8509 1 9 . 1 1 147 147 GLY CA C 147 44.532 44.532 44.483 0.049 18250 8510 1 9 . 1 1 147 147 GLY H H 147 8.580 8.580 7.618 0.962 18250 8511 1 9 . 1 1 148 148 TRP N N 148 118.433 118.433 122.906 -4.473 18250 8512 1 9 . 1 1 148 148 TRP HA H 148 4.431 4.431 4.518 -0.087 18250 8513 1 9 . 1 1 148 148 TRP C C 148 178.434 178.434 177.469 0.965 18250 8514 1 9 . 1 1 148 148 TRP CA C 148 60.558 60.558 60.152 0.406 18250 8515 1 9 . 1 1 148 148 TRP CB C 148 29.872 29.872 29.719 0.153 18250 8516 1 9 . 1 1 148 148 TRP H H 148 8.715 8.715 8.779 -0.064 18250 8517 1 9 . 1 1 149 149 ASP N N 149 118.214 118.214 117.577 0.637 18250 8518 1 9 . 1 1 149 149 ASP HA H 149 4.446 4.446 4.359 0.087 18250 8519 1 9 . 1 1 149 149 ASP C C 149 179.629 179.629 177.648 1.981 18250 8520 1 9 . 1 1 149 149 ASP CA C 149 57.850 57.850 56.881 0.969 18250 8521 1 9 . 1 1 149 149 ASP CB C 149 40.379 40.379 39.555 0.824 18250 8522 1 9 . 1 1 149 149 ASP H H 149 8.897 8.897 8.757 0.140 18250 8523 1 9 . 1 1 150 150 THR N N 150 117.183 117.183 116.240 0.943 18250 8524 1 9 . 1 1 150 150 THR HA H 150 4.010 4.010 4.045 -0.035 18250 8525 1 9 . 1 1 150 150 THR C C 150 175.220 175.220 175.746 -0.526 18250 8526 1 9 . 1 1 150 150 THR CA C 150 66.376 66.376 66.102 0.274 18250 8527 1 9 . 1 1 150 150 THR CB C 150 68.344 68.344 68.661 -0.317 18250 8528 1 9 . 1 1 150 150 THR H H 150 7.632 7.632 7.534 0.098 18250 8529 1 9 . 1 1 151 151 PHE N N 151 122.603 122.603 121.517 1.086 18250 8530 1 9 . 1 1 151 151 PHE HA H 151 4.423 4.423 3.624 0.799 18250 8531 1 9 . 1 1 151 151 PHE C C 151 176.703 176.703 176.605 0.098 18250 8532 1 9 . 1 1 151 151 PHE CA C 151 61.847 61.847 59.693 2.154 18250 8533 1 9 . 1 1 151 151 PHE CB C 151 37.952 37.952 38.612 -0.660 18250 8534 1 9 . 1 1 151 151 PHE H H 151 6.638 6.638 7.059 -0.421 18250 8535 1 9 . 1 1 152 152 VAL N N 152 117.675 117.675 117.907 -0.232 18250 8536 1 9 . 1 1 152 152 VAL HA H 152 3.065 3.065 3.362 -0.297 18250 8537 1 9 . 1 1 152 152 VAL C C 152 178.313 178.313 178.336 -0.023 18250 8538 1 9 . 1 1 152 152 VAL CA C 152 66.780 66.780 66.142 0.638 18250 8539 1 9 . 1 1 152 152 VAL CB C 152 31.889 31.889 31.454 0.435 18250 8540 1 9 . 1 1 152 152 VAL H H 152 7.840 7.840 8.606 -0.766 18250 8541 1 9 . 1 1 153 153 GLU N N 153 120.159 120.159 120.686 -0.527 18250 8542 1 9 . 1 1 153 153 GLU HA H 153 3.925 3.925 3.992 -0.067 18250 8543 1 9 . 1 1 153 153 GLU C C 153 178.157 178.157 178.989 -0.832 18250 8544 1 9 . 1 1 153 153 GLU CA C 153 59.292 59.292 59.374 -0.082 18250 8545 1 9 . 1 1 153 153 GLU CB C 153 29.569 29.569 29.407 0.162 18250 8546 1 9 . 1 1 153 153 GLU H H 153 7.484 7.484 7.730 -0.246 18250 8547 1 9 . 1 1 154 154 LEU N N 154 117.518 117.518 118.444 -0.926 18250 8548 1 9 . 1 1 154 154 LEU HA H 154 4.054 4.054 3.963 0.091 18250 8549 1 9 . 1 1 154 154 LEU C C 154 178.563 178.563 177.488 1.075 18250 8550 1 9 . 1 1 154 154 LEU CA C 154 56.844 56.844 56.592 0.252 18250 8551 1 9 . 1 1 154 154 LEU CB C 154 43.739 43.739 41.828 1.911 18250 8552 1 9 . 1 1 154 154 LEU H H 154 7.701 7.701 7.253 0.448 18250 8553 1 9 . 1 1 155 155 TYR N N 155 116.466 116.466 115.186 1.280 18250 8554 1 9 . 1 1 155 155 TYR HA H 155 4.227 4.227 4.576 -0.349 18250 8555 1 9 . 1 1 155 155 TYR C C 155 176.835 176.835 175.558 1.277 18250 8556 1 9 . 1 1 155 155 TYR CA C 155 59.639 59.639 57.349 2.290 18250 8557 1 9 . 1 1 155 155 TYR CB C 155 38.891 38.891 39.004 -0.113 18250 8558 1 9 . 1 1 155 155 TYR H H 155 8.210 8.210 7.331 0.879 18250 8559 1 9 . 1 1 156 156 GLY N N 156 108.677 108.677 108.405 0.272 18250 8560 1 9 . 1 1 156 156 GLY C C 156 173.893 173.893 174.132 -0.239 18250 8561 1 9 . 1 1 156 156 GLY CA C 156 45.627 45.627 44.558 1.069 18250 8562 1 9 . 1 1 156 156 GLY H H 156 8.125 8.125 7.343 0.782 18250 8563 1 9 . 1 1 157 157 ASN N N 157 118.537 118.537 122.442 -3.905 18250 8564 1 9 . 1 1 157 157 ASN HA H 157 4.640 4.640 4.640 0.000 18250 8565 1 9 . 1 1 157 157 ASN C C 157 175.436 175.436 176.277 -0.841 18250 8566 1 9 . 1 1 157 157 ASN CA C 157 53.482 53.482 54.842 -1.360 18250 8567 1 9 . 1 1 157 157 ASN CB C 157 38.726 38.726 40.198 -1.472 18250 8568 1 9 . 1 1 157 157 ASN H H 157 8.429 8.429 8.281 0.148 18250 8569 1 9 . 1 1 158 158 ASN N N 158 119.251 119.251 119.474 -0.223 18250 8570 1 9 . 1 1 158 158 ASN HA H 158 4.634 4.634 4.483 0.151 18250 8571 1 9 . 1 1 158 158 ASN C C 158 175.574 175.574 176.572 -0.998 18250 8572 1 9 . 1 1 158 158 ASN CA C 158 53.845 53.845 56.661 -2.816 18250 8573 1 9 . 1 1 158 158 ASN CB C 158 38.841 38.841 37.955 0.887 18250 8574 1 9 . 1 1 158 158 ASN H H 158 8.444 8.444 8.572 -0.128 18250 8575 1 9 . 1 1 159 159 ALA N N 159 123.557 123.557 122.114 1.443 18250 8576 1 9 . 1 1 159 159 ALA HA H 159 4.185 4.185 4.030 0.155 18250 8577 1 9 . 1 1 159 159 ALA C C 159 178.451 178.451 178.806 -0.355 18250 8578 1 9 . 1 1 159 159 ALA CA C 159 53.732 53.732 54.633 -0.902 18250 8579 1 9 . 1 1 159 159 ALA CB C 159 18.793 18.793 18.360 0.433 18250 8580 1 9 . 1 1 159 159 ALA H H 159 8.216 8.216 8.356 -0.140 18250 8581 1 9 . 1 1 160 160 ALA N N 160 121.918 121.918 120.546 1.372 18250 8582 1 9 . 1 1 160 160 ALA HA H 160 4.236 4.236 3.992 0.244 18250 8583 1 9 . 1 1 160 160 ALA C C 160 178.493 178.493 179.178 -0.685 18250 8584 1 9 . 1 1 160 160 ALA CA C 160 53.131 53.131 54.463 -1.332 18250 8585 1 9 . 1 1 160 160 ALA CB C 160 18.623 18.623 18.223 0.400 18250 8586 1 9 . 1 1 160 160 ALA H H 160 8.159 8.159 7.887 0.272 18250 8587 1 9 . 1 1 161 161 ALA N N 161 122.552 122.552 119.739 2.813 18250 8588 1 9 . 1 1 161 161 ALA HA H 161 4.160 4.160 3.953 0.207 18250 8589 1 9 . 1 1 161 161 ALA C C 161 178.993 178.993 179.538 -0.545 18250 8590 1 9 . 1 1 161 161 ALA CA C 161 53.807 53.807 54.776 -0.969 18250 8591 1 9 . 1 1 161 161 ALA CB C 161 18.845 18.845 18.325 0.520 18250 8592 1 9 . 1 1 161 161 ALA H H 161 8.054 8.054 7.558 0.496 18250 8593 1 9 . 1 1 162 162 GLU N N 162 118.709 118.709 117.826 0.883 18250 8594 1 9 . 1 1 162 162 GLU HA H 162 4.175 4.175 4.209 -0.034 18250 8595 1 9 . 1 1 162 162 GLU C C 162 177.630 177.630 179.019 -1.389 18250 8596 1 9 . 1 1 162 162 GLU CA C 162 57.788 57.788 58.372 -0.584 18250 8597 1 9 . 1 1 162 162 GLU CB C 162 29.767 29.767 29.144 0.623 18250 8598 1 9 . 1 1 162 162 GLU H H 162 8.330 8.330 7.750 0.580 18250 8599 1 9 . 1 1 163 163 SER N N 163 115.336 115.336 116.238 -0.902 18250 8600 1 9 . 1 1 163 163 SER HA H 163 4.378 4.378 4.307 0.071 18250 8601 1 9 . 1 1 163 163 SER C C 163 175.241 175.241 175.866 -0.625 18250 8602 1 9 . 1 1 163 163 SER CA C 163 59.419 59.419 60.610 -1.191 18250 8603 1 9 . 1 1 163 163 SER CB C 163 63.456 63.456 63.013 0.443 18250 8604 1 9 . 1 1 163 163 SER H H 163 8.122 8.122 8.013 0.109 18250 8605 1 9 . 1 1 164 164 ARG N N 164 121.905 121.905 120.694 1.211 18250 8606 1 9 . 1 1 164 164 ARG HA H 164 4.328 4.328 4.221 0.107 18250 8607 1 9 . 1 1 164 164 ARG C C 164 176.812 176.812 176.839 -0.027 18250 8608 1 9 . 1 1 164 164 ARG CA C 164 56.772 56.772 57.050 -0.278 18250 8609 1 9 . 1 1 164 164 ARG CB C 164 30.508 30.508 29.780 0.728 18250 8610 1 9 . 1 1 164 164 ARG H H 164 8.054 8.054 7.390 0.664 18250 8611 1 9 . 1 1 165 165 LYS N N 165 121.165 121.165 120.573 0.592 18250 8612 1 9 . 1 1 165 165 LYS HA H 165 4.247 4.247 4.087 0.160 18250 8613 1 9 . 1 1 165 165 LYS C C 165 177.580 177.580 177.724 -0.144 18250 8614 1 9 . 1 1 165 165 LYS CA C 165 57.272 57.272 58.916 -1.644 18250 8615 1 9 . 1 1 165 165 LYS CB C 165 32.845 32.845 32.313 0.532 18250 8616 1 9 . 1 1 165 165 LYS H H 165 8.111 8.111 7.433 0.678 18250 8617 1 9 . 1 1 166 166 GLY N N 166 109.466 109.466 105.952 3.514 18250 8618 1 9 . 1 1 166 166 GLY C C 166 174.696 174.696 175.251 -0.555 18250 8619 1 9 . 1 1 166 166 GLY CA C 166 45.691 45.691 45.598 0.093 18250 8620 1 9 . 1 1 166 166 GLY H H 166 8.444 8.444 7.615 0.829 18250 8621 1 9 . 1 1 167 167 GLN N N 167 119.704 119.704 122.040 -2.336 18250 8622 1 9 . 1 1 167 167 GLN HA H 167 4.342 4.342 3.946 0.396 18250 8623 1 9 . 1 1 167 167 GLN C C 167 176.093 176.093 177.497 -1.404 18250 8624 1 9 . 1 1 167 167 GLN CA C 167 56.161 56.161 59.043 -2.882 18250 8625 1 9 . 1 1 167 167 GLN CB C 167 29.403 29.403 28.553 0.850 18250 8626 1 9 . 1 1 167 167 GLN H H 167 8.143 8.143 8.014 0.129 18250 8627 1 9 . 1 1 168 168 GLU N N 168 121.765 121.765 117.998 3.767 18250 8628 1 9 . 1 1 168 168 GLU HA H 168 4.224 4.224 3.880 0.344 18250 8629 1 9 . 1 1 168 168 GLU C C 168 176.750 176.750 177.815 -1.065 18250 8630 1 9 . 1 1 168 168 GLU CA C 168 57.344 57.344 59.053 -1.709 18250 8631 1 9 . 1 1 168 168 GLU CB C 168 29.990 29.990 29.002 0.988 18250 8632 1 9 . 1 1 168 168 GLU H H 168 8.526 8.526 7.959 0.567 18250 8633 1 9 . 1 1 169 169 ARG N N 169 121.114 121.114 117.019 4.095 18250 8634 1 9 . 1 1 169 169 ARG HA H 169 4.291 4.291 4.275 0.016 18250 8635 1 9 . 1 1 169 169 ARG C C 169 177.587 177.587 177.907 -0.320 18250 8636 1 9 . 1 1 169 169 ARG CA C 169 56.338 56.338 57.307 -0.969 18250 8637 1 9 . 1 1 169 169 ARG CB C 169 30.516 30.516 30.387 0.129 18250 8638 1 9 . 1 1 169 169 ARG H H 169 8.284 8.284 7.475 0.809 18250 8639 1 9 . 1 1 170 170 LEU N N 170 122.853 122.853 121.703 1.150 18250 8640 1 9 . 1 1 170 170 LEU HA H 170 4.399 4.399 4.387 0.012 18250 8641 1 9 . 1 1 170 170 LEU C C 170 177.364 177.364 179.006 -1.642 18250 8642 1 9 . 1 1 170 170 LEU CA C 170 55.290 55.290 57.378 -2.088 18250 8643 1 9 . 1 1 170 170 LEU CB C 170 42.424 42.424 42.203 0.221 18250 8644 1 9 . 1 1 170 170 LEU H H 170 8.181 8.181 8.213 -0.032 18250 8645 1 9 . 1 1 171 171 GLU N N 171 120.823 120.823 119.388 1.435 18250 8646 1 9 . 1 1 171 171 GLU C C 171 176.255 176.255 177.036 -0.781 18250 8647 1 9 . 1 1 171 171 GLU CA C 171 56.725 56.725 57.975 -1.250 18250 8648 1 9 . 1 1 171 171 GLU CB C 171 30.289 30.289 29.269 1.020 18250 8649 1 9 . 1 1 171 171 GLU H H 171 8.352 8.352 8.216 0.136 18250 8650 1 10 . 1 1 2 2 SER N N 2 122.263 122.263 118.127 4.136 18250 8651 1 10 . 1 1 2 2 SER HA H 2 4.270 4.270 4.162 0.108 18250 8652 1 10 . 1 1 2 2 SER CA C 2 59.961 59.961 61.590 -1.629 18250 8653 1 10 . 1 1 2 2 SER CB C 2 64.958 64.958 62.988 1.970 18250 8654 1 10 . 1 1 2 2 SER H H 2 7.955 7.955 8.802 -0.847 18250 8655 1 10 . 1 1 3 3 GLN HA H 3 4.387 4.387 4.235 0.152 18250 8656 1 10 . 1 1 3 3 GLN C C 3 179.078 179.078 178.126 0.952 18250 8657 1 10 . 1 1 3 3 GLN CA C 3 56.616 56.616 59.037 -2.421 18250 8658 1 10 . 1 1 3 3 GLN CB C 3 29.224 29.224 28.413 0.811 18250 8659 1 10 . 1 1 4 4 SER N N 4 117.102 117.102 115.957 1.145 18250 8660 1 10 . 1 1 4 4 SER HA H 4 4.465 4.465 4.577 -0.112 18250 8661 1 10 . 1 1 4 4 SER C C 4 175.930 175.930 176.848 -0.918 18250 8662 1 10 . 1 1 4 4 SER CA C 4 58.994 58.994 61.688 -2.695 18250 8663 1 10 . 1 1 4 4 SER CB C 4 63.490 63.490 62.559 0.930 18250 8664 1 10 . 1 1 4 4 SER H H 4 8.647 8.647 8.352 0.295 18250 8665 1 10 . 1 1 5 5 ASN N N 5 122.476 122.476 120.319 2.157 18250 8666 1 10 . 1 1 5 5 ASN HA H 5 4.744 4.744 4.673 0.071 18250 8667 1 10 . 1 1 5 5 ASN C C 5 177.378 177.378 177.793 -0.415 18250 8668 1 10 . 1 1 5 5 ASN CA C 5 56.150 56.150 56.025 0.125 18250 8669 1 10 . 1 1 5 5 ASN CB C 5 38.363 38.363 38.547 -0.185 18250 8670 1 10 . 1 1 5 5 ASN H H 5 8.603 8.603 8.717 -0.114 18250 8671 1 10 . 1 1 6 6 ARG N N 6 120.024 120.024 121.250 -1.226 18250 8672 1 10 . 1 1 6 6 ARG HA H 6 3.927 3.927 4.146 -0.219 18250 8673 1 10 . 1 1 6 6 ARG C C 6 177.331 177.331 178.089 -0.758 18250 8674 1 10 . 1 1 6 6 ARG CA C 6 59.861 59.861 59.288 0.573 18250 8675 1 10 . 1 1 6 6 ARG CB C 6 29.756 29.756 30.332 -0.576 18250 8676 1 10 . 1 1 6 6 ARG H H 6 8.252 8.252 8.162 0.090 18250 8677 1 10 . 1 1 7 7 GLU N N 7 117.799 117.799 120.659 -2.860 18250 8678 1 10 . 1 1 7 7 GLU HA H 7 3.907 3.907 3.995 -0.088 18250 8679 1 10 . 1 1 7 7 GLU C C 7 179.388 179.388 179.119 0.269 18250 8680 1 10 . 1 1 7 7 GLU CA C 7 59.380 59.380 59.753 -0.373 18250 8681 1 10 . 1 1 7 7 GLU CB C 7 29.624 29.624 29.337 0.287 18250 8682 1 10 . 1 1 7 7 GLU H H 7 7.953 7.953 8.342 -0.389 18250 8683 1 10 . 1 1 8 8 LEU N N 8 119.794 119.794 119.123 0.671 18250 8684 1 10 . 1 1 8 8 LEU HA H 8 3.875 3.875 4.014 -0.139 18250 8685 1 10 . 1 1 8 8 LEU C C 8 178.368 178.368 179.422 -1.054 18250 8686 1 10 . 1 1 8 8 LEU CA C 8 58.116 58.116 57.819 0.297 18250 8687 1 10 . 1 1 8 8 LEU CB C 8 41.926 41.926 41.602 0.324 18250 8688 1 10 . 1 1 8 8 LEU H H 8 7.726 7.726 7.558 0.168 18250 8689 1 10 . 1 1 9 9 VAL N N 9 117.818 117.818 119.516 -1.698 18250 8690 1 10 . 1 1 9 9 VAL HA H 9 3.678 3.678 3.399 0.279 18250 8691 1 10 . 1 1 9 9 VAL C C 9 177.085 177.085 178.092 -1.007 18250 8692 1 10 . 1 1 9 9 VAL CA C 9 67.766 67.766 66.481 1.285 18250 8693 1 10 . 1 1 9 9 VAL CB C 9 32.429 32.429 31.483 0.946 18250 8694 1 10 . 1 1 9 9 VAL H H 9 7.765 7.765 7.298 0.467 18250 8695 1 10 . 1 1 10 10 VAL N N 10 117.317 117.317 120.501 -3.184 18250 8696 1 10 . 1 1 10 10 VAL HA H 10 2.926 2.926 3.219 -0.293 18250 8697 1 10 . 1 1 10 10 VAL C C 10 178.588 178.588 177.777 0.811 18250 8698 1 10 . 1 1 10 10 VAL CA C 10 67.029 67.029 66.851 0.178 18250 8699 1 10 . 1 1 10 10 VAL CB C 10 31.401 31.401 30.737 0.664 18250 8700 1 10 . 1 1 10 10 VAL H H 10 8.333 8.333 8.545 -0.212 18250 8701 1 10 . 1 1 11 11 ASP N N 11 120.859 120.859 119.178 1.681 18250 8702 1 10 . 1 1 11 11 ASP HA H 11 4.083 4.083 4.192 -0.109 18250 8703 1 10 . 1 1 11 11 ASP C C 11 177.495 177.495 178.018 -0.523 18250 8704 1 10 . 1 1 11 11 ASP CA C 11 58.947 58.947 57.310 1.637 18250 8705 1 10 . 1 1 11 11 ASP CB C 11 43.345 43.345 40.732 2.613 18250 8706 1 10 . 1 1 11 11 ASP H H 11 8.070 8.070 8.529 -0.459 18250 8707 1 10 . 1 1 12 12 PHE N N 12 120.293 120.293 120.469 -0.176 18250 8708 1 10 . 1 1 12 12 PHE HA H 12 3.953 3.953 4.103 -0.150 18250 8709 1 10 . 1 1 12 12 PHE C C 12 178.083 178.083 177.156 0.927 18250 8710 1 10 . 1 1 12 12 PHE CA C 12 63.221 63.221 61.746 1.475 18250 8711 1 10 . 1 1 12 12 PHE CB C 12 40.134 40.134 39.445 0.689 18250 8712 1 10 . 1 1 12 12 PHE H H 12 8.327 8.327 7.574 0.753 18250 8713 1 10 . 1 1 13 13 LEU N N 13 116.845 116.845 119.527 -2.682 18250 8714 1 10 . 1 1 13 13 LEU HA H 13 3.990 3.990 3.992 -0.002 18250 8715 1 10 . 1 1 13 13 LEU C C 13 179.454 179.454 179.070 0.384 18250 8716 1 10 . 1 1 13 13 LEU CA C 13 58.291 58.291 57.801 0.490 18250 8717 1 10 . 1 1 13 13 LEU CB C 13 41.739 41.739 41.333 0.406 18250 8718 1 10 . 1 1 13 13 LEU H H 13 8.907 8.907 8.621 0.286 18250 8719 1 10 . 1 1 14 14 SER N N 14 114.306 114.306 114.432 -0.126 18250 8720 1 10 . 1 1 14 14 SER HA H 14 4.257 4.257 4.110 0.147 18250 8721 1 10 . 1 1 14 14 SER C C 14 177.281 177.281 176.594 0.687 18250 8722 1 10 . 1 1 14 14 SER CA C 14 62.641 62.641 61.495 1.146 18250 8723 1 10 . 1 1 14 14 SER CB C 14 62.594 62.594 62.967 -0.373 18250 8724 1 10 . 1 1 14 14 SER H H 14 8.503 8.503 8.432 0.071 18250 8725 1 10 . 1 1 15 15 TYR N N 15 124.988 124.988 121.758 3.230 18250 8726 1 10 . 1 1 15 15 TYR HA H 15 4.388 4.388 4.156 0.232 18250 8727 1 10 . 1 1 15 15 TYR C C 15 178.247 178.247 177.080 1.167 18250 8728 1 10 . 1 1 15 15 TYR CA C 15 60.311 60.311 61.637 -1.326 18250 8729 1 10 . 1 1 15 15 TYR CB C 15 37.990 37.990 38.363 -0.373 18250 8730 1 10 . 1 1 15 15 TYR H H 15 8.252 8.252 8.102 0.150 18250 8731 1 10 . 1 1 16 16 LYS N N 16 120.256 120.256 118.633 1.623 18250 8732 1 10 . 1 1 16 16 LYS HA H 16 3.829 3.829 3.996 -0.167 18250 8733 1 10 . 1 1 16 16 LYS C C 16 180.272 180.272 178.915 1.357 18250 8734 1 10 . 1 1 16 16 LYS CA C 16 57.063 57.063 57.968 -0.905 18250 8735 1 10 . 1 1 16 16 LYS CB C 16 29.849 29.849 32.276 -2.427 18250 8736 1 10 . 1 1 16 16 LYS H H 16 8.331 8.331 7.352 0.979 18250 8737 1 10 . 1 1 17 17 LEU N N 17 118.564 118.564 120.575 -2.011 18250 8738 1 10 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.103 -0.028 18250 8739 1 10 . 1 1 17 17 LEU C C 17 179.917 179.917 179.169 0.748 18250 8740 1 10 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.553 0.140 18250 8741 1 10 . 1 1 17 17 LEU CB C 17 41.178 41.178 41.812 -0.634 18250 8742 1 10 . 1 1 17 17 LEU H H 17 8.726 8.726 8.772 -0.046 18250 8743 1 10 . 1 1 18 18 SER N N 18 117.861 117.861 113.541 4.320 18250 8744 1 10 . 1 1 18 18 SER HA H 18 4.696 4.696 4.473 0.223 18250 8745 1 10 . 1 1 18 18 SER C C 18 178.612 178.612 176.066 2.546 18250 8746 1 10 . 1 1 18 18 SER CA C 18 61.783 61.783 61.554 0.229 18250 8747 1 10 . 1 1 18 18 SER CB C 18 62.613 62.613 63.159 -0.546 18250 8748 1 10 . 1 1 18 18 SER H H 18 8.394 8.394 8.392 0.002 18250 8749 1 10 . 1 1 19 19 GLN N N 19 122.899 122.899 119.803 3.096 18250 8750 1 10 . 1 1 19 19 GLN HA H 19 4.017 4.017 4.057 -0.040 18250 8751 1 10 . 1 1 19 19 GLN C C 19 177.237 177.237 177.146 0.091 18250 8752 1 10 . 1 1 19 19 GLN CA C 19 58.536 58.536 57.895 0.641 18250 8753 1 10 . 1 1 19 19 GLN CB C 19 28.795 28.795 28.615 0.180 18250 8754 1 10 . 1 1 19 19 GLN H H 19 7.691 7.691 7.263 0.428 18250 8755 1 10 . 1 1 20 20 LYS N N 20 116.425 116.425 117.505 -1.080 18250 8756 1 10 . 1 1 20 20 LYS HA H 20 4.425 4.425 4.255 0.170 18250 8757 1 10 . 1 1 20 20 LYS C C 20 175.581 175.581 176.196 -0.615 18250 8758 1 10 . 1 1 20 20 LYS CA C 20 54.032 54.032 55.995 -1.962 18250 8759 1 10 . 1 1 20 20 LYS CB C 20 32.659 32.659 32.526 0.133 18250 8760 1 10 . 1 1 20 20 LYS H H 20 7.268 7.268 7.745 -0.477 18250 8761 1 10 . 1 1 21 21 GLY N N 21 105.593 105.593 106.690 -1.097 18250 8762 1 10 . 1 1 21 21 GLY C C 21 174.012 174.012 173.978 0.034 18250 8763 1 10 . 1 1 21 21 GLY CA C 21 45.316 45.316 44.984 0.332 18250 8764 1 10 . 1 1 21 21 GLY H H 21 7.620 7.620 7.370 0.250 18250 8765 1 10 . 1 1 22 22 TYR N N 22 119.884 119.884 119.362 0.522 18250 8766 1 10 . 1 1 22 22 TYR HA H 22 5.047 5.047 4.841 0.206 18250 8767 1 10 . 1 1 22 22 TYR C C 22 175.024 175.024 174.653 0.371 18250 8768 1 10 . 1 1 22 22 TYR CA C 22 55.645 55.645 55.769 -0.124 18250 8769 1 10 . 1 1 22 22 TYR CB C 22 40.969 40.969 40.927 0.042 18250 8770 1 10 . 1 1 22 22 TYR H H 22 7.892 7.892 8.263 -0.371 18250 8771 1 10 . 1 1 23 23 SER N N 23 115.410 115.410 118.228 -2.818 18250 8772 1 10 . 1 1 23 23 SER HA H 23 4.863 4.863 4.777 0.086 18250 8773 1 10 . 1 1 23 23 SER C C 23 174.483 174.483 174.850 -0.367 18250 8774 1 10 . 1 1 23 23 SER CA C 23 56.776 56.776 57.223 -0.447 18250 8775 1 10 . 1 1 23 23 SER CB C 23 64.778 64.778 63.681 1.097 18250 8776 1 10 . 1 1 23 23 SER H H 23 8.561 8.561 8.828 -0.267 18250 8777 1 10 . 1 1 24 24 TRP N N 24 127.533 127.533 128.113 -0.580 18250 8778 1 10 . 1 1 24 24 TRP HA H 24 4.346 4.346 4.647 -0.301 18250 8779 1 10 . 1 1 24 24 TRP C C 24 176.876 176.876 176.213 0.663 18250 8780 1 10 . 1 1 24 24 TRP CA C 24 60.051 60.051 60.653 -0.602 18250 8781 1 10 . 1 1 24 24 TRP CB C 24 30.824 30.824 29.685 1.139 18250 8782 1 10 . 1 1 24 24 TRP H H 24 9.026 9.026 9.047 -0.021 18250 8783 1 10 . 1 1 25 25 SER N N 25 112.236 112.236 113.835 -1.599 18250 8784 1 10 . 1 1 25 25 SER HA H 25 4.104 4.104 4.031 0.073 18250 8785 1 10 . 1 1 25 25 SER C C 25 175.164 175.164 176.886 -1.722 18250 8786 1 10 . 1 1 25 25 SER CA C 25 60.033 60.033 61.510 -1.477 18250 8787 1 10 . 1 1 25 25 SER CB C 25 62.931 62.931 62.183 0.748 18250 8788 1 10 . 1 1 25 25 SER H H 25 8.236 8.236 8.309 -0.073 18250 8789 1 10 . 1 1 26 26 GLN N N 26 119.530 119.530 120.664 -1.134 18250 8790 1 10 . 1 1 26 26 GLN HA H 26 3.895 3.895 3.926 -0.031 18250 8791 1 10 . 1 1 26 26 GLN C C 26 176.075 176.075 176.433 -0.358 18250 8792 1 10 . 1 1 26 26 GLN CA C 26 56.959 56.959 57.668 -0.709 18250 8793 1 10 . 1 1 26 26 GLN CB C 26 28.764 28.764 28.243 0.521 18250 8794 1 10 . 1 1 26 26 GLN H H 26 7.467 7.467 7.204 0.263 18250 8795 1 10 . 1 1 27 27 PHE N N 27 116.668 116.668 115.352 1.316 18250 8796 1 10 . 1 1 27 27 PHE HA H 27 4.594 4.594 4.400 0.194 18250 8797 1 10 . 1 1 27 27 PHE C C 27 175.107 175.107 174.270 0.837 18250 8798 1 10 . 1 1 27 27 PHE CA C 27 56.629 56.629 56.606 0.023 18250 8799 1 10 . 1 1 27 27 PHE CB C 27 39.909 39.909 38.258 1.651 18250 8800 1 10 . 1 1 27 27 PHE H H 27 7.343 7.343 6.999 0.344 18250 8801 1 10 . 1 1 28 28 SER N N 28 114.121 114.121 114.639 -0.518 18250 8802 1 10 . 1 1 28 28 SER HA H 28 4.151 4.151 4.416 -0.265 18250 8803 1 10 . 1 1 28 28 SER C C 28 173.703 173.703 173.696 0.007 18250 8804 1 10 . 1 1 28 28 SER CA C 28 57.662 57.662 56.836 0.826 18250 8805 1 10 . 1 1 28 28 SER CB C 28 63.931 63.931 64.606 -0.675 18250 8806 1 10 . 1 1 28 28 SER H H 28 7.336 7.336 7.049 0.287 18250 8807 1 10 . 1 1 29 29 ASP N N 29 122.733 122.733 125.766 -3.033 18250 8808 1 10 . 1 1 29 29 ASP HA H 29 4.601 4.601 4.550 0.051 18250 8809 1 10 . 1 1 29 29 ASP C C 29 176.320 176.320 175.366 0.954 18250 8810 1 10 . 1 1 29 29 ASP CA C 29 54.194 54.194 53.932 0.262 18250 8811 1 10 . 1 1 29 29 ASP CB C 29 41.145 41.145 39.853 1.292 18250 8812 1 10 . 1 1 29 29 ASP H H 29 8.370 8.370 8.707 -0.337 18250 8813 1 10 . 1 1 30 30 VAL N N 30 119.197 119.197 123.639 -4.442 18250 8814 1 10 . 1 1 30 30 VAL HA H 30 4.096 4.096 4.018 0.078 18250 8815 1 10 . 1 1 30 30 VAL C C 30 176.232 176.232 176.939 -0.707 18250 8816 1 10 . 1 1 30 30 VAL CA C 30 62.417 62.417 63.807 -1.390 18250 8817 1 10 . 1 1 30 30 VAL CB C 30 33.024 33.024 32.600 0.424 18250 8818 1 10 . 1 1 30 30 VAL H H 30 7.968 7.968 7.625 0.343 18250 8819 1 10 . 1 1 31 31 GLU N N 31 124.470 124.470 119.495 4.975 18250 8820 1 10 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.039 0.221 18250 8821 1 10 . 1 1 31 31 GLU C C 31 176.526 176.526 178.081 -1.555 18250 8822 1 10 . 1 1 31 31 GLU CA C 31 56.706 56.706 58.724 -2.018 18250 8823 1 10 . 1 1 31 31 GLU CB C 31 30.250 30.250 29.551 0.699 18250 8824 1 10 . 1 1 31 31 GLU H H 31 8.502 8.502 8.621 -0.119 18250 8825 1 10 . 1 1 32 32 GLU N N 32 122.145 122.145 119.096 3.049 18250 8826 1 10 . 1 1 32 32 GLU HA H 32 4.233 4.233 4.141 0.092 18250 8827 1 10 . 1 1 32 32 GLU C C 32 176.172 176.172 175.908 0.264 18250 8828 1 10 . 1 1 32 32 GLU CA C 32 56.732 56.732 58.289 -1.558 18250 8829 1 10 . 1 1 32 32 GLU CB C 32 30.643 30.643 30.073 0.570 18250 8830 1 10 . 1 1 32 32 GLU H H 32 8.426 8.426 8.703 -0.277 18250 8831 1 10 . 1 1 33 33 ASN N N 33 119.562 119.562 117.353 2.209 18250 8832 1 10 . 1 1 33 33 ASN HA H 33 4.708 4.708 4.791 -0.083 18250 8833 1 10 . 1 1 33 33 ASN C C 33 174.983 174.983 174.026 0.957 18250 8834 1 10 . 1 1 33 33 ASN CA C 33 53.360 53.360 52.836 0.524 18250 8835 1 10 . 1 1 33 33 ASN CB C 33 38.994 38.994 39.015 -0.021 18250 8836 1 10 . 1 1 33 33 ASN H H 33 8.503 8.503 8.280 0.223 18250 8837 1 10 . 1 1 34 34 ARG N N 34 122.040 122.040 125.756 -3.716 18250 8838 1 10 . 1 1 34 34 ARG HA H 34 4.411 4.411 4.287 0.124 18250 8839 1 10 . 1 1 34 34 ARG C C 34 176.470 176.470 175.605 0.865 18250 8840 1 10 . 1 1 34 34 ARG CA C 34 56.151 56.151 57.121 -0.970 18250 8841 1 10 . 1 1 34 34 ARG CB C 34 30.891 30.891 30.215 0.676 18250 8842 1 10 . 1 1 34 34 ARG H H 34 8.330 8.330 8.630 -0.300 18250 8843 1 10 . 1 1 35 35 THR N N 35 115.850 115.850 122.656 -6.806 18250 8844 1 10 . 1 1 35 35 THR HA H 35 4.329 4.329 4.468 -0.139 18250 8845 1 10 . 1 1 35 35 THR C C 35 174.429 174.429 173.731 0.698 18250 8846 1 10 . 1 1 35 35 THR CA C 35 62.079 62.079 61.730 0.349 18250 8847 1 10 . 1 1 35 35 THR CB C 35 69.825 69.825 69.450 0.375 18250 8848 1 10 . 1 1 35 35 THR H H 35 8.283 8.283 8.393 -0.110 18250 8849 1 10 . 1 1 36 36 GLU N N 36 123.074 123.074 127.019 -3.945 18250 8850 1 10 . 1 1 36 36 GLU HA H 36 4.311 4.311 4.417 -0.106 18250 8851 1 10 . 1 1 36 36 GLU C C 36 175.641 175.641 175.448 0.193 18250 8852 1 10 . 1 1 36 36 GLU CA C 36 56.396 56.396 55.819 0.577 18250 8853 1 10 . 1 1 36 36 GLU CB C 36 30.379 30.379 29.913 0.466 18250 8854 1 10 . 1 1 36 36 GLU H H 36 8.402 8.402 8.732 -0.330 18250 8855 1 10 . 1 1 37 37 ALA N N 37 126.190 126.190 130.300 -4.110 18250 8856 1 10 . 1 1 37 37 ALA HA H 37 4.613 4.613 4.605 0.008 18250 8857 1 10 . 1 1 37 37 ALA C C 37 175.419 175.419 175.470 -0.051 18250 8858 1 10 . 1 1 37 37 ALA CA C 37 50.532 50.532 50.001 0.531 18250 8859 1 10 . 1 1 37 37 ALA CB C 37 18.633 18.633 19.060 -0.427 18250 8860 1 10 . 1 1 37 37 ALA H H 37 8.314 8.314 8.280 0.034 18250 8861 1 10 . 1 1 38 38 PRO HA H 38 4.427 4.427 4.546 -0.119 18250 8862 1 10 . 1 1 38 38 PRO C C 38 177.029 177.029 176.101 0.928 18250 8863 1 10 . 1 1 38 38 PRO CA C 38 63.216 63.216 62.255 0.961 18250 8864 1 10 . 1 1 38 38 PRO CB C 38 32.134 32.134 32.635 -0.501 18250 8865 1 10 . 1 1 39 39 GLU N N 39 121.295 121.295 121.835 -0.540 18250 8866 1 10 . 1 1 39 39 GLU HA H 39 4.301 4.301 4.382 -0.081 18250 8867 1 10 . 1 1 39 39 GLU C C 39 177.079 177.079 177.645 -0.566 18250 8868 1 10 . 1 1 39 39 GLU CA C 39 56.836 56.836 56.820 0.016 18250 8869 1 10 . 1 1 39 39 GLU CB C 39 30.441 30.441 29.069 1.372 18250 8870 1 10 . 1 1 39 39 GLU H H 39 8.640 8.640 8.455 0.185 18250 8871 1 10 . 1 1 40 40 GLY N N 40 110.317 110.317 113.273 -2.956 18250 8872 1 10 . 1 1 40 40 GLY C C 40 174.602 174.602 175.115 -0.513 18250 8873 1 10 . 1 1 40 40 GLY CA C 40 45.485 45.485 45.117 0.368 18250 8874 1 10 . 1 1 40 40 GLY H H 40 8.521 8.521 8.500 0.021 18250 8875 1 10 . 1 1 41 41 THR N N 41 113.178 113.178 116.666 -3.488 18250 8876 1 10 . 1 1 41 41 THR HA H 41 4.385 4.385 4.011 0.374 18250 8877 1 10 . 1 1 41 41 THR C C 41 175.499 175.499 176.696 -1.197 18250 8878 1 10 . 1 1 41 41 THR CA C 41 62.273 62.273 66.369 -4.096 18250 8879 1 10 . 1 1 41 41 THR CB C 41 69.917 69.917 68.956 0.961 18250 8880 1 10 . 1 1 41 41 THR H H 41 8.268 8.268 8.690 -0.422 18250 8881 1 10 . 1 1 42 42 GLU N N 42 123.140 123.140 119.602 3.538 18250 8882 1 10 . 1 1 42 42 GLU HA H 42 4.371 4.371 4.223 0.148 18250 8883 1 10 . 1 1 42 42 GLU C C 42 177.161 177.161 177.176 -0.015 18250 8884 1 10 . 1 1 42 42 GLU CA C 42 57.492 57.492 57.474 0.018 18250 8885 1 10 . 1 1 42 42 GLU CB C 42 29.924 29.924 28.734 1.190 18250 8886 1 10 . 1 1 42 42 GLU H H 42 8.847 8.847 9.025 -0.178 18250 8887 1 10 . 1 1 43 43 SER N N 43 115.679 115.679 116.715 -1.036 18250 8888 1 10 . 1 1 43 43 SER HA H 43 4.430 4.430 4.020 0.410 18250 8889 1 10 . 1 1 43 43 SER C C 43 175.673 175.673 176.035 -0.362 18250 8890 1 10 . 1 1 43 43 SER CA C 43 58.925 58.925 61.349 -2.424 18250 8891 1 10 . 1 1 43 43 SER CB C 43 63.710 63.710 62.741 0.969 18250 8892 1 10 . 1 1 43 43 SER H H 43 8.510 8.510 8.404 0.106 18250 8893 1 10 . 1 1 44 44 GLU N N 44 123.102 123.102 120.074 3.028 18250 8894 1 10 . 1 1 44 44 GLU HA H 44 3.992 3.992 4.083 -0.091 18250 8895 1 10 . 1 1 44 44 GLU C C 44 177.924 177.924 178.452 -0.528 18250 8896 1 10 . 1 1 44 44 GLU CA C 44 59.074 59.074 58.656 0.418 18250 8897 1 10 . 1 1 44 44 GLU CB C 44 29.413 29.413 29.464 -0.051 18250 8898 1 10 . 1 1 44 44 GLU H H 44 8.350 8.350 8.031 0.319 18250 8899 1 10 . 1 1 45 45 ALA N N 45 120.958 120.958 122.634 -1.676 18250 8900 1 10 . 1 1 45 45 ALA HA H 45 4.131 4.131 4.125 0.006 18250 8901 1 10 . 1 1 45 45 ALA C C 45 180.641 180.641 179.040 1.601 18250 8902 1 10 . 1 1 45 45 ALA CA C 45 55.157 55.157 55.030 0.127 18250 8903 1 10 . 1 1 45 45 ALA CB C 45 18.575 18.575 18.737 -0.162 18250 8904 1 10 . 1 1 45 45 ALA H H 45 8.227 8.227 7.509 0.718 18250 8905 1 10 . 1 1 46 46 VAL N N 46 118.867 118.867 119.642 -0.775 18250 8906 1 10 . 1 1 46 46 VAL HA H 46 3.496 3.496 3.670 -0.174 18250 8907 1 10 . 1 1 46 46 VAL C C 46 176.724 176.724 176.887 -0.163 18250 8908 1 10 . 1 1 46 46 VAL CA C 46 66.189 66.189 65.235 0.954 18250 8909 1 10 . 1 1 46 46 VAL CB C 46 31.811 31.811 30.710 1.101 18250 8910 1 10 . 1 1 46 46 VAL H H 46 7.569 7.569 7.644 -0.075 18250 8911 1 10 . 1 1 47 47 LYS N N 47 117.922 117.922 119.339 -1.417 18250 8912 1 10 . 1 1 47 47 LYS HA H 47 3.719 3.719 3.802 -0.083 18250 8913 1 10 . 1 1 47 47 LYS C C 47 178.888 178.888 178.764 0.124 18250 8914 1 10 . 1 1 47 47 LYS CA C 47 59.801 59.801 59.942 -0.141 18250 8915 1 10 . 1 1 47 47 LYS CB C 47 32.514 32.514 32.195 0.319 18250 8916 1 10 . 1 1 47 47 LYS H H 47 7.437 7.437 8.305 -0.868 18250 8917 1 10 . 1 1 48 48 GLN N N 48 116.490 116.490 118.996 -2.506 18250 8918 1 10 . 1 1 48 48 GLN HA H 48 3.712 3.712 4.074 -0.362 18250 8919 1 10 . 1 1 48 48 GLN C C 48 177.625 177.625 177.610 0.015 18250 8920 1 10 . 1 1 48 48 GLN CA C 48 59.027 59.027 58.067 0.960 18250 8921 1 10 . 1 1 48 48 GLN CB C 48 28.103 28.103 28.183 -0.080 18250 8922 1 10 . 1 1 48 48 GLN H H 48 8.168 8.168 7.428 0.741 18250 8923 1 10 . 1 1 49 49 ALA N N 49 120.362 120.362 124.323 -3.961 18250 8924 1 10 . 1 1 49 49 ALA HA H 49 4.227 4.227 4.007 0.220 18250 8925 1 10 . 1 1 49 49 ALA C C 49 179.807 179.807 179.529 0.278 18250 8926 1 10 . 1 1 49 49 ALA CA C 49 54.930 54.930 55.063 -0.133 18250 8927 1 10 . 1 1 49 49 ALA CB C 49 18.708 18.708 18.342 0.366 18250 8928 1 10 . 1 1 49 49 ALA H H 49 7.789 7.789 8.126 -0.337 18250 8929 1 10 . 1 1 50 50 LEU N N 50 120.591 120.591 118.191 2.400 18250 8930 1 10 . 1 1 50 50 LEU HA H 50 4.151 4.151 4.191 -0.040 18250 8931 1 10 . 1 1 50 50 LEU C C 50 179.225 179.225 179.188 0.037 18250 8932 1 10 . 1 1 50 50 LEU CA C 50 58.581 58.581 57.394 1.187 18250 8933 1 10 . 1 1 50 50 LEU CB C 50 42.279 42.279 40.489 1.790 18250 8934 1 10 . 1 1 50 50 LEU H H 50 8.491 8.491 8.673 -0.182 18250 8935 1 10 . 1 1 51 51 ARG N N 51 118.934 118.934 120.246 -1.312 18250 8936 1 10 . 1 1 51 51 ARG HA H 51 3.772 3.772 3.765 0.007 18250 8937 1 10 . 1 1 51 51 ARG C C 51 178.618 178.618 178.606 0.012 18250 8938 1 10 . 1 1 51 51 ARG CA C 51 60.954 60.954 59.406 1.548 18250 8939 1 10 . 1 1 51 51 ARG CB C 51 30.888 30.888 29.814 1.074 18250 8940 1 10 . 1 1 51 51 ARG H H 51 8.170 8.170 7.508 0.662 18250 8941 1 10 . 1 1 52 52 GLU N N 52 116.532 116.532 118.814 -2.282 18250 8942 1 10 . 1 1 52 52 GLU HA H 52 4.156 4.156 4.109 0.047 18250 8943 1 10 . 1 1 52 52 GLU C C 52 179.937 179.937 178.588 1.349 18250 8944 1 10 . 1 1 52 52 GLU CA C 52 59.383 59.383 58.763 0.620 18250 8945 1 10 . 1 1 52 52 GLU CB C 52 29.640 29.640 29.525 0.115 18250 8946 1 10 . 1 1 52 52 GLU H H 52 7.914 7.914 7.721 0.193 18250 8947 1 10 . 1 1 53 53 ALA N N 53 123.226 123.226 121.950 1.276 18250 8948 1 10 . 1 1 53 53 ALA HA H 53 4.473 4.473 3.524 0.949 18250 8949 1 10 . 1 1 53 53 ALA C C 53 181.683 181.683 179.754 1.929 18250 8950 1 10 . 1 1 53 53 ALA CA C 53 55.114 55.114 54.818 0.296 18250 8951 1 10 . 1 1 53 53 ALA CB C 53 19.476 19.476 18.144 1.332 18250 8952 1 10 . 1 1 53 53 ALA H H 53 8.902 8.902 8.506 0.396 18250 8953 1 10 . 1 1 54 54 GLY N N 54 108.711 108.711 105.656 3.055 18250 8954 1 10 . 1 1 54 54 GLY C C 54 175.330 175.330 175.926 -0.596 18250 8955 1 10 . 1 1 54 54 GLY CA C 54 47.111 47.111 47.230 -0.119 18250 8956 1 10 . 1 1 54 54 GLY H H 54 9.186 9.186 8.702 0.484 18250 8957 1 10 . 1 1 55 55 ASP N N 55 122.891 122.891 121.007 1.884 18250 8958 1 10 . 1 1 55 55 ASP C C 55 179.023 179.023 177.844 1.179 18250 8959 1 10 . 1 1 55 55 ASP CA C 55 57.752 57.752 56.731 1.021 18250 8960 1 10 . 1 1 55 55 ASP CB C 55 39.839 39.839 41.271 -1.432 18250 8961 1 10 . 1 1 55 55 ASP H H 55 8.224 8.224 7.602 0.622 18250 8962 1 10 . 1 1 56 56 GLU N N 56 120.753 120.753 121.011 -0.258 18250 8963 1 10 . 1 1 56 56 GLU HA H 56 4.180 4.180 4.046 0.134 18250 8964 1 10 . 1 1 56 56 GLU C C 56 178.472 178.472 178.759 -0.287 18250 8965 1 10 . 1 1 56 56 GLU CA C 56 59.600 59.600 59.163 0.437 18250 8966 1 10 . 1 1 56 56 GLU CB C 56 29.782 29.782 29.512 0.270 18250 8967 1 10 . 1 1 56 56 GLU H H 56 8.282 8.282 7.946 0.336 18250 8968 1 10 . 1 1 57 57 PHE N N 57 121.604 121.604 119.608 1.996 18250 8969 1 10 . 1 1 57 57 PHE HA H 57 4.341 4.341 4.259 0.082 18250 8970 1 10 . 1 1 57 57 PHE C C 57 177.008 177.008 177.267 -0.259 18250 8971 1 10 . 1 1 57 57 PHE CA C 57 61.915 61.915 61.797 0.118 18250 8972 1 10 . 1 1 57 57 PHE CB C 57 40.025 40.025 39.612 0.413 18250 8973 1 10 . 1 1 57 57 PHE H H 57 8.671 8.671 8.713 -0.042 18250 8974 1 10 . 1 1 58 58 GLU N N 58 116.765 116.765 120.182 -3.417 18250 8975 1 10 . 1 1 58 58 GLU HA H 58 3.667 3.667 3.945 -0.278 18250 8976 1 10 . 1 1 58 58 GLU C C 58 177.661 177.661 178.286 -0.625 18250 8977 1 10 . 1 1 58 58 GLU CA C 58 58.795 58.795 59.512 -0.717 18250 8978 1 10 . 1 1 58 58 GLU CB C 58 29.783 29.783 29.573 0.210 18250 8979 1 10 . 1 1 58 58 GLU H H 58 8.136 8.136 7.895 0.241 18250 8980 1 10 . 1 1 59 59 LEU N N 59 117.344 117.344 117.660 -0.316 18250 8981 1 10 . 1 1 59 59 LEU HA H 59 4.201 4.201 4.289 -0.088 18250 8982 1 10 . 1 1 59 59 LEU C C 59 178.953 178.953 177.557 1.396 18250 8983 1 10 . 1 1 59 59 LEU CA C 59 56.973 56.973 56.065 0.908 18250 8984 1 10 . 1 1 59 59 LEU CB C 59 42.976 42.976 42.170 0.806 18250 8985 1 10 . 1 1 59 59 LEU H H 59 7.513 7.513 8.067 -0.554 18250 8986 1 10 . 1 1 60 60 ARG N N 60 117.779 117.779 119.941 -2.162 18250 8987 1 10 . 1 1 60 60 ARG HA H 60 3.957 3.957 4.084 -0.127 18250 8988 1 10 . 1 1 60 60 ARG C C 60 177.342 177.342 176.845 0.497 18250 8989 1 10 . 1 1 60 60 ARG CA C 60 57.901 57.901 57.071 0.831 18250 8990 1 10 . 1 1 60 60 ARG CB C 60 31.153 31.153 31.442 -0.289 18250 8991 1 10 . 1 1 60 60 ARG H H 60 8.072 8.072 7.236 0.836 18250 8992 1 10 . 1 1 61 61 TYR N N 61 119.056 119.056 117.235 1.821 18250 8993 1 10 . 1 1 61 61 TYR HA H 61 4.744 4.744 4.702 0.042 18250 8994 1 10 . 1 1 61 61 TYR C C 61 175.214 175.214 175.300 -0.086 18250 8995 1 10 . 1 1 61 61 TYR CA C 61 56.294 56.294 56.232 0.062 18250 8996 1 10 . 1 1 61 61 TYR CB C 61 37.024 37.024 38.190 -1.166 18250 8997 1 10 . 1 1 61 61 TYR H H 61 8.050 8.050 8.168 -0.118 18250 8998 1 10 . 1 1 62 62 ARG N N 62 119.956 119.956 122.415 -2.459 18250 8999 1 10 . 1 1 62 62 ARG HA H 62 4.058 4.058 4.052 0.006 18250 9000 1 10 . 1 1 62 62 ARG C C 62 178.183 178.183 177.986 0.197 18250 9001 1 10 . 1 1 62 62 ARG CA C 62 59.025 59.025 59.877 -0.852 18250 9002 1 10 . 1 1 62 62 ARG CB C 62 30.139 30.139 30.190 -0.051 18250 9003 1 10 . 1 1 62 62 ARG H H 62 7.419 7.419 8.356 -0.937 18250 9004 1 10 . 1 1 63 63 ARG HA H 63 4.222 4.222 4.190 0.032 18250 9005 1 10 . 1 1 63 63 ARG C C 63 177.387 177.387 178.080 -0.693 18250 9006 1 10 . 1 1 63 63 ARG CA C 63 57.730 57.730 59.108 -1.377 18250 9007 1 10 . 1 1 63 63 ARG CB C 63 29.179 29.179 29.529 -0.350 18250 9008 1 10 . 1 1 64 64 ALA N N 64 122.003 122.003 121.828 0.175 18250 9009 1 10 . 1 1 64 64 ALA HA H 64 4.100 4.100 4.259 -0.159 18250 9010 1 10 . 1 1 64 64 ALA C C 64 179.975 179.975 179.445 0.530 18250 9011 1 10 . 1 1 64 64 ALA CA C 64 54.579 54.579 54.383 0.196 18250 9012 1 10 . 1 1 64 64 ALA CB C 64 18.636 18.636 18.491 0.145 18250 9013 1 10 . 1 1 64 64 ALA H H 64 7.868 7.868 7.858 0.010 18250 9014 1 10 . 1 1 65 65 PHE N N 65 115.858 115.858 120.767 -4.909 18250 9015 1 10 . 1 1 65 65 PHE HA H 65 4.800 4.800 4.314 0.486 18250 9016 1 10 . 1 1 65 65 PHE C C 65 177.376 177.376 177.729 -0.353 18250 9017 1 10 . 1 1 65 65 PHE CA C 65 58.222 58.222 61.836 -3.614 18250 9018 1 10 . 1 1 65 65 PHE CB C 65 38.877 38.877 39.371 -0.494 18250 9019 1 10 . 1 1 65 65 PHE H H 65 8.579 8.579 8.883 -0.304 18250 9020 1 10 . 1 1 66 66 SER N N 66 116.942 116.942 114.532 2.410 18250 9021 1 10 . 1 1 66 66 SER HA H 66 4.223 4.223 3.983 0.240 18250 9022 1 10 . 1 1 66 66 SER C C 66 176.472 176.472 176.678 -0.206 18250 9023 1 10 . 1 1 66 66 SER CA C 66 61.764 61.764 61.951 -0.187 18250 9024 1 10 . 1 1 66 66 SER CB C 66 63.012 63.012 62.780 0.232 18250 9025 1 10 . 1 1 66 66 SER H H 66 8.232 8.232 8.361 -0.129 18250 9026 1 10 . 1 1 67 67 ASP N N 67 121.623 121.623 122.231 -0.608 18250 9027 1 10 . 1 1 67 67 ASP HA H 67 4.487 4.487 4.471 0.016 18250 9028 1 10 . 1 1 67 67 ASP C C 67 178.404 178.404 177.965 0.439 18250 9029 1 10 . 1 1 67 67 ASP CA C 67 56.827 56.827 56.732 0.095 18250 9030 1 10 . 1 1 67 67 ASP CB C 67 40.176 40.176 41.416 -1.240 18250 9031 1 10 . 1 1 67 67 ASP H H 67 8.476 8.476 7.479 0.997 18250 9032 1 10 . 1 1 68 68 LEU N N 68 121.200 121.200 120.456 0.744 18250 9033 1 10 . 1 1 68 68 LEU HA H 68 4.104 4.104 4.140 -0.036 18250 9034 1 10 . 1 1 68 68 LEU C C 68 179.046 179.046 178.798 0.248 18250 9035 1 10 . 1 1 68 68 LEU CA C 68 57.972 57.972 57.091 0.881 18250 9036 1 10 . 1 1 68 68 LEU CB C 68 42.555 42.555 42.052 0.503 18250 9037 1 10 . 1 1 68 68 LEU H H 68 7.889 7.889 8.236 -0.347 18250 9038 1 10 . 1 1 69 69 THR N N 69 110.282 110.282 114.890 -4.608 18250 9039 1 10 . 1 1 69 69 THR HA H 69 4.086 4.086 3.514 0.572 18250 9040 1 10 . 1 1 69 69 THR C C 69 177.457 177.457 176.362 1.095 18250 9041 1 10 . 1 1 69 69 THR CA C 69 65.839 65.839 66.045 -0.206 18250 9042 1 10 . 1 1 69 69 THR CB C 69 68.442 68.442 68.005 0.437 18250 9043 1 10 . 1 1 69 69 THR H H 69 8.493 8.493 8.442 0.051 18250 9044 1 10 . 1 1 70 70 SER N N 70 116.582 116.582 117.820 -1.238 18250 9045 1 10 . 1 1 70 70 SER HA H 70 4.330 4.330 3.802 0.528 18250 9046 1 10 . 1 1 70 70 SER C C 70 175.607 175.607 176.222 -0.615 18250 9047 1 10 . 1 1 70 70 SER CA C 70 60.676 60.676 61.202 -0.526 18250 9048 1 10 . 1 1 70 70 SER CB C 70 63.301 63.301 62.746 0.555 18250 9049 1 10 . 1 1 70 70 SER H H 70 7.754 7.754 7.605 0.149 18250 9050 1 10 . 1 1 71 71 GLN N N 71 119.129 119.129 121.511 -2.382 18250 9051 1 10 . 1 1 71 71 GLN HA H 71 4.108 4.108 4.150 -0.042 18250 9052 1 10 . 1 1 71 71 GLN C C 71 176.338 176.338 176.854 -0.516 18250 9053 1 10 . 1 1 71 71 GLN CA C 71 57.407 57.407 57.765 -0.358 18250 9054 1 10 . 1 1 71 71 GLN CB C 71 29.533 29.533 28.778 0.755 18250 9055 1 10 . 1 1 71 71 GLN H H 71 7.754 7.754 7.524 0.230 18250 9056 1 10 . 1 1 72 72 LEU N N 72 118.804 118.804 118.431 0.373 18250 9057 1 10 . 1 1 72 72 LEU HA H 72 4.312 4.312 4.409 -0.097 18250 9058 1 10 . 1 1 72 72 LEU C C 72 174.285 174.285 175.466 -1.181 18250 9059 1 10 . 1 1 72 72 LEU CA C 72 55.437 55.437 53.199 2.238 18250 9060 1 10 . 1 1 72 72 LEU CB C 72 43.888 43.888 42.827 1.062 18250 9061 1 10 . 1 1 72 72 LEU H H 72 7.577 7.577 7.151 0.426 18250 9062 1 10 . 1 1 73 73 HIS HA H 73 4.644 4.644 4.457 0.187 18250 9063 1 10 . 1 1 73 73 HIS C C 73 174.452 174.452 175.241 -0.789 18250 9064 1 10 . 1 1 73 73 HIS CA C 73 54.964 54.964 58.248 -3.284 18250 9065 1 10 . 1 1 73 73 HIS CB C 73 28.747 28.747 29.485 -0.738 18250 9066 1 10 . 1 1 74 74 ILE N N 74 122.470 122.470 127.553 -5.083 18250 9067 1 10 . 1 1 74 74 ILE HA H 74 4.207 4.207 4.219 -0.012 18250 9068 1 10 . 1 1 74 74 ILE CA C 74 61.962 61.962 61.247 0.715 18250 9069 1 10 . 1 1 74 74 ILE CB C 74 38.952 38.952 38.430 0.522 18250 9070 1 10 . 1 1 74 74 ILE H H 74 8.767 8.767 8.114 0.653 18250 9071 1 10 . 1 1 75 75 THR N N 75 120.535 120.535 125.647 -5.112 18250 9072 1 10 . 1 1 75 75 THR HA H 75 4.325 4.325 4.469 -0.144 18250 9073 1 10 . 1 1 75 75 THR H H 75 7.953 7.953 8.013 -0.060 18250 9074 1 10 . 1 1 77 77 GLY CA C 77 44.791 44.791 45.041 -0.250 18250 9075 1 10 . 1 1 78 78 THR N N 78 130.040 130.040 114.084 15.956 18250 9076 1 10 . 1 1 78 78 THR HA H 78 4.147 4.147 4.444 -0.297 18250 9077 1 10 . 1 1 78 78 THR H H 78 8.795 8.795 7.954 0.841 18250 9078 1 10 . 1 1 79 79 ALA HA H 79 4.827 4.827 4.592 0.235 18250 9079 1 10 . 1 1 79 79 ALA C C 79 177.644 177.644 176.424 1.220 18250 9080 1 10 . 1 1 79 79 ALA CA C 79 51.117 51.117 51.378 -0.261 18250 9081 1 10 . 1 1 79 79 ALA CB C 79 21.518 21.518 20.172 1.346 18250 9082 1 10 . 1 1 80 80 TYR N N 80 121.374 121.374 120.425 0.949 18250 9083 1 10 . 1 1 80 80 TYR HA H 80 4.648 4.648 3.376 1.272 18250 9084 1 10 . 1 1 80 80 TYR C C 80 176.560 176.560 176.613 -0.053 18250 9085 1 10 . 1 1 80 80 TYR CA C 80 60.846 60.846 60.749 0.097 18250 9086 1 10 . 1 1 80 80 TYR CB C 80 38.165 38.165 38.362 -0.197 18250 9087 1 10 . 1 1 80 80 TYR H H 80 8.858 8.858 8.467 0.391 18250 9088 1 10 . 1 1 81 81 GLN N N 81 115.124 115.124 118.249 -3.125 18250 9089 1 10 . 1 1 81 81 GLN HA H 81 3.802 3.802 3.830 -0.028 18250 9090 1 10 . 1 1 81 81 GLN C C 81 178.330 178.330 178.061 0.269 18250 9091 1 10 . 1 1 81 81 GLN CA C 81 59.911 59.911 58.919 0.993 18250 9092 1 10 . 1 1 81 81 GLN CB C 81 28.016 28.016 27.665 0.351 18250 9093 1 10 . 1 1 81 81 GLN H H 81 8.532 8.532 8.663 -0.131 18250 9094 1 10 . 1 1 82 82 SER N N 82 114.423 114.423 115.577 -1.154 18250 9095 1 10 . 1 1 82 82 SER HA H 82 4.253 4.253 4.128 0.125 18250 9096 1 10 . 1 1 82 82 SER CA C 82 62.089 62.089 61.083 1.006 18250 9097 1 10 . 1 1 82 82 SER CB C 82 63.338 63.338 62.724 0.614 18250 9098 1 10 . 1 1 82 82 SER H H 82 7.356 7.356 7.519 -0.163 18250 9099 1 10 . 1 1 83 83 PHE HA H 83 3.937 3.937 4.033 -0.096 18250 9100 1 10 . 1 1 83 83 PHE C C 83 175.136 175.136 176.452 -1.316 18250 9101 1 10 . 1 1 83 83 PHE CA C 83 61.335 61.335 60.689 0.646 18250 9102 1 10 . 1 1 83 83 PHE CB C 83 39.433 39.433 39.209 0.224 18250 9103 1 10 . 1 1 84 84 GLU N N 84 119.917 119.917 119.369 0.548 18250 9104 1 10 . 1 1 84 84 GLU HA H 84 3.331 3.331 3.463 -0.132 18250 9105 1 10 . 1 1 84 84 GLU C C 84 177.012 177.012 178.328 -1.316 18250 9106 1 10 . 1 1 84 84 GLU CA C 84 59.146 59.146 59.517 -0.370 18250 9107 1 10 . 1 1 84 84 GLU CB C 84 30.460 30.460 29.106 1.354 18250 9108 1 10 . 1 1 84 84 GLU H H 84 8.659 8.659 8.402 0.257 18250 9109 1 10 . 1 1 85 85 GLN N N 85 115.027 115.027 116.808 -1.781 18250 9110 1 10 . 1 1 85 85 GLN HA H 85 3.888 3.888 3.928 -0.040 18250 9111 1 10 . 1 1 85 85 GLN C C 85 178.571 178.571 177.852 0.719 18250 9112 1 10 . 1 1 85 85 GLN CA C 85 59.103 59.103 58.309 0.794 18250 9113 1 10 . 1 1 85 85 GLN CB C 85 28.586 28.586 28.694 -0.108 18250 9114 1 10 . 1 1 85 85 GLN H H 85 7.592 7.592 7.486 0.106 18250 9115 1 10 . 1 1 86 86 VAL N N 86 118.481 118.481 117.000 1.481 18250 9116 1 10 . 1 1 86 86 VAL HA H 86 3.644 3.644 3.756 -0.112 18250 9117 1 10 . 1 1 86 86 VAL C C 86 177.898 177.898 177.910 -0.012 18250 9118 1 10 . 1 1 86 86 VAL CA C 86 66.100 66.100 64.936 1.163 18250 9119 1 10 . 1 1 86 86 VAL CB C 86 31.799 31.799 32.148 -0.349 18250 9120 1 10 . 1 1 86 86 VAL H H 86 7.164 7.164 7.189 -0.025 18250 9121 1 10 . 1 1 87 87 VAL N N 87 119.825 119.825 117.942 1.883 18250 9122 1 10 . 1 1 87 87 VAL HA H 87 3.028 3.028 3.494 -0.466 18250 9123 1 10 . 1 1 87 87 VAL C C 87 177.853 177.853 177.265 0.588 18250 9124 1 10 . 1 1 87 87 VAL CA C 87 66.394 66.394 64.893 1.501 18250 9125 1 10 . 1 1 87 87 VAL CB C 87 31.044 31.044 30.106 0.938 18250 9126 1 10 . 1 1 87 87 VAL H H 87 7.980 7.980 7.561 0.419 18250 9127 1 10 . 1 1 88 88 ASN N N 88 117.625 117.625 118.669 -1.044 18250 9128 1 10 . 1 1 88 88 ASN HA H 88 4.283 4.283 4.533 -0.250 18250 9129 1 10 . 1 1 88 88 ASN C C 88 178.987 178.987 177.060 1.927 18250 9130 1 10 . 1 1 88 88 ASN CA C 88 55.449 55.449 55.164 0.285 18250 9131 1 10 . 1 1 88 88 ASN CB C 88 37.329 37.329 38.434 -1.105 18250 9132 1 10 . 1 1 88 88 ASN H H 88 8.437 8.437 8.345 0.092 18250 9133 1 10 . 1 1 89 89 GLU N N 89 118.940 118.940 119.614 -0.674 18250 9134 1 10 . 1 1 89 89 GLU HA H 89 4.001 4.001 4.139 -0.138 18250 9135 1 10 . 1 1 89 89 GLU C C 89 179.305 179.305 178.688 0.617 18250 9136 1 10 . 1 1 89 89 GLU CA C 89 59.016 59.016 58.110 0.906 18250 9137 1 10 . 1 1 89 89 GLU CB C 89 29.120 29.120 29.132 -0.012 18250 9138 1 10 . 1 1 89 89 GLU H H 89 7.377 7.377 7.974 -0.597 18250 9139 1 10 . 1 1 90 90 LEU N N 90 120.797 120.797 120.288 0.509 18250 9140 1 10 . 1 1 90 90 LEU HA H 90 3.821 3.821 3.977 -0.156 18250 9141 1 10 . 1 1 90 90 LEU C C 90 178.249 178.249 178.444 -0.195 18250 9142 1 10 . 1 1 90 90 LEU CA C 90 57.491 57.491 57.493 -0.002 18250 9143 1 10 . 1 1 90 90 LEU CB C 90 41.502 41.502 41.655 -0.153 18250 9144 1 10 . 1 1 90 90 LEU H H 90 7.608 7.608 7.376 0.232 18250 9145 1 10 . 1 1 91 91 PHE N N 91 113.366 113.366 118.617 -5.251 18250 9146 1 10 . 1 1 91 91 PHE HA H 91 4.532 4.532 4.076 0.456 18250 9147 1 10 . 1 1 91 91 PHE C C 91 176.475 176.475 178.064 -1.589 18250 9148 1 10 . 1 1 91 91 PHE CA C 91 57.504 57.504 61.287 -3.783 18250 9149 1 10 . 1 1 91 91 PHE CB C 91 39.470 39.470 39.204 0.266 18250 9150 1 10 . 1 1 91 91 PHE H H 91 7.024 7.024 7.618 -0.594 18250 9151 1 10 . 1 1 92 92 ARG N N 92 123.994 123.994 119.134 4.860 18250 9152 1 10 . 1 1 92 92 ARG HA H 92 3.965 3.965 4.155 -0.190 18250 9153 1 10 . 1 1 92 92 ARG C C 92 177.152 177.152 177.511 -0.359 18250 9154 1 10 . 1 1 92 92 ARG CA C 92 59.743 59.743 57.912 1.831 18250 9155 1 10 . 1 1 92 92 ARG CB C 92 30.171 30.171 29.792 0.379 18250 9156 1 10 . 1 1 92 92 ARG H H 92 7.237 7.237 8.098 -0.861 18250 9157 1 10 . 1 1 93 93 ASP N N 93 116.866 116.866 117.326 -0.460 18250 9158 1 10 . 1 1 93 93 ASP HA H 93 4.823 4.823 4.590 0.233 18250 9159 1 10 . 1 1 93 93 ASP C C 93 175.589 175.589 176.601 -1.012 18250 9160 1 10 . 1 1 93 93 ASP CA C 93 54.068 54.068 54.732 -0.664 18250 9161 1 10 . 1 1 93 93 ASP CB C 93 40.755 40.755 40.953 -0.198 18250 9162 1 10 . 1 1 93 93 ASP H H 93 8.711 8.711 7.890 0.821 18250 9163 1 10 . 1 1 94 94 GLY N N 94 108.978 108.978 107.839 1.139 18250 9164 1 10 . 1 1 94 94 GLY C C 94 172.635 172.635 174.768 -2.133 18250 9165 1 10 . 1 1 94 94 GLY CA C 94 43.818 43.818 44.564 -0.746 18250 9166 1 10 . 1 1 94 94 GLY H H 94 7.582 7.582 7.457 0.125 18250 9167 1 10 . 1 1 95 95 VAL N N 95 120.777 120.777 118.948 1.829 18250 9168 1 10 . 1 1 95 95 VAL HA H 95 3.545 3.545 3.409 0.136 18250 9169 1 10 . 1 1 95 95 VAL C C 95 174.452 174.452 174.279 0.173 18250 9170 1 10 . 1 1 95 95 VAL CA C 95 62.875 62.875 63.503 -0.628 18250 9171 1 10 . 1 1 95 95 VAL CB C 95 32.148 32.148 31.259 0.888 18250 9172 1 10 . 1 1 95 95 VAL H H 95 8.293 8.293 7.108 1.185 18250 9173 1 10 . 1 1 96 96 ASN N N 96 116.198 116.198 125.895 -9.697 18250 9174 1 10 . 1 1 96 96 ASN HA H 96 4.070 4.070 4.360 -0.290 18250 9175 1 10 . 1 1 96 96 ASN C C 96 175.243 175.243 175.404 -0.161 18250 9176 1 10 . 1 1 96 96 ASN CA C 96 51.784 51.784 51.194 0.590 18250 9177 1 10 . 1 1 96 96 ASN CB C 96 39.849 39.849 40.594 -0.745 18250 9178 1 10 . 1 1 96 96 ASN H H 96 6.401 6.401 7.769 -1.368 18250 9179 1 10 . 1 1 97 97 TRP N N 97 118.776 118.776 120.602 -1.826 18250 9180 1 10 . 1 1 97 97 TRP HA H 97 4.588 4.588 4.366 0.222 18250 9181 1 10 . 1 1 97 97 TRP C C 97 178.207 178.207 178.062 0.145 18250 9182 1 10 . 1 1 97 97 TRP CA C 97 61.083 61.083 61.048 0.035 18250 9183 1 10 . 1 1 97 97 TRP CB C 97 30.676 30.676 29.387 1.289 18250 9184 1 10 . 1 1 97 97 TRP H H 97 8.530 8.530 8.756 -0.226 18250 9185 1 10 . 1 1 98 98 GLY N N 98 106.573 106.573 105.863 0.710 18250 9186 1 10 . 1 1 98 98 GLY C C 98 177.485 177.485 176.168 1.317 18250 9187 1 10 . 1 1 98 98 GLY CA C 98 47.505 47.505 46.409 1.096 18250 9188 1 10 . 1 1 98 98 GLY H H 98 8.634 8.634 8.666 -0.032 18250 9189 1 10 . 1 1 99 99 ARG N N 99 121.627 121.627 120.500 1.127 18250 9190 1 10 . 1 1 99 99 ARG HA H 99 3.999 3.999 4.052 -0.053 18250 9191 1 10 . 1 1 99 99 ARG C C 99 177.693 177.693 178.281 -0.588 18250 9192 1 10 . 1 1 99 99 ARG CA C 99 58.487 58.487 57.824 0.663 18250 9193 1 10 . 1 1 99 99 ARG CB C 99 31.363 31.363 29.726 1.637 18250 9194 1 10 . 1 1 99 99 ARG H H 99 8.214 8.214 7.831 0.383 18250 9195 1 10 . 1 1 100 100 ILE N N 100 121.379 121.379 120.659 0.720 18250 9196 1 10 . 1 1 100 100 ILE HA H 100 3.986 3.986 3.933 0.053 18250 9197 1 10 . 1 1 100 100 ILE C C 100 178.143 178.143 178.009 0.134 18250 9198 1 10 . 1 1 100 100 ILE CA C 100 67.148 67.148 64.785 2.362 18250 9199 1 10 . 1 1 100 100 ILE CB C 100 37.099 37.099 37.532 -0.433 18250 9200 1 10 . 1 1 100 100 ILE H H 100 7.810 7.810 7.139 0.671 18250 9201 1 10 . 1 1 101 101 VAL N N 101 121.444 121.444 119.957 1.487 18250 9202 1 10 . 1 1 101 101 VAL HA H 101 3.458 3.458 3.391 0.067 18250 9203 1 10 . 1 1 101 101 VAL C C 101 177.752 177.752 177.774 -0.022 18250 9204 1 10 . 1 1 101 101 VAL CA C 101 68.165 68.165 66.304 1.861 18250 9205 1 10 . 1 1 101 101 VAL CB C 101 31.423 31.423 30.446 0.977 18250 9206 1 10 . 1 1 101 101 VAL H H 101 8.378 8.378 7.567 0.811 18250 9207 1 10 . 1 1 102 102 ALA N N 102 121.864 121.864 122.761 -0.897 18250 9208 1 10 . 1 1 102 102 ALA HA H 102 3.174 3.174 3.288 -0.114 18250 9209 1 10 . 1 1 102 102 ALA C C 102 178.223 178.223 180.002 -1.779 18250 9210 1 10 . 1 1 102 102 ALA CA C 102 55.256 55.256 54.121 1.135 18250 9211 1 10 . 1 1 102 102 ALA CB C 102 18.631 18.631 17.795 0.836 18250 9212 1 10 . 1 1 102 102 ALA H H 102 7.693 7.693 7.947 -0.254 18250 9213 1 10 . 1 1 103 103 PHE N N 103 119.560 119.560 120.069 -0.509 18250 9214 1 10 . 1 1 103 103 PHE HA H 103 3.986 3.986 4.179 -0.193 18250 9215 1 10 . 1 1 103 103 PHE C C 103 176.264 176.264 177.130 -0.866 18250 9216 1 10 . 1 1 103 103 PHE CA C 103 60.811 60.811 61.249 -0.438 18250 9217 1 10 . 1 1 103 103 PHE CB C 103 38.585 38.585 39.182 -0.598 18250 9218 1 10 . 1 1 103 103 PHE H H 103 8.096 8.096 8.018 0.078 18250 9219 1 10 . 1 1 104 104 PHE N N 104 120.694 120.694 117.166 3.528 18250 9220 1 10 . 1 1 104 104 PHE HA H 104 3.347 3.347 3.918 -0.571 18250 9221 1 10 . 1 1 104 104 PHE C C 104 177.604 177.604 177.462 0.142 18250 9222 1 10 . 1 1 104 104 PHE CA C 104 62.995 62.995 59.574 3.421 18250 9223 1 10 . 1 1 104 104 PHE CB C 104 36.626 36.626 38.360 -1.734 18250 9224 1 10 . 1 1 104 104 PHE H H 104 8.087 8.087 8.150 -0.063 18250 9225 1 10 . 1 1 105 105 SER N N 105 114.775 114.775 116.054 -1.279 18250 9226 1 10 . 1 1 105 105 SER HA H 105 4.444 4.444 4.309 0.135 18250 9227 1 10 . 1 1 105 105 SER C C 105 177.605 177.605 176.760 0.845 18250 9228 1 10 . 1 1 105 105 SER CA C 105 63.767 63.767 61.289 2.478 18250 9229 1 10 . 1 1 105 105 SER CB C 105 63.409 63.409 62.250 1.159 18250 9230 1 10 . 1 1 105 105 SER H H 105 8.514 8.514 8.485 0.029 18250 9231 1 10 . 1 1 106 106 PHE N N 106 124.632 124.632 123.225 1.407 18250 9232 1 10 . 1 1 106 106 PHE HA H 106 4.071 4.071 4.532 -0.461 18250 9233 1 10 . 1 1 106 106 PHE C C 106 176.639 176.639 178.522 -1.883 18250 9234 1 10 . 1 1 106 106 PHE CA C 106 60.185 60.185 59.768 0.417 18250 9235 1 10 . 1 1 106 106 PHE CB C 106 38.639 38.639 37.842 0.797 18250 9236 1 10 . 1 1 106 106 PHE H H 106 9.146 9.146 8.196 0.950 18250 9237 1 10 . 1 1 107 107 GLY N N 107 106.495 106.495 106.747 -0.252 18250 9238 1 10 . 1 1 107 107 GLY C C 107 176.647 176.647 176.291 0.356 18250 9239 1 10 . 1 1 107 107 GLY CA C 107 47.998 47.998 47.090 0.908 18250 9240 1 10 . 1 1 107 107 GLY H H 107 8.063 8.063 7.868 0.195 18250 9241 1 10 . 1 1 108 108 GLY N N 108 107.786 107.786 108.730 -0.944 18250 9242 1 10 . 1 1 108 108 GLY C C 108 174.589 174.589 175.067 -0.478 18250 9243 1 10 . 1 1 108 108 GLY CA C 108 47.931 47.931 46.563 1.368 18250 9244 1 10 . 1 1 108 108 GLY H H 108 8.900 8.900 8.191 0.709 18250 9245 1 10 . 1 1 109 109 ALA N N 109 124.959 124.959 123.783 1.176 18250 9246 1 10 . 1 1 109 109 ALA HA H 109 4.216 4.216 4.432 -0.216 18250 9247 1 10 . 1 1 109 109 ALA C C 109 181.113 181.113 178.980 2.133 18250 9248 1 10 . 1 1 109 109 ALA CA C 109 55.098 55.098 54.150 0.948 18250 9249 1 10 . 1 1 109 109 ALA CB C 109 18.418 18.418 19.522 -1.104 18250 9250 1 10 . 1 1 109 109 ALA H H 109 8.343 8.343 7.703 0.640 18250 9251 1 10 . 1 1 110 110 LEU N N 110 119.336 119.336 120.600 -1.264 18250 9252 1 10 . 1 1 110 110 LEU HA H 110 4.017 4.017 4.289 -0.272 18250 9253 1 10 . 1 1 110 110 LEU C C 110 180.100 180.100 179.097 1.003 18250 9254 1 10 . 1 1 110 110 LEU CA C 110 57.400 57.400 57.874 -0.474 18250 9255 1 10 . 1 1 110 110 LEU CB C 110 42.562 42.562 41.858 0.704 18250 9256 1 10 . 1 1 110 110 LEU H H 110 8.296 8.296 8.521 -0.225 18250 9257 1 10 . 1 1 111 111 CYS N N 111 119.466 119.466 116.369 3.097 18250 9258 1 10 . 1 1 111 111 CYS HA H 111 3.818 3.818 4.047 -0.229 18250 9259 1 10 . 1 1 111 111 CYS C C 111 175.954 175.954 176.997 -1.043 18250 9260 1 10 . 1 1 111 111 CYS CA C 111 64.665 64.665 62.642 2.023 18250 9261 1 10 . 1 1 111 111 CYS CB C 111 26.724 26.724 26.645 0.079 18250 9262 1 10 . 1 1 111 111 CYS H H 111 8.207 8.207 8.752 -0.545 18250 9263 1 10 . 1 1 112 112 VAL N N 112 119.086 119.086 122.477 -3.391 18250 9264 1 10 . 1 1 112 112 VAL HA H 112 3.379 3.379 3.692 -0.313 18250 9265 1 10 . 1 1 112 112 VAL C C 112 177.356 177.356 178.034 -0.678 18250 9266 1 10 . 1 1 112 112 VAL CA C 112 67.316 67.316 66.400 0.916 18250 9267 1 10 . 1 1 112 112 VAL CB C 112 31.944 31.944 31.960 -0.016 18250 9268 1 10 . 1 1 112 112 VAL H H 112 8.110 8.110 7.686 0.424 18250 9269 1 10 . 1 1 113 113 GLU N N 113 119.448 119.448 119.339 0.109 18250 9270 1 10 . 1 1 113 113 GLU HA H 113 4.094 4.094 3.991 0.103 18250 9271 1 10 . 1 1 113 113 GLU C C 113 178.264 178.264 179.100 -0.836 18250 9272 1 10 . 1 1 113 113 GLU CA C 113 59.336 59.336 59.553 -0.217 18250 9273 1 10 . 1 1 113 113 GLU CB C 113 29.326 29.326 29.039 0.287 18250 9274 1 10 . 1 1 113 113 GLU H H 113 8.190 8.190 8.350 -0.160 18250 9275 1 10 . 1 1 114 114 SER N N 114 113.847 113.847 116.150 -2.303 18250 9276 1 10 . 1 1 114 114 SER HA H 114 3.886 3.886 4.208 -0.322 18250 9277 1 10 . 1 1 114 114 SER C C 114 175.485 175.485 176.256 -0.771 18250 9278 1 10 . 1 1 114 114 SER CA C 114 63.249 63.249 61.717 1.532 18250 9279 1 10 . 1 1 114 114 SER CB C 114 62.229 62.229 62.937 -0.708 18250 9280 1 10 . 1 1 114 114 SER H H 114 7.757 7.757 8.147 -0.390 18250 9281 1 10 . 1 1 115 115 VAL N N 115 121.093 121.093 120.760 0.333 18250 9282 1 10 . 1 1 115 115 VAL HA H 115 3.201 3.201 3.502 -0.301 18250 9283 1 10 . 1 1 115 115 VAL C C 115 179.471 179.471 178.445 1.026 18250 9284 1 10 . 1 1 115 115 VAL CA C 115 66.746 66.746 65.829 0.917 18250 9285 1 10 . 1 1 115 115 VAL CB C 115 31.412 31.412 30.727 0.685 18250 9286 1 10 . 1 1 115 115 VAL H H 115 7.423 7.423 7.435 -0.012 18250 9287 1 10 . 1 1 116 116 ASP N N 116 123.023 123.023 121.664 1.359 18250 9288 1 10 . 1 1 116 116 ASP HA H 116 4.398 4.398 4.459 -0.061 18250 9289 1 10 . 1 1 116 116 ASP C C 116 178.029 178.029 177.615 0.414 18250 9290 1 10 . 1 1 116 116 ASP CA C 116 57.471 57.471 56.622 0.849 18250 9291 1 10 . 1 1 116 116 ASP CB C 116 41.004 41.004 41.084 -0.080 18250 9292 1 10 . 1 1 116 116 ASP H H 116 8.365 8.365 8.297 0.068 18250 9293 1 10 . 1 1 117 117 LYS N N 117 116.212 116.212 117.924 -1.712 18250 9294 1 10 . 1 1 117 117 LYS HA H 117 4.384 4.384 4.320 0.064 18250 9295 1 10 . 1 1 117 117 LYS C C 117 175.049 175.049 175.612 -0.563 18250 9296 1 10 . 1 1 117 117 LYS CA C 117 55.685 55.685 56.328 -0.643 18250 9297 1 10 . 1 1 117 117 LYS CB C 117 32.317 32.317 32.502 -0.185 18250 9298 1 10 . 1 1 117 117 LYS H H 117 7.698 7.698 7.670 0.028 18250 9299 1 10 . 1 1 118 118 GLU N N 118 114.271 114.271 113.764 0.507 18250 9300 1 10 . 1 1 118 118 GLU HA H 118 3.973 3.973 3.872 0.101 18250 9301 1 10 . 1 1 118 118 GLU C C 118 176.065 176.065 175.718 0.347 18250 9302 1 10 . 1 1 118 118 GLU CA C 118 57.766 57.766 57.760 0.006 18250 9303 1 10 . 1 1 118 118 GLU CB C 118 26.540 26.540 27.520 -0.980 18250 9304 1 10 . 1 1 118 118 GLU H H 118 7.959 7.959 8.074 -0.115 18250 9305 1 10 . 1 1 119 119 MET N N 119 119.260 119.260 118.777 0.483 18250 9306 1 10 . 1 1 119 119 MET HA H 119 4.822 4.822 4.608 0.214 18250 9307 1 10 . 1 1 119 119 MET C C 119 176.817 176.817 175.696 1.121 18250 9308 1 10 . 1 1 119 119 MET CA C 119 53.675 53.675 54.347 -0.673 18250 9309 1 10 . 1 1 119 119 MET CB C 119 31.867 31.867 31.199 0.668 18250 9310 1 10 . 1 1 119 119 MET H H 119 8.542 8.542 8.507 0.035 18250 9311 1 10 . 1 1 120 120 GLN N N 120 119.766 119.766 120.808 -1.042 18250 9312 1 10 . 1 1 120 120 GLN HA H 120 3.489 3.489 3.745 -0.256 18250 9313 1 10 . 1 1 120 120 GLN C C 120 177.471 177.471 177.051 0.420 18250 9314 1 10 . 1 1 120 120 GLN CA C 120 60.166 60.166 58.217 1.949 18250 9315 1 10 . 1 1 120 120 GLN CB C 120 27.667 27.667 28.769 -1.102 18250 9316 1 10 . 1 1 120 120 GLN H H 120 8.796 8.796 8.047 0.749 18250 9317 1 10 . 1 1 121 121 VAL N N 121 117.292 117.292 113.857 3.435 18250 9318 1 10 . 1 1 121 121 VAL HA H 121 4.056 4.056 3.944 0.112 18250 9319 1 10 . 1 1 121 121 VAL C C 121 175.676 175.676 176.750 -1.074 18250 9320 1 10 . 1 1 121 121 VAL CA C 121 63.612 63.612 64.280 -0.668 18250 9321 1 10 . 1 1 121 121 VAL CB C 121 31.494 31.494 31.310 0.184 18250 9322 1 10 . 1 1 121 121 VAL H H 121 7.959 7.959 7.779 0.180 18250 9323 1 10 . 1 1 122 122 LEU N N 122 117.436 117.436 120.492 -3.056 18250 9324 1 10 . 1 1 122 122 LEU HA H 122 3.872 3.872 3.981 -0.109 18250 9325 1 10 . 1 1 122 122 LEU C C 122 177.962 177.962 178.513 -0.551 18250 9326 1 10 . 1 1 122 122 LEU CA C 122 55.528 55.528 57.856 -2.328 18250 9327 1 10 . 1 1 122 122 LEU CB C 122 41.369 41.369 41.311 0.058 18250 9328 1 10 . 1 1 122 122 LEU H H 122 7.887 7.887 7.069 0.818 18250 9329 1 10 . 1 1 123 123 VAL N N 123 120.028 120.028 119.138 0.890 18250 9330 1 10 . 1 1 123 123 VAL HA H 123 3.379 3.379 3.476 -0.097 18250 9331 1 10 . 1 1 123 123 VAL C C 123 177.040 177.040 176.950 0.090 18250 9332 1 10 . 1 1 123 123 VAL CA C 123 67.817 67.817 66.017 1.800 18250 9333 1 10 . 1 1 123 123 VAL CB C 123 30.889 30.889 31.481 -0.592 18250 9334 1 10 . 1 1 123 123 VAL H H 123 7.444 7.444 7.416 0.028 18250 9335 1 10 . 1 1 124 124 SER N N 124 111.168 111.168 113.843 -2.675 18250 9336 1 10 . 1 1 124 124 SER HA H 124 3.979 3.979 4.101 -0.122 18250 9337 1 10 . 1 1 124 124 SER C C 124 177.070 177.070 175.964 1.106 18250 9338 1 10 . 1 1 124 124 SER CA C 124 61.254 61.254 61.262 -0.008 18250 9339 1 10 . 1 1 124 124 SER CB C 124 62.403 62.403 62.538 -0.135 18250 9340 1 10 . 1 1 124 124 SER H H 124 8.394 8.394 7.286 1.108 18250 9341 1 10 . 1 1 125 125 ARG N N 125 123.526 123.526 120.523 3.003 18250 9342 1 10 . 1 1 125 125 ARG HA H 125 3.710 3.710 3.872 -0.162 18250 9343 1 10 . 1 1 125 125 ARG C C 125 175.751 175.751 177.659 -1.908 18250 9344 1 10 . 1 1 125 125 ARG CA C 125 58.738 58.738 58.115 0.622 18250 9345 1 10 . 1 1 125 125 ARG CB C 125 29.845 29.845 29.036 0.809 18250 9346 1 10 . 1 1 125 125 ARG H H 125 6.696 6.696 7.229 -0.533 18250 9347 1 10 . 1 1 126 126 ILE N N 126 118.795 118.795 121.379 -2.584 18250 9348 1 10 . 1 1 126 126 ILE HA H 126 2.855 2.855 3.229 -0.374 18250 9349 1 10 . 1 1 126 126 ILE C C 126 177.974 177.974 177.278 0.696 18250 9350 1 10 . 1 1 126 126 ILE CA C 126 64.959 64.959 65.054 -0.095 18250 9351 1 10 . 1 1 126 126 ILE CB C 126 37.666 37.666 37.376 0.290 18250 9352 1 10 . 1 1 126 126 ILE H H 126 8.124 8.124 8.087 0.037 18250 9353 1 10 . 1 1 127 127 ALA N N 127 119.674 119.674 121.250 -1.576 18250 9354 1 10 . 1 1 127 127 ALA HA H 127 3.902 3.902 3.884 0.018 18250 9355 1 10 . 1 1 127 127 ALA C C 127 179.395 179.395 179.166 0.229 18250 9356 1 10 . 1 1 127 127 ALA CA C 127 55.287 55.287 55.034 0.253 18250 9357 1 10 . 1 1 127 127 ALA CB C 127 18.520 18.520 17.997 0.523 18250 9358 1 10 . 1 1 127 127 ALA H H 127 7.711 7.711 7.565 0.146 18250 9359 1 10 . 1 1 128 128 ALA N N 128 120.850 120.850 121.864 -1.014 18250 9360 1 10 . 1 1 128 128 ALA HA H 128 4.173 4.173 3.961 0.212 18250 9361 1 10 . 1 1 128 128 ALA C C 128 181.038 181.038 179.556 1.482 18250 9362 1 10 . 1 1 128 128 ALA CA C 128 55.261 55.261 55.155 0.106 18250 9363 1 10 . 1 1 128 128 ALA CB C 128 17.822 17.822 18.433 -0.611 18250 9364 1 10 . 1 1 128 128 ALA H H 128 7.356 7.356 7.434 -0.078 18250 9365 1 10 . 1 1 129 129 TRP N N 129 121.648 121.648 119.269 2.379 18250 9366 1 10 . 1 1 129 129 TRP C C 129 179.558 179.558 178.960 0.598 18250 9367 1 10 . 1 1 129 129 TRP CA C 129 57.788 57.788 58.991 -1.203 18250 9368 1 10 . 1 1 129 129 TRP CB C 129 28.918 28.918 28.235 0.683 18250 9369 1 10 . 1 1 129 129 TRP H H 129 9.087 9.087 8.144 0.943 18250 9370 1 10 . 1 1 130 130 MET N N 130 117.535 117.535 118.540 -1.005 18250 9371 1 10 . 1 1 130 130 MET HA H 130 4.345 4.345 4.618 -0.273 18250 9372 1 10 . 1 1 130 130 MET C C 130 178.170 178.170 178.766 -0.596 18250 9373 1 10 . 1 1 130 130 MET CA C 130 60.179 60.179 59.879 0.300 18250 9374 1 10 . 1 1 130 130 MET CB C 130 34.928 34.928 32.190 2.738 18250 9375 1 10 . 1 1 130 130 MET H H 130 9.031 9.031 8.636 0.395 18250 9376 1 10 . 1 1 131 131 ALA N N 131 120.973 120.973 121.913 -0.940 18250 9377 1 10 . 1 1 131 131 ALA HA H 131 4.100 4.100 4.147 -0.047 18250 9378 1 10 . 1 1 131 131 ALA C C 131 176.249 176.249 179.597 -3.348 18250 9379 1 10 . 1 1 131 131 ALA CA C 131 56.176 56.176 55.468 0.708 18250 9380 1 10 . 1 1 131 131 ALA CB C 131 17.634 17.634 18.110 -0.476 18250 9381 1 10 . 1 1 131 131 ALA H H 131 8.274 8.274 8.523 -0.249 18250 9382 1 10 . 1 1 132 132 THR N N 132 117.211 117.211 117.125 0.086 18250 9383 1 10 . 1 1 132 132 THR HA H 132 3.959 3.959 3.898 0.061 18250 9384 1 10 . 1 1 132 132 THR C C 132 175.035 175.035 176.371 -1.336 18250 9385 1 10 . 1 1 132 132 THR CA C 132 67.312 67.312 67.979 -0.667 18250 9386 1 10 . 1 1 132 132 THR CB C 132 69.177 69.177 68.805 0.372 18250 9387 1 10 . 1 1 132 132 THR H H 132 8.648 8.648 8.264 0.384 18250 9388 1 10 . 1 1 133 133 TYR N N 133 123.705 123.705 124.052 -0.347 18250 9389 1 10 . 1 1 133 133 TYR HA H 133 4.018 4.018 4.565 -0.547 18250 9390 1 10 . 1 1 133 133 TYR C C 133 179.551 179.551 177.865 1.686 18250 9391 1 10 . 1 1 133 133 TYR CA C 133 63.577 63.577 61.898 1.679 18250 9392 1 10 . 1 1 133 133 TYR CB C 133 39.312 39.312 38.889 0.423 18250 9393 1 10 . 1 1 133 133 TYR H H 133 8.964 8.964 8.895 0.069 18250 9394 1 10 . 1 1 134 134 LEU N N 134 119.671 119.671 120.773 -1.102 18250 9395 1 10 . 1 1 134 134 LEU HA H 134 3.832 3.832 3.969 -0.137 18250 9396 1 10 . 1 1 134 134 LEU C C 134 178.321 178.321 178.567 -0.246 18250 9397 1 10 . 1 1 134 134 LEU CA C 134 59.586 59.586 58.070 1.516 18250 9398 1 10 . 1 1 134 134 LEU CB C 134 42.898 42.898 41.941 0.958 18250 9399 1 10 . 1 1 134 134 LEU H H 134 8.853 8.853 8.846 0.007 18250 9400 1 10 . 1 1 135 135 ASN N N 135 117.661 117.661 116.665 0.996 18250 9401 1 10 . 1 1 135 135 ASN HA H 135 4.353 4.353 4.580 -0.227 18250 9402 1 10 . 1 1 135 135 ASN C C 135 176.407 176.407 176.939 -0.532 18250 9403 1 10 . 1 1 135 135 ASN CA C 135 56.883 56.883 55.747 1.136 18250 9404 1 10 . 1 1 135 135 ASN CB C 135 39.219 39.219 38.526 0.693 18250 9405 1 10 . 1 1 135 135 ASN H H 135 8.455 8.455 8.592 -0.137 18250 9406 1 10 . 1 1 136 136 ASP N N 136 115.939 115.939 117.978 -2.039 18250 9407 1 10 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.514 -0.179 18250 9408 1 10 . 1 1 136 136 ASP C C 136 177.798 177.798 177.813 -0.015 18250 9409 1 10 . 1 1 136 136 ASP CA C 136 56.501 56.501 56.374 0.126 18250 9410 1 10 . 1 1 136 136 ASP CB C 136 40.861 40.861 41.569 -0.708 18250 9411 1 10 . 1 1 136 136 ASP H H 136 8.580 8.580 8.336 0.244 18250 9412 1 10 . 1 1 137 137 HIS N N 137 112.071 112.071 117.192 -5.121 18250 9413 1 10 . 1 1 137 137 HIS HA H 137 4.552 4.552 4.299 0.253 18250 9414 1 10 . 1 1 137 137 HIS C C 137 175.780 175.780 177.013 -1.233 18250 9415 1 10 . 1 1 137 137 HIS CA C 137 56.529 56.529 58.295 -1.766 18250 9416 1 10 . 1 1 137 137 HIS CB C 137 30.890 30.890 30.962 -0.072 18250 9417 1 10 . 1 1 137 137 HIS H H 137 8.202 8.202 7.900 0.302 18250 9418 1 10 . 1 1 138 138 LEU N N 138 117.363 117.363 120.566 -3.203 18250 9419 1 10 . 1 1 138 138 LEU HA H 138 4.550 4.550 4.337 0.213 18250 9420 1 10 . 1 1 138 138 LEU C C 138 176.369 176.369 178.161 -1.792 18250 9421 1 10 . 1 1 138 138 LEU CA C 138 55.696 55.696 56.197 -0.501 18250 9422 1 10 . 1 1 138 138 LEU CB C 138 43.465 43.465 41.947 1.518 18250 9423 1 10 . 1 1 138 138 LEU H H 138 7.306 7.306 8.014 -0.708 18250 9424 1 10 . 1 1 139 139 GLU N N 139 121.917 121.917 120.438 1.479 18250 9425 1 10 . 1 1 139 139 GLU HA H 139 4.351 4.351 3.974 0.377 18250 9426 1 10 . 1 1 139 139 GLU C C 139 173.816 173.816 175.957 -2.141 18250 9427 1 10 . 1 1 139 139 GLU CA C 139 60.529 60.529 61.459 -0.930 18250 9428 1 10 . 1 1 139 139 GLU CB C 139 27.774 27.774 27.368 0.406 18250 9429 1 10 . 1 1 139 139 GLU H H 139 8.706 8.706 8.598 0.108 18250 9430 1 10 . 1 1 140 140 PRO HA H 140 4.234 4.234 4.205 0.029 18250 9431 1 10 . 1 1 140 140 PRO C C 140 179.159 179.159 178.754 0.405 18250 9432 1 10 . 1 1 140 140 PRO CA C 140 66.582 66.582 65.775 0.807 18250 9433 1 10 . 1 1 140 140 PRO CB C 140 30.747 30.747 31.386 -0.639 18250 9434 1 10 . 1 1 141 141 TRP N N 141 118.367 118.367 119.503 -1.136 18250 9435 1 10 . 1 1 141 141 TRP HA H 141 3.855 3.855 4.323 -0.468 18250 9436 1 10 . 1 1 141 141 TRP C C 141 179.411 179.411 178.093 1.318 18250 9437 1 10 . 1 1 141 141 TRP CA C 141 62.205 62.205 60.945 1.260 18250 9438 1 10 . 1 1 141 141 TRP CB C 141 28.928 28.928 29.584 -0.656 18250 9439 1 10 . 1 1 141 141 TRP H H 141 7.195 7.195 7.497 -0.302 18250 9440 1 10 . 1 1 142 142 ILE N N 142 122.553 122.553 119.841 2.712 18250 9441 1 10 . 1 1 142 142 ILE HA H 142 2.891 2.891 3.378 -0.487 18250 9442 1 10 . 1 1 142 142 ILE C C 142 178.924 178.924 178.084 0.840 18250 9443 1 10 . 1 1 142 142 ILE CA C 142 66.241 66.241 65.519 0.721 18250 9444 1 10 . 1 1 142 142 ILE CB C 142 38.314 38.314 37.520 0.794 18250 9445 1 10 . 1 1 142 142 ILE H H 142 8.511 8.511 8.430 0.081 18250 9446 1 10 . 1 1 143 143 GLN N N 143 116.777 116.777 118.199 -1.422 18250 9447 1 10 . 1 1 143 143 GLN HA H 143 3.920 3.920 3.939 -0.019 18250 9448 1 10 . 1 1 143 143 GLN C C 143 179.455 179.455 178.613 0.842 18250 9449 1 10 . 1 1 143 143 GLN CA C 143 58.567 58.567 58.622 -0.055 18250 9450 1 10 . 1 1 143 143 GLN CB C 143 28.068 28.068 28.110 -0.042 18250 9451 1 10 . 1 1 143 143 GLN H H 143 8.514 8.514 8.340 0.174 18250 9452 1 10 . 1 1 144 144 GLU N N 144 119.467 119.467 118.397 1.070 18250 9453 1 10 . 1 1 144 144 GLU HA H 144 4.084 4.084 4.007 0.077 18250 9454 1 10 . 1 1 144 144 GLU C C 144 176.785 176.785 177.648 -0.863 18250 9455 1 10 . 1 1 144 144 GLU CA C 144 57.902 57.902 58.493 -0.591 18250 9456 1 10 . 1 1 144 144 GLU CB C 144 29.915 29.915 29.406 0.509 18250 9457 1 10 . 1 1 144 144 GLU H H 144 7.646 7.646 7.945 -0.299 18250 9458 1 10 . 1 1 145 145 ASN N N 145 116.904 116.904 115.101 1.803 18250 9459 1 10 . 1 1 145 145 ASN HA H 145 4.454 4.454 4.576 -0.122 18250 9460 1 10 . 1 1 145 145 ASN C C 145 173.890 173.890 175.169 -1.279 18250 9461 1 10 . 1 1 145 145 ASN CA C 145 53.652 53.652 52.932 0.720 18250 9462 1 10 . 1 1 145 145 ASN CB C 145 38.204 38.204 38.864 -0.660 18250 9463 1 10 . 1 1 145 145 ASN H H 145 7.195 7.195 7.390 -0.195 18250 9464 1 10 . 1 1 146 146 GLY N N 146 105.175 105.175 106.770 -1.595 18250 9465 1 10 . 1 1 146 146 GLY C C 146 175.977 175.977 174.024 1.953 18250 9466 1 10 . 1 1 146 146 GLY CA C 146 45.723 45.723 44.925 0.798 18250 9467 1 10 . 1 1 146 146 GLY H H 146 7.438 7.438 7.870 -0.432 18250 9468 1 10 . 1 1 147 147 GLY N N 147 108.769 108.769 108.425 0.344 18250 9469 1 10 . 1 1 147 147 GLY C C 147 173.367 173.367 175.201 -1.834 18250 9470 1 10 . 1 1 147 147 GLY CA C 147 44.532 44.532 44.464 0.068 18250 9471 1 10 . 1 1 147 147 GLY H H 147 8.580 8.580 7.730 0.850 18250 9472 1 10 . 1 1 148 148 TRP N N 148 118.433 118.433 122.583 -4.150 18250 9473 1 10 . 1 1 148 148 TRP HA H 148 4.431 4.431 4.413 0.018 18250 9474 1 10 . 1 1 148 148 TRP C C 148 178.434 178.434 177.607 0.827 18250 9475 1 10 . 1 1 148 148 TRP CA C 148 60.558 60.558 60.192 0.366 18250 9476 1 10 . 1 1 148 148 TRP CB C 148 29.872 29.872 29.677 0.195 18250 9477 1 10 . 1 1 148 148 TRP H H 148 8.715 8.715 8.633 0.082 18250 9478 1 10 . 1 1 149 149 ASP N N 149 118.214 118.214 118.914 -0.700 18250 9479 1 10 . 1 1 149 149 ASP HA H 149 4.446 4.446 4.374 0.072 18250 9480 1 10 . 1 1 149 149 ASP C C 149 179.629 179.629 178.185 1.444 18250 9481 1 10 . 1 1 149 149 ASP CA C 149 57.850 57.850 57.354 0.496 18250 9482 1 10 . 1 1 149 149 ASP CB C 149 40.379 40.379 40.557 -0.178 18250 9483 1 10 . 1 1 149 149 ASP H H 149 8.897 8.897 8.378 0.519 18250 9484 1 10 . 1 1 150 150 THR N N 150 117.183 117.183 115.655 1.528 18250 9485 1 10 . 1 1 150 150 THR HA H 150 4.010 4.010 4.032 -0.022 18250 9486 1 10 . 1 1 150 150 THR C C 150 175.220 175.220 175.872 -0.652 18250 9487 1 10 . 1 1 150 150 THR CA C 150 66.376 66.376 65.429 0.947 18250 9488 1 10 . 1 1 150 150 THR CB C 150 68.344 68.344 68.961 -0.617 18250 9489 1 10 . 1 1 150 150 THR H H 150 7.632 7.632 7.528 0.104 18250 9490 1 10 . 1 1 151 151 PHE N N 151 122.603 122.603 122.233 0.370 18250 9491 1 10 . 1 1 151 151 PHE HA H 151 4.423 4.423 3.626 0.797 18250 9492 1 10 . 1 1 151 151 PHE C C 151 176.703 176.703 176.074 0.629 18250 9493 1 10 . 1 1 151 151 PHE CA C 151 61.847 61.847 59.985 1.862 18250 9494 1 10 . 1 1 151 151 PHE CB C 151 37.952 37.952 38.847 -0.895 18250 9495 1 10 . 1 1 151 151 PHE H H 151 6.638 6.638 7.113 -0.475 18250 9496 1 10 . 1 1 152 152 VAL N N 152 117.675 117.675 118.150 -0.475 18250 9497 1 10 . 1 1 152 152 VAL HA H 152 3.065 3.065 3.383 -0.318 18250 9498 1 10 . 1 1 152 152 VAL C C 152 178.313 178.313 177.057 1.256 18250 9499 1 10 . 1 1 152 152 VAL CA C 152 66.780 66.780 65.965 0.815 18250 9500 1 10 . 1 1 152 152 VAL CB C 152 31.889 31.889 31.279 0.610 18250 9501 1 10 . 1 1 152 152 VAL H H 152 7.840 7.840 8.596 -0.756 18250 9502 1 10 . 1 1 153 153 GLU N N 153 120.159 120.159 119.295 0.864 18250 9503 1 10 . 1 1 153 153 GLU HA H 153 3.925 3.925 3.955 -0.030 18250 9504 1 10 . 1 1 153 153 GLU C C 153 178.157 178.157 177.691 0.466 18250 9505 1 10 . 1 1 153 153 GLU CA C 153 59.292 59.292 58.791 0.501 18250 9506 1 10 . 1 1 153 153 GLU CB C 153 29.569 29.569 29.541 0.028 18250 9507 1 10 . 1 1 153 153 GLU H H 153 7.484 7.484 7.463 0.021 18250 9508 1 10 . 1 1 154 154 LEU N N 154 117.518 117.518 117.491 0.027 18250 9509 1 10 . 1 1 154 154 LEU HA H 154 4.054 4.054 3.893 0.161 18250 9510 1 10 . 1 1 154 154 LEU C C 154 178.563 178.563 178.311 0.252 18250 9511 1 10 . 1 1 154 154 LEU CA C 154 56.844 56.844 56.776 0.068 18250 9512 1 10 . 1 1 154 154 LEU CB C 154 43.739 43.739 42.191 1.548 18250 9513 1 10 . 1 1 154 154 LEU H H 154 7.701 7.701 7.169 0.532 18250 9514 1 10 . 1 1 155 155 TYR N N 155 116.466 116.466 114.119 2.347 18250 9515 1 10 . 1 1 155 155 TYR HA H 155 4.227 4.227 4.589 -0.362 18250 9516 1 10 . 1 1 155 155 TYR C C 155 176.835 176.835 175.711 1.124 18250 9517 1 10 . 1 1 155 155 TYR CA C 155 59.639 59.639 56.997 2.642 18250 9518 1 10 . 1 1 155 155 TYR CB C 155 38.891 38.891 38.183 0.708 18250 9519 1 10 . 1 1 155 155 TYR H H 155 8.210 8.210 7.304 0.906 18250 9520 1 10 . 1 1 156 156 GLY N N 156 108.677 108.677 108.257 0.420 18250 9521 1 10 . 1 1 156 156 GLY C C 156 173.893 173.893 174.469 -0.576 18250 9522 1 10 . 1 1 156 156 GLY CA C 156 45.627 45.627 43.484 2.143 18250 9523 1 10 . 1 1 156 156 GLY H H 156 8.125 8.125 7.152 0.973 18250 9524 1 10 . 1 1 157 157 ASN N N 157 118.537 118.537 119.184 -0.647 18250 9525 1 10 . 1 1 157 157 ASN HA H 157 4.640 4.640 4.438 0.202 18250 9526 1 10 . 1 1 157 157 ASN C C 157 175.436 175.436 177.098 -1.662 18250 9527 1 10 . 1 1 157 157 ASN CA C 157 53.482 53.482 55.473 -1.991 18250 9528 1 10 . 1 1 157 157 ASN CB C 157 38.726 38.726 38.593 0.133 18250 9529 1 10 . 1 1 157 157 ASN H H 157 8.429 8.429 8.689 -0.260 18250 9530 1 10 . 1 1 158 158 ASN N N 158 119.251 119.251 117.763 1.488 18250 9531 1 10 . 1 1 158 158 ASN HA H 158 4.634 4.634 4.380 0.254 18250 9532 1 10 . 1 1 158 158 ASN C C 158 175.574 175.574 176.348 -0.774 18250 9533 1 10 . 1 1 158 158 ASN CA C 158 53.845 53.845 56.093 -2.248 18250 9534 1 10 . 1 1 158 158 ASN CB C 158 38.841 38.841 38.241 0.600 18250 9535 1 10 . 1 1 158 158 ASN H H 158 8.444 8.444 8.553 -0.109 18250 9536 1 10 . 1 1 159 159 ALA N N 159 123.557 123.557 121.562 1.995 18250 9537 1 10 . 1 1 159 159 ALA HA H 159 4.185 4.185 4.126 0.059 18250 9538 1 10 . 1 1 159 159 ALA C C 159 178.451 178.451 179.664 -1.213 18250 9539 1 10 . 1 1 159 159 ALA CA C 159 53.732 53.732 54.493 -0.761 18250 9540 1 10 . 1 1 159 159 ALA CB C 159 18.793 18.793 18.404 0.389 18250 9541 1 10 . 1 1 159 159 ALA H H 159 8.216 8.216 7.391 0.825 18250 9542 1 10 . 1 1 160 160 ALA N N 160 121.918 121.918 121.415 0.503 18250 9543 1 10 . 1 1 160 160 ALA HA H 160 4.236 4.236 4.081 0.155 18250 9544 1 10 . 1 1 160 160 ALA C C 160 178.493 178.493 179.308 -0.815 18250 9545 1 10 . 1 1 160 160 ALA CA C 160 53.131 53.131 54.054 -0.923 18250 9546 1 10 . 1 1 160 160 ALA CB C 160 18.623 18.623 18.691 -0.068 18250 9547 1 10 . 1 1 160 160 ALA H H 160 8.159 8.159 7.549 0.610 18250 9548 1 10 . 1 1 161 161 ALA N N 161 122.552 122.552 120.156 2.396 18250 9549 1 10 . 1 1 161 161 ALA HA H 161 4.160 4.160 4.034 0.126 18250 9550 1 10 . 1 1 161 161 ALA C C 161 178.993 178.993 179.452 -0.459 18250 9551 1 10 . 1 1 161 161 ALA CA C 161 53.807 53.807 54.375 -0.568 18250 9552 1 10 . 1 1 161 161 ALA CB C 161 18.845 18.845 18.218 0.627 18250 9553 1 10 . 1 1 161 161 ALA H H 161 8.054 8.054 8.515 -0.461 18250 9554 1 10 . 1 1 162 162 GLU N N 162 118.709 118.709 117.695 1.014 18250 9555 1 10 . 1 1 162 162 GLU HA H 162 4.175 4.175 4.198 -0.023 18250 9556 1 10 . 1 1 162 162 GLU C C 162 177.630 177.630 177.891 -0.261 18250 9557 1 10 . 1 1 162 162 GLU CA C 162 57.788 57.788 58.095 -0.307 18250 9558 1 10 . 1 1 162 162 GLU CB C 162 29.767 29.767 29.110 0.657 18250 9559 1 10 . 1 1 162 162 GLU H H 162 8.330 8.330 7.795 0.535 18250 9560 1 10 . 1 1 163 163 SER N N 163 115.336 115.336 114.223 1.113 18250 9561 1 10 . 1 1 163 163 SER HA H 163 4.378 4.378 4.622 -0.244 18250 9562 1 10 . 1 1 163 163 SER C C 163 175.241 175.241 175.283 -0.042 18250 9563 1 10 . 1 1 163 163 SER CA C 163 59.419 59.419 59.002 0.417 18250 9564 1 10 . 1 1 163 163 SER CB C 163 63.456 63.456 63.446 0.010 18250 9565 1 10 . 1 1 163 163 SER H H 163 8.122 8.122 8.069 0.053 18250 9566 1 10 . 1 1 164 164 ARG N N 164 121.905 121.905 121.482 0.423 18250 9567 1 10 . 1 1 164 164 ARG HA H 164 4.328 4.328 4.044 0.284 18250 9568 1 10 . 1 1 164 164 ARG C C 164 176.812 176.812 177.847 -1.035 18250 9569 1 10 . 1 1 164 164 ARG CA C 164 56.772 56.772 60.120 -3.348 18250 9570 1 10 . 1 1 164 164 ARG CB C 164 30.508 30.508 30.248 0.260 18250 9571 1 10 . 1 1 164 164 ARG H H 164 8.054 8.054 7.558 0.496 18250 9572 1 10 . 1 1 165 165 LYS N N 165 121.165 121.165 119.119 2.046 18250 9573 1 10 . 1 1 165 165 LYS HA H 165 4.247 4.247 4.109 0.138 18250 9574 1 10 . 1 1 165 165 LYS C C 165 177.580 177.580 178.622 -1.042 18250 9575 1 10 . 1 1 165 165 LYS CA C 165 57.272 57.272 58.916 -1.644 18250 9576 1 10 . 1 1 165 165 LYS CB C 165 32.845 32.845 31.522 1.323 18250 9577 1 10 . 1 1 165 165 LYS H H 165 8.111 8.111 8.124 -0.013 18250 9578 1 10 . 1 1 166 166 GLY N N 166 109.466 109.466 107.765 1.701 18250 9579 1 10 . 1 1 166 166 GLY C C 166 174.696 174.696 176.124 -1.428 18250 9580 1 10 . 1 1 166 166 GLY CA C 166 45.691 45.691 46.516 -0.825 18250 9581 1 10 . 1 1 166 166 GLY H H 166 8.444 8.444 8.245 0.199 18250 9582 1 10 . 1 1 167 167 GLN N N 167 119.704 119.704 122.274 -2.570 18250 9583 1 10 . 1 1 167 167 GLN HA H 167 4.342 4.342 3.997 0.345 18250 9584 1 10 . 1 1 167 167 GLN C C 167 176.093 176.093 177.686 -1.593 18250 9585 1 10 . 1 1 167 167 GLN CA C 167 56.161 56.161 58.823 -2.662 18250 9586 1 10 . 1 1 167 167 GLN CB C 167 29.403 29.403 28.209 1.194 18250 9587 1 10 . 1 1 167 167 GLN H H 167 8.143 8.143 8.207 -0.064 18250 9588 1 10 . 1 1 168 168 GLU N N 168 121.765 121.765 118.960 2.805 18250 9589 1 10 . 1 1 168 168 GLU HA H 168 4.224 4.224 4.027 0.197 18250 9590 1 10 . 1 1 168 168 GLU C C 168 176.750 176.750 179.257 -2.507 18250 9591 1 10 . 1 1 168 168 GLU CA C 168 57.344 57.344 59.232 -1.888 18250 9592 1 10 . 1 1 168 168 GLU CB C 168 29.990 29.990 29.558 0.432 18250 9593 1 10 . 1 1 168 168 GLU H H 168 8.526 8.526 8.173 0.353 18250 9594 1 10 . 1 1 169 169 ARG N N 169 121.114 121.114 118.450 2.664 18250 9595 1 10 . 1 1 169 169 ARG HA H 169 4.291 4.291 4.119 0.172 18250 9596 1 10 . 1 1 169 169 ARG C C 169 177.587 177.587 178.713 -1.126 18250 9597 1 10 . 1 1 169 169 ARG CA C 169 56.338 56.338 58.770 -2.432 18250 9598 1 10 . 1 1 169 169 ARG CB C 169 30.516 30.516 30.183 0.333 18250 9599 1 10 . 1 1 169 169 ARG H H 169 8.284 8.284 7.356 0.928 18250 9600 1 10 . 1 1 170 170 LEU N N 170 122.853 122.853 120.191 2.662 18250 9601 1 10 . 1 1 170 170 LEU HA H 170 4.399 4.399 4.117 0.282 18250 9602 1 10 . 1 1 170 170 LEU C C 170 177.364 177.364 178.057 -0.693 18250 9603 1 10 . 1 1 170 170 LEU CA C 170 55.290 55.290 57.517 -2.227 18250 9604 1 10 . 1 1 170 170 LEU CB C 170 42.424 42.424 41.966 0.458 18250 9605 1 10 . 1 1 170 170 LEU H H 170 8.181 8.181 8.245 -0.064 18250 9606 1 10 . 1 1 171 171 GLU N N 171 120.823 120.823 114.944 5.879 18250 9607 1 10 . 1 1 171 171 GLU C C 171 176.255 176.255 176.567 -0.312 18250 9608 1 10 . 1 1 171 171 GLU CA C 171 56.725 56.725 57.109 -0.384 18250 9609 1 10 . 1 1 171 171 GLU CB C 171 30.289 30.289 29.873 0.416 18250 9610 1 10 . 1 1 171 171 GLU H H 171 8.352 8.352 8.142 0.210 18250 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 161 2.723 0.118 2.729 18250 2 1 1 "Average Difference" HA 178 0.288 -0.029 0.287 18250 3 1 1 "Average Difference" C 163 1.020 0.075 1.021 18250 4 1 1 "Average Difference" CA 167 1.239 -0.033 1.242 18250 5 1 1 "Average Difference" CB 155 0.777 -0.247 0.740 18250 6 1 1 "Average Difference" HN 161 0.501 -0.134 0.484 18250 7 1 2 "Average Difference" N 161 2.512 0.191 2.513 18250 8 1 2 "Average Difference" HA 178 0.282 -0.028 0.281 18250 9 1 2 "Average Difference" C 163 0.944 0.134 0.937 18250 10 1 2 "Average Difference" CA 167 1.168 -0.038 1.171 18250 11 1 2 "Average Difference" CB 155 0.855 -0.341 0.787 18250 12 1 2 "Average Difference" HN 161 0.442 -0.104 0.431 18250 13 1 3 "Average Difference" N 161 2.831 0.124 2.837 18250 14 1 3 "Average Difference" HA 178 0.280 -0.017 0.280 18250 15 1 3 "Average Difference" C 163 1.011 0.030 1.014 18250 16 1 3 "Average Difference" CA 167 1.235 -0.044 1.238 18250 17 1 3 "Average Difference" CB 155 0.829 -0.266 0.787 18250 18 1 3 "Average Difference" HN 161 0.453 -0.119 0.438 18250 19 1 4 "Average Difference" N 161 2.804 0.024 2.813 18250 20 1 4 "Average Difference" HA 178 0.298 -0.034 0.297 18250 21 1 4 "Average Difference" C 163 0.987 0.090 0.986 18250 22 1 4 "Average Difference" CA 167 1.257 -0.027 1.260 18250 23 1 4 "Average Difference" CB 155 0.834 -0.299 0.781 18250 24 1 4 "Average Difference" HN 161 0.486 -0.137 0.468 18250 25 1 5 "Average Difference" N 161 2.615 0.008 2.623 18250 26 1 5 "Average Difference" HA 178 0.280 -0.023 0.280 18250 27 1 5 "Average Difference" C 163 0.998 0.109 0.995 18250 28 1 5 "Average Difference" CA 167 1.218 -0.024 1.222 18250 29 1 5 "Average Difference" CB 155 0.871 -0.293 0.823 18250 30 1 5 "Average Difference" HN 161 0.483 -0.133 0.465 18250 31 1 6 "Average Difference" N 161 2.644 0.217 2.643 18250 32 1 6 "Average Difference" HA 178 0.297 -0.044 0.295 18250 33 1 6 "Average Difference" C 163 1.017 0.093 1.016 18250 34 1 6 "Average Difference" CA 167 1.218 -0.006 1.222 18250 35 1 6 "Average Difference" CB 155 0.869 -0.334 0.804 18250 36 1 6 "Average Difference" HN 161 0.474 -0.129 0.458 18250 37 1 7 "Average Difference" N 161 2.801 0.167 2.804 18250 38 1 7 "Average Difference" HA 178 0.295 -0.027 0.294 18250 39 1 7 "Average Difference" C 163 0.998 0.124 0.993 18250 40 1 7 "Average Difference" CA 167 1.200 -0.037 1.203 18250 41 1 7 "Average Difference" CB 155 0.867 -0.286 0.821 18250 42 1 7 "Average Difference" HN 161 0.483 -0.145 0.462 18250 43 1 8 "Average Difference" N 161 2.560 0.065 2.567 18250 44 1 8 "Average Difference" HA 178 0.303 -0.009 0.304 18250 45 1 8 "Average Difference" C 163 0.958 0.078 0.958 18250 46 1 8 "Average Difference" CA 167 1.156 -0.134 1.152 18250 47 1 8 "Average Difference" CB 155 0.805 -0.253 0.767 18250 48 1 8 "Average Difference" HN 161 0.493 -0.145 0.473 18250 49 1 9 "Average Difference" N 161 2.576 -0.008 2.584 18250 50 1 9 "Average Difference" HA 178 0.283 -0.020 0.283 18250 51 1 9 "Average Difference" C 163 0.964 0.013 0.967 18250 52 1 9 "Average Difference" CA 167 1.206 -0.100 1.206 18250 53 1 9 "Average Difference" CB 155 0.829 -0.265 0.788 18250 54 1 9 "Average Difference" HN 161 0.497 -0.146 0.477 18250 55 1 10 "Average Difference" N 161 2.774 0.167 2.778 18250 56 1 10 "Average Difference" HA 178 0.282 -0.034 0.281 18250 57 1 10 "Average Difference" C 163 1.008 0.076 1.009 18250 58 1 10 "Average Difference" CA 167 1.292 -0.032 1.296 18250 59 1 10 "Average Difference" CB 155 0.828 -0.281 0.781 18250 60 1 10 "Average Difference" HN 161 0.465 -0.106 0.454 18250 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 18250 _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 SER N N 2 122.263 122.263 116.512 5.751 18250 2 1 . 1 1 2 2 SER HA H 2 4.270 4.270 4.565 -0.295 18250 3 1 . 1 1 2 2 SER CA C 2 59.961 59.961 60.358 -0.397 18250 4 1 . 1 1 2 2 SER CB C 2 64.958 64.958 63.106 1.852 18250 5 1 . 1 1 2 2 SER H H 2 7.955 7.955 8.545 -0.590 18250 6 1 . 1 1 3 3 GLN HA H 3 4.387 4.387 4.216 0.171 18250 7 1 . 1 1 3 3 GLN C C 3 179.078 179.078 177.877 1.201 18250 8 1 . 1 1 3 3 GLN CA C 3 56.616 56.616 58.737 -2.121 18250 9 1 . 1 1 3 3 GLN CB C 3 29.224 29.224 28.470 0.754 18250 10 1 . 1 1 4 4 SER N N 4 117.102 117.102 114.257 2.845 18250 11 1 . 1 1 4 4 SER HA H 4 4.465 4.465 4.415 0.050 18250 12 1 . 1 1 4 4 SER C C 4 175.930 175.930 176.280 -0.350 18250 13 1 . 1 1 4 4 SER CA C 4 58.994 58.994 60.801 -1.807 18250 14 1 . 1 1 4 4 SER CB C 4 63.490 63.490 62.660 0.830 18250 15 1 . 1 1 4 4 SER H H 4 8.647 8.647 8.324 0.323 18250 16 1 . 1 1 5 5 ASN N N 5 122.476 122.476 120.855 1.621 18250 17 1 . 1 1 5 5 ASN HA H 5 4.744 4.744 4.635 0.109 18250 18 1 . 1 1 5 5 ASN C C 5 177.378 177.378 177.463 -0.084 18250 19 1 . 1 1 5 5 ASN CA C 5 56.150 56.150 55.955 0.195 18250 20 1 . 1 1 5 5 ASN CB C 5 38.363 38.363 38.347 0.016 18250 21 1 . 1 1 5 5 ASN H H 5 8.603 8.603 8.277 0.326 18250 22 1 . 1 1 6 6 ARG N N 6 120.024 120.024 120.882 -0.858 18250 23 1 . 1 1 6 6 ARG HA H 6 3.927 3.927 4.086 -0.159 18250 24 1 . 1 1 6 6 ARG C C 6 177.331 177.331 177.855 -0.524 18250 25 1 . 1 1 6 6 ARG CA C 6 59.861 59.861 59.463 0.397 18250 26 1 . 1 1 6 6 ARG CB C 6 29.756 29.756 30.235 -0.479 18250 27 1 . 1 1 6 6 ARG H H 6 8.252 8.252 7.957 0.295 18250 28 1 . 1 1 7 7 GLU N N 7 117.799 117.799 119.826 -2.027 18250 29 1 . 1 1 7 7 GLU HA H 7 3.907 3.907 4.044 -0.137 18250 30 1 . 1 1 7 7 GLU C C 7 179.388 179.388 179.177 0.211 18250 31 1 . 1 1 7 7 GLU CA C 7 59.380 59.380 59.371 0.009 18250 32 1 . 1 1 7 7 GLU CB C 7 29.624 29.624 29.185 0.439 18250 33 1 . 1 1 7 7 GLU H H 7 7.953 7.953 7.876 0.077 18250 34 1 . 1 1 8 8 LEU N N 8 119.794 119.794 118.569 1.225 18250 35 1 . 1 1 8 8 LEU HA H 8 3.875 3.875 4.077 -0.202 18250 36 1 . 1 1 8 8 LEU C C 8 178.368 178.368 178.939 -0.571 18250 37 1 . 1 1 8 8 LEU CA C 8 58.116 58.116 57.418 0.698 18250 38 1 . 1 1 8 8 LEU CB C 8 41.926 41.926 41.675 0.251 18250 39 1 . 1 1 8 8 LEU H H 8 7.726 7.726 7.600 0.126 18250 40 1 . 1 1 9 9 VAL N N 9 117.818 117.818 118.308 -0.490 18250 41 1 . 1 1 9 9 VAL HA H 9 3.678 3.678 3.588 0.090 18250 42 1 . 1 1 9 9 VAL C C 9 177.085 177.085 177.800 -0.715 18250 43 1 . 1 1 9 9 VAL CA C 9 67.766 67.766 65.655 2.111 18250 44 1 . 1 1 9 9 VAL CB C 9 32.429 32.429 31.544 0.886 18250 45 1 . 1 1 9 9 VAL H H 9 7.765 7.765 7.240 0.525 18250 46 1 . 1 1 10 10 VAL N N 10 117.317 117.317 120.761 -3.444 18250 47 1 . 1 1 10 10 VAL HA H 10 2.926 2.926 3.193 -0.267 18250 48 1 . 1 1 10 10 VAL C C 10 178.588 178.588 177.650 0.938 18250 49 1 . 1 1 10 10 VAL CA C 10 67.029 67.029 67.212 -0.183 18250 50 1 . 1 1 10 10 VAL CB C 10 31.401 31.401 31.013 0.388 18250 51 1 . 1 1 10 10 VAL H H 10 8.333 8.333 8.501 -0.168 18250 52 1 . 1 1 11 11 ASP N N 11 120.859 120.859 118.972 1.887 18250 53 1 . 1 1 11 11 ASP HA H 11 4.083 4.083 4.247 -0.164 18250 54 1 . 1 1 11 11 ASP C C 11 177.495 177.495 178.444 -0.949 18250 55 1 . 1 1 11 11 ASP CA C 11 58.947 58.947 57.096 1.851 18250 56 1 . 1 1 11 11 ASP CB C 11 43.345 43.345 40.887 2.458 18250 57 1 . 1 1 11 11 ASP H H 11 8.070 8.070 8.238 -0.168 18250 58 1 . 1 1 12 12 PHE N N 12 120.293 120.293 120.303 -0.010 18250 59 1 . 1 1 12 12 PHE HA H 12 3.953 3.953 4.257 -0.304 18250 60 1 . 1 1 12 12 PHE C C 12 178.083 178.083 176.951 1.131 18250 61 1 . 1 1 12 12 PHE CA C 12 63.221 63.221 61.158 2.063 18250 62 1 . 1 1 12 12 PHE CB C 12 40.134 40.134 39.656 0.478 18250 63 1 . 1 1 12 12 PHE H H 12 8.327 8.327 7.413 0.914 18250 64 1 . 1 1 13 13 LEU N N 13 116.845 116.845 119.934 -3.089 18250 65 1 . 1 1 13 13 LEU HA H 13 3.990 3.990 3.933 0.057 18250 66 1 . 1 1 13 13 LEU C C 13 179.454 179.454 179.007 0.447 18250 67 1 . 1 1 13 13 LEU CA C 13 58.291 58.291 57.894 0.397 18250 68 1 . 1 1 13 13 LEU CB C 13 41.739 41.739 41.341 0.398 18250 69 1 . 1 1 13 13 LEU H H 13 8.907 8.907 8.674 0.233 18250 70 1 . 1 1 14 14 SER N N 14 114.306 114.306 114.731 -0.425 18250 71 1 . 1 1 14 14 SER HA H 14 4.257 4.257 4.129 0.128 18250 72 1 . 1 1 14 14 SER C C 14 177.281 177.281 176.619 0.662 18250 73 1 . 1 1 14 14 SER CA C 14 62.641 62.641 61.532 1.109 18250 74 1 . 1 1 14 14 SER CB C 14 62.594 62.594 62.870 -0.276 18250 75 1 . 1 1 14 14 SER H H 14 8.503 8.503 8.328 0.175 18250 76 1 . 1 1 15 15 TYR N N 15 124.988 124.988 122.885 2.103 18250 77 1 . 1 1 15 15 TYR HA H 15 4.388 4.388 4.184 0.204 18250 78 1 . 1 1 15 15 TYR C C 15 178.247 178.247 177.274 0.973 18250 79 1 . 1 1 15 15 TYR CA C 15 60.311 60.311 61.568 -1.257 18250 80 1 . 1 1 15 15 TYR CB C 15 37.990 37.990 38.270 -0.280 18250 81 1 . 1 1 15 15 TYR H H 15 8.252 8.252 7.792 0.460 18250 82 1 . 1 1 16 16 LYS N N 16 120.256 120.256 119.047 1.209 18250 83 1 . 1 1 16 16 LYS HA H 16 3.829 3.829 3.943 -0.114 18250 84 1 . 1 1 16 16 LYS C C 16 180.272 180.272 179.007 1.265 18250 85 1 . 1 1 16 16 LYS CA C 16 57.063 57.063 58.201 -1.138 18250 86 1 . 1 1 16 16 LYS CB C 16 29.849 29.849 32.143 -2.294 18250 87 1 . 1 1 16 16 LYS H H 16 8.331 8.331 7.512 0.819 18250 88 1 . 1 1 17 17 LEU N N 17 118.564 118.564 120.307 -1.743 18250 89 1 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.092 -0.017 18250 90 1 . 1 1 17 17 LEU C C 17 179.917 179.917 178.836 1.081 18250 91 1 . 1 1 17 17 LEU CA C 17 58.693 58.693 58.431 0.262 18250 92 1 . 1 1 17 17 LEU CB C 17 41.178 41.178 41.834 -0.656 18250 93 1 . 1 1 17 17 LEU H H 17 8.726 8.726 8.571 0.155 18250 94 1 . 1 1 18 18 SER N N 18 117.861 117.861 114.421 3.440 18250 95 1 . 1 1 18 18 SER HA H 18 4.696 4.696 4.409 0.287 18250 96 1 . 1 1 18 18 SER C C 18 178.612 178.612 176.575 2.037 18250 97 1 . 1 1 18 18 SER CA C 18 61.783 61.783 61.092 0.691 18250 98 1 . 1 1 18 18 SER CB C 18 62.613 62.613 63.048 -0.435 18250 99 1 . 1 1 18 18 SER H H 18 8.394 8.394 8.392 0.002 18250 100 1 . 1 1 19 19 GLN N N 19 122.899 122.899 120.229 2.670 18250 101 1 . 1 1 19 19 GLN HA H 19 4.017 4.017 4.031 -0.014 18250 102 1 . 1 1 19 19 GLN C C 19 177.237 177.237 177.142 0.095 18250 103 1 . 1 1 19 19 GLN CA C 19 58.536 58.536 57.993 0.543 18250 104 1 . 1 1 19 19 GLN CB C 19 28.795 28.795 28.556 0.239 18250 105 1 . 1 1 19 19 GLN H H 19 7.691 7.691 7.386 0.305 18250 106 1 . 1 1 20 20 LYS N N 20 116.425 116.425 116.751 -0.326 18250 107 1 . 1 1 20 20 LYS HA H 20 4.425 4.425 4.220 0.205 18250 108 1 . 1 1 20 20 LYS C C 20 175.581 175.581 176.079 -0.498 18250 109 1 . 1 1 20 20 LYS CA C 20 54.032 54.032 55.608 -1.576 18250 110 1 . 1 1 20 20 LYS CB C 20 32.659 32.659 32.283 0.376 18250 111 1 . 1 1 20 20 LYS H H 20 7.268 7.268 7.494 -0.226 18250 112 1 . 1 1 21 21 GLY N N 21 105.593 105.593 106.765 -1.172 18250 113 1 . 1 1 21 21 GLY C C 21 174.012 174.012 174.173 -0.161 18250 114 1 . 1 1 21 21 GLY CA C 21 45.316 45.316 45.212 0.104 18250 115 1 . 1 1 21 21 GLY H H 21 7.620 7.620 7.477 0.143 18250 116 1 . 1 1 22 22 TYR N N 22 119.884 119.884 119.600 0.284 18250 117 1 . 1 1 22 22 TYR HA H 22 5.047 5.047 4.859 0.188 18250 118 1 . 1 1 22 22 TYR C C 22 175.024 175.024 174.769 0.255 18250 119 1 . 1 1 22 22 TYR CA C 22 55.645 55.645 55.603 0.042 18250 120 1 . 1 1 22 22 TYR CB C 22 40.969 40.969 40.522 0.447 18250 121 1 . 1 1 22 22 TYR H H 22 7.892 7.892 8.140 -0.248 18250 122 1 . 1 1 23 23 SER N N 23 115.410 115.410 117.330 -1.920 18250 123 1 . 1 1 23 23 SER HA H 23 4.863 4.863 4.766 0.097 18250 124 1 . 1 1 23 23 SER C C 23 174.483 174.483 175.058 -0.574 18250 125 1 . 1 1 23 23 SER CA C 23 56.776 56.776 56.586 0.191 18250 126 1 . 1 1 23 23 SER CB C 23 64.778 64.778 63.951 0.827 18250 127 1 . 1 1 23 23 SER H H 23 8.561 8.561 8.707 -0.146 18250 128 1 . 1 1 24 24 TRP N N 24 127.533 127.533 129.008 -1.475 18250 129 1 . 1 1 24 24 TRP HA H 24 4.346 4.346 4.570 -0.224 18250 130 1 . 1 1 24 24 TRP C C 24 176.876 176.876 176.486 0.390 18250 131 1 . 1 1 24 24 TRP CA C 24 60.051 60.051 60.461 -0.410 18250 132 1 . 1 1 24 24 TRP CB C 24 30.824 30.824 29.760 1.064 18250 133 1 . 1 1 24 24 TRP H H 24 9.026 9.026 9.207 -0.181 18250 134 1 . 1 1 25 25 SER N N 25 112.236 112.236 113.106 -0.870 18250 135 1 . 1 1 25 25 SER HA H 25 4.104 4.104 4.019 0.085 18250 136 1 . 1 1 25 25 SER C C 25 175.164 175.164 175.635 -0.471 18250 137 1 . 1 1 25 25 SER CA C 25 60.033 60.033 60.793 -0.760 18250 138 1 . 1 1 25 25 SER CB C 25 62.931 62.931 62.367 0.564 18250 139 1 . 1 1 25 25 SER H H 25 8.236 8.236 8.186 0.050 18250 140 1 . 1 1 26 26 GLN N N 26 119.530 119.530 119.345 0.185 18250 141 1 . 1 1 26 26 GLN HA H 26 3.895 3.895 4.015 -0.120 18250 142 1 . 1 1 26 26 GLN C C 26 176.075 176.075 176.562 -0.487 18250 143 1 . 1 1 26 26 GLN CA C 26 56.959 56.959 57.119 -0.160 18250 144 1 . 1 1 26 26 GLN CB C 26 28.764 28.764 28.497 0.267 18250 145 1 . 1 1 26 26 GLN H H 26 7.467 7.467 7.221 0.246 18250 146 1 . 1 1 27 27 PHE N N 27 116.668 116.668 116.192 0.476 18250 147 1 . 1 1 27 27 PHE HA H 27 4.594 4.594 4.489 0.105 18250 148 1 . 1 1 27 27 PHE C C 27 175.107 175.107 175.447 -0.340 18250 149 1 . 1 1 27 27 PHE CA C 27 56.629 56.629 57.431 -0.802 18250 150 1 . 1 1 27 27 PHE CB C 27 39.909 39.909 39.514 0.395 18250 151 1 . 1 1 27 27 PHE H H 27 7.343 7.343 7.188 0.155 18250 152 1 . 1 1 28 28 SER N N 28 114.121 114.121 115.108 -0.987 18250 153 1 . 1 1 28 28 SER HA H 28 4.151 4.151 4.300 -0.149 18250 154 1 . 1 1 28 28 SER C C 28 173.703 173.703 173.706 -0.003 18250 155 1 . 1 1 28 28 SER CA C 28 57.662 57.662 57.076 0.586 18250 156 1 . 1 1 28 28 SER CB C 28 63.931 63.931 64.413 -0.482 18250 157 1 . 1 1 28 28 SER H H 28 7.336 7.336 7.272 0.064 18250 158 1 . 1 1 29 29 ASP N N 29 122.733 122.733 124.993 -2.260 18250 159 1 . 1 1 29 29 ASP HA H 29 4.601 4.601 4.649 -0.048 18250 160 1 . 1 1 29 29 ASP C C 29 176.320 176.320 176.104 0.216 18250 161 1 . 1 1 29 29 ASP CA C 29 54.194 54.194 54.449 -0.255 18250 162 1 . 1 1 29 29 ASP CB C 29 41.145 41.145 40.546 0.599 18250 163 1 . 1 1 29 29 ASP H H 29 8.370 8.370 8.577 -0.207 18250 164 1 . 1 1 30 30 VAL N N 30 119.197 119.197 123.419 -4.222 18250 165 1 . 1 1 30 30 VAL HA H 30 4.096 4.096 3.901 0.196 18250 166 1 . 1 1 30 30 VAL C C 30 176.232 176.232 177.197 -0.965 18250 167 1 . 1 1 30 30 VAL CA C 30 62.417 62.417 64.853 -2.436 18250 168 1 . 1 1 30 30 VAL CB C 30 33.024 33.024 32.653 0.371 18250 169 1 . 1 1 30 30 VAL H H 30 7.968 7.968 7.895 0.073 18250 170 1 . 1 1 31 31 GLU N N 31 124.470 124.470 118.014 6.456 18250 171 1 . 1 1 31 31 GLU HA H 31 4.260 4.260 4.149 0.111 18250 172 1 . 1 1 31 31 GLU C C 31 176.526 176.526 177.896 -1.369 18250 173 1 . 1 1 31 31 GLU CA C 31 56.706 56.706 58.471 -1.765 18250 174 1 . 1 1 31 31 GLU CB C 31 30.250 30.250 29.093 1.157 18250 175 1 . 1 1 31 31 GLU H H 31 8.502 8.502 8.584 -0.082 18250 176 1 . 1 1 32 32 GLU N N 32 122.145 122.145 118.556 3.589 18250 177 1 . 1 1 32 32 GLU HA H 32 4.233 4.233 4.222 0.011 18250 178 1 . 1 1 32 32 GLU C C 32 176.172 176.172 176.271 -0.099 18250 179 1 . 1 1 32 32 GLU CA C 32 56.732 56.732 57.362 -0.630 18250 180 1 . 1 1 32 32 GLU CB C 32 30.643 30.643 29.606 1.037 18250 181 1 . 1 1 32 32 GLU H H 32 8.426 8.426 8.413 0.013 18250 182 1 . 1 1 33 33 ASN N N 33 119.562 119.562 117.400 2.162 18250 183 1 . 1 1 33 33 ASN HA H 33 4.708 4.708 4.759 -0.051 18250 184 1 . 1 1 33 33 ASN C C 33 174.983 174.983 173.890 1.093 18250 185 1 . 1 1 33 33 ASN CA C 33 53.360 53.360 53.044 0.316 18250 186 1 . 1 1 33 33 ASN CB C 33 38.994 38.994 39.191 -0.197 18250 187 1 . 1 1 33 33 ASN H H 33 8.503 8.503 7.779 0.724 18250 188 1 . 1 1 34 34 ARG N N 34 122.040 122.040 123.861 -1.821 18250 189 1 . 1 1 34 34 ARG HA H 34 4.411 4.411 4.443 -0.032 18250 190 1 . 1 1 34 34 ARG C C 34 176.470 176.470 175.833 0.637 18250 191 1 . 1 1 34 34 ARG CA C 34 56.151 56.151 56.337 -0.186 18250 192 1 . 1 1 34 34 ARG CB C 34 30.891 30.891 29.687 1.203 18250 193 1 . 1 1 34 34 ARG H H 34 8.330 8.330 8.491 -0.161 18250 194 1 . 1 1 35 35 THR N N 35 115.850 115.850 117.933 -2.083 18250 195 1 . 1 1 35 35 THR HA H 35 4.329 4.329 4.473 -0.144 18250 196 1 . 1 1 35 35 THR C C 35 174.429 174.429 174.317 0.112 18250 197 1 . 1 1 35 35 THR CA C 35 62.079 62.079 61.636 0.443 18250 198 1 . 1 1 35 35 THR CB C 35 69.825 69.825 69.104 0.721 18250 199 1 . 1 1 35 35 THR H H 35 8.283 8.283 8.236 0.047 18250 200 1 . 1 1 36 36 GLU N N 36 123.074 123.074 127.169 -4.095 18250 201 1 . 1 1 36 36 GLU HA H 36 4.311 4.311 4.473 -0.162 18250 202 1 . 1 1 36 36 GLU C C 36 175.641 175.641 175.594 0.047 18250 203 1 . 1 1 36 36 GLU CA C 36 56.396 56.396 55.668 0.728 18250 204 1 . 1 1 36 36 GLU CB C 36 30.379 30.379 30.364 0.015 18250 205 1 . 1 1 36 36 GLU H H 36 8.402 8.402 8.529 -0.127 18250 206 1 . 1 1 37 37 ALA N N 37 126.190 126.190 128.437 -2.247 18250 207 1 . 1 1 37 37 ALA HA H 37 4.613 4.613 4.582 0.031 18250 208 1 . 1 1 37 37 ALA C C 37 175.419 175.419 175.858 -0.439 18250 209 1 . 1 1 37 37 ALA CA C 37 50.532 50.532 50.400 0.132 18250 210 1 . 1 1 37 37 ALA CB C 37 18.633 18.633 18.721 -0.089 18250 211 1 . 1 1 37 37 ALA H H 37 8.314 8.314 8.323 -0.009 18250 212 1 . 1 1 38 38 PRO HA H 38 4.427 4.427 4.532 -0.105 18250 213 1 . 1 1 38 38 PRO C C 38 177.029 177.029 176.179 0.850 18250 214 1 . 1 1 38 38 PRO CA C 38 63.216 63.216 62.080 1.137 18250 215 1 . 1 1 38 38 PRO CB C 38 32.134 32.134 32.536 -0.402 18250 216 1 . 1 1 39 39 GLU N N 39 121.295 121.295 121.010 0.284 18250 217 1 . 1 1 39 39 GLU HA H 39 4.301 4.301 4.315 -0.014 18250 218 1 . 1 1 39 39 GLU C C 39 177.079 177.079 176.942 0.137 18250 219 1 . 1 1 39 39 GLU CA C 39 56.836 56.836 56.405 0.431 18250 220 1 . 1 1 39 39 GLU CB C 39 30.441 30.441 29.313 1.128 18250 221 1 . 1 1 39 39 GLU H H 39 8.640 8.640 8.543 0.097 18250 222 1 . 1 1 40 40 GLY N N 40 110.317 110.317 114.089 -3.772 18250 223 1 . 1 1 40 40 GLY C C 40 174.602 174.602 174.819 -0.217 18250 224 1 . 1 1 40 40 GLY CA C 40 45.485 45.485 44.719 0.766 18250 225 1 . 1 1 40 40 GLY H H 40 8.521 8.521 8.539 -0.018 18250 226 1 . 1 1 41 41 THR N N 41 113.178 113.178 119.174 -5.996 18250 227 1 . 1 1 41 41 THR HA H 41 4.385 4.385 3.982 0.403 18250 228 1 . 1 1 41 41 THR C C 41 175.499 175.499 176.365 -0.866 18250 229 1 . 1 1 41 41 THR CA C 41 62.273 62.273 65.916 -3.643 18250 230 1 . 1 1 41 41 THR CB C 41 69.917 69.917 68.970 0.947 18250 231 1 . 1 1 41 41 THR H H 41 8.268 8.268 8.278 -0.010 18250 232 1 . 1 1 42 42 GLU N N 42 123.140 123.140 121.215 1.924 18250 233 1 . 1 1 42 42 GLU HA H 42 4.371 4.371 4.167 0.204 18250 234 1 . 1 1 42 42 GLU C C 42 177.161 177.161 178.134 -0.973 18250 235 1 . 1 1 42 42 GLU CA C 42 57.492 57.492 58.793 -1.301 18250 236 1 . 1 1 42 42 GLU CB C 42 29.924 29.924 28.945 0.979 18250 237 1 . 1 1 42 42 GLU H H 42 8.847 8.847 8.802 0.045 18250 238 1 . 1 1 43 43 SER N N 43 115.679 115.679 115.573 0.106 18250 239 1 . 1 1 43 43 SER HA H 43 4.430 4.430 3.996 0.434 18250 240 1 . 1 1 43 43 SER C C 43 175.673 175.673 176.335 -0.662 18250 241 1 . 1 1 43 43 SER CA C 43 58.925 58.925 61.527 -2.602 18250 242 1 . 1 1 43 43 SER CB C 43 63.710 63.710 62.738 0.972 18250 243 1 . 1 1 43 43 SER H H 43 8.510 8.510 8.497 0.013 18250 244 1 . 1 1 44 44 GLU N N 44 123.102 123.102 120.361 2.741 18250 245 1 . 1 1 44 44 GLU HA H 44 3.992 3.992 4.077 -0.085 18250 246 1 . 1 1 44 44 GLU C C 44 177.924 177.924 178.186 -0.262 18250 247 1 . 1 1 44 44 GLU CA C 44 59.074 59.074 58.570 0.504 18250 248 1 . 1 1 44 44 GLU CB C 44 29.413 29.413 29.366 0.047 18250 249 1 . 1 1 44 44 GLU H H 44 8.350 8.350 7.844 0.506 18250 250 1 . 1 1 45 45 ALA N N 45 120.958 120.958 122.564 -1.606 18250 251 1 . 1 1 45 45 ALA HA H 45 4.131 4.131 4.165 -0.034 18250 252 1 . 1 1 45 45 ALA C C 45 180.641 180.641 179.226 1.415 18250 253 1 . 1 1 45 45 ALA CA C 45 55.157 55.157 54.796 0.361 18250 254 1 . 1 1 45 45 ALA CB C 45 18.575 18.575 18.819 -0.244 18250 255 1 . 1 1 45 45 ALA H H 45 8.227 8.227 7.567 0.660 18250 256 1 . 1 1 46 46 VAL N N 46 118.867 118.867 119.581 -0.714 18250 257 1 . 1 1 46 46 VAL HA H 46 3.496 3.496 3.569 -0.073 18250 258 1 . 1 1 46 46 VAL C C 46 176.724 176.724 176.865 -0.141 18250 259 1 . 1 1 46 46 VAL CA C 46 66.189 66.189 65.462 0.727 18250 260 1 . 1 1 46 46 VAL CB C 46 31.811 31.811 31.089 0.722 18250 261 1 . 1 1 46 46 VAL H H 46 7.569 7.569 7.847 -0.278 18250 262 1 . 1 1 47 47 LYS N N 47 117.922 117.922 119.501 -1.579 18250 263 1 . 1 1 47 47 LYS HA H 47 3.719 3.719 3.789 -0.070 18250 264 1 . 1 1 47 47 LYS C C 47 178.888 178.888 178.589 0.299 18250 265 1 . 1 1 47 47 LYS CA C 47 59.801 59.801 59.815 -0.014 18250 266 1 . 1 1 47 47 LYS CB C 47 32.514 32.514 32.006 0.508 18250 267 1 . 1 1 47 47 LYS H H 47 7.437 7.437 8.103 -0.666 18250 268 1 . 1 1 48 48 GLN N N 48 116.490 116.490 118.427 -1.937 18250 269 1 . 1 1 48 48 GLN HA H 48 3.712 3.712 4.050 -0.338 18250 270 1 . 1 1 48 48 GLN C C 48 177.625 177.625 177.705 -0.080 18250 271 1 . 1 1 48 48 GLN CA C 48 59.027 59.027 58.333 0.694 18250 272 1 . 1 1 48 48 GLN CB C 48 28.103 28.103 28.350 -0.247 18250 273 1 . 1 1 48 48 GLN H H 48 8.168 8.168 7.423 0.745 18250 274 1 . 1 1 49 49 ALA N N 49 120.362 120.362 124.003 -3.641 18250 275 1 . 1 1 49 49 ALA HA H 49 4.227 4.227 3.898 0.329 18250 276 1 . 1 1 49 49 ALA C C 49 179.807 179.807 179.517 0.290 18250 277 1 . 1 1 49 49 ALA CA C 49 54.930 54.930 55.100 -0.170 18250 278 1 . 1 1 49 49 ALA CB C 49 18.708 18.708 18.235 0.473 18250 279 1 . 1 1 49 49 ALA H H 49 7.789 7.789 8.148 -0.359 18250 280 1 . 1 1 50 50 LEU N N 50 120.591 120.591 117.821 2.770 18250 281 1 . 1 1 50 50 LEU HA H 50 4.151 4.151 4.067 0.084 18250 282 1 . 1 1 50 50 LEU C C 50 179.225 179.225 179.168 0.057 18250 283 1 . 1 1 50 50 LEU CA C 50 58.581 58.581 57.206 1.375 18250 284 1 . 1 1 50 50 LEU CB C 50 42.279 42.279 40.174 2.105 18250 285 1 . 1 1 50 50 LEU H H 50 8.491 8.491 8.610 -0.119 18250 286 1 . 1 1 51 51 ARG N N 51 118.934 118.934 120.337 -1.403 18250 287 1 . 1 1 51 51 ARG HA H 51 3.772 3.772 4.008 -0.236 18250 288 1 . 1 1 51 51 ARG C C 51 178.618 178.618 178.698 -0.080 18250 289 1 . 1 1 51 51 ARG CA C 51 60.954 60.954 59.588 1.366 18250 290 1 . 1 1 51 51 ARG CB C 51 30.888 30.888 29.926 0.962 18250 291 1 . 1 1 51 51 ARG H H 51 8.170 8.170 7.671 0.499 18250 292 1 . 1 1 52 52 GLU N N 52 116.532 116.532 118.510 -1.978 18250 293 1 . 1 1 52 52 GLU HA H 52 4.156 4.156 4.148 0.008 18250 294 1 . 1 1 52 52 GLU C C 52 179.937 179.937 178.554 1.383 18250 295 1 . 1 1 52 52 GLU CA C 52 59.383 59.383 58.580 0.803 18250 296 1 . 1 1 52 52 GLU CB C 52 29.640 29.640 29.508 0.132 18250 297 1 . 1 1 52 52 GLU H H 52 7.914 7.914 7.887 0.027 18250 298 1 . 1 1 53 53 ALA N N 53 123.226 123.226 122.249 0.977 18250 299 1 . 1 1 53 53 ALA HA H 53 4.473 4.473 3.603 0.870 18250 300 1 . 1 1 53 53 ALA C C 53 181.683 181.683 179.506 2.177 18250 301 1 . 1 1 53 53 ALA CA C 53 55.114 55.114 54.690 0.424 18250 302 1 . 1 1 53 53 ALA CB C 53 19.476 19.476 18.088 1.388 18250 303 1 . 1 1 53 53 ALA H H 53 8.902 8.902 8.234 0.668 18250 304 1 . 1 1 54 54 GLY N N 54 108.711 108.711 105.748 2.963 18250 305 1 . 1 1 54 54 GLY C C 54 175.330 175.330 175.810 -0.480 18250 306 1 . 1 1 54 54 GLY CA C 54 47.111 47.111 47.091 0.020 18250 307 1 . 1 1 54 54 GLY H H 54 9.186 9.186 8.571 0.615 18250 308 1 . 1 1 55 55 ASP N N 55 122.891 122.891 121.194 1.697 18250 309 1 . 1 1 55 55 ASP C C 55 179.023 179.023 177.855 1.167 18250 310 1 . 1 1 55 55 ASP CA C 55 57.752 57.752 57.041 0.711 18250 311 1 . 1 1 55 55 ASP CB C 55 39.839 39.839 41.153 -1.314 18250 312 1 . 1 1 55 55 ASP H H 55 8.224 8.224 7.553 0.671 18250 313 1 . 1 1 56 56 GLU N N 56 120.753 120.753 120.579 0.174 18250 314 1 . 1 1 56 56 GLU HA H 56 4.180 4.180 4.106 0.073 18250 315 1 . 1 1 56 56 GLU C C 56 178.472 178.472 178.697 -0.224 18250 316 1 . 1 1 56 56 GLU CA C 56 59.600 59.600 59.041 0.559 18250 317 1 . 1 1 56 56 GLU CB C 56 29.782 29.782 29.745 0.037 18250 318 1 . 1 1 56 56 GLU H H 56 8.282 8.282 7.744 0.538 18250 319 1 . 1 1 57 57 PHE N N 57 121.604 121.604 119.977 1.627 18250 320 1 . 1 1 57 57 PHE HA H 57 4.341 4.341 4.285 0.056 18250 321 1 . 1 1 57 57 PHE C C 57 177.008 177.008 177.464 -0.456 18250 322 1 . 1 1 57 57 PHE CA C 57 61.915 61.915 61.918 -0.003 18250 323 1 . 1 1 57 57 PHE CB C 57 40.025 40.025 39.544 0.482 18250 324 1 . 1 1 57 57 PHE H H 57 8.671 8.671 8.847 -0.176 18250 325 1 . 1 1 58 58 GLU N N 58 116.765 116.765 119.450 -2.685 18250 326 1 . 1 1 58 58 GLU HA H 58 3.667 3.667 3.958 -0.291 18250 327 1 . 1 1 58 58 GLU C C 58 177.661 177.661 177.950 -0.289 18250 328 1 . 1 1 58 58 GLU CA C 58 58.795 58.795 59.095 -0.300 18250 329 1 . 1 1 58 58 GLU CB C 58 29.783 29.783 29.501 0.282 18250 330 1 . 1 1 58 58 GLU H H 58 8.136 8.136 7.978 0.158 18250 331 1 . 1 1 59 59 LEU N N 59 117.344 117.344 118.379 -1.035 18250 332 1 . 1 1 59 59 LEU HA H 59 4.201 4.201 4.224 -0.023 18250 333 1 . 1 1 59 59 LEU C C 59 178.953 178.953 178.375 0.578 18250 334 1 . 1 1 59 59 LEU CA C 59 56.973 56.973 56.664 0.309 18250 335 1 . 1 1 59 59 LEU CB C 59 42.976 42.976 42.121 0.855 18250 336 1 . 1 1 59 59 LEU H H 59 7.513 7.513 7.642 -0.129 18250 337 1 . 1 1 60 60 ARG N N 60 117.779 117.779 118.714 -0.935 18250 338 1 . 1 1 60 60 ARG HA H 60 3.957 3.957 4.106 -0.149 18250 339 1 . 1 1 60 60 ARG C C 60 177.342 177.342 176.992 0.350 18250 340 1 . 1 1 60 60 ARG CA C 60 57.901 57.901 57.248 0.653 18250 341 1 . 1 1 60 60 ARG CB C 60 31.153 31.153 31.216 -0.063 18250 342 1 . 1 1 60 60 ARG H H 60 8.072 8.072 7.634 0.438 18250 343 1 . 1 1 61 61 TYR N N 61 119.056 119.056 116.903 2.153 18250 344 1 . 1 1 61 61 TYR HA H 61 4.744 4.744 4.703 0.041 18250 345 1 . 1 1 61 61 TYR C C 61 175.214 175.214 175.267 -0.053 18250 346 1 . 1 1 61 61 TYR CA C 61 56.294 56.294 56.012 0.282 18250 347 1 . 1 1 61 61 TYR CB C 61 37.024 37.024 37.781 -0.757 18250 348 1 . 1 1 61 61 TYR H H 61 8.050 8.050 8.050 0.000 18250 349 1 . 1 1 62 62 ARG N N 62 119.956 119.956 122.883 -2.927 18250 350 1 . 1 1 62 62 ARG HA H 62 4.058 4.058 4.043 0.015 18250 351 1 . 1 1 62 62 ARG C C 62 178.183 178.183 177.751 0.432 18250 352 1 . 1 1 62 62 ARG CA C 62 59.025 59.025 60.212 -1.187 18250 353 1 . 1 1 62 62 ARG CB C 62 30.139 30.139 30.294 -0.155 18250 354 1 . 1 1 62 62 ARG H H 62 7.419 7.419 8.332 -0.913 18250 355 1 . 1 1 63 63 ARG HA H 63 4.222 4.222 4.178 0.044 18250 356 1 . 1 1 63 63 ARG C C 63 177.387 177.387 178.160 -0.773 18250 357 1 . 1 1 63 63 ARG CA C 63 57.730 57.730 59.059 -1.329 18250 358 1 . 1 1 63 63 ARG CB C 63 29.179 29.179 29.388 -0.209 18250 359 1 . 1 1 64 64 ALA N N 64 122.003 122.003 122.160 -0.157 18250 360 1 . 1 1 64 64 ALA HA H 64 4.100 4.100 4.242 -0.143 18250 361 1 . 1 1 64 64 ALA C C 64 179.975 179.975 179.538 0.437 18250 362 1 . 1 1 64 64 ALA CA C 64 54.579 54.579 54.685 -0.106 18250 363 1 . 1 1 64 64 ALA CB C 64 18.636 18.636 18.358 0.278 18250 364 1 . 1 1 64 64 ALA H H 64 7.868 7.868 7.854 0.014 18250 365 1 . 1 1 65 65 PHE N N 65 115.858 115.858 119.924 -4.066 18250 366 1 . 1 1 65 65 PHE HA H 65 4.800 4.800 4.493 0.307 18250 367 1 . 1 1 65 65 PHE C C 65 177.376 177.376 177.688 -0.312 18250 368 1 . 1 1 65 65 PHE CA C 65 58.222 58.222 61.545 -3.323 18250 369 1 . 1 1 65 65 PHE CB C 65 38.877 38.877 39.454 -0.577 18250 370 1 . 1 1 65 65 PHE H H 65 8.579 8.579 8.654 -0.075 18250 371 1 . 1 1 66 66 SER N N 66 116.942 116.942 115.339 1.603 18250 372 1 . 1 1 66 66 SER HA H 66 4.223 4.223 4.169 0.054 18250 373 1 . 1 1 66 66 SER C C 66 176.472 176.472 176.494 -0.022 18250 374 1 . 1 1 66 66 SER CA C 66 61.764 61.764 61.652 0.112 18250 375 1 . 1 1 66 66 SER CB C 66 63.012 63.012 62.835 0.177 18250 376 1 . 1 1 66 66 SER H H 66 8.232 8.232 8.519 -0.287 18250 377 1 . 1 1 67 67 ASP N N 67 121.623 121.623 122.700 -1.077 18250 378 1 . 1 1 67 67 ASP HA H 67 4.487 4.487 4.501 -0.014 18250 379 1 . 1 1 67 67 ASP C C 67 178.404 178.404 178.376 0.028 18250 380 1 . 1 1 67 67 ASP CA C 67 56.827 56.827 56.860 -0.033 18250 381 1 . 1 1 67 67 ASP CB C 67 40.176 40.176 41.122 -0.946 18250 382 1 . 1 1 67 67 ASP H H 67 8.476 8.476 7.696 0.780 18250 383 1 . 1 1 68 68 LEU N N 68 121.200 121.200 119.454 1.746 18250 384 1 . 1 1 68 68 LEU HA H 68 4.104 4.104 3.988 0.116 18250 385 1 . 1 1 68 68 LEU C C 68 179.046 179.046 178.551 0.495 18250 386 1 . 1 1 68 68 LEU CA C 68 57.972 57.972 57.332 0.640 18250 387 1 . 1 1 68 68 LEU CB C 68 42.555 42.555 41.857 0.698 18250 388 1 . 1 1 68 68 LEU H H 68 7.889 7.889 8.464 -0.575 18250 389 1 . 1 1 69 69 THR N N 69 110.282 110.282 111.431 -1.149 18250 390 1 . 1 1 69 69 THR HA H 69 4.086 4.086 3.674 0.412 18250 391 1 . 1 1 69 69 THR C C 69 177.457 177.457 176.123 1.335 18250 392 1 . 1 1 69 69 THR CA C 69 65.839 65.839 65.663 0.176 18250 393 1 . 1 1 69 69 THR CB C 69 68.442 68.442 68.098 0.344 18250 394 1 . 1 1 69 69 THR H H 69 8.493 8.493 8.007 0.486 18250 395 1 . 1 1 70 70 SER N N 70 116.582 116.582 116.408 0.174 18250 396 1 . 1 1 70 70 SER HA H 70 4.330 4.330 4.201 0.129 18250 397 1 . 1 1 70 70 SER C C 70 175.607 175.607 176.587 -0.980 18250 398 1 . 1 1 70 70 SER CA C 70 60.676 60.676 61.133 -0.457 18250 399 1 . 1 1 70 70 SER CB C 70 63.301 63.301 62.913 0.388 18250 400 1 . 1 1 70 70 SER H H 70 7.754 7.754 7.549 0.205 18250 401 1 . 1 1 71 71 GLN N N 71 119.129 119.129 121.474 -2.345 18250 402 1 . 1 1 71 71 GLN HA H 71 4.108 4.108 4.164 -0.056 18250 403 1 . 1 1 71 71 GLN C C 71 176.338 176.338 176.989 -0.651 18250 404 1 . 1 1 71 71 GLN CA C 71 57.407 57.407 57.944 -0.537 18250 405 1 . 1 1 71 71 GLN CB C 71 29.533 29.533 28.833 0.700 18250 406 1 . 1 1 71 71 GLN H H 71 7.754 7.754 7.483 0.271 18250 407 1 . 1 1 72 72 LEU N N 72 118.804 118.804 118.532 0.272 18250 408 1 . 1 1 72 72 LEU HA H 72 4.312 4.312 4.349 -0.037 18250 409 1 . 1 1 72 72 LEU C C 72 174.285 174.285 175.729 -1.444 18250 410 1 . 1 1 72 72 LEU CA C 72 55.437 55.437 53.416 2.021 18250 411 1 . 1 1 72 72 LEU CB C 72 43.888 43.888 42.053 1.835 18250 412 1 . 1 1 72 72 LEU H H 72 7.577 7.577 7.322 0.255 18250 413 1 . 1 1 73 73 HIS HA H 73 4.644 4.644 4.419 0.225 18250 414 1 . 1 1 73 73 HIS C C 73 174.452 174.452 175.200 -0.748 18250 415 1 . 1 1 73 73 HIS CA C 73 54.964 54.964 56.564 -1.600 18250 416 1 . 1 1 73 73 HIS CB C 73 28.747 28.747 29.438 -0.690 18250 417 1 . 1 1 74 74 ILE N N 74 122.470 122.470 128.119 -5.649 18250 418 1 . 1 1 74 74 ILE HA H 74 4.207 4.207 4.153 0.054 18250 419 1 . 1 1 74 74 ILE CA C 74 61.962 61.962 61.108 0.854 18250 420 1 . 1 1 74 74 ILE CB C 74 38.952 38.952 38.312 0.640 18250 421 1 . 1 1 74 74 ILE H H 74 8.767 8.767 8.371 0.396 18250 422 1 . 1 1 75 75 THR N N 75 120.535 120.535 124.199 -3.664 18250 423 1 . 1 1 75 75 THR HA H 75 4.325 4.325 4.771 -0.446 18250 424 1 . 1 1 75 75 THR H H 75 7.953 7.953 8.123 -0.170 18250 425 1 . 1 1 77 77 GLY CA C 77 44.791 44.791 44.981 -0.190 18250 426 1 . 1 1 78 78 THR N N 78 130.040 130.040 117.573 12.467 18250 427 1 . 1 1 78 78 THR HA H 78 4.147 4.147 4.212 -0.065 18250 428 1 . 1 1 78 78 THR H H 78 8.795 8.795 8.006 0.789 18250 429 1 . 1 1 79 79 ALA HA H 79 4.827 4.827 4.331 0.496 18250 430 1 . 1 1 79 79 ALA C C 79 177.644 177.644 177.182 0.462 18250 431 1 . 1 1 79 79 ALA CA C 79 51.117 51.117 51.166 -0.049 18250 432 1 . 1 1 79 79 ALA CB C 79 21.518 21.518 20.213 1.305 18250 433 1 . 1 1 80 80 TYR N N 80 121.374 121.374 120.846 0.528 18250 434 1 . 1 1 80 80 TYR HA H 80 4.648 4.648 3.400 1.248 18250 435 1 . 1 1 80 80 TYR C C 80 176.560 176.560 176.918 -0.358 18250 436 1 . 1 1 80 80 TYR CA C 80 60.846 60.846 61.177 -0.331 18250 437 1 . 1 1 80 80 TYR CB C 80 38.165 38.165 38.174 -0.009 18250 438 1 . 1 1 80 80 TYR H H 80 8.858 8.858 8.509 0.349 18250 439 1 . 1 1 81 81 GLN N N 81 115.124 115.124 118.478 -3.354 18250 440 1 . 1 1 81 81 GLN HA H 81 3.802 3.802 3.777 0.025 18250 441 1 . 1 1 81 81 GLN C C 81 178.330 178.330 177.986 0.344 18250 442 1 . 1 1 81 81 GLN CA C 81 59.911 59.911 59.203 0.709 18250 443 1 . 1 1 81 81 GLN CB C 81 28.016 28.016 27.750 0.267 18250 444 1 . 1 1 81 81 GLN H H 81 8.532 8.532 8.608 -0.076 18250 445 1 . 1 1 82 82 SER N N 82 114.423 114.423 115.422 -0.999 18250 446 1 . 1 1 82 82 SER HA H 82 4.253 4.253 4.104 0.149 18250 447 1 . 1 1 82 82 SER CA C 82 62.089 62.089 60.996 1.093 18250 448 1 . 1 1 82 82 SER CB C 82 63.338 63.338 62.794 0.544 18250 449 1 . 1 1 82 82 SER H H 82 7.356 7.356 7.506 -0.150 18250 450 1 . 1 1 83 83 PHE HA H 83 3.937 3.937 3.996 -0.059 18250 451 1 . 1 1 83 83 PHE C C 83 175.136 175.136 176.505 -1.369 18250 452 1 . 1 1 83 83 PHE CA C 83 61.335 61.335 60.848 0.487 18250 453 1 . 1 1 83 83 PHE CB C 83 39.433 39.433 39.174 0.259 18250 454 1 . 1 1 84 84 GLU N N 84 119.917 119.917 118.938 0.979 18250 455 1 . 1 1 84 84 GLU HA H 84 3.331 3.331 3.509 -0.178 18250 456 1 . 1 1 84 84 GLU C C 84 177.012 177.012 178.397 -1.385 18250 457 1 . 1 1 84 84 GLU CA C 84 59.146 59.146 59.326 -0.180 18250 458 1 . 1 1 84 84 GLU CB C 84 30.460 30.460 29.022 1.438 18250 459 1 . 1 1 84 84 GLU H H 84 8.659 8.659 8.335 0.324 18250 460 1 . 1 1 85 85 GLN N N 85 115.027 115.027 116.910 -1.883 18250 461 1 . 1 1 85 85 GLN HA H 85 3.888 3.888 3.952 -0.064 18250 462 1 . 1 1 85 85 GLN C C 85 178.571 178.571 177.821 0.750 18250 463 1 . 1 1 85 85 GLN CA C 85 59.103 59.103 58.167 0.936 18250 464 1 . 1 1 85 85 GLN CB C 85 28.586 28.586 28.413 0.173 18250 465 1 . 1 1 85 85 GLN H H 85 7.592 7.592 7.571 0.021 18250 466 1 . 1 1 86 86 VAL N N 86 118.481 118.481 116.623 1.858 18250 467 1 . 1 1 86 86 VAL HA H 86 3.644 3.644 3.787 -0.143 18250 468 1 . 1 1 86 86 VAL C C 86 177.898 177.898 178.161 -0.263 18250 469 1 . 1 1 86 86 VAL CA C 86 66.100 66.100 64.659 1.441 18250 470 1 . 1 1 86 86 VAL CB C 86 31.799 31.799 32.199 -0.400 18250 471 1 . 1 1 86 86 VAL H H 86 7.164 7.164 7.139 0.025 18250 472 1 . 1 1 87 87 VAL N N 87 119.825 119.825 117.537 2.288 18250 473 1 . 1 1 87 87 VAL HA H 87 3.028 3.028 3.521 -0.493 18250 474 1 . 1 1 87 87 VAL C C 87 177.853 177.853 177.297 0.556 18250 475 1 . 1 1 87 87 VAL CA C 87 66.394 66.394 65.040 1.354 18250 476 1 . 1 1 87 87 VAL CB C 87 31.044 31.044 30.545 0.499 18250 477 1 . 1 1 87 87 VAL H H 87 7.980 7.980 7.578 0.402 18250 478 1 . 1 1 88 88 ASN N N 88 117.625 117.625 119.230 -1.604 18250 479 1 . 1 1 88 88 ASN HA H 88 4.283 4.283 4.516 -0.233 18250 480 1 . 1 1 88 88 ASN C C 88 178.987 178.987 176.907 2.080 18250 481 1 . 1 1 88 88 ASN CA C 88 55.449 55.449 55.601 -0.152 18250 482 1 . 1 1 88 88 ASN CB C 88 37.329 37.329 38.373 -1.044 18250 483 1 . 1 1 88 88 ASN H H 88 8.437 8.437 8.411 0.026 18250 484 1 . 1 1 89 89 GLU N N 89 118.940 118.940 119.290 -0.350 18250 485 1 . 1 1 89 89 GLU HA H 89 4.001 4.001 4.107 -0.106 18250 486 1 . 1 1 89 89 GLU C C 89 179.305 179.305 178.540 0.765 18250 487 1 . 1 1 89 89 GLU CA C 89 59.016 59.016 58.307 0.709 18250 488 1 . 1 1 89 89 GLU CB C 89 29.120 29.120 29.399 -0.279 18250 489 1 . 1 1 89 89 GLU H H 89 7.377 7.377 7.872 -0.495 18250 490 1 . 1 1 90 90 LEU N N 90 120.797 120.797 119.888 0.909 18250 491 1 . 1 1 90 90 LEU HA H 90 3.821 3.821 4.013 -0.192 18250 492 1 . 1 1 90 90 LEU C C 90 178.249 178.249 178.387 -0.138 18250 493 1 . 1 1 90 90 LEU CA C 90 57.491 57.491 57.395 0.096 18250 494 1 . 1 1 90 90 LEU CB C 90 41.502 41.502 41.869 -0.367 18250 495 1 . 1 1 90 90 LEU H H 90 7.608 7.608 7.408 0.200 18250 496 1 . 1 1 91 91 PHE N N 91 113.366 113.366 119.166 -5.800 18250 497 1 . 1 1 91 91 PHE HA H 91 4.532 4.532 4.053 0.479 18250 498 1 . 1 1 91 91 PHE C C 91 176.475 176.475 177.872 -1.397 18250 499 1 . 1 1 91 91 PHE CA C 91 57.504 57.504 61.273 -3.769 18250 500 1 . 1 1 91 91 PHE CB C 91 39.470 39.470 39.244 0.226 18250 501 1 . 1 1 91 91 PHE H H 91 7.024 7.024 7.678 -0.654 18250 502 1 . 1 1 92 92 ARG N N 92 123.994 123.994 119.680 4.314 18250 503 1 . 1 1 92 92 ARG HA H 92 3.965 3.965 4.173 -0.208 18250 504 1 . 1 1 92 92 ARG C C 92 177.152 177.152 176.894 0.258 18250 505 1 . 1 1 92 92 ARG CA C 92 59.743 59.743 57.957 1.786 18250 506 1 . 1 1 92 92 ARG CB C 92 30.171 30.171 29.886 0.285 18250 507 1 . 1 1 92 92 ARG H H 92 7.237 7.237 8.297 -1.060 18250 508 1 . 1 1 93 93 ASP N N 93 116.866 116.866 117.223 -0.357 18250 509 1 . 1 1 93 93 ASP HA H 93 4.823 4.823 4.605 0.218 18250 510 1 . 1 1 93 93 ASP C C 93 175.589 175.589 176.198 -0.609 18250 511 1 . 1 1 93 93 ASP CA C 93 54.068 54.068 53.697 0.371 18250 512 1 . 1 1 93 93 ASP CB C 93 40.755 40.755 40.915 -0.160 18250 513 1 . 1 1 93 93 ASP H H 93 8.711 8.711 7.639 1.072 18250 514 1 . 1 1 94 94 GLY N N 94 108.978 108.978 107.809 1.169 18250 515 1 . 1 1 94 94 GLY C C 94 172.635 172.635 174.469 -1.834 18250 516 1 . 1 1 94 94 GLY CA C 94 43.818 43.818 44.586 -0.768 18250 517 1 . 1 1 94 94 GLY H H 94 7.582 7.582 7.445 0.137 18250 518 1 . 1 1 95 95 VAL N N 95 120.777 120.777 118.800 1.978 18250 519 1 . 1 1 95 95 VAL HA H 95 3.545 3.545 3.364 0.181 18250 520 1 . 1 1 95 95 VAL C C 95 174.452 174.452 174.351 0.101 18250 521 1 . 1 1 95 95 VAL CA C 95 62.875 62.875 63.322 -0.448 18250 522 1 . 1 1 95 95 VAL CB C 95 32.148 32.148 31.128 1.020 18250 523 1 . 1 1 95 95 VAL H H 95 8.293 8.293 7.163 1.130 18250 524 1 . 1 1 96 96 ASN N N 96 116.198 116.198 125.758 -9.560 18250 525 1 . 1 1 96 96 ASN HA H 96 4.070 4.070 4.442 -0.372 18250 526 1 . 1 1 96 96 ASN C C 96 175.243 175.243 175.636 -0.393 18250 527 1 . 1 1 96 96 ASN CA C 96 51.784 51.784 51.339 0.445 18250 528 1 . 1 1 96 96 ASN CB C 96 39.849 39.849 40.191 -0.342 18250 529 1 . 1 1 96 96 ASN H H 96 6.401 6.401 7.828 -1.427 18250 530 1 . 1 1 97 97 TRP N N 97 118.776 118.776 120.942 -2.166 18250 531 1 . 1 1 97 97 TRP HA H 97 4.588 4.588 4.451 0.137 18250 532 1 . 1 1 97 97 TRP C C 97 178.207 178.207 178.239 -0.032 18250 533 1 . 1 1 97 97 TRP CA C 97 61.083 61.083 60.248 0.835 18250 534 1 . 1 1 97 97 TRP CB C 97 30.676 30.676 29.436 1.240 18250 535 1 . 1 1 97 97 TRP H H 97 8.530 8.530 8.818 -0.288 18250 536 1 . 1 1 98 98 GLY N N 98 106.573 106.573 107.057 -0.484 18250 537 1 . 1 1 98 98 GLY C C 98 177.485 177.485 176.060 1.425 18250 538 1 . 1 1 98 98 GLY CA C 98 47.505 47.505 46.669 0.836 18250 539 1 . 1 1 98 98 GLY H H 98 8.634 8.634 8.787 -0.153 18250 540 1 . 1 1 99 99 ARG N N 99 121.627 121.627 121.755 -0.128 18250 541 1 . 1 1 99 99 ARG HA H 99 3.999 3.999 4.089 -0.090 18250 542 1 . 1 1 99 99 ARG C C 99 177.693 177.693 178.540 -0.847 18250 543 1 . 1 1 99 99 ARG CA C 99 58.487 58.487 57.756 0.731 18250 544 1 . 1 1 99 99 ARG CB C 99 31.363 31.363 29.585 1.778 18250 545 1 . 1 1 99 99 ARG H H 99 8.214 8.214 7.864 0.349 18250 546 1 . 1 1 100 100 ILE N N 100 121.379 121.379 120.427 0.952 18250 547 1 . 1 1 100 100 ILE HA H 100 3.986 3.986 3.912 0.074 18250 548 1 . 1 1 100 100 ILE C C 100 178.143 178.143 177.800 0.343 18250 549 1 . 1 1 100 100 ILE CA C 100 67.148 67.148 65.001 2.147 18250 550 1 . 1 1 100 100 ILE CB C 100 37.099 37.099 37.613 -0.514 18250 551 1 . 1 1 100 100 ILE H H 100 7.810 7.810 7.181 0.629 18250 552 1 . 1 1 101 101 VAL N N 101 121.444 121.444 120.068 1.376 18250 553 1 . 1 1 101 101 VAL HA H 101 3.458 3.458 3.400 0.058 18250 554 1 . 1 1 101 101 VAL C C 101 177.752 177.752 177.790 -0.038 18250 555 1 . 1 1 101 101 VAL CA C 101 68.165 68.165 66.835 1.330 18250 556 1 . 1 1 101 101 VAL CB C 101 31.423 31.423 30.913 0.510 18250 557 1 . 1 1 101 101 VAL H H 101 8.378 8.378 7.562 0.816 18250 558 1 . 1 1 102 102 ALA N N 102 121.864 121.864 122.373 -0.509 18250 559 1 . 1 1 102 102 ALA HA H 102 3.174 3.174 3.181 -0.007 18250 560 1 . 1 1 102 102 ALA C C 102 178.223 178.223 178.752 -0.529 18250 561 1 . 1 1 102 102 ALA CA C 102 55.256 55.256 54.440 0.816 18250 562 1 . 1 1 102 102 ALA CB C 102 18.631 18.631 17.500 1.131 18250 563 1 . 1 1 102 102 ALA H H 102 7.693 7.693 7.811 -0.117 18250 564 1 . 1 1 103 103 PHE N N 103 119.560 119.560 119.452 0.108 18250 565 1 . 1 1 103 103 PHE HA H 103 3.986 3.986 4.088 -0.102 18250 566 1 . 1 1 103 103 PHE C C 103 176.264 176.264 177.310 -1.046 18250 567 1 . 1 1 103 103 PHE CA C 103 60.811 60.811 61.260 -0.449 18250 568 1 . 1 1 103 103 PHE CB C 103 38.585 38.585 39.144 -0.559 18250 569 1 . 1 1 103 103 PHE H H 103 8.096 8.096 7.961 0.135 18250 570 1 . 1 1 104 104 PHE N N 104 120.694 120.694 117.156 3.538 18250 571 1 . 1 1 104 104 PHE HA H 104 3.347 3.347 4.045 -0.698 18250 572 1 . 1 1 104 104 PHE C C 104 177.604 177.604 177.836 -0.232 18250 573 1 . 1 1 104 104 PHE CA C 104 62.995 62.995 60.179 2.816 18250 574 1 . 1 1 104 104 PHE CB C 104 36.626 36.626 38.265 -1.639 18250 575 1 . 1 1 104 104 PHE H H 104 8.087 8.087 8.380 -0.293 18250 576 1 . 1 1 105 105 SER N N 105 114.775 114.775 116.143 -1.368 18250 577 1 . 1 1 105 105 SER HA H 105 4.444 4.444 4.442 0.002 18250 578 1 . 1 1 105 105 SER C C 105 177.605 177.605 176.843 0.762 18250 579 1 . 1 1 105 105 SER CA C 105 63.767 63.767 62.089 1.678 18250 580 1 . 1 1 105 105 SER CB C 105 63.409 63.409 62.898 0.511 18250 581 1 . 1 1 105 105 SER H H 105 8.514 8.514 8.312 0.202 18250 582 1 . 1 1 106 106 PHE N N 106 124.632 124.632 121.984 2.648 18250 583 1 . 1 1 106 106 PHE HA H 106 4.071 4.071 4.384 -0.313 18250 584 1 . 1 1 106 106 PHE C C 106 176.639 176.639 178.357 -1.718 18250 585 1 . 1 1 106 106 PHE CA C 106 60.185 60.185 59.763 0.422 18250 586 1 . 1 1 106 106 PHE CB C 106 38.639 38.639 37.880 0.759 18250 587 1 . 1 1 106 106 PHE H H 106 9.146 9.146 8.342 0.804 18250 588 1 . 1 1 107 107 GLY N N 107 106.495 106.495 106.795 -0.300 18250 589 1 . 1 1 107 107 GLY C C 107 176.647 176.647 176.591 0.056 18250 590 1 . 1 1 107 107 GLY CA C 107 47.998 47.998 47.176 0.822 18250 591 1 . 1 1 107 107 GLY H H 107 8.063 8.063 7.975 0.088 18250 592 1 . 1 1 108 108 GLY N N 108 107.786 107.786 109.319 -1.532 18250 593 1 . 1 1 108 108 GLY C C 108 174.589 174.589 175.328 -0.739 18250 594 1 . 1 1 108 108 GLY CA C 108 47.931 47.931 46.678 1.253 18250 595 1 . 1 1 108 108 GLY H H 108 8.900 8.900 8.121 0.779 18250 596 1 . 1 1 109 109 ALA N N 109 124.959 124.959 124.287 0.672 18250 597 1 . 1 1 109 109 ALA HA H 109 4.216 4.216 4.373 -0.157 18250 598 1 . 1 1 109 109 ALA C C 109 181.113 181.113 179.270 1.843 18250 599 1 . 1 1 109 109 ALA CA C 109 55.098 55.098 54.424 0.674 18250 600 1 . 1 1 109 109 ALA CB C 109 18.418 18.418 19.084 -0.666 18250 601 1 . 1 1 109 109 ALA H H 109 8.343 8.343 7.718 0.625 18250 602 1 . 1 1 110 110 LEU N N 110 119.336 119.336 119.778 -0.443 18250 603 1 . 1 1 110 110 LEU HA H 110 4.017 4.017 4.024 -0.007 18250 604 1 . 1 1 110 110 LEU C C 110 180.100 180.100 179.167 0.933 18250 605 1 . 1 1 110 110 LEU CA C 110 57.400 57.400 58.225 -0.825 18250 606 1 . 1 1 110 110 LEU CB C 110 42.562 42.562 41.812 0.750 18250 607 1 . 1 1 110 110 LEU H H 110 8.296 8.296 8.605 -0.309 18250 608 1 . 1 1 111 111 CYS N N 111 119.466 119.466 116.714 2.752 18250 609 1 . 1 1 111 111 CYS HA H 111 3.818 3.818 4.064 -0.246 18250 610 1 . 1 1 111 111 CYS C C 111 175.954 175.954 176.953 -0.999 18250 611 1 . 1 1 111 111 CYS CA C 111 64.665 64.665 63.161 1.504 18250 612 1 . 1 1 111 111 CYS CB C 111 26.724 26.724 26.480 0.244 18250 613 1 . 1 1 111 111 CYS H H 111 8.207 8.207 8.666 -0.459 18250 614 1 . 1 1 112 112 VAL N N 112 119.086 119.086 121.908 -2.822 18250 615 1 . 1 1 112 112 VAL HA H 112 3.379 3.379 3.731 -0.352 18250 616 1 . 1 1 112 112 VAL C C 112 177.356 177.356 177.935 -0.579 18250 617 1 . 1 1 112 112 VAL CA C 112 67.316 67.316 66.703 0.613 18250 618 1 . 1 1 112 112 VAL CB C 112 31.944 31.944 31.836 0.108 18250 619 1 . 1 1 112 112 VAL H H 112 8.110 8.110 7.477 0.633 18250 620 1 . 1 1 113 113 GLU N N 113 119.448 119.448 119.280 0.168 18250 621 1 . 1 1 113 113 GLU HA H 113 4.094 4.094 3.996 0.098 18250 622 1 . 1 1 113 113 GLU C C 113 178.264 178.264 179.125 -0.861 18250 623 1 . 1 1 113 113 GLU CA C 113 59.336 59.336 59.447 -0.111 18250 624 1 . 1 1 113 113 GLU CB C 113 29.326 29.326 28.926 0.400 18250 625 1 . 1 1 113 113 GLU H H 113 8.190 8.190 8.360 -0.170 18250 626 1 . 1 1 114 114 SER N N 114 113.847 113.847 116.101 -2.254 18250 627 1 . 1 1 114 114 SER HA H 114 3.886 3.886 4.188 -0.302 18250 628 1 . 1 1 114 114 SER C C 114 175.485 175.485 176.146 -0.661 18250 629 1 . 1 1 114 114 SER CA C 114 63.249 63.249 62.077 1.172 18250 630 1 . 1 1 114 114 SER CB C 114 62.229 62.229 62.937 -0.708 18250 631 1 . 1 1 114 114 SER H H 114 7.757 7.757 8.137 -0.380 18250 632 1 . 1 1 115 115 VAL N N 115 121.093 121.093 121.542 -0.449 18250 633 1 . 1 1 115 115 VAL HA H 115 3.201 3.201 3.447 -0.246 18250 634 1 . 1 1 115 115 VAL C C 115 179.471 179.471 178.120 1.350 18250 635 1 . 1 1 115 115 VAL CA C 115 66.746 66.746 65.944 0.802 18250 636 1 . 1 1 115 115 VAL CB C 115 31.412 31.412 30.974 0.438 18250 637 1 . 1 1 115 115 VAL H H 115 7.423 7.423 7.453 -0.030 18250 638 1 . 1 1 116 116 ASP N N 116 123.023 123.023 121.149 1.874 18250 639 1 . 1 1 116 116 ASP HA H 116 4.398 4.398 4.410 -0.012 18250 640 1 . 1 1 116 116 ASP C C 116 178.029 178.029 177.475 0.554 18250 641 1 . 1 1 116 116 ASP CA C 116 57.471 57.471 56.755 0.716 18250 642 1 . 1 1 116 116 ASP CB C 116 41.004 41.004 40.968 0.036 18250 643 1 . 1 1 116 116 ASP H H 116 8.365 8.365 8.174 0.191 18250 644 1 . 1 1 117 117 LYS N N 117 116.212 116.212 117.868 -1.656 18250 645 1 . 1 1 117 117 LYS HA H 117 4.384 4.384 4.340 0.044 18250 646 1 . 1 1 117 117 LYS C C 117 175.049 175.049 175.522 -0.473 18250 647 1 . 1 1 117 117 LYS CA C 117 55.685 55.685 55.941 -0.256 18250 648 1 . 1 1 117 117 LYS CB C 117 32.317 32.317 32.304 0.013 18250 649 1 . 1 1 117 117 LYS H H 117 7.698 7.698 7.489 0.209 18250 650 1 . 1 1 118 118 GLU N N 118 114.271 114.271 114.740 -0.469 18250 651 1 . 1 1 118 118 GLU HA H 118 3.973 3.973 3.859 0.114 18250 652 1 . 1 1 118 118 GLU C C 118 176.065 176.065 175.723 0.342 18250 653 1 . 1 1 118 118 GLU CA C 118 57.766 57.766 57.807 -0.041 18250 654 1 . 1 1 118 118 GLU CB C 118 26.540 26.540 27.507 -0.967 18250 655 1 . 1 1 118 118 GLU H H 118 7.959 7.959 8.091 -0.132 18250 656 1 . 1 1 119 119 MET N N 119 119.260 119.260 118.615 0.645 18250 657 1 . 1 1 119 119 MET HA H 119 4.822 4.822 4.611 0.211 18250 658 1 . 1 1 119 119 MET C C 119 176.817 176.817 175.701 1.116 18250 659 1 . 1 1 119 119 MET CA C 119 53.675 53.675 54.282 -0.607 18250 660 1 . 1 1 119 119 MET CB C 119 31.867 31.867 31.136 0.732 18250 661 1 . 1 1 119 119 MET H H 119 8.542 8.542 8.479 0.063 18250 662 1 . 1 1 120 120 GLN N N 120 119.766 119.766 120.330 -0.564 18250 663 1 . 1 1 120 120 GLN HA H 120 3.489 3.489 3.789 -0.300 18250 664 1 . 1 1 120 120 GLN C C 120 177.471 177.471 177.319 0.152 18250 665 1 . 1 1 120 120 GLN CA C 120 60.166 60.166 58.401 1.766 18250 666 1 . 1 1 120 120 GLN CB C 120 27.667 27.667 28.670 -1.003 18250 667 1 . 1 1 120 120 GLN H H 120 8.796 8.796 8.024 0.772 18250 668 1 . 1 1 121 121 VAL N N 121 117.292 117.292 113.967 3.325 18250 669 1 . 1 1 121 121 VAL HA H 121 4.056 4.056 3.924 0.132 18250 670 1 . 1 1 121 121 VAL C C 121 175.676 175.676 176.433 -0.757 18250 671 1 . 1 1 121 121 VAL CA C 121 63.612 63.612 63.939 -0.327 18250 672 1 . 1 1 121 121 VAL CB C 121 31.494 31.494 31.477 0.017 18250 673 1 . 1 1 121 121 VAL H H 121 7.959 7.959 7.814 0.145 18250 674 1 . 1 1 122 122 LEU N N 122 117.436 117.436 120.518 -3.082 18250 675 1 . 1 1 122 122 LEU HA H 122 3.872 3.872 4.014 -0.142 18250 676 1 . 1 1 122 122 LEU C C 122 177.962 177.962 178.528 -0.566 18250 677 1 . 1 1 122 122 LEU CA C 122 55.528 55.528 57.543 -2.015 18250 678 1 . 1 1 122 122 LEU CB C 122 41.369 41.369 41.524 -0.155 18250 679 1 . 1 1 122 122 LEU H H 122 7.887 7.887 7.282 0.605 18250 680 1 . 1 1 123 123 VAL N N 123 120.028 120.028 119.289 0.739 18250 681 1 . 1 1 123 123 VAL HA H 123 3.379 3.379 3.545 -0.166 18250 682 1 . 1 1 123 123 VAL C C 123 177.040 177.040 177.089 -0.049 18250 683 1 . 1 1 123 123 VAL CA C 123 67.817 67.817 65.946 1.871 18250 684 1 . 1 1 123 123 VAL CB C 123 30.889 30.889 31.229 -0.340 18250 685 1 . 1 1 123 123 VAL H H 123 7.444 7.444 7.438 0.006 18250 686 1 . 1 1 124 124 SER N N 124 111.168 111.168 113.771 -2.603 18250 687 1 . 1 1 124 124 SER HA H 124 3.979 3.979 4.211 -0.232 18250 688 1 . 1 1 124 124 SER C C 124 177.070 177.070 176.267 0.803 18250 689 1 . 1 1 124 124 SER CA C 124 61.254 61.254 61.224 0.030 18250 690 1 . 1 1 124 124 SER CB C 124 62.403 62.403 62.835 -0.432 18250 691 1 . 1 1 124 124 SER H H 124 8.394 8.394 7.714 0.680 18250 692 1 . 1 1 125 125 ARG N N 125 123.526 123.526 121.138 2.388 18250 693 1 . 1 1 125 125 ARG HA H 125 3.710 3.710 3.791 -0.081 18250 694 1 . 1 1 125 125 ARG C C 125 175.751 175.751 177.579 -1.828 18250 695 1 . 1 1 125 125 ARG CA C 125 58.738 58.738 58.105 0.633 18250 696 1 . 1 1 125 125 ARG CB C 125 29.845 29.845 29.383 0.462 18250 697 1 . 1 1 125 125 ARG H H 125 6.696 6.696 7.169 -0.473 18250 698 1 . 1 1 126 126 ILE N N 126 118.795 118.795 120.822 -2.027 18250 699 1 . 1 1 126 126 ILE HA H 126 2.855 2.855 3.152 -0.297 18250 700 1 . 1 1 126 126 ILE C C 126 177.974 177.974 177.248 0.726 18250 701 1 . 1 1 126 126 ILE CA C 126 64.959 64.959 65.184 -0.226 18250 702 1 . 1 1 126 126 ILE CB C 126 37.666 37.666 37.422 0.244 18250 703 1 . 1 1 126 126 ILE H H 126 8.124 8.124 7.984 0.140 18250 704 1 . 1 1 127 127 ALA N N 127 119.674 119.674 121.143 -1.468 18250 705 1 . 1 1 127 127 ALA HA H 127 3.902 3.902 3.859 0.043 18250 706 1 . 1 1 127 127 ALA C C 127 179.395 179.395 179.086 0.309 18250 707 1 . 1 1 127 127 ALA CA C 127 55.287 55.287 55.071 0.216 18250 708 1 . 1 1 127 127 ALA CB C 127 18.520 18.520 17.975 0.545 18250 709 1 . 1 1 127 127 ALA H H 127 7.711 7.711 7.551 0.160 18250 710 1 . 1 1 128 128 ALA N N 128 120.850 120.850 121.710 -0.860 18250 711 1 . 1 1 128 128 ALA HA H 128 4.173 4.173 4.047 0.126 18250 712 1 . 1 1 128 128 ALA C C 128 181.038 181.038 179.587 1.451 18250 713 1 . 1 1 128 128 ALA CA C 128 55.261 55.261 54.909 0.351 18250 714 1 . 1 1 128 128 ALA CB C 128 17.822 17.822 18.220 -0.398 18250 715 1 . 1 1 128 128 ALA H H 128 7.356 7.356 7.336 0.020 18250 716 1 . 1 1 129 129 TRP N N 129 121.648 121.648 119.035 2.613 18250 717 1 . 1 1 129 129 TRP C C 129 179.558 179.558 179.058 0.500 18250 718 1 . 1 1 129 129 TRP CA C 129 57.788 57.788 59.050 -1.262 18250 719 1 . 1 1 129 129 TRP CB C 129 28.918 28.918 28.197 0.721 18250 720 1 . 1 1 129 129 TRP H H 129 9.087 9.087 8.135 0.952 18250 721 1 . 1 1 130 130 MET N N 130 117.535 117.535 118.370 -0.835 18250 722 1 . 1 1 130 130 MET HA H 130 4.345 4.345 4.618 -0.273 18250 723 1 . 1 1 130 130 MET C C 130 178.170 178.170 178.752 -0.582 18250 724 1 . 1 1 130 130 MET CA C 130 60.179 60.179 59.709 0.470 18250 725 1 . 1 1 130 130 MET CB C 130 34.928 34.928 32.148 2.780 18250 726 1 . 1 1 130 130 MET H H 130 9.031 9.031 8.589 0.442 18250 727 1 . 1 1 131 131 ALA N N 131 120.973 120.973 121.925 -0.952 18250 728 1 . 1 1 131 131 ALA HA H 131 4.100 4.100 4.141 -0.041 18250 729 1 . 1 1 131 131 ALA C C 131 176.249 176.249 179.629 -3.380 18250 730 1 . 1 1 131 131 ALA CA C 131 56.176 56.176 55.403 0.773 18250 731 1 . 1 1 131 131 ALA CB C 131 17.634 17.634 18.130 -0.496 18250 732 1 . 1 1 131 131 ALA H H 131 8.274 8.274 8.390 -0.116 18250 733 1 . 1 1 132 132 THR N N 132 117.211 117.211 117.449 -0.238 18250 734 1 . 1 1 132 132 THR HA H 132 3.959 3.959 3.964 -0.005 18250 735 1 . 1 1 132 132 THR C C 132 175.035 175.035 176.339 -1.304 18250 736 1 . 1 1 132 132 THR CA C 132 67.312 67.312 67.672 -0.360 18250 737 1 . 1 1 132 132 THR CB C 132 69.177 69.177 68.741 0.436 18250 738 1 . 1 1 132 132 THR H H 132 8.648 8.648 8.248 0.400 18250 739 1 . 1 1 133 133 TYR N N 133 123.705 123.705 124.044 -0.340 18250 740 1 . 1 1 133 133 TYR HA H 133 4.018 4.018 4.450 -0.432 18250 741 1 . 1 1 133 133 TYR C C 133 179.551 179.551 177.822 1.729 18250 742 1 . 1 1 133 133 TYR CA C 133 63.577 63.577 61.909 1.668 18250 743 1 . 1 1 133 133 TYR CB C 133 39.312 39.312 38.726 0.586 18250 744 1 . 1 1 133 133 TYR H H 133 8.964 8.964 8.670 0.294 18250 745 1 . 1 1 134 134 LEU N N 134 119.671 119.671 120.420 -0.749 18250 746 1 . 1 1 134 134 LEU HA H 134 3.832 3.832 3.955 -0.123 18250 747 1 . 1 1 134 134 LEU C C 134 178.321 178.321 178.473 -0.152 18250 748 1 . 1 1 134 134 LEU CA C 134 59.586 59.586 58.258 1.328 18250 749 1 . 1 1 134 134 LEU CB C 134 42.898 42.898 41.978 0.920 18250 750 1 . 1 1 134 134 LEU H H 134 8.853 8.853 8.804 0.049 18250 751 1 . 1 1 135 135 ASN N N 135 117.661 117.661 116.747 0.914 18250 752 1 . 1 1 135 135 ASN HA H 135 4.353 4.353 4.580 -0.227 18250 753 1 . 1 1 135 135 ASN C C 135 176.407 176.407 176.975 -0.568 18250 754 1 . 1 1 135 135 ASN CA C 135 56.883 56.883 55.961 0.922 18250 755 1 . 1 1 135 135 ASN CB C 135 39.219 39.219 38.604 0.615 18250 756 1 . 1 1 135 135 ASN H H 135 8.455 8.455 8.497 -0.042 18250 757 1 . 1 1 136 136 ASP N N 136 115.939 115.939 118.269 -2.330 18250 758 1 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.548 -0.213 18250 759 1 . 1 1 136 136 ASP C C 136 177.798 177.798 177.653 0.145 18250 760 1 . 1 1 136 136 ASP CA C 136 56.501 56.501 56.618 -0.118 18250 761 1 . 1 1 136 136 ASP CB C 136 40.861 40.861 41.585 -0.724 18250 762 1 . 1 1 136 136 ASP H H 136 8.580 8.580 8.452 0.128 18250 763 1 . 1 1 137 137 HIS N N 137 112.071 112.071 117.564 -5.493 18250 764 1 . 1 1 137 137 HIS HA H 137 4.552 4.552 4.313 0.239 18250 765 1 . 1 1 137 137 HIS C C 137 175.780 175.780 176.853 -1.074 18250 766 1 . 1 1 137 137 HIS CA C 137 56.529 56.529 58.030 -1.501 18250 767 1 . 1 1 137 137 HIS CB C 137 30.890 30.890 30.862 0.028 18250 768 1 . 1 1 137 137 HIS H H 137 8.202 8.202 7.778 0.424 18250 769 1 . 1 1 138 138 LEU N N 138 117.363 117.363 120.731 -3.368 18250 770 1 . 1 1 138 138 LEU HA H 138 4.550 4.550 4.302 0.248 18250 771 1 . 1 1 138 138 LEU C C 138 176.369 176.369 178.011 -1.642 18250 772 1 . 1 1 138 138 LEU CA C 138 55.696 55.696 56.452 -0.756 18250 773 1 . 1 1 138 138 LEU CB C 138 43.465 43.465 42.065 1.400 18250 774 1 . 1 1 138 138 LEU H H 138 7.306 7.306 8.105 -0.799 18250 775 1 . 1 1 139 139 GLU N N 139 121.917 121.917 120.329 1.588 18250 776 1 . 1 1 139 139 GLU HA H 139 4.351 4.351 3.988 0.363 18250 777 1 . 1 1 139 139 GLU C C 139 173.816 173.816 175.844 -2.028 18250 778 1 . 1 1 139 139 GLU CA C 139 60.529 60.529 61.629 -1.101 18250 779 1 . 1 1 139 139 GLU CB C 139 27.774 27.774 27.552 0.222 18250 780 1 . 1 1 139 139 GLU H H 139 8.706 8.706 8.661 0.045 18250 781 1 . 1 1 140 140 PRO HA H 140 4.234 4.234 4.191 0.043 18250 782 1 . 1 1 140 140 PRO C C 140 179.159 179.159 178.697 0.462 18250 783 1 . 1 1 140 140 PRO CA C 140 66.582 66.582 65.791 0.791 18250 784 1 . 1 1 140 140 PRO CB C 140 30.747 30.747 31.409 -0.662 18250 785 1 . 1 1 141 141 TRP N N 141 118.367 118.367 119.356 -0.989 18250 786 1 . 1 1 141 141 TRP HA H 141 3.855 3.855 4.398 -0.543 18250 787 1 . 1 1 141 141 TRP C C 141 179.411 179.411 177.880 1.531 18250 788 1 . 1 1 141 141 TRP CA C 141 62.205 62.205 60.931 1.274 18250 789 1 . 1 1 141 141 TRP CB C 141 28.928 28.928 29.732 -0.804 18250 790 1 . 1 1 141 141 TRP H H 141 7.195 7.195 7.604 -0.409 18250 791 1 . 1 1 142 142 ILE N N 142 122.553 122.553 120.104 2.449 18250 792 1 . 1 1 142 142 ILE HA H 142 2.891 2.891 3.294 -0.403 18250 793 1 . 1 1 142 142 ILE C C 142 178.924 178.924 178.075 0.849 18250 794 1 . 1 1 142 142 ILE CA C 142 66.241 66.241 65.493 0.747 18250 795 1 . 1 1 142 142 ILE CB C 142 38.314 38.314 37.515 0.799 18250 796 1 . 1 1 142 142 ILE H H 142 8.511 8.511 8.229 0.282 18250 797 1 . 1 1 143 143 GLN N N 143 116.777 116.777 118.319 -1.542 18250 798 1 . 1 1 143 143 GLN HA H 143 3.920 3.920 3.942 -0.022 18250 799 1 . 1 1 143 143 GLN C C 143 179.455 179.455 178.526 0.929 18250 800 1 . 1 1 143 143 GLN CA C 143 58.567 58.567 58.672 -0.105 18250 801 1 . 1 1 143 143 GLN CB C 143 28.068 28.068 28.142 -0.073 18250 802 1 . 1 1 143 143 GLN H H 143 8.514 8.514 8.474 0.040 18250 803 1 . 1 1 144 144 GLU N N 144 119.467 119.467 119.290 0.177 18250 804 1 . 1 1 144 144 GLU HA H 144 4.084 4.084 4.018 0.066 18250 805 1 . 1 1 144 144 GLU C C 144 176.785 176.785 177.701 -0.916 18250 806 1 . 1 1 144 144 GLU CA C 144 57.902 57.902 58.462 -0.560 18250 807 1 . 1 1 144 144 GLU CB C 144 29.915 29.915 29.308 0.607 18250 808 1 . 1 1 144 144 GLU H H 144 7.646 7.646 7.802 -0.156 18250 809 1 . 1 1 145 145 ASN N N 145 116.904 116.904 115.299 1.605 18250 810 1 . 1 1 145 145 ASN HA H 145 4.454 4.454 4.605 -0.151 18250 811 1 . 1 1 145 145 ASN C C 145 173.890 173.890 175.153 -1.263 18250 812 1 . 1 1 145 145 ASN CA C 145 53.652 53.652 53.069 0.582 18250 813 1 . 1 1 145 145 ASN CB C 145 38.204 38.204 38.920 -0.717 18250 814 1 . 1 1 145 145 ASN H H 145 7.195 7.195 7.397 -0.202 18250 815 1 . 1 1 146 146 GLY N N 146 105.175 105.175 106.883 -1.708 18250 816 1 . 1 1 146 146 GLY C C 146 175.977 175.977 174.066 1.911 18250 817 1 . 1 1 146 146 GLY CA C 146 45.723 45.723 44.876 0.847 18250 818 1 . 1 1 146 146 GLY H H 146 7.438 7.438 7.938 -0.501 18250 819 1 . 1 1 147 147 GLY N N 147 108.769 108.769 108.117 0.652 18250 820 1 . 1 1 147 147 GLY C C 147 173.367 173.367 174.989 -1.622 18250 821 1 . 1 1 147 147 GLY CA C 147 44.532 44.532 44.459 0.073 18250 822 1 . 1 1 147 147 GLY H H 147 8.580 8.580 7.708 0.872 18250 823 1 . 1 1 148 148 TRP N N 148 118.433 118.433 122.464 -4.031 18250 824 1 . 1 1 148 148 TRP HA H 148 4.431 4.431 4.452 -0.021 18250 825 1 . 1 1 148 148 TRP C C 148 178.434 178.434 177.546 0.888 18250 826 1 . 1 1 148 148 TRP CA C 148 60.558 60.558 60.164 0.394 18250 827 1 . 1 1 148 148 TRP CB C 148 29.872 29.872 29.620 0.252 18250 828 1 . 1 1 148 148 TRP H H 148 8.715 8.715 8.650 0.064 18250 829 1 . 1 1 149 149 ASP N N 149 118.214 118.214 118.057 0.157 18250 830 1 . 1 1 149 149 ASP HA H 149 4.446 4.446 4.343 0.103 18250 831 1 . 1 1 149 149 ASP C C 149 179.629 179.629 178.076 1.553 18250 832 1 . 1 1 149 149 ASP CA C 149 57.850 57.850 57.488 0.362 18250 833 1 . 1 1 149 149 ASP CB C 149 40.379 40.379 40.162 0.217 18250 834 1 . 1 1 149 149 ASP H H 149 8.897 8.897 8.825 0.073 18250 835 1 . 1 1 150 150 THR N N 150 117.183 117.183 115.978 1.205 18250 836 1 . 1 1 150 150 THR HA H 150 4.010 4.010 3.993 0.017 18250 837 1 . 1 1 150 150 THR C C 150 175.220 175.220 175.826 -0.606 18250 838 1 . 1 1 150 150 THR CA C 150 66.376 66.376 65.960 0.416 18250 839 1 . 1 1 150 150 THR CB C 150 68.344 68.344 68.733 -0.389 18250 840 1 . 1 1 150 150 THR H H 150 7.632 7.632 7.567 0.065 18250 841 1 . 1 1 151 151 PHE N N 151 122.603 122.603 121.784 0.819 18250 842 1 . 1 1 151 151 PHE HA H 151 4.423 4.423 3.595 0.828 18250 843 1 . 1 1 151 151 PHE C C 151 176.703 176.703 176.621 0.082 18250 844 1 . 1 1 151 151 PHE CA C 151 61.847 61.847 60.149 1.698 18250 845 1 . 1 1 151 151 PHE CB C 151 37.952 37.952 38.712 -0.760 18250 846 1 . 1 1 151 151 PHE H H 151 6.638 6.638 7.097 -0.459 18250 847 1 . 1 1 152 152 VAL N N 152 117.675 117.675 118.611 -0.936 18250 848 1 . 1 1 152 152 VAL HA H 152 3.065 3.065 3.389 -0.324 18250 849 1 . 1 1 152 152 VAL C C 152 178.313 178.313 177.934 0.379 18250 850 1 . 1 1 152 152 VAL CA C 152 66.780 66.780 66.320 0.460 18250 851 1 . 1 1 152 152 VAL CB C 152 31.889 31.889 31.296 0.593 18250 852 1 . 1 1 152 152 VAL H H 152 7.840 7.840 8.608 -0.768 18250 853 1 . 1 1 153 153 GLU N N 153 120.159 120.159 119.494 0.665 18250 854 1 . 1 1 153 153 GLU HA H 153 3.925 3.925 3.980 -0.055 18250 855 1 . 1 1 153 153 GLU C C 153 178.157 178.157 178.469 -0.312 18250 856 1 . 1 1 153 153 GLU CA C 153 59.292 59.292 58.913 0.380 18250 857 1 . 1 1 153 153 GLU CB C 153 29.569 29.569 29.408 0.160 18250 858 1 . 1 1 153 153 GLU H H 153 7.484 7.484 7.699 -0.215 18250 859 1 . 1 1 154 154 LEU N N 154 117.518 117.518 118.372 -0.854 18250 860 1 . 1 1 154 154 LEU HA H 154 4.054 4.054 3.905 0.149 18250 861 1 . 1 1 154 154 LEU C C 154 178.563 178.563 178.022 0.541 18250 862 1 . 1 1 154 154 LEU CA C 154 56.844 56.844 56.784 0.059 18250 863 1 . 1 1 154 154 LEU CB C 154 43.739 43.739 42.133 1.606 18250 864 1 . 1 1 154 154 LEU H H 154 7.701 7.701 7.253 0.448 18250 865 1 . 1 1 155 155 TYR N N 155 116.466 116.466 114.416 2.050 18250 866 1 . 1 1 155 155 TYR HA H 155 4.227 4.227 4.484 -0.257 18250 867 1 . 1 1 155 155 TYR C C 155 176.835 176.835 175.676 1.159 18250 868 1 . 1 1 155 155 TYR CA C 155 59.639 59.639 57.511 2.128 18250 869 1 . 1 1 155 155 TYR CB C 155 38.891 38.891 38.740 0.151 18250 870 1 . 1 1 155 155 TYR H H 155 8.210 8.210 7.346 0.864 18250 871 1 . 1 1 156 156 GLY N N 156 108.677 108.677 108.301 0.376 18250 872 1 . 1 1 156 156 GLY C C 156 173.893 173.893 174.083 -0.190 18250 873 1 . 1 1 156 156 GLY CA C 156 45.627 45.627 44.492 1.135 18250 874 1 . 1 1 156 156 GLY H H 156 8.125 8.125 7.488 0.637 18250 875 1 . 1 1 157 157 ASN N N 157 118.537 118.537 121.240 -2.703 18250 876 1 . 1 1 157 157 ASN HA H 157 4.640 4.640 4.467 0.173 18250 877 1 . 1 1 157 157 ASN C C 157 175.436 175.436 176.695 -1.259 18250 878 1 . 1 1 157 157 ASN CA C 157 53.482 53.482 55.618 -2.136 18250 879 1 . 1 1 157 157 ASN CB C 157 38.726 38.726 38.802 -0.076 18250 880 1 . 1 1 157 157 ASN H H 157 8.429 8.429 8.417 0.012 18250 881 1 . 1 1 158 158 ASN N N 158 119.251 119.251 118.641 0.610 18250 882 1 . 1 1 158 158 ASN HA H 158 4.634 4.634 4.479 0.154 18250 883 1 . 1 1 158 158 ASN C C 158 175.574 175.574 176.566 -0.991 18250 884 1 . 1 1 158 158 ASN CA C 158 53.845 53.845 56.020 -2.175 18250 885 1 . 1 1 158 158 ASN CB C 158 38.841 38.841 38.030 0.811 18250 886 1 . 1 1 158 158 ASN H H 158 8.444 8.444 8.447 -0.003 18250 887 1 . 1 1 159 159 ALA N N 159 123.557 123.557 122.136 1.421 18250 888 1 . 1 1 159 159 ALA HA H 159 4.185 4.185 4.071 0.114 18250 889 1 . 1 1 159 159 ALA C C 159 178.451 178.451 179.142 -0.691 18250 890 1 . 1 1 159 159 ALA CA C 159 53.732 53.732 54.619 -0.887 18250 891 1 . 1 1 159 159 ALA CB C 159 18.793 18.793 18.258 0.536 18250 892 1 . 1 1 159 159 ALA H H 159 8.216 8.216 7.831 0.385 18250 893 1 . 1 1 160 160 ALA N N 160 121.918 121.918 120.652 1.266 18250 894 1 . 1 1 160 160 ALA HA H 160 4.236 4.236 4.043 0.193 18250 895 1 . 1 1 160 160 ALA C C 160 178.493 178.493 179.162 -0.669 18250 896 1 . 1 1 160 160 ALA CA C 160 53.131 53.131 54.432 -1.301 18250 897 1 . 1 1 160 160 ALA CB C 160 18.623 18.623 18.416 0.207 18250 898 1 . 1 1 160 160 ALA H H 160 8.159 8.159 7.980 0.179 18250 899 1 . 1 1 161 161 ALA N N 161 122.552 122.552 120.219 2.333 18250 900 1 . 1 1 161 161 ALA HA H 161 4.160 4.160 4.050 0.110 18250 901 1 . 1 1 161 161 ALA C C 161 178.993 178.993 179.590 -0.597 18250 902 1 . 1 1 161 161 ALA CA C 161 53.807 53.807 54.611 -0.804 18250 903 1 . 1 1 161 161 ALA CB C 161 18.845 18.845 18.405 0.440 18250 904 1 . 1 1 161 161 ALA H H 161 8.054 8.054 7.918 0.136 18250 905 1 . 1 1 162 162 GLU N N 162 118.709 118.709 118.101 0.608 18250 906 1 . 1 1 162 162 GLU HA H 162 4.175 4.175 4.094 0.081 18250 907 1 . 1 1 162 162 GLU C C 162 177.630 177.630 178.574 -0.944 18250 908 1 . 1 1 162 162 GLU CA C 162 57.788 57.788 58.646 -0.858 18250 909 1 . 1 1 162 162 GLU CB C 162 29.767 29.767 29.336 0.431 18250 910 1 . 1 1 162 162 GLU H H 162 8.330 8.330 7.959 0.372 18250 911 1 . 1 1 163 163 SER N N 163 115.336 115.336 114.721 0.615 18250 912 1 . 1 1 163 163 SER HA H 163 4.378 4.378 4.371 0.007 18250 913 1 . 1 1 163 163 SER C C 163 175.241 175.241 175.908 -0.667 18250 914 1 . 1 1 163 163 SER CA C 163 59.419 59.419 60.099 -0.680 18250 915 1 . 1 1 163 163 SER CB C 163 63.456 63.456 63.231 0.225 18250 916 1 . 1 1 163 163 SER H H 163 8.122 8.122 8.090 0.032 18250 917 1 . 1 1 164 164 ARG N N 164 121.905 121.905 121.632 0.273 18250 918 1 . 1 1 164 164 ARG HA H 164 4.328 4.328 4.170 0.158 18250 919 1 . 1 1 164 164 ARG C C 164 176.812 176.812 177.692 -0.880 18250 920 1 . 1 1 164 164 ARG CA C 164 56.772 56.772 58.347 -1.575 18250 921 1 . 1 1 164 164 ARG CB C 164 30.508 30.508 30.087 0.421 18250 922 1 . 1 1 164 164 ARG H H 164 8.054 8.054 7.672 0.382 18250 923 1 . 1 1 165 165 LYS N N 165 121.165 121.165 118.967 2.198 18250 924 1 . 1 1 165 165 LYS HA H 165 4.247 4.247 4.188 0.059 18250 925 1 . 1 1 165 165 LYS C C 165 177.580 177.580 178.217 -0.637 18250 926 1 . 1 1 165 165 LYS CA C 165 57.272 57.272 58.523 -1.251 18250 927 1 . 1 1 165 165 LYS CB C 165 32.845 32.845 31.889 0.956 18250 928 1 . 1 1 165 165 LYS H H 165 8.111 8.111 7.749 0.362 18250 929 1 . 1 1 166 166 GLY N N 166 109.466 109.466 107.566 1.900 18250 930 1 . 1 1 166 166 GLY C C 166 174.696 174.696 175.689 -0.993 18250 931 1 . 1 1 166 166 GLY CA C 166 45.691 45.691 46.399 -0.708 18250 932 1 . 1 1 166 166 GLY H H 166 8.444 8.444 8.102 0.342 18250 933 1 . 1 1 167 167 GLN N N 167 119.704 119.704 121.148 -1.444 18250 934 1 . 1 1 167 167 GLN HA H 167 4.342 4.342 4.041 0.301 18250 935 1 . 1 1 167 167 GLN C C 167 176.093 176.093 178.060 -1.967 18250 936 1 . 1 1 167 167 GLN CA C 167 56.161 56.161 58.722 -2.561 18250 937 1 . 1 1 167 167 GLN CB C 167 29.403 29.403 28.380 1.023 18250 938 1 . 1 1 167 167 GLN H H 167 8.143 8.143 7.874 0.269 18250 939 1 . 1 1 168 168 GLU N N 168 121.765 121.765 118.888 2.877 18250 940 1 . 1 1 168 168 GLU HA H 168 4.224 4.224 4.047 0.177 18250 941 1 . 1 1 168 168 GLU C C 168 176.750 176.750 178.541 -1.791 18250 942 1 . 1 1 168 168 GLU CA C 168 57.344 57.344 58.864 -1.520 18250 943 1 . 1 1 168 168 GLU CB C 168 29.990 29.990 29.278 0.712 18250 944 1 . 1 1 168 168 GLU H H 168 8.526 8.526 8.068 0.458 18250 945 1 . 1 1 169 169 ARG N N 169 121.114 121.114 118.306 2.808 18250 946 1 . 1 1 169 169 ARG HA H 169 4.291 4.291 4.222 0.069 18250 947 1 . 1 1 169 169 ARG C C 169 177.587 177.587 178.048 -0.461 18250 948 1 . 1 1 169 169 ARG CA C 169 56.338 56.338 58.081 -1.743 18250 949 1 . 1 1 169 169 ARG CB C 169 30.516 30.516 30.209 0.307 18250 950 1 . 1 1 169 169 ARG H H 169 8.284 8.284 7.640 0.644 18250 951 1 . 1 1 170 170 LEU N N 170 122.853 122.853 119.494 3.359 18250 952 1 . 1 1 170 170 LEU HA H 170 4.399 4.399 4.197 0.202 18250 953 1 . 1 1 170 170 LEU C C 170 177.364 177.364 178.036 -0.672 18250 954 1 . 1 1 170 170 LEU CA C 170 55.290 55.290 57.177 -1.887 18250 955 1 . 1 1 170 170 LEU CB C 170 42.424 42.424 42.101 0.323 18250 956 1 . 1 1 170 170 LEU H H 170 8.181 8.181 7.842 0.339 18250 957 1 . 1 1 171 171 GLU N N 171 120.823 120.823 116.924 3.899 18250 958 1 . 1 1 171 171 GLU C C 171 176.255 176.255 177.114 -0.859 18250 959 1 . 1 1 171 171 GLU CA C 171 56.725 56.725 57.460 -0.735 18250 960 1 . 1 1 171 171 GLU CB C 171 30.289 30.289 29.943 0.346 18250 961 1 . 1 1 171 171 GLU H H 171 8.352 8.352 7.895 0.457 18250 stop_ save_