data_19302 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19302 _Entry.PDB_ID 2M9M 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 19302 _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 GLU N N 2 123.078 123.078 121.199 1.879 19302 2 1 1 . 1 1 2 2 GLU HA H 2 4.160 4.160 4.287 -0.127 19302 3 1 1 . 1 1 2 2 GLU C C 2 175.765 175.765 176.355 -0.590 19302 4 1 1 . 1 1 2 2 GLU CA C 2 56.353 56.353 56.763 -0.410 19302 5 1 1 . 1 1 2 2 GLU CB C 2 30.041 30.041 29.905 0.136 19302 6 1 1 . 1 1 2 2 GLU H H 2 8.313 8.313 8.485 -0.172 19302 7 1 1 . 1 1 3 3 LYS N N 3 124.091 124.091 120.000 4.091 19302 8 1 1 . 1 1 3 3 LYS HA H 3 4.013 4.013 4.454 -0.441 19302 9 1 1 . 1 1 3 3 LYS C C 3 174.713 174.713 175.731 -1.018 19302 10 1 1 . 1 1 3 3 LYS CA C 3 56.240 56.240 55.801 0.439 19302 11 1 1 . 1 1 3 3 LYS CB C 3 33.400 33.400 33.719 -0.319 19302 12 1 1 . 1 1 3 3 LYS H H 3 8.243 8.243 7.887 0.356 19302 13 1 1 . 1 1 4 4 ASN N N 4 121.184 121.184 118.283 2.901 19302 14 1 1 . 1 1 4 4 ASN C C 4 172.940 172.940 173.328 -0.388 19302 15 1 1 . 1 1 4 4 ASN CA C 4 50.404 50.404 50.925 -0.520 19302 16 1 1 . 1 1 4 4 ASN CB C 4 41.212 41.212 39.703 1.508 19302 17 1 1 . 1 1 4 4 ASN H H 4 8.086 8.086 8.411 -0.325 19302 18 1 1 . 1 1 6 6 PRO HA H 6 4.222 4.222 4.417 -0.195 19302 19 1 1 . 1 1 6 6 PRO C C 6 176.390 176.390 175.807 0.583 19302 20 1 1 . 1 1 6 6 PRO CA C 6 63.267 63.267 62.864 0.403 19302 21 1 1 . 1 1 6 6 PRO CB C 6 32.008 32.008 32.376 -0.368 19302 22 1 1 . 1 1 7 7 ASP N N 7 120.412 120.412 120.957 -0.545 19302 23 1 1 . 1 1 7 7 ASP HA H 7 4.402 4.402 4.691 -0.289 19302 24 1 1 . 1 1 7 7 ASP C C 7 175.911 175.911 175.326 0.585 19302 25 1 1 . 1 1 7 7 ASP CA C 7 54.248 54.248 53.211 1.037 19302 26 1 1 . 1 1 7 7 ASP CB C 7 41.210 41.210 40.314 0.896 19302 27 1 1 . 1 1 7 7 ASP H H 7 8.175 8.175 8.340 -0.165 19302 28 1 1 . 1 1 8 8 ASP N N 8 121.448 121.448 120.482 0.966 19302 29 1 1 . 1 1 8 8 ASP HA H 8 4.554 4.554 4.370 0.184 19302 30 1 1 . 1 1 8 8 ASP C C 8 176.334 176.334 176.439 -0.105 19302 31 1 1 . 1 1 8 8 ASP CA C 8 54.240 54.240 54.994 -0.754 19302 32 1 1 . 1 1 8 8 ASP CB C 8 41.354 41.354 40.620 0.734 19302 33 1 1 . 1 1 8 8 ASP H H 8 8.080 8.080 7.980 0.100 19302 34 1 1 . 1 1 9 9 THR N N 9 114.376 114.376 112.393 1.983 19302 35 1 1 . 1 1 9 9 THR HA H 9 4.170 4.170 4.207 -0.037 19302 36 1 1 . 1 1 9 9 THR C C 9 174.565 174.565 174.412 0.153 19302 37 1 1 . 1 1 9 9 THR CA C 9 62.018 62.018 63.204 -1.186 19302 38 1 1 . 1 1 9 9 THR CB C 9 69.655 69.655 69.550 0.105 19302 39 1 1 . 1 1 9 9 THR H H 9 7.982 7.982 8.055 -0.073 19302 40 1 1 . 1 1 10 10 GLY N N 10 111.726 111.726 110.858 0.868 19302 41 1 1 . 1 1 10 10 GLY C C 10 171.287 171.287 172.044 -0.757 19302 42 1 1 . 1 1 10 10 GLY CA C 10 44.627 44.627 44.852 -0.225 19302 43 1 1 . 1 1 10 10 GLY H H 10 8.051 8.051 7.924 0.127 19302 44 1 1 . 1 1 11 11 PRO HA H 11 4.298 4.298 4.565 -0.267 19302 45 1 1 . 1 1 11 11 PRO C C 11 176.417 176.417 176.003 0.414 19302 46 1 1 . 1 1 11 11 PRO CA C 11 63.173 63.173 62.307 0.866 19302 47 1 1 . 1 1 11 11 PRO CB C 11 32.419 32.419 31.856 0.563 19302 48 1 1 . 1 1 12 12 VAL N N 12 120.990 120.990 122.771 -1.781 19302 49 1 1 . 1 1 12 12 VAL HA H 12 3.757 3.757 3.989 -0.232 19302 50 1 1 . 1 1 12 12 VAL C C 12 174.604 174.604 176.525 -1.921 19302 51 1 1 . 1 1 12 12 VAL CA C 12 61.747 61.747 63.436 -1.689 19302 52 1 1 . 1 1 12 12 VAL CB C 12 33.506 33.506 31.134 2.372 19302 53 1 1 . 1 1 12 12 VAL H H 12 7.667 7.667 8.312 -0.645 19302 54 1 1 . 1 1 13 13 HIS N N 13 123.020 123.020 117.990 5.030 19302 55 1 1 . 1 1 13 13 HIS HA H 13 4.387 4.387 4.757 -0.370 19302 56 1 1 . 1 1 13 13 HIS C C 13 173.601 173.601 175.316 -1.715 19302 57 1 1 . 1 1 13 13 HIS CA C 13 55.731 55.731 55.385 0.346 19302 58 1 1 . 1 1 13 13 HIS CB C 13 30.039 30.039 28.978 1.061 19302 59 1 1 . 1 1 13 13 HIS H H 13 8.088 8.088 7.917 0.171 19302 60 1 1 . 1 1 14 14 VAL N N 14 126.633 126.633 120.270 6.363 19302 61 1 1 . 1 1 14 14 VAL HA H 14 3.941 3.941 4.010 -0.069 19302 62 1 1 . 1 1 14 14 VAL C C 14 173.591 173.591 174.289 -0.698 19302 63 1 1 . 1 1 14 14 VAL CA C 14 59.095 59.095 64.364 -5.269 19302 64 1 1 . 1 1 14 14 VAL CB C 14 32.976 32.976 31.489 1.487 19302 65 1 1 . 1 1 14 14 VAL H H 14 8.128 8.128 8.024 0.104 19302 66 1 1 . 1 1 15 15 PRO HA H 15 4.042 4.042 3.871 0.171 19302 67 1 1 . 1 1 15 15 PRO C C 15 175.581 175.581 177.163 -1.582 19302 68 1 1 . 1 1 15 15 PRO CA C 15 62.314 62.314 64.071 -1.757 19302 69 1 1 . 1 1 15 15 PRO CB C 15 31.352 31.352 31.017 0.335 19302 70 1 1 . 1 1 16 16 LEU N N 16 122.170 122.170 118.799 3.371 19302 71 1 1 . 1 1 16 16 LEU HA H 16 4.073 4.073 4.240 -0.167 19302 72 1 1 . 1 1 16 16 LEU C C 16 180.683 180.683 178.198 2.485 19302 73 1 1 . 1 1 16 16 LEU CA C 16 56.442 56.442 56.761 -0.319 19302 74 1 1 . 1 1 16 16 LEU CB C 16 41.855 41.855 42.003 -0.148 19302 75 1 1 . 1 1 16 16 LEU H H 16 8.070 8.070 7.290 0.780 19302 76 1 1 . 1 1 17 17 GLY N N 17 114.931 114.931 106.841 8.090 19302 77 1 1 . 1 1 17 17 GLY C C 17 173.075 173.075 172.946 0.129 19302 78 1 1 . 1 1 17 17 GLY CA C 17 45.757 45.757 44.555 1.202 19302 79 1 1 . 1 1 17 17 GLY H H 17 9.325 9.325 8.511 0.814 19302 80 1 1 . 1 1 18 18 HIS N N 18 117.638 117.638 120.842 -3.204 19302 81 1 1 . 1 1 18 18 HIS HA H 18 5.386 5.386 5.000 0.386 19302 82 1 1 . 1 1 18 18 HIS C C 18 173.186 173.186 172.816 0.370 19302 83 1 1 . 1 1 18 18 HIS CA C 18 54.007 54.007 53.779 0.228 19302 84 1 1 . 1 1 18 18 HIS CB C 18 31.691 31.691 31.600 0.091 19302 85 1 1 . 1 1 18 18 HIS H H 18 7.803 7.803 8.171 -0.368 19302 86 1 1 . 1 1 19 19 ILE N N 19 114.669 114.669 120.367 -5.698 19302 87 1 1 . 1 1 19 19 ILE HA H 19 4.372 4.372 4.556 -0.184 19302 88 1 1 . 1 1 19 19 ILE C C 19 174.449 174.449 174.918 -0.469 19302 89 1 1 . 1 1 19 19 ILE CA C 19 60.368 60.368 59.447 0.921 19302 90 1 1 . 1 1 19 19 ILE CB C 19 42.044 42.044 40.297 1.748 19302 91 1 1 . 1 1 19 19 ILE H H 19 8.059 8.059 7.964 0.095 19302 92 1 1 . 1 1 20 20 VAL N N 20 124.211 124.211 124.845 -0.634 19302 93 1 1 . 1 1 20 20 VAL HA H 20 4.730 4.730 5.049 -0.319 19302 94 1 1 . 1 1 20 20 VAL C C 20 174.104 174.104 175.359 -1.255 19302 95 1 1 . 1 1 20 20 VAL CA C 20 61.322 61.322 59.866 1.456 19302 96 1 1 . 1 1 20 20 VAL CB C 20 33.255 33.255 32.796 0.459 19302 97 1 1 . 1 1 20 20 VAL H H 20 7.525 7.525 8.472 -0.947 19302 98 1 1 . 1 1 21 21 ALA N N 21 131.125 131.125 126.015 5.110 19302 99 1 1 . 1 1 21 21 ALA HA H 21 5.095 5.095 5.098 -0.003 19302 100 1 1 . 1 1 21 21 ALA C C 21 175.389 175.389 176.046 -0.657 19302 101 1 1 . 1 1 21 21 ALA CA C 21 49.175 49.175 50.176 -1.001 19302 102 1 1 . 1 1 21 21 ALA CB C 21 24.297 24.297 22.780 1.517 19302 103 1 1 . 1 1 21 21 ALA H H 21 9.395 9.395 9.088 0.307 19302 104 1 1 . 1 1 22 22 ASN N N 22 120.999 120.999 124.013 -3.014 19302 105 1 1 . 1 1 22 22 ASN HA H 22 4.805 4.805 4.644 0.161 19302 106 1 1 . 1 1 22 22 ASN C C 22 176.336 176.336 176.330 0.006 19302 107 1 1 . 1 1 22 22 ASN CA C 22 54.289 54.289 53.623 0.666 19302 108 1 1 . 1 1 22 22 ASN CB C 22 39.822 39.822 38.764 1.058 19302 109 1 1 . 1 1 22 22 ASN H H 22 8.345 8.345 8.157 0.188 19302 110 1 1 . 1 1 23 23 GLU N N 23 128.726 128.726 126.815 1.911 19302 111 1 1 . 1 1 23 23 GLU HA H 23 3.927 3.927 4.080 -0.153 19302 112 1 1 . 1 1 23 23 GLU C C 23 176.348 176.348 178.597 -2.249 19302 113 1 1 . 1 1 23 23 GLU CA C 23 59.171 59.171 59.742 -0.570 19302 114 1 1 . 1 1 23 23 GLU CB C 23 30.365 30.365 29.975 0.390 19302 115 1 1 . 1 1 23 23 GLU H H 23 7.951 7.951 8.301 -0.350 19302 116 1 1 . 1 1 24 24 LYS N N 24 119.166 119.166 120.029 -0.863 19302 117 1 1 . 1 1 24 24 LYS HA H 24 3.895 3.895 4.134 -0.239 19302 118 1 1 . 1 1 24 24 LYS C C 24 176.782 176.782 177.779 -0.997 19302 119 1 1 . 1 1 24 24 LYS CA C 24 58.379 58.379 58.999 -0.620 19302 120 1 1 . 1 1 24 24 LYS CB C 24 30.846 30.846 32.304 -1.458 19302 121 1 1 . 1 1 24 24 LYS H H 24 8.583 8.583 7.771 0.812 19302 122 1 1 . 1 1 25 25 TRP N N 25 118.053 118.053 117.239 0.814 19302 123 1 1 . 1 1 25 25 TRP HA H 25 4.326 4.326 4.428 -0.102 19302 124 1 1 . 1 1 25 25 TRP C C 25 177.280 177.280 175.436 1.844 19302 125 1 1 . 1 1 25 25 TRP CA C 25 56.722 56.722 57.569 -0.847 19302 126 1 1 . 1 1 25 25 TRP CB C 25 29.506 29.506 28.576 0.930 19302 127 1 1 . 1 1 25 25 TRP H H 25 8.169 8.169 8.383 -0.214 19302 128 1 1 . 1 1 26 26 ARG N N 26 127.838 127.838 119.369 8.469 19302 129 1 1 . 1 1 26 26 ARG HA H 26 3.302 3.302 4.347 -1.045 19302 130 1 1 . 1 1 26 26 ARG C C 26 177.506 177.506 178.487 -0.981 19302 131 1 1 . 1 1 26 26 ARG CA C 26 59.147 59.147 57.675 1.472 19302 132 1 1 . 1 1 26 26 ARG CB C 26 29.305 29.305 30.910 -1.605 19302 133 1 1 . 1 1 26 26 ARG H H 26 7.879 7.879 7.309 0.570 19302 134 1 1 . 1 1 27 27 GLY N N 27 116.455 116.455 110.132 6.323 19302 135 1 1 . 1 1 27 27 GLY C C 27 174.037 174.037 173.583 0.454 19302 136 1 1 . 1 1 27 27 GLY CA C 27 45.513 45.513 45.152 0.361 19302 137 1 1 . 1 1 27 27 GLY H H 27 8.968 8.968 7.812 1.156 19302 138 1 1 . 1 1 28 28 SER N N 28 115.316 115.316 114.655 0.661 19302 139 1 1 . 1 1 28 28 SER HA H 28 4.357 4.357 4.413 -0.056 19302 140 1 1 . 1 1 28 28 SER C C 28 174.705 174.705 174.897 -0.192 19302 141 1 1 . 1 1 28 28 SER CA C 28 58.055 58.055 56.779 1.276 19302 142 1 1 . 1 1 28 28 SER CB C 28 65.852 65.852 65.333 0.519 19302 143 1 1 . 1 1 28 28 SER H H 28 7.718 7.718 7.660 0.058 19302 144 1 1 . 1 1 29 29 GLN N N 29 124.252 124.252 121.606 2.646 19302 145 1 1 . 1 1 29 29 GLN HA H 29 3.940 3.940 4.167 -0.227 19302 146 1 1 . 1 1 29 29 GLN C C 29 178.221 178.221 177.704 0.517 19302 147 1 1 . 1 1 29 29 GLN CA C 29 59.678 59.678 58.175 1.503 19302 148 1 1 . 1 1 29 29 GLN CB C 29 27.932 27.932 28.648 -0.716 19302 149 1 1 . 1 1 29 29 GLN H H 29 8.987 8.987 8.763 0.224 19302 150 1 1 . 1 1 30 30 LEU N N 30 119.516 119.516 121.392 -1.876 19302 151 1 1 . 1 1 30 30 LEU HA H 30 3.649 3.649 4.099 -0.450 19302 152 1 1 . 1 1 30 30 LEU C C 30 177.674 177.674 178.148 -0.474 19302 153 1 1 . 1 1 30 30 LEU CA C 30 59.240 59.240 57.141 2.099 19302 154 1 1 . 1 1 30 30 LEU CB C 30 42.377 42.377 41.253 1.124 19302 155 1 1 . 1 1 30 30 LEU H H 30 8.469 8.469 7.569 0.900 19302 156 1 1 . 1 1 31 31 ALA N N 31 118.887 118.887 120.590 -1.703 19302 157 1 1 . 1 1 31 31 ALA HA H 31 3.787 3.787 3.925 -0.138 19302 158 1 1 . 1 1 31 31 ALA C C 31 179.914 179.914 179.613 0.301 19302 159 1 1 . 1 1 31 31 ALA CA C 31 55.346 55.346 55.166 0.180 19302 160 1 1 . 1 1 31 31 ALA CB C 31 18.725 18.725 17.991 0.734 19302 161 1 1 . 1 1 31 31 ALA H H 31 7.965 7.965 7.821 0.144 19302 162 1 1 . 1 1 32 32 GLN N N 32 119.187 119.187 117.116 2.071 19302 163 1 1 . 1 1 32 32 GLN HA H 32 3.874 3.874 4.096 -0.222 19302 164 1 1 . 1 1 32 32 GLN C C 32 179.160 179.160 178.590 0.570 19302 165 1 1 . 1 1 32 32 GLN CA C 32 59.072 59.072 58.613 0.459 19302 166 1 1 . 1 1 32 32 GLN CB C 32 28.676 28.676 28.395 0.281 19302 167 1 1 . 1 1 32 32 GLN H H 32 8.292 8.292 7.770 0.522 19302 168 1 1 . 1 1 33 33 GLU N N 33 117.845 117.845 120.626 -2.781 19302 169 1 1 . 1 1 33 33 GLU HA H 33 3.932 3.932 3.918 0.014 19302 170 1 1 . 1 1 33 33 GLU C C 33 178.487 178.487 179.009 -0.522 19302 171 1 1 . 1 1 33 33 GLU CA C 33 57.948 57.948 59.250 -1.302 19302 172 1 1 . 1 1 33 33 GLU CB C 33 29.221 29.221 29.218 0.003 19302 173 1 1 . 1 1 33 33 GLU H H 33 8.157 8.157 8.246 -0.089 19302 174 1 1 . 1 1 34 34 MET N N 34 116.546 116.546 116.613 -0.067 19302 175 1 1 . 1 1 34 34 MET HA H 34 3.911 3.911 3.950 -0.039 19302 176 1 1 . 1 1 34 34 MET C C 34 176.992 176.992 177.753 -0.761 19302 177 1 1 . 1 1 34 34 MET CA C 34 58.485 58.485 59.390 -0.905 19302 178 1 1 . 1 1 34 34 MET CB C 34 34.045 34.045 32.217 1.828 19302 179 1 1 . 1 1 34 34 MET H H 34 7.452 7.452 7.540 -0.088 19302 180 1 1 . 1 1 35 35 GLN N N 35 118.259 118.259 115.882 2.377 19302 181 1 1 . 1 1 35 35 GLN HA H 35 4.219 4.219 4.526 -0.307 19302 182 1 1 . 1 1 35 35 GLN C C 35 176.544 176.544 177.905 -1.361 19302 183 1 1 . 1 1 35 35 GLN CA C 35 58.039 58.039 57.021 1.018 19302 184 1 1 . 1 1 35 35 GLN CB C 35 28.381 28.381 27.747 0.634 19302 185 1 1 . 1 1 35 35 GLN H H 35 7.605 7.605 7.734 -0.129 19302 186 1 1 . 1 1 36 36 GLY N N 36 110.354 110.354 106.896 3.458 19302 187 1 1 . 1 1 36 36 GLY C C 36 174.291 174.291 174.472 -0.181 19302 188 1 1 . 1 1 36 36 GLY CA C 36 45.517 45.517 45.447 0.070 19302 189 1 1 . 1 1 36 36 GLY H H 36 8.178 8.178 8.591 -0.413 19302 190 1 1 . 1 1 37 37 LYS N N 37 119.406 119.406 118.250 1.156 19302 191 1 1 . 1 1 37 37 LYS HA H 37 4.254 4.254 4.441 -0.187 19302 192 1 1 . 1 1 37 37 LYS C C 37 175.387 175.387 175.772 -0.385 19302 193 1 1 . 1 1 37 37 LYS CA C 37 57.173 57.173 56.441 0.731 19302 194 1 1 . 1 1 37 37 LYS CB C 37 35.261 35.261 35.807 -0.546 19302 195 1 1 . 1 1 37 37 LYS H H 37 7.837 7.837 7.805 0.032 19302 196 1 1 . 1 1 38 38 ILE N N 38 118.201 118.201 120.990 -2.789 19302 197 1 1 . 1 1 38 38 ILE HA H 38 4.138 4.138 4.308 -0.170 19302 198 1 1 . 1 1 38 38 ILE C C 38 172.937 172.937 173.845 -0.908 19302 199 1 1 . 1 1 38 38 ILE CA C 38 59.055 59.055 58.897 0.158 19302 200 1 1 . 1 1 38 38 ILE CB C 38 41.631 41.631 41.069 0.562 19302 201 1 1 . 1 1 38 38 ILE H H 38 7.821 7.821 7.982 -0.161 19302 202 1 1 . 1 1 39 39 LYS N N 39 122.826 122.826 124.690 -1.864 19302 203 1 1 . 1 1 39 39 LYS HA H 39 4.187 4.187 4.508 -0.321 19302 204 1 1 . 1 1 39 39 LYS C C 39 174.751 174.751 174.596 0.155 19302 205 1 1 . 1 1 39 39 LYS CA C 39 55.865 55.865 56.206 -0.341 19302 206 1 1 . 1 1 39 39 LYS CB C 39 33.007 33.007 33.757 -0.750 19302 207 1 1 . 1 1 39 39 LYS H H 39 7.126 7.126 8.656 -1.530 19302 208 1 1 . 1 1 40 40 LEU N N 40 124.298 124.298 124.357 -0.059 19302 209 1 1 . 1 1 40 40 LEU HA H 40 4.667 4.667 5.185 -0.518 19302 210 1 1 . 1 1 40 40 LEU C C 40 176.473 176.473 175.583 0.890 19302 211 1 1 . 1 1 40 40 LEU CA C 40 54.607 54.607 53.722 0.884 19302 212 1 1 . 1 1 40 40 LEU CB C 40 44.102 44.102 45.293 -1.191 19302 213 1 1 . 1 1 40 40 LEU H H 40 8.102 8.102 8.295 -0.193 19302 214 1 1 . 1 1 41 41 ILE N N 41 124.128 124.128 124.581 -0.453 19302 215 1 1 . 1 1 41 41 ILE HA H 41 4.092 4.092 4.179 -0.087 19302 216 1 1 . 1 1 41 41 ILE C C 41 174.360 174.360 174.377 -0.017 19302 217 1 1 . 1 1 41 41 ILE CA C 41 60.208 60.208 59.939 0.269 19302 218 1 1 . 1 1 41 41 ILE CB C 41 40.867 40.867 41.576 -0.709 19302 219 1 1 . 1 1 41 41 ILE H H 41 8.208 8.208 8.944 -0.736 19302 220 1 1 . 1 1 42 42 PHE N N 42 125.226 125.226 123.560 1.666 19302 221 1 1 . 1 1 42 42 PHE HA H 42 5.501 5.501 5.383 0.118 19302 222 1 1 . 1 1 42 42 PHE C C 42 176.313 176.313 176.141 0.172 19302 223 1 1 . 1 1 42 42 PHE CA C 42 57.720 57.720 56.540 1.180 19302 224 1 1 . 1 1 42 42 PHE CB C 42 41.630 41.630 40.328 1.302 19302 225 1 1 . 1 1 42 42 PHE H H 42 8.636 8.636 8.582 0.054 19302 226 1 1 . 1 1 43 43 GLU N N 43 121.397 121.397 124.503 -3.106 19302 227 1 1 . 1 1 43 43 GLU HA H 43 4.643 4.643 4.682 -0.039 19302 228 1 1 . 1 1 43 43 GLU C C 43 175.211 175.211 175.239 -0.028 19302 229 1 1 . 1 1 43 43 GLU CA C 43 55.131 55.131 55.068 0.063 19302 230 1 1 . 1 1 43 43 GLU CB C 43 33.367 33.367 32.980 0.387 19302 231 1 1 . 1 1 43 43 GLU H H 43 8.589 8.589 8.607 -0.018 19302 232 1 1 . 1 1 44 44 ASP N N 44 124.759 124.759 125.451 -0.692 19302 233 1 1 . 1 1 44 44 ASP HA H 44 4.708 4.708 4.690 0.018 19302 234 1 1 . 1 1 44 44 ASP C C 44 177.308 177.308 176.565 0.743 19302 235 1 1 . 1 1 44 44 ASP CA C 44 53.737 53.737 53.787 -0.050 19302 236 1 1 . 1 1 44 44 ASP CB C 44 42.365 42.365 40.173 2.192 19302 237 1 1 . 1 1 44 44 ASP H H 44 8.729 8.729 8.742 -0.013 19302 238 1 1 . 1 1 45 45 GLY N N 45 108.414 108.414 111.996 -3.582 19302 239 1 1 . 1 1 45 45 GLY C C 45 174.426 174.426 173.944 0.482 19302 240 1 1 . 1 1 45 45 GLY CA C 45 46.367 46.367 44.938 1.429 19302 241 1 1 . 1 1 45 45 GLY H H 45 8.564 8.564 8.624 -0.060 19302 242 1 1 . 1 1 46 46 LEU N N 46 119.025 119.025 122.087 -3.062 19302 243 1 1 . 1 1 46 46 LEU HA H 46 4.356 4.356 4.646 -0.290 19302 244 1 1 . 1 1 46 46 LEU C C 46 177.414 177.414 176.369 1.045 19302 245 1 1 . 1 1 46 46 LEU CA C 46 54.189 54.189 54.342 -0.153 19302 246 1 1 . 1 1 46 46 LEU CB C 46 43.853 43.853 43.164 0.689 19302 247 1 1 . 1 1 46 46 LEU H H 46 7.130 7.130 7.395 -0.265 19302 248 1 1 . 1 1 47 47 THR N N 47 117.926 117.926 115.400 2.526 19302 249 1 1 . 1 1 47 47 THR HA H 47 4.326 4.326 4.461 -0.135 19302 250 1 1 . 1 1 47 47 THR CA C 47 67.458 67.458 62.692 4.766 19302 251 1 1 . 1 1 47 47 THR H H 47 9.042 9.042 8.307 0.735 19302 252 1 1 . 1 1 48 48 PRO HA H 48 4.163 4.163 4.155 0.008 19302 253 1 1 . 1 1 48 48 PRO CA C 48 62.301 62.301 63.231 -0.930 19302 254 1 1 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.046 -0.522 19302 255 1 1 . 1 1 49 49 ASP N N 49 116.671 116.671 118.854 -2.183 19302 256 1 1 . 1 1 49 49 ASP HA H 49 4.336 4.336 4.193 0.143 19302 257 1 1 . 1 1 49 49 ASP C C 49 174.082 174.082 175.256 -1.174 19302 258 1 1 . 1 1 49 49 ASP CA C 49 58.985 58.985 56.362 2.623 19302 259 1 1 . 1 1 49 49 ASP CB C 49 43.773 43.773 41.822 1.951 19302 260 1 1 . 1 1 49 49 ASP H H 49 7.731 7.731 7.926 -0.195 19302 261 1 1 . 1 1 50 50 PHE N N 50 109.227 109.227 115.939 -6.712 19302 262 1 1 . 1 1 50 50 PHE HA H 50 5.488 5.488 5.443 0.045 19302 263 1 1 . 1 1 50 50 PHE C C 50 175.293 175.293 174.533 0.760 19302 264 1 1 . 1 1 50 50 PHE CA C 50 55.516 55.516 56.148 -0.632 19302 265 1 1 . 1 1 50 50 PHE CB C 50 43.280 43.280 41.722 1.558 19302 266 1 1 . 1 1 50 50 PHE H H 50 7.324 7.324 7.749 -0.425 19302 267 1 1 . 1 1 51 51 TYR N N 51 122.688 122.688 123.811 -1.123 19302 268 1 1 . 1 1 51 51 TYR HA H 51 4.717 4.717 4.794 -0.077 19302 269 1 1 . 1 1 51 51 TYR C C 51 174.427 174.427 175.160 -0.733 19302 270 1 1 . 1 1 51 51 TYR CA C 51 59.097 59.097 57.524 1.573 19302 271 1 1 . 1 1 51 51 TYR CB C 51 39.893 39.893 39.110 0.783 19302 272 1 1 . 1 1 51 51 TYR H H 51 9.944 9.944 8.667 1.277 19302 273 1 1 . 1 1 52 52 LEU N N 52 121.948 121.948 128.746 -6.798 19302 274 1 1 . 1 1 52 52 LEU HA H 52 4.231 4.231 4.305 -0.074 19302 275 1 1 . 1 1 52 52 LEU C C 52 175.771 175.771 176.446 -0.675 19302 276 1 1 . 1 1 52 52 LEU CA C 52 55.320 55.320 56.543 -1.223 19302 277 1 1 . 1 1 52 52 LEU CB C 52 42.874 42.874 43.364 -0.490 19302 278 1 1 . 1 1 52 52 LEU H H 52 8.225 8.225 8.294 -0.069 19302 279 1 1 . 1 1 53 53 SER N N 53 111.729 111.729 110.913 0.816 19302 280 1 1 . 1 1 53 53 SER HA H 53 4.267 4.267 4.571 -0.304 19302 281 1 1 . 1 1 53 53 SER C C 53 173.134 173.134 173.312 -0.178 19302 282 1 1 . 1 1 53 53 SER CA C 53 56.843 56.843 57.051 -0.208 19302 283 1 1 . 1 1 53 53 SER CB C 53 64.642 64.642 64.598 0.044 19302 284 1 1 . 1 1 53 53 SER H H 53 8.487 8.487 7.797 0.690 19302 285 1 1 . 1 1 54 54 ASN N N 54 116.204 116.204 118.450 -2.246 19302 286 1 1 . 1 1 54 54 ASN HA H 54 4.388 4.388 4.589 -0.201 19302 287 1 1 . 1 1 54 54 ASN C C 54 175.095 175.095 176.260 -1.165 19302 288 1 1 . 1 1 54 54 ASN CA C 54 55.905 55.905 54.614 1.291 19302 289 1 1 . 1 1 54 54 ASN CB C 54 37.761 37.761 38.562 -0.801 19302 290 1 1 . 1 1 54 54 ASN H H 54 8.682 8.682 8.746 -0.064 19302 291 1 1 . 1 1 55 55 ARG N N 55 112.605 112.605 116.844 -4.239 19302 292 1 1 . 1 1 55 55 ARG HA H 55 4.607 4.607 4.556 0.050 19302 293 1 1 . 1 1 55 55 ARG C C 55 175.506 175.506 174.423 1.083 19302 294 1 1 . 1 1 55 55 ARG CA C 55 55.586 55.586 56.524 -0.938 19302 295 1 1 . 1 1 55 55 ARG CB C 55 31.688 31.688 31.650 0.038 19302 296 1 1 . 1 1 55 55 ARG H H 55 7.783 7.783 8.053 -0.270 19302 297 1 1 . 1 1 56 56 CYS N N 56 122.261 122.261 118.900 3.361 19302 298 1 1 . 1 1 56 56 CYS HA H 56 5.194 5.194 4.842 0.352 19302 299 1 1 . 1 1 56 56 CYS C C 56 172.619 172.619 173.368 -0.749 19302 300 1 1 . 1 1 56 56 CYS CA C 56 58.099 58.099 57.808 0.291 19302 301 1 1 . 1 1 56 56 CYS CB C 56 28.338 28.338 29.002 -0.664 19302 302 1 1 . 1 1 56 56 CYS H H 56 7.379 7.379 8.240 -0.861 19302 303 1 1 . 1 1 57 57 CYS N N 57 124.705 124.705 123.679 1.026 19302 304 1 1 . 1 1 57 57 CYS HA H 57 5.380 5.380 4.820 0.560 19302 305 1 1 . 1 1 57 57 CYS C C 57 160.640 160.640 172.694 -12.054 19302 306 1 1 . 1 1 57 57 CYS CA C 57 54.521 54.521 56.364 -1.843 19302 307 1 1 . 1 1 57 57 CYS CB C 57 32.506 32.506 31.589 0.917 19302 308 1 1 . 1 1 57 57 CYS H H 57 8.980 8.980 8.885 0.095 19302 309 1 1 . 1 1 58 58 ILE N N 58 118.279 118.279 119.981 -1.702 19302 310 1 1 . 1 1 58 58 ILE HA H 58 5.181 5.181 5.169 0.012 19302 311 1 1 . 1 1 58 58 ILE C C 58 175.707 175.707 174.331 1.376 19302 312 1 1 . 1 1 58 58 ILE CA C 58 58.535 58.535 60.170 -1.635 19302 313 1 1 . 1 1 58 58 ILE CB C 58 41.538 41.538 41.392 0.146 19302 314 1 1 . 1 1 58 58 ILE H H 58 8.960 8.960 8.454 0.506 19302 315 1 1 . 1 1 59 59 LEU N N 59 130.422 130.422 127.541 2.881 19302 316 1 1 . 1 1 59 59 LEU HA H 59 4.716 4.716 4.806 -0.090 19302 317 1 1 . 1 1 59 59 LEU C C 59 172.275 172.275 174.606 -2.331 19302 318 1 1 . 1 1 59 59 LEU CA C 59 53.756 53.756 53.297 0.459 19302 319 1 1 . 1 1 59 59 LEU CB C 59 42.530 42.530 46.767 -4.237 19302 320 1 1 . 1 1 59 59 LEU H H 59 9.078 9.078 8.576 0.502 19302 321 1 1 . 1 1 60 60 TYR N N 60 129.820 129.820 122.953 6.867 19302 322 1 1 . 1 1 60 60 TYR HA H 60 5.110 5.110 4.718 0.392 19302 323 1 1 . 1 1 60 60 TYR C C 60 174.911 174.911 173.891 1.020 19302 324 1 1 . 1 1 60 60 TYR CA C 60 56.689 56.689 55.489 1.200 19302 325 1 1 . 1 1 60 60 TYR CB C 60 41.643 41.643 39.070 2.573 19302 326 1 1 . 1 1 60 60 TYR H H 60 10.120 10.120 8.523 1.597 19302 327 1 1 . 1 1 61 61 VAL N N 61 132.504 132.504 124.603 7.901 19302 328 1 1 . 1 1 61 61 VAL HA H 61 4.232 4.232 4.209 0.023 19302 329 1 1 . 1 1 61 61 VAL C C 61 174.433 174.433 174.782 -0.349 19302 330 1 1 . 1 1 61 61 VAL CA C 61 61.641 61.641 59.959 1.682 19302 331 1 1 . 1 1 61 61 VAL CB C 61 33.305 33.305 35.832 -2.527 19302 332 1 1 . 1 1 61 61 VAL H H 61 8.903 8.903 8.758 0.145 19302 333 1 1 . 1 1 62 62 THR N N 62 116.863 116.863 117.104 -0.241 19302 334 1 1 . 1 1 62 62 THR HA H 62 4.024 4.024 4.876 -0.852 19302 335 1 1 . 1 1 62 62 THR C C 62 175.118 175.118 175.319 -0.201 19302 336 1 1 . 1 1 62 62 THR CA C 62 60.650 60.650 59.591 1.059 19302 337 1 1 . 1 1 62 62 THR CB C 62 72.134 72.134 71.074 1.060 19302 338 1 1 . 1 1 62 62 THR H H 62 8.559 8.559 8.289 0.271 19302 339 1 1 . 1 1 63 63 GLU N N 63 120.767 120.767 126.259 -5.492 19302 340 1 1 . 1 1 63 63 GLU HA H 63 3.776 3.776 3.784 -0.008 19302 341 1 1 . 1 1 63 63 GLU C C 63 177.194 177.194 177.575 -0.381 19302 342 1 1 . 1 1 63 63 GLU CA C 63 60.496 60.496 60.699 -0.203 19302 343 1 1 . 1 1 63 63 GLU CB C 63 30.709 30.709 29.733 0.976 19302 344 1 1 . 1 1 63 63 GLU H H 63 9.165 9.165 8.876 0.289 19302 345 1 1 . 1 1 64 64 ALA N N 64 119.167 119.167 120.947 -1.780 19302 346 1 1 . 1 1 64 64 ALA HA H 64 3.998 3.998 3.978 0.020 19302 347 1 1 . 1 1 64 64 ALA C C 64 180.477 180.477 180.027 0.450 19302 348 1 1 . 1 1 64 64 ALA CA C 64 54.912 54.912 55.142 -0.230 19302 349 1 1 . 1 1 64 64 ALA CB C 64 17.899 17.899 18.057 -0.158 19302 350 1 1 . 1 1 64 64 ALA H H 64 7.919 7.919 7.568 0.351 19302 351 1 1 . 1 1 65 65 ASP N N 65 119.995 119.995 119.079 0.916 19302 352 1 1 . 1 1 65 65 ASP HA H 65 4.026 4.026 4.297 -0.271 19302 353 1 1 . 1 1 65 65 ASP C C 65 177.891 177.891 178.229 -0.338 19302 354 1 1 . 1 1 65 65 ASP CA C 65 57.412 57.412 56.851 0.561 19302 355 1 1 . 1 1 65 65 ASP CB C 65 41.112 41.112 40.319 0.793 19302 356 1 1 . 1 1 65 65 ASP H H 65 7.851 7.851 8.304 -0.453 19302 357 1 1 . 1 1 66 66 LEU N N 66 118.585 118.585 121.088 -2.503 19302 358 1 1 . 1 1 66 66 LEU HA H 66 3.813 3.813 3.888 -0.075 19302 359 1 1 . 1 1 66 66 LEU C C 66 178.892 178.892 178.375 0.517 19302 360 1 1 . 1 1 66 66 LEU CA C 66 56.943 56.943 57.762 -0.819 19302 361 1 1 . 1 1 66 66 LEU CB C 66 41.700 41.700 42.075 -0.375 19302 362 1 1 . 1 1 66 66 LEU H H 66 7.210 7.210 7.206 0.004 19302 363 1 1 . 1 1 67 67 VAL N N 67 117.714 117.714 116.766 0.948 19302 364 1 1 . 1 1 67 67 VAL HA H 67 3.088 3.088 3.619 -0.531 19302 365 1 1 . 1 1 67 67 VAL C C 67 177.430 177.430 177.804 -0.374 19302 366 1 1 . 1 1 67 67 VAL CA C 67 64.392 64.392 64.979 -0.587 19302 367 1 1 . 1 1 67 67 VAL CB C 67 31.974 31.974 31.182 0.792 19302 368 1 1 . 1 1 67 67 VAL H H 67 7.774 7.774 7.800 -0.026 19302 369 1 1 . 1 1 68 68 ALA N N 68 120.210 120.210 120.501 -0.291 19302 370 1 1 . 1 1 68 68 ALA HA H 68 3.992 3.992 4.100 -0.108 19302 371 1 1 . 1 1 68 68 ALA C C 68 178.127 178.127 178.787 -0.660 19302 372 1 1 . 1 1 68 68 ALA CA C 68 53.540 53.540 54.263 -0.723 19302 373 1 1 . 1 1 68 68 ALA CB C 68 18.849 18.849 19.244 -0.394 19302 374 1 1 . 1 1 68 68 ALA H H 68 7.336 7.336 7.651 -0.315 19302 375 1 1 . 1 1 69 69 GLY N N 69 106.149 106.149 108.281 -2.132 19302 376 1 1 . 1 1 69 69 GLY C C 69 173.298 173.298 174.486 -1.188 19302 377 1 1 . 1 1 69 69 GLY CA C 69 45.057 45.057 46.145 -1.088 19302 378 1 1 . 1 1 69 69 GLY H H 69 7.143 7.143 8.144 -1.001 19302 379 1 1 . 1 1 70 70 ASN N N 70 118.879 118.879 123.439 -4.560 19302 380 1 1 . 1 1 70 70 ASN HA H 70 4.855 4.855 4.704 0.151 19302 381 1 1 . 1 1 70 70 ASN C C 70 177.766 177.766 174.599 3.167 19302 382 1 1 . 1 1 70 70 ASN CA C 70 52.611 52.611 52.958 -0.347 19302 383 1 1 . 1 1 70 70 ASN CB C 70 38.356 38.356 38.435 -0.079 19302 384 1 1 . 1 1 70 70 ASN H H 70 8.316 8.316 8.400 -0.084 19302 385 1 1 . 1 1 71 71 GLY N N 71 114.725 114.725 111.003 3.722 19302 386 1 1 . 1 1 71 71 GLY C C 71 176.515 176.515 174.385 2.130 19302 387 1 1 . 1 1 71 71 GLY CA C 71 47.575 47.575 45.210 2.365 19302 388 1 1 . 1 1 71 71 GLY H H 71 8.812 8.812 8.171 0.641 19302 389 1 1 . 1 1 72 72 TYR N N 72 118.594 118.594 124.277 -5.683 19302 390 1 1 . 1 1 72 72 TYR HA H 72 4.182 4.182 4.307 -0.125 19302 391 1 1 . 1 1 72 72 TYR C C 72 176.205 176.205 176.463 -0.258 19302 392 1 1 . 1 1 72 72 TYR CA C 72 59.287 59.287 59.958 -0.671 19302 393 1 1 . 1 1 72 72 TYR CB C 72 37.305 37.305 38.601 -1.296 19302 394 1 1 . 1 1 72 72 TYR H H 72 8.067 8.067 8.314 -0.247 19302 395 1 1 . 1 1 73 73 ARG N N 73 119.967 119.967 119.132 0.835 19302 396 1 1 . 1 1 73 73 ARG HA H 73 3.261 3.261 3.979 -0.718 19302 397 1 1 . 1 1 73 73 ARG C C 73 177.612 177.612 177.827 -0.215 19302 398 1 1 . 1 1 73 73 ARG CA C 73 59.984 59.984 59.331 0.653 19302 399 1 1 . 1 1 73 73 ARG CB C 73 29.286 29.286 30.005 -0.719 19302 400 1 1 . 1 1 73 73 ARG H H 73 6.715 6.715 8.362 -1.647 19302 401 1 1 . 1 1 74 74 LYS N N 74 116.928 116.928 118.847 -1.919 19302 402 1 1 . 1 1 74 74 LYS HA H 74 3.728 3.728 3.921 -0.193 19302 403 1 1 . 1 1 74 74 LYS C C 74 179.161 179.161 178.767 0.394 19302 404 1 1 . 1 1 74 74 LYS CA C 74 59.770 59.770 59.796 -0.026 19302 405 1 1 . 1 1 74 74 LYS CB C 74 32.037 32.037 32.100 -0.063 19302 406 1 1 . 1 1 74 74 LYS H H 74 7.169 7.169 7.681 -0.512 19302 407 1 1 . 1 1 75 75 ARG N N 75 117.727 117.727 117.899 -0.172 19302 408 1 1 . 1 1 75 75 ARG HA H 75 3.753 3.753 3.976 -0.223 19302 409 1 1 . 1 1 75 75 ARG C C 75 177.176 177.176 178.778 -1.602 19302 410 1 1 . 1 1 75 75 ARG CA C 75 59.596 59.596 58.616 0.980 19302 411 1 1 . 1 1 75 75 ARG CB C 75 31.110 31.110 29.430 1.679 19302 412 1 1 . 1 1 75 75 ARG H H 75 7.511 7.511 7.601 -0.090 19302 413 1 1 . 1 1 76 76 LEU N N 76 118.105 118.105 119.187 -1.082 19302 414 1 1 . 1 1 76 76 LEU HA H 76 3.575 3.575 4.053 -0.478 19302 415 1 1 . 1 1 76 76 LEU C C 76 178.325 178.325 178.710 -0.385 19302 416 1 1 . 1 1 76 76 LEU CA C 76 59.496 59.496 57.398 2.098 19302 417 1 1 . 1 1 76 76 LEU CB C 76 41.124 41.124 41.876 -0.752 19302 418 1 1 . 1 1 76 76 LEU H H 76 6.770 6.770 7.757 -0.987 19302 419 1 1 . 1 1 77 77 VAL N N 77 117.854 117.854 119.269 -1.415 19302 420 1 1 . 1 1 77 77 VAL HA H 77 3.243 3.243 3.659 -0.415 19302 421 1 1 . 1 1 77 77 VAL C C 77 177.335 177.335 177.815 -0.480 19302 422 1 1 . 1 1 77 77 VAL CA C 77 66.596 66.596 65.906 0.690 19302 423 1 1 . 1 1 77 77 VAL CB C 77 31.703 31.703 31.089 0.614 19302 424 1 1 . 1 1 77 77 VAL H H 77 7.800 7.800 8.233 -0.433 19302 425 1 1 . 1 1 78 78 ARG N N 78 118.783 118.783 120.093 -1.310 19302 426 1 1 . 1 1 78 78 ARG HA H 78 3.872 3.872 4.063 -0.191 19302 427 1 1 . 1 1 78 78 ARG C C 78 179.484 179.484 177.616 1.868 19302 428 1 1 . 1 1 78 78 ARG CA C 78 59.337 59.337 58.718 0.620 19302 429 1 1 . 1 1 78 78 ARG CB C 78 29.921 29.921 29.612 0.309 19302 430 1 1 . 1 1 78 78 ARG H H 78 7.385 7.385 7.708 -0.323 19302 431 1 1 . 1 1 79 79 VAL N N 79 118.747 118.747 118.194 0.553 19302 432 1 1 . 1 1 79 79 VAL HA H 79 3.434 3.434 3.753 -0.319 19302 433 1 1 . 1 1 79 79 VAL C C 79 177.902 177.902 177.363 0.539 19302 434 1 1 . 1 1 79 79 VAL CA C 79 66.771 66.771 66.199 0.572 19302 435 1 1 . 1 1 79 79 VAL CB C 79 31.327 31.327 31.875 -0.548 19302 436 1 1 . 1 1 79 79 VAL H H 79 7.374 7.374 7.627 -0.253 19302 437 1 1 . 1 1 80 80 ARG N N 80 122.868 122.868 118.729 4.139 19302 438 1 1 . 1 1 80 80 ARG HA H 80 3.960 3.960 4.025 -0.065 19302 439 1 1 . 1 1 80 80 ARG C C 80 177.893 177.893 177.797 0.096 19302 440 1 1 . 1 1 80 80 ARG CA C 80 58.256 58.256 58.738 -0.482 19302 441 1 1 . 1 1 80 80 ARG CB C 80 29.141 29.141 30.078 -0.937 19302 442 1 1 . 1 1 80 80 ARG H H 80 8.268 8.268 7.562 0.706 19302 443 1 1 . 1 1 81 81 ASN N N 81 115.469 115.469 115.706 -0.237 19302 444 1 1 . 1 1 81 81 ASN HA H 81 4.528 4.528 4.631 -0.103 19302 445 1 1 . 1 1 81 81 ASN C C 81 175.329 175.329 175.933 -0.604 19302 446 1 1 . 1 1 81 81 ASN CA C 81 53.553 53.553 54.812 -1.260 19302 447 1 1 . 1 1 81 81 ASN CB C 81 38.358 38.358 39.186 -0.828 19302 448 1 1 . 1 1 81 81 ASN H H 81 7.878 7.878 8.185 -0.307 19302 449 1 1 . 1 1 82 82 SER N N 82 117.226 117.226 116.319 0.907 19302 450 1 1 . 1 1 82 82 SER HA H 82 4.350 4.350 4.346 0.004 19302 451 1 1 . 1 1 82 82 SER C C 82 175.243 175.243 174.782 0.461 19302 452 1 1 . 1 1 82 82 SER CA C 82 59.045 59.045 60.087 -1.042 19302 453 1 1 . 1 1 82 82 SER CB C 82 63.929 63.929 63.976 -0.047 19302 454 1 1 . 1 1 82 82 SER H H 82 7.528 7.528 7.829 -0.301 19302 455 1 1 . 1 1 83 83 ASN N N 83 121.059 121.059 120.281 0.778 19302 456 1 1 . 1 1 83 83 ASN HA H 83 4.402 4.402 4.734 -0.332 19302 457 1 1 . 1 1 83 83 ASN C C 83 175.260 175.260 173.909 1.351 19302 458 1 1 . 1 1 83 83 ASN CA C 83 54.583 54.583 53.644 0.939 19302 459 1 1 . 1 1 83 83 ASN CB C 83 38.909 38.909 39.526 -0.617 19302 460 1 1 . 1 1 83 83 ASN H H 83 8.348 8.348 8.730 -0.382 19302 461 1 1 . 1 1 84 84 ASN N N 84 117.070 117.070 119.287 -2.217 19302 462 1 1 . 1 1 84 84 ASN HA H 84 4.422 4.422 4.933 -0.511 19302 463 1 1 . 1 1 84 84 ASN C C 84 173.609 173.609 173.917 -0.308 19302 464 1 1 . 1 1 84 84 ASN CA C 84 53.753 53.753 52.757 0.996 19302 465 1 1 . 1 1 84 84 ASN CB C 84 38.551 38.551 39.003 -0.452 19302 466 1 1 . 1 1 84 84 ASN H H 84 8.466 8.466 8.382 0.084 19302 467 1 1 . 1 1 85 85 LEU N N 85 119.048 119.048 123.290 -4.242 19302 468 1 1 . 1 1 85 85 LEU HA H 85 4.518 4.518 4.643 -0.125 19302 469 1 1 . 1 1 85 85 LEU C C 85 175.397 175.397 176.714 -1.317 19302 470 1 1 . 1 1 85 85 LEU CA C 85 54.094 54.094 54.753 -0.659 19302 471 1 1 . 1 1 85 85 LEU CB C 85 44.902 44.902 42.799 2.103 19302 472 1 1 . 1 1 85 85 LEU H H 85 7.453 7.453 8.157 -0.704 19302 473 1 1 . 1 1 86 86 LYS N N 86 125.959 125.959 123.184 2.775 19302 474 1 1 . 1 1 86 86 LYS HA H 86 4.397 4.397 4.724 -0.327 19302 475 1 1 . 1 1 86 86 LYS C C 86 175.209 175.209 175.932 -0.723 19302 476 1 1 . 1 1 86 86 LYS CA C 86 54.934 54.934 55.324 -0.390 19302 477 1 1 . 1 1 86 86 LYS CB C 86 33.581 33.581 32.117 1.464 19302 478 1 1 . 1 1 86 86 LYS H H 86 8.242 8.242 8.282 -0.040 19302 479 1 1 . 1 1 87 87 GLY N N 87 113.359 113.359 110.043 3.316 19302 480 1 1 . 1 1 87 87 GLY C C 87 171.780 171.780 172.857 -1.077 19302 481 1 1 . 1 1 87 87 GLY CA C 87 44.894 44.894 43.533 1.361 19302 482 1 1 . 1 1 87 87 GLY H H 87 8.840 8.840 8.109 0.731 19302 483 1 1 . 1 1 88 88 ILE N N 88 125.743 125.743 117.678 8.065 19302 484 1 1 . 1 1 88 88 ILE HA H 88 4.077 4.077 4.614 -0.537 19302 485 1 1 . 1 1 88 88 ILE C C 88 174.254 174.254 174.733 -0.479 19302 486 1 1 . 1 1 88 88 ILE CA C 88 60.766 60.766 60.698 0.068 19302 487 1 1 . 1 1 88 88 ILE CB C 88 40.483 40.483 41.942 -1.459 19302 488 1 1 . 1 1 88 88 ILE H H 88 8.411 8.411 8.722 -0.311 19302 489 1 1 . 1 1 89 89 VAL N N 89 129.556 129.556 126.446 3.110 19302 490 1 1 . 1 1 89 89 VAL HA H 89 4.762 4.762 4.664 0.098 19302 491 1 1 . 1 1 89 89 VAL C C 89 174.205 174.205 175.261 -1.056 19302 492 1 1 . 1 1 89 89 VAL CA C 89 61.224 61.224 61.455 -0.231 19302 493 1 1 . 1 1 89 89 VAL CB C 89 31.924 31.924 32.924 -1.000 19302 494 1 1 . 1 1 89 89 VAL H H 89 8.859 8.859 9.221 -0.362 19302 495 1 1 . 1 1 90 90 VAL N N 90 130.678 130.678 127.639 3.039 19302 496 1 1 . 1 1 90 90 VAL HA H 90 4.804 4.804 4.379 0.425 19302 497 1 1 . 1 1 90 90 VAL C C 90 173.650 173.650 175.065 -1.415 19302 498 1 1 . 1 1 90 90 VAL CA C 90 60.478 60.478 61.178 -0.700 19302 499 1 1 . 1 1 90 90 VAL CB C 90 33.666 33.666 33.115 0.551 19302 500 1 1 . 1 1 90 90 VAL H H 90 8.747 8.747 9.098 -0.351 19302 501 1 1 . 1 1 91 91 VAL N N 91 122.793 122.793 125.906 -3.113 19302 502 1 1 . 1 1 91 91 VAL HA H 91 5.019 5.019 4.378 0.641 19302 503 1 1 . 1 1 91 91 VAL C C 91 173.241 173.241 174.427 -1.186 19302 504 1 1 . 1 1 91 91 VAL CA C 91 56.898 56.898 60.634 -3.736 19302 505 1 1 . 1 1 91 91 VAL CB C 91 35.349 35.349 34.483 0.867 19302 506 1 1 . 1 1 91 91 VAL H H 91 7.758 7.758 8.332 -0.574 19302 507 1 1 . 1 1 92 92 GLU N N 92 125.925 125.925 126.925 -1.000 19302 508 1 1 . 1 1 92 92 GLU HA H 92 4.208 4.208 4.515 -0.307 19302 509 1 1 . 1 1 92 92 GLU C C 92 173.665 173.665 175.248 -1.583 19302 510 1 1 . 1 1 92 92 GLU CA C 92 55.740 55.740 54.521 1.219 19302 511 1 1 . 1 1 92 92 GLU CB C 92 29.433 29.433 31.058 -1.625 19302 512 1 1 . 1 1 92 92 GLU H H 92 7.501 7.501 8.913 -1.412 19302 513 1 1 . 1 1 93 93 LYS N N 93 132.415 132.415 126.904 5.511 19302 514 1 1 . 1 1 93 93 LYS HA H 93 4.033 4.033 4.112 -0.079 19302 515 1 1 . 1 1 93 93 LYS C C 93 173.582 173.582 175.952 -2.370 19302 516 1 1 . 1 1 93 93 LYS CA C 93 55.460 55.460 56.977 -1.517 19302 517 1 1 . 1 1 93 93 LYS CB C 93 33.506 33.506 32.474 1.032 19302 518 1 1 . 1 1 93 93 LYS H H 93 9.015 9.015 8.309 0.706 19302 519 1 1 . 1 1 94 94 THR N N 94 118.315 118.315 116.344 1.971 19302 520 1 1 . 1 1 94 94 THR HA H 94 4.600 4.600 4.517 0.083 19302 521 1 1 . 1 1 94 94 THR C C 94 174.933 174.933 174.963 -0.030 19302 522 1 1 . 1 1 94 94 THR CA C 94 58.678 58.678 63.142 -4.464 19302 523 1 1 . 1 1 94 94 THR CB C 94 72.561 72.561 70.157 2.404 19302 524 1 1 . 1 1 94 94 THR H H 94 8.288 8.288 8.378 -0.090 19302 525 1 1 . 1 1 95 95 ARG N N 95 119.684 119.684 119.753 -0.069 19302 526 1 1 . 1 1 95 95 ARG HA H 95 3.960 3.960 4.550 -0.590 19302 527 1 1 . 1 1 95 95 ARG C C 95 178.617 178.617 177.046 1.571 19302 528 1 1 . 1 1 95 95 ARG CA C 95 59.240 59.240 57.354 1.886 19302 529 1 1 . 1 1 95 95 ARG CB C 95 29.480 29.480 30.673 -1.193 19302 530 1 1 . 1 1 95 95 ARG H H 95 8.719 8.719 8.108 0.611 19302 531 1 1 . 1 1 96 96 MET N N 96 115.656 115.656 120.448 -4.792 19302 532 1 1 . 1 1 96 96 MET HA H 96 4.332 4.332 4.463 -0.131 19302 533 1 1 . 1 1 96 96 MET C C 96 177.312 177.312 177.170 0.142 19302 534 1 1 . 1 1 96 96 MET CA C 96 56.615 56.615 55.971 0.644 19302 535 1 1 . 1 1 96 96 MET CB C 96 32.723 32.723 32.148 0.575 19302 536 1 1 . 1 1 96 96 MET H H 96 7.895 7.895 8.271 -0.376 19302 537 1 1 . 1 1 97 97 SER N N 97 114.024 114.024 116.325 -2.301 19302 538 1 1 . 1 1 97 97 SER HA H 97 4.648 4.648 4.228 0.420 19302 539 1 1 . 1 1 97 97 SER C C 97 176.743 176.743 175.834 0.909 19302 540 1 1 . 1 1 97 97 SER CA C 97 58.484 58.484 61.659 -3.175 19302 541 1 1 . 1 1 97 97 SER CB C 97 65.103 65.103 62.816 2.287 19302 542 1 1 . 1 1 97 97 SER H H 97 8.108 8.108 8.409 -0.301 19302 543 1 1 . 1 1 98 98 GLU N N 98 124.701 124.701 120.274 4.427 19302 544 1 1 . 1 1 98 98 GLU HA H 98 3.689 3.689 4.132 -0.443 19302 545 1 1 . 1 1 98 98 GLU C C 98 178.994 178.994 178.323 0.671 19302 546 1 1 . 1 1 98 98 GLU CA C 98 60.482 60.482 59.241 1.241 19302 547 1 1 . 1 1 98 98 GLU CB C 98 29.096 29.096 29.226 -0.130 19302 548 1 1 . 1 1 98 98 GLU H H 98 8.229 8.229 8.811 -0.582 19302 549 1 1 . 1 1 99 99 GLN N N 99 117.637 117.637 116.651 0.986 19302 550 1 1 . 1 1 99 99 GLN HA H 99 4.008 4.008 4.089 -0.081 19302 551 1 1 . 1 1 99 99 GLN C C 99 176.402 176.402 177.603 -1.201 19302 552 1 1 . 1 1 99 99 GLN CA C 99 58.127 58.127 58.561 -0.434 19302 553 1 1 . 1 1 99 99 GLN CB C 99 28.135 28.135 29.648 -1.513 19302 554 1 1 . 1 1 99 99 GLN H H 99 8.464 8.464 7.875 0.589 19302 555 1 1 . 1 1 100 100 TYR N N 100 118.538 118.538 115.185 3.353 19302 556 1 1 . 1 1 100 100 TYR HA H 100 4.512 4.512 4.709 -0.197 19302 557 1 1 . 1 1 100 100 TYR C C 100 176.132 176.132 176.188 -0.056 19302 558 1 1 . 1 1 100 100 TYR CA C 100 58.029 58.029 57.688 0.341 19302 559 1 1 . 1 1 100 100 TYR CB C 100 39.600 39.600 39.669 -0.069 19302 560 1 1 . 1 1 100 100 TYR H H 100 7.688 7.688 8.031 -0.343 19302 561 1 1 . 1 1 101 101 PHE N N 101 121.713 121.713 122.834 -1.121 19302 562 1 1 . 1 1 101 101 PHE HA H 101 4.098 4.098 4.540 -0.442 19302 563 1 1 . 1 1 101 101 PHE C C 101 173.115 173.115 173.924 -0.809 19302 564 1 1 . 1 1 101 101 PHE CA C 101 63.389 63.389 61.508 1.881 19302 565 1 1 . 1 1 101 101 PHE CB C 101 37.438 37.438 37.127 0.311 19302 566 1 1 . 1 1 101 101 PHE H H 101 7.916 7.916 9.229 -1.313 19302 567 1 1 . 1 1 102 102 PRO HA H 102 4.078 4.078 3.979 0.099 19302 568 1 1 . 1 1 102 102 PRO C C 102 179.371 179.371 178.091 1.280 19302 569 1 1 . 1 1 102 102 PRO CA C 102 67.173 67.173 65.462 1.711 19302 570 1 1 . 1 1 102 102 PRO CB C 102 30.497 30.497 30.764 -0.267 19302 571 1 1 . 1 1 103 103 ALA N N 103 119.259 119.259 120.375 -1.116 19302 572 1 1 . 1 1 103 103 ALA HA H 103 4.043 4.043 4.104 -0.061 19302 573 1 1 . 1 1 103 103 ALA C C 103 180.693 180.693 179.730 0.963 19302 574 1 1 . 1 1 103 103 ALA CA C 103 54.322 54.322 54.851 -0.529 19302 575 1 1 . 1 1 103 103 ALA CB C 103 18.420 18.420 18.343 0.077 19302 576 1 1 . 1 1 103 103 ALA H H 103 8.030 8.030 8.071 -0.041 19302 577 1 1 . 1 1 104 104 LEU N N 104 121.207 121.207 119.177 2.030 19302 578 1 1 . 1 1 104 104 LEU HA H 104 4.164 4.164 4.047 0.117 19302 579 1 1 . 1 1 104 104 LEU C C 104 179.295 179.295 178.963 0.332 19302 580 1 1 . 1 1 104 104 LEU CA C 104 58.235 58.235 57.751 0.484 19302 581 1 1 . 1 1 104 104 LEU CB C 104 41.154 41.154 41.961 -0.807 19302 582 1 1 . 1 1 104 104 LEU H H 104 7.161 7.161 7.594 -0.433 19302 583 1 1 . 1 1 105 105 GLN N N 105 123.941 123.941 118.902 5.039 19302 584 1 1 . 1 1 105 105 GLN HA H 105 3.451 3.451 3.685 -0.234 19302 585 1 1 . 1 1 105 105 GLN C C 105 176.984 176.984 178.109 -1.125 19302 586 1 1 . 1 1 105 105 GLN CA C 105 59.986 59.986 59.135 0.851 19302 587 1 1 . 1 1 105 105 GLN CB C 105 27.878 27.878 27.988 -0.110 19302 588 1 1 . 1 1 105 105 GLN H H 105 8.836 8.836 8.162 0.674 19302 589 1 1 . 1 1 106 106 LYS N N 106 119.943 119.943 119.803 0.140 19302 590 1 1 . 1 1 106 106 LYS HA H 106 3.752 3.752 3.996 -0.244 19302 591 1 1 . 1 1 106 106 LYS C C 106 177.834 177.834 178.661 -0.827 19302 592 1 1 . 1 1 106 106 LYS CA C 106 60.337 60.337 59.263 1.074 19302 593 1 1 . 1 1 106 106 LYS CB C 106 32.380 32.380 32.082 0.298 19302 594 1 1 . 1 1 106 106 LYS H H 106 7.692 7.692 7.699 -0.007 19302 595 1 1 . 1 1 107 107 PHE N N 107 117.769 117.769 119.227 -1.458 19302 596 1 1 . 1 1 107 107 PHE HA H 107 4.378 4.378 4.264 0.114 19302 597 1 1 . 1 1 107 107 PHE C C 107 176.089 176.089 177.589 -1.500 19302 598 1 1 . 1 1 107 107 PHE CA C 107 60.327 60.327 61.515 -1.188 19302 599 1 1 . 1 1 107 107 PHE CB C 107 40.477 40.477 39.046 1.431 19302 600 1 1 . 1 1 107 107 PHE H H 107 7.514 7.514 7.714 -0.200 19302 601 1 1 . 1 1 108 108 THR N N 108 112.966 112.966 116.273 -3.307 19302 602 1 1 . 1 1 108 108 THR HA H 108 3.196 3.196 3.854 -0.658 19302 603 1 1 . 1 1 108 108 THR C C 108 174.656 174.656 176.795 -2.139 19302 604 1 1 . 1 1 108 108 THR CA C 108 67.885 67.885 67.049 0.836 19302 605 1 1 . 1 1 108 108 THR CB C 108 69.292 69.292 68.262 1.030 19302 606 1 1 . 1 1 108 108 THR H H 108 8.541 8.541 8.792 -0.251 19302 607 1 1 . 1 1 109 109 VAL N N 109 118.515 118.515 122.476 -3.961 19302 608 1 1 . 1 1 109 109 VAL HA H 109 3.953 3.953 3.725 0.228 19302 609 1 1 . 1 1 109 109 VAL C C 109 178.009 178.009 178.130 -0.121 19302 610 1 1 . 1 1 109 109 VAL CA C 109 65.110 65.110 66.580 -1.470 19302 611 1 1 . 1 1 109 109 VAL CB C 109 32.327 32.327 31.483 0.844 19302 612 1 1 . 1 1 109 109 VAL H H 109 8.065 8.065 7.560 0.505 19302 613 1 1 . 1 1 110 110 LEU N N 110 118.627 118.627 118.997 -0.370 19302 614 1 1 . 1 1 110 110 LEU HA H 110 4.157 4.157 3.889 0.268 19302 615 1 1 . 1 1 110 110 LEU C C 110 178.351 178.351 178.316 0.035 19302 616 1 1 . 1 1 110 110 LEU CA C 110 57.133 57.133 57.124 0.009 19302 617 1 1 . 1 1 110 110 LEU CB C 110 40.985 40.985 40.530 0.455 19302 618 1 1 . 1 1 110 110 LEU H H 110 7.224 7.224 7.467 -0.243 19302 619 1 1 . 1 1 111 111 ASP N N 111 119.092 119.092 118.471 0.621 19302 620 1 1 . 1 1 111 111 ASP HA H 111 4.325 4.325 4.409 -0.084 19302 621 1 1 . 1 1 111 111 ASP C C 111 178.644 178.644 178.252 0.392 19302 622 1 1 . 1 1 111 111 ASP CA C 111 57.243 57.243 56.791 0.452 19302 623 1 1 . 1 1 111 111 ASP CB C 111 39.330 39.330 42.671 -3.341 19302 624 1 1 . 1 1 111 111 ASP H H 111 7.719 7.719 8.084 -0.365 19302 625 1 1 . 1 1 112 112 LEU N N 112 114.990 114.990 116.492 -1.502 19302 626 1 1 . 1 1 112 112 LEU HA H 112 4.044 4.044 4.364 -0.320 19302 627 1 1 . 1 1 112 112 LEU C C 112 177.936 177.936 177.553 0.383 19302 628 1 1 . 1 1 112 112 LEU CA C 112 55.507 55.507 54.907 0.600 19302 629 1 1 . 1 1 112 112 LEU CB C 112 42.142 42.142 43.598 -1.456 19302 630 1 1 . 1 1 112 112 LEU H H 112 7.306 7.306 8.360 -1.054 19302 631 1 1 . 1 1 113 113 GLY N N 113 108.097 108.097 107.265 0.832 19302 632 1 1 . 1 1 113 113 GLY C C 113 175.161 175.161 174.822 0.339 19302 633 1 1 . 1 1 113 113 GLY CA C 113 47.080 47.080 46.174 0.906 19302 634 1 1 . 1 1 113 113 GLY H H 113 6.651 6.651 7.860 -1.209 19302 635 1 1 . 1 1 114 114 MET N N 114 119.916 119.916 118.361 1.555 19302 636 1 1 . 1 1 114 114 MET HA H 114 4.441 4.441 4.298 0.143 19302 637 1 1 . 1 1 114 114 MET C C 114 174.467 174.467 175.936 -1.469 19302 638 1 1 . 1 1 114 114 MET CA C 114 55.303 55.303 56.059 -0.756 19302 639 1 1 . 1 1 114 114 MET CB C 114 35.820 35.820 34.077 1.743 19302 640 1 1 . 1 1 114 114 MET H H 114 8.107 8.107 7.714 0.393 19302 641 1 1 . 1 1 115 115 VAL N N 115 120.592 120.592 119.474 1.118 19302 642 1 1 . 1 1 115 115 VAL HA H 115 3.723 3.723 4.233 -0.510 19302 643 1 1 . 1 1 115 115 VAL C C 115 173.084 173.084 174.261 -1.177 19302 644 1 1 . 1 1 115 115 VAL CA C 115 62.921 62.921 62.051 0.870 19302 645 1 1 . 1 1 115 115 VAL CB C 115 33.192 33.192 32.656 0.537 19302 646 1 1 . 1 1 115 115 VAL H H 115 7.414 7.414 8.283 -0.869 19302 647 1 1 . 1 1 116 116 LEU N N 116 128.303 128.303 128.598 -0.295 19302 648 1 1 . 1 1 116 116 LEU HA H 116 5.176 5.176 5.264 -0.088 19302 649 1 1 . 1 1 116 116 LEU C C 116 175.304 175.304 176.514 -1.210 19302 650 1 1 . 1 1 116 116 LEU CA C 116 53.335 53.335 54.101 -0.766 19302 651 1 1 . 1 1 116 116 LEU CB C 116 45.512 45.512 43.634 1.878 19302 652 1 1 . 1 1 116 116 LEU H H 116 7.872 7.872 8.605 -0.734 19302 653 1 1 . 1 1 117 117 LEU N N 117 129.470 129.470 125.620 3.850 19302 654 1 1 . 1 1 117 117 LEU HA H 117 4.922 4.922 4.851 0.071 19302 655 1 1 . 1 1 117 117 LEU C C 117 173.512 173.512 175.138 -1.626 19302 656 1 1 . 1 1 117 117 LEU CA C 117 51.061 51.061 52.141 -1.080 19302 657 1 1 . 1 1 117 117 LEU CB C 117 43.824 43.824 43.243 0.581 19302 658 1 1 . 1 1 117 117 LEU H H 117 9.331 9.331 8.440 0.891 19302 659 1 1 . 1 1 118 118 PRO HA H 118 5.167 5.167 4.608 0.559 19302 660 1 1 . 1 1 118 118 PRO C C 118 176.784 176.784 176.155 0.629 19302 661 1 1 . 1 1 118 118 PRO CA C 118 61.019 61.019 62.920 -1.901 19302 662 1 1 . 1 1 118 118 PRO CB C 118 32.806 32.806 32.215 0.591 19302 663 1 1 . 1 1 119 119 VAL N N 119 114.345 114.345 115.598 -1.253 19302 664 1 1 . 1 1 119 119 VAL HA H 119 4.507 4.507 4.335 0.172 19302 665 1 1 . 1 1 119 119 VAL C C 119 174.881 174.881 174.345 0.536 19302 666 1 1 . 1 1 119 119 VAL CA C 119 59.150 59.150 60.502 -1.352 19302 667 1 1 . 1 1 119 119 VAL CB C 119 36.847 36.847 32.675 4.171 19302 668 1 1 . 1 1 119 119 VAL H H 119 8.775 8.775 8.644 0.131 19302 669 1 1 . 1 1 120 120 ALA N N 120 121.458 121.458 120.464 0.994 19302 670 1 1 . 1 1 120 120 ALA HA H 120 4.335 4.335 4.512 -0.177 19302 671 1 1 . 1 1 120 120 ALA C C 120 177.637 177.637 175.502 2.135 19302 672 1 1 . 1 1 120 120 ALA CA C 120 52.662 52.662 52.218 0.444 19302 673 1 1 . 1 1 120 120 ALA CB C 120 19.817 19.817 19.684 0.133 19302 674 1 1 . 1 1 120 120 ALA H H 120 8.740 8.740 8.080 0.660 19302 675 1 1 . 1 1 121 121 SER N N 121 106.201 106.201 112.478 -6.277 19302 676 1 1 . 1 1 121 121 SER HA H 121 4.523 4.523 4.616 -0.093 19302 677 1 1 . 1 1 121 121 SER C C 121 173.940 173.940 175.345 -1.405 19302 678 1 1 . 1 1 121 121 SER CA C 121 56.668 56.668 56.857 -0.189 19302 679 1 1 . 1 1 121 121 SER CB C 121 66.057 66.057 65.150 0.907 19302 680 1 1 . 1 1 121 121 SER H H 121 7.147 7.147 7.744 -0.597 19302 681 1 1 . 1 1 122 122 GLN N N 122 120.942 120.942 120.159 0.783 19302 682 1 1 . 1 1 122 122 GLN HA H 122 4.063 4.063 4.341 -0.278 19302 683 1 1 . 1 1 122 122 GLN C C 122 178.350 178.350 177.946 0.404 19302 684 1 1 . 1 1 122 122 GLN CA C 122 59.436 59.436 58.610 0.826 19302 685 1 1 . 1 1 122 122 GLN CB C 122 29.018 29.018 29.119 -0.101 19302 686 1 1 . 1 1 122 122 GLN H H 122 9.055 9.055 8.733 0.322 19302 687 1 1 . 1 1 123 123 MET N N 123 118.978 118.978 119.859 -0.881 19302 688 1 1 . 1 1 123 123 MET HA H 123 3.947 3.947 4.234 -0.287 19302 689 1 1 . 1 1 123 123 MET C C 123 179.161 179.161 178.689 0.472 19302 690 1 1 . 1 1 123 123 MET CA C 123 58.802 58.802 59.050 -0.249 19302 691 1 1 . 1 1 123 123 MET CB C 123 31.305 31.305 32.646 -1.341 19302 692 1 1 . 1 1 123 123 MET H H 123 7.950 7.950 8.087 -0.137 19302 693 1 1 . 1 1 124 124 GLU N N 124 121.747 121.747 119.284 2.463 19302 694 1 1 . 1 1 124 124 GLU HA H 124 3.897 3.897 3.888 0.009 19302 695 1 1 . 1 1 124 124 GLU C C 124 179.272 179.272 178.762 0.510 19302 696 1 1 . 1 1 124 124 GLU CA C 124 59.686 59.686 60.085 -0.399 19302 697 1 1 . 1 1 124 124 GLU CB C 124 29.943 29.943 28.756 1.187 19302 698 1 1 . 1 1 124 124 GLU H H 124 7.729 7.729 7.890 -0.161 19302 699 1 1 . 1 1 125 125 ALA N N 125 121.208 121.208 121.866 -0.658 19302 700 1 1 . 1 1 125 125 ALA HA H 125 3.827 3.827 3.963 -0.136 19302 701 1 1 . 1 1 125 125 ALA C C 125 178.068 178.068 179.346 -1.278 19302 702 1 1 . 1 1 125 125 ALA CA C 125 54.330 54.330 55.509 -1.179 19302 703 1 1 . 1 1 125 125 ALA CB C 125 19.232 19.232 18.405 0.827 19302 704 1 1 . 1 1 125 125 ALA H H 125 8.083 8.083 7.779 0.304 19302 705 1 1 . 1 1 126 126 SER N N 126 114.095 114.095 114.724 -0.629 19302 706 1 1 . 1 1 126 126 SER HA H 126 3.527 3.527 4.037 -0.510 19302 707 1 1 . 1 1 126 126 SER C C 126 175.129 175.129 176.896 -1.767 19302 708 1 1 . 1 1 126 126 SER CA C 126 62.161 62.161 61.545 0.616 19302 709 1 1 . 1 1 126 126 SER CB C 126 69.705 69.705 62.931 6.774 19302 710 1 1 . 1 1 126 126 SER H H 126 7.975 7.975 7.971 0.004 19302 711 1 1 . 1 1 127 127 CYS N N 127 119.210 119.210 120.070 -0.860 19302 712 1 1 . 1 1 127 127 CYS HA H 127 3.819 3.819 4.271 -0.452 19302 713 1 1 . 1 1 127 127 CYS C C 127 177.016 177.016 176.572 0.444 19302 714 1 1 . 1 1 127 127 CYS CA C 127 62.351 62.351 62.826 -0.475 19302 715 1 1 . 1 1 127 127 CYS CB C 127 26.714 26.714 27.211 -0.497 19302 716 1 1 . 1 1 127 127 CYS H H 127 6.869 6.869 8.661 -1.792 19302 717 1 1 . 1 1 128 128 LEU N N 128 122.342 122.342 121.883 0.459 19302 718 1 1 . 1 1 128 128 LEU HA H 128 3.947 3.947 4.101 -0.154 19302 719 1 1 . 1 1 128 128 LEU C C 128 178.010 178.010 178.998 -0.988 19302 720 1 1 . 1 1 128 128 LEU CA C 128 57.860 57.860 58.266 -0.406 19302 721 1 1 . 1 1 128 128 LEU CB C 128 41.951 41.951 42.209 -0.258 19302 722 1 1 . 1 1 128 128 LEU H H 128 7.527 7.527 8.532 -1.005 19302 723 1 1 . 1 1 129 129 VAL N N 129 119.021 119.021 119.564 -0.543 19302 724 1 1 . 1 1 129 129 VAL HA H 129 3.035 3.035 3.571 -0.536 19302 725 1 1 . 1 1 129 129 VAL C C 129 177.035 177.035 177.533 -0.498 19302 726 1 1 . 1 1 129 129 VAL CA C 129 67.656 67.656 67.319 0.338 19302 727 1 1 . 1 1 129 129 VAL CB C 129 30.898 30.898 31.852 -0.954 19302 728 1 1 . 1 1 129 129 VAL H H 129 8.360 8.360 8.754 -0.394 19302 729 1 1 . 1 1 130 130 ILE N N 130 117.913 117.913 119.728 -1.815 19302 730 1 1 . 1 1 130 130 ILE HA H 130 3.292 3.292 3.547 -0.255 19302 731 1 1 . 1 1 130 130 ILE C C 130 177.834 177.834 177.455 0.379 19302 732 1 1 . 1 1 130 130 ILE CA C 130 64.592 64.592 65.618 -1.026 19302 733 1 1 . 1 1 130 130 ILE CB C 130 36.970 36.970 37.592 -0.622 19302 734 1 1 . 1 1 130 130 ILE H H 130 7.331 7.331 7.434 -0.103 19302 735 1 1 . 1 1 131 131 GLN N N 131 120.359 120.359 118.761 1.598 19302 736 1 1 . 1 1 131 131 GLN HA H 131 3.846 3.846 3.964 -0.118 19302 737 1 1 . 1 1 131 131 GLN C C 131 178.708 178.708 177.897 0.811 19302 738 1 1 . 1 1 131 131 GLN CA C 131 59.310 59.310 58.909 0.401 19302 739 1 1 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.469 -0.367 19302 740 1 1 . 1 1 131 131 GLN H H 131 7.505 7.505 7.941 -0.436 19302 741 1 1 . 1 1 132 132 LEU N N 132 120.310 120.310 118.581 1.729 19302 742 1 1 . 1 1 132 132 LEU HA H 132 3.848 3.848 4.209 -0.361 19302 743 1 1 . 1 1 132 132 LEU C C 132 179.854 179.854 178.538 1.316 19302 744 1 1 . 1 1 132 132 LEU CA C 132 57.975 57.975 57.217 0.758 19302 745 1 1 . 1 1 132 132 LEU CB C 132 41.902 41.902 42.562 -0.660 19302 746 1 1 . 1 1 132 132 LEU H H 132 8.270 8.270 7.423 0.847 19302 747 1 1 . 1 1 133 133 VAL N N 133 120.909 120.909 120.124 0.785 19302 748 1 1 . 1 1 133 133 VAL HA H 133 4.004 4.004 3.570 0.434 19302 749 1 1 . 1 1 133 133 VAL C C 133 178.791 178.791 178.080 0.711 19302 750 1 1 . 1 1 133 133 VAL CA C 133 58.026 58.026 66.986 -8.960 19302 751 1 1 . 1 1 133 133 VAL CB C 133 32.475 32.475 30.979 1.496 19302 752 1 1 . 1 1 133 133 VAL H H 133 8.162 8.162 8.185 -0.023 19302 753 1 1 . 1 1 134 134 GLN N N 134 120.073 120.073 118.322 1.751 19302 754 1 1 . 1 1 134 134 GLN HA H 134 3.943 3.943 4.057 -0.114 19302 755 1 1 . 1 1 134 134 GLN C C 134 178.374 178.374 178.323 0.051 19302 756 1 1 . 1 1 134 134 GLN CA C 134 57.164 57.164 59.143 -1.979 19302 757 1 1 . 1 1 134 134 GLN CB C 134 29.632 29.632 28.524 1.107 19302 758 1 1 . 1 1 134 134 GLN H H 134 7.837 7.837 8.578 -0.741 19302 759 1 1 . 1 1 135 135 GLU N N 135 118.639 118.639 119.158 -0.519 19302 760 1 1 . 1 1 135 135 GLU HA H 135 3.902 3.902 4.160 -0.258 19302 761 1 1 . 1 1 135 135 GLU C C 135 177.986 177.986 178.060 -0.074 19302 762 1 1 . 1 1 135 135 GLU CA C 135 58.266 58.266 58.356 -0.090 19302 763 1 1 . 1 1 135 135 GLU CB C 135 29.593 29.593 29.682 -0.089 19302 764 1 1 . 1 1 135 135 GLU H H 135 7.989 7.989 7.425 0.564 19302 765 1 1 . 1 1 136 136 GLN N N 136 118.352 118.352 119.010 -0.658 19302 766 1 1 . 1 1 136 136 GLN HA H 136 3.994 3.994 4.124 -0.130 19302 767 1 1 . 1 1 136 136 GLN C C 136 176.807 176.807 178.318 -1.511 19302 768 1 1 . 1 1 136 136 GLN CA C 136 56.762 56.762 58.413 -1.651 19302 769 1 1 . 1 1 136 136 GLN CB C 136 28.835 28.835 29.064 -0.229 19302 770 1 1 . 1 1 136 136 GLN H H 136 7.845 7.845 7.776 0.069 19302 771 1 1 . 1 1 137 137 THR N N 137 113.953 113.953 114.326 -0.373 19302 772 1 1 . 1 1 137 137 THR HA H 137 4.163 4.163 3.903 0.260 19302 773 1 1 . 1 1 137 137 THR C C 137 174.267 174.267 175.262 -0.995 19302 774 1 1 . 1 1 137 137 THR CA C 137 64.611 64.611 64.606 0.006 19302 775 1 1 . 1 1 137 137 THR CB C 137 69.280 69.280 68.576 0.704 19302 776 1 1 . 1 1 137 137 THR H H 137 7.847 7.847 7.862 -0.015 19302 777 1 1 . 1 1 138 138 LYS N N 138 122.289 122.289 121.140 1.149 19302 778 1 1 . 1 1 138 138 LYS C C 138 176.119 176.119 176.792 -0.673 19302 779 1 1 . 1 1 138 138 LYS CA C 138 56.329 56.329 57.017 -0.688 19302 780 1 1 . 1 1 138 138 LYS CB C 138 32.891 32.891 33.095 -0.204 19302 781 1 1 . 1 1 138 138 LYS H H 138 7.607 7.607 7.825 -0.218 19302 782 1 2 . 1 1 2 2 GLU N N 2 123.078 123.078 123.351 -0.273 19302 783 1 2 . 1 1 2 2 GLU HA H 2 4.160 4.160 4.339 -0.179 19302 784 1 2 . 1 1 2 2 GLU C C 2 175.765 175.765 176.018 -0.253 19302 785 1 2 . 1 1 2 2 GLU CA C 2 56.353 56.353 56.624 -0.271 19302 786 1 2 . 1 1 2 2 GLU CB C 2 30.041 30.041 30.182 -0.141 19302 787 1 2 . 1 1 2 2 GLU H H 2 8.313 8.313 8.373 -0.060 19302 788 1 2 . 1 1 3 3 LYS N N 3 124.091 124.091 124.893 -0.802 19302 789 1 2 . 1 1 3 3 LYS HA H 3 4.013 4.013 4.555 -0.542 19302 790 1 2 . 1 1 3 3 LYS C C 3 174.713 174.713 175.356 -0.643 19302 791 1 2 . 1 1 3 3 LYS CA C 3 56.240 56.240 55.764 0.476 19302 792 1 2 . 1 1 3 3 LYS CB C 3 33.400 33.400 32.504 0.896 19302 793 1 2 . 1 1 3 3 LYS H H 3 8.243 8.243 8.541 -0.298 19302 794 1 2 . 1 1 4 4 ASN N N 4 121.184 121.184 119.297 1.887 19302 795 1 2 . 1 1 4 4 ASN C C 4 172.940 172.940 174.305 -1.365 19302 796 1 2 . 1 1 4 4 ASN CA C 4 50.404 50.404 53.515 -3.111 19302 797 1 2 . 1 1 4 4 ASN CB C 4 41.212 41.212 38.330 2.882 19302 798 1 2 . 1 1 4 4 ASN H H 4 8.086 8.086 8.443 -0.357 19302 799 1 2 . 1 1 6 6 PRO HA H 6 4.222 4.222 4.485 -0.263 19302 800 1 2 . 1 1 6 6 PRO C C 6 176.390 176.390 175.818 0.572 19302 801 1 2 . 1 1 6 6 PRO CA C 6 63.267 63.267 63.015 0.252 19302 802 1 2 . 1 1 6 6 PRO CB C 6 32.008 32.008 31.882 0.126 19302 803 1 2 . 1 1 7 7 ASP N N 7 120.412 120.412 127.081 -6.669 19302 804 1 2 . 1 1 7 7 ASP HA H 7 4.402 4.402 4.811 -0.409 19302 805 1 2 . 1 1 7 7 ASP C C 7 175.911 175.911 175.373 0.538 19302 806 1 2 . 1 1 7 7 ASP CA C 7 54.248 54.248 53.664 0.584 19302 807 1 2 . 1 1 7 7 ASP CB C 7 41.210 41.210 40.729 0.481 19302 808 1 2 . 1 1 7 7 ASP H H 7 8.175 8.175 8.318 -0.143 19302 809 1 2 . 1 1 8 8 ASP N N 8 121.448 121.448 118.175 3.273 19302 810 1 2 . 1 1 8 8 ASP HA H 8 4.554 4.554 4.367 0.187 19302 811 1 2 . 1 1 8 8 ASP C C 8 176.334 176.334 176.184 0.150 19302 812 1 2 . 1 1 8 8 ASP CA C 8 54.240 54.240 54.569 -0.329 19302 813 1 2 . 1 1 8 8 ASP CB C 8 41.354 41.354 39.877 1.477 19302 814 1 2 . 1 1 8 8 ASP H H 8 8.080 8.080 8.134 -0.054 19302 815 1 2 . 1 1 9 9 THR N N 9 114.376 114.376 111.538 2.838 19302 816 1 2 . 1 1 9 9 THR HA H 9 4.170 4.170 4.273 -0.103 19302 817 1 2 . 1 1 9 9 THR C C 9 174.565 174.565 175.308 -0.743 19302 818 1 2 . 1 1 9 9 THR CA C 9 62.018 62.018 62.784 -0.766 19302 819 1 2 . 1 1 9 9 THR CB C 9 69.655 69.655 69.212 0.443 19302 820 1 2 . 1 1 9 9 THR H H 9 7.982 7.982 8.044 -0.062 19302 821 1 2 . 1 1 10 10 GLY N N 10 111.726 111.726 110.992 0.734 19302 822 1 2 . 1 1 10 10 GLY C C 10 171.287 171.287 173.304 -2.017 19302 823 1 2 . 1 1 10 10 GLY CA C 10 44.627 44.627 45.557 -0.930 19302 824 1 2 . 1 1 10 10 GLY H H 10 8.051 8.051 8.139 -0.088 19302 825 1 2 . 1 1 11 11 PRO HA H 11 4.298 4.298 4.397 -0.099 19302 826 1 2 . 1 1 11 11 PRO C C 11 176.417 176.417 176.074 0.343 19302 827 1 2 . 1 1 11 11 PRO CA C 11 63.173 63.173 63.416 -0.243 19302 828 1 2 . 1 1 11 11 PRO CB C 11 32.419 32.419 30.418 2.001 19302 829 1 2 . 1 1 12 12 VAL N N 12 120.990 120.990 121.050 -0.060 19302 830 1 2 . 1 1 12 12 VAL HA H 12 3.757 3.757 4.233 -0.476 19302 831 1 2 . 1 1 12 12 VAL C C 12 174.604 174.604 175.854 -1.250 19302 832 1 2 . 1 1 12 12 VAL CA C 12 61.747 61.747 62.671 -0.924 19302 833 1 2 . 1 1 12 12 VAL CB C 12 33.506 33.506 32.931 0.576 19302 834 1 2 . 1 1 12 12 VAL H H 12 7.667 7.667 8.018 -0.351 19302 835 1 2 . 1 1 13 13 HIS N N 13 123.020 123.020 118.559 4.461 19302 836 1 2 . 1 1 13 13 HIS HA H 13 4.387 4.387 4.814 -0.427 19302 837 1 2 . 1 1 13 13 HIS C C 13 173.601 173.601 174.318 -0.717 19302 838 1 2 . 1 1 13 13 HIS CA C 13 55.731 55.731 55.221 0.510 19302 839 1 2 . 1 1 13 13 HIS CB C 13 30.039 30.039 30.046 -0.007 19302 840 1 2 . 1 1 13 13 HIS H H 13 8.088 8.088 8.226 -0.138 19302 841 1 2 . 1 1 14 14 VAL N N 14 126.633 126.633 119.903 6.730 19302 842 1 2 . 1 1 14 14 VAL HA H 14 3.941 3.941 4.214 -0.273 19302 843 1 2 . 1 1 14 14 VAL C C 14 173.591 173.591 175.578 -1.987 19302 844 1 2 . 1 1 14 14 VAL CA C 14 59.095 59.095 58.704 0.391 19302 845 1 2 . 1 1 14 14 VAL CB C 14 32.976 32.976 31.715 1.261 19302 846 1 2 . 1 1 14 14 VAL H H 14 8.128 8.128 8.350 -0.222 19302 847 1 2 . 1 1 15 15 PRO HA H 15 4.042 4.042 4.269 -0.227 19302 848 1 2 . 1 1 15 15 PRO C C 15 175.581 175.581 177.222 -1.641 19302 849 1 2 . 1 1 15 15 PRO CA C 15 62.314 62.314 64.719 -2.405 19302 850 1 2 . 1 1 15 15 PRO CB C 15 31.352 31.352 31.773 -0.421 19302 851 1 2 . 1 1 16 16 LEU N N 16 122.170 122.170 117.212 4.958 19302 852 1 2 . 1 1 16 16 LEU HA H 16 4.073 4.073 4.225 -0.152 19302 853 1 2 . 1 1 16 16 LEU C C 16 180.683 180.683 176.938 3.745 19302 854 1 2 . 1 1 16 16 LEU CA C 16 56.442 56.442 55.084 1.358 19302 855 1 2 . 1 1 16 16 LEU CB C 16 41.855 41.855 41.655 0.200 19302 856 1 2 . 1 1 16 16 LEU H H 16 8.070 8.070 7.981 0.089 19302 857 1 2 . 1 1 17 17 GLY N N 17 114.931 114.931 105.513 9.418 19302 858 1 2 . 1 1 17 17 GLY C C 17 173.075 173.075 174.497 -1.422 19302 859 1 2 . 1 1 17 17 GLY CA C 17 45.757 45.757 44.724 1.032 19302 860 1 2 . 1 1 17 17 GLY H H 17 9.325 9.325 7.216 2.109 19302 861 1 2 . 1 1 18 18 HIS N N 18 117.638 117.638 118.862 -1.224 19302 862 1 2 . 1 1 18 18 HIS HA H 18 5.386 5.386 4.777 0.609 19302 863 1 2 . 1 1 18 18 HIS C C 18 173.186 173.186 175.176 -1.990 19302 864 1 2 . 1 1 18 18 HIS CA C 18 54.007 54.007 55.531 -1.524 19302 865 1 2 . 1 1 18 18 HIS CB C 18 31.691 31.691 30.427 1.264 19302 866 1 2 . 1 1 18 18 HIS H H 18 7.803 7.803 6.695 1.108 19302 867 1 2 . 1 1 19 19 ILE N N 19 114.669 114.669 120.507 -5.838 19302 868 1 2 . 1 1 19 19 ILE HA H 19 4.372 4.372 4.275 0.097 19302 869 1 2 . 1 1 19 19 ILE C C 19 174.449 174.449 175.288 -0.839 19302 870 1 2 . 1 1 19 19 ILE CA C 19 60.368 60.368 58.607 1.761 19302 871 1 2 . 1 1 19 19 ILE CB C 19 42.044 42.044 39.107 2.937 19302 872 1 2 . 1 1 19 19 ILE H H 19 8.059 8.059 8.735 -0.676 19302 873 1 2 . 1 1 20 20 VAL N N 20 124.211 124.211 124.944 -0.733 19302 874 1 2 . 1 1 20 20 VAL HA H 20 4.730 4.730 4.920 -0.190 19302 875 1 2 . 1 1 20 20 VAL C C 20 174.104 174.104 175.326 -1.222 19302 876 1 2 . 1 1 20 20 VAL CA C 20 61.322 61.322 60.843 0.479 19302 877 1 2 . 1 1 20 20 VAL CB C 20 33.255 33.255 32.802 0.453 19302 878 1 2 . 1 1 20 20 VAL H H 20 7.525 7.525 8.030 -0.505 19302 879 1 2 . 1 1 21 21 ALA N N 21 131.125 131.125 127.849 3.276 19302 880 1 2 . 1 1 21 21 ALA HA H 21 5.095 5.095 5.188 -0.093 19302 881 1 2 . 1 1 21 21 ALA C C 21 175.389 175.389 175.902 -0.513 19302 882 1 2 . 1 1 21 21 ALA CA C 21 49.175 49.175 50.152 -0.977 19302 883 1 2 . 1 1 21 21 ALA CB C 21 24.297 24.297 23.385 0.912 19302 884 1 2 . 1 1 21 21 ALA H H 21 9.395 9.395 9.342 0.053 19302 885 1 2 . 1 1 22 22 ASN N N 22 120.999 120.999 121.620 -0.621 19302 886 1 2 . 1 1 22 22 ASN HA H 22 4.805 4.805 4.846 -0.041 19302 887 1 2 . 1 1 22 22 ASN C C 22 176.336 176.336 177.305 -0.969 19302 888 1 2 . 1 1 22 22 ASN CA C 22 54.289 54.289 52.656 1.633 19302 889 1 2 . 1 1 22 22 ASN CB C 22 39.822 39.822 39.666 0.156 19302 890 1 2 . 1 1 22 22 ASN H H 22 8.345 8.345 8.150 0.195 19302 891 1 2 . 1 1 23 23 GLU N N 23 128.726 128.726 128.140 0.586 19302 892 1 2 . 1 1 23 23 GLU HA H 23 3.927 3.927 3.965 -0.038 19302 893 1 2 . 1 1 23 23 GLU C C 23 176.348 176.348 177.618 -1.270 19302 894 1 2 . 1 1 23 23 GLU CA C 23 59.171 59.171 59.990 -0.819 19302 895 1 2 . 1 1 23 23 GLU CB C 23 30.365 30.365 29.819 0.546 19302 896 1 2 . 1 1 23 23 GLU H H 23 7.951 7.951 8.624 -0.673 19302 897 1 2 . 1 1 24 24 LYS N N 24 119.166 119.166 118.864 0.302 19302 898 1 2 . 1 1 24 24 LYS HA H 24 3.895 3.895 4.138 -0.243 19302 899 1 2 . 1 1 24 24 LYS C C 24 176.782 176.782 179.039 -2.257 19302 900 1 2 . 1 1 24 24 LYS CA C 24 58.379 58.379 58.705 -0.326 19302 901 1 2 . 1 1 24 24 LYS CB C 24 30.846 30.846 32.471 -1.625 19302 902 1 2 . 1 1 24 24 LYS H H 24 8.583 8.583 7.822 0.761 19302 903 1 2 . 1 1 25 25 TRP N N 25 118.053 118.053 119.547 -1.494 19302 904 1 2 . 1 1 25 25 TRP HA H 25 4.326 4.326 4.476 -0.150 19302 905 1 2 . 1 1 25 25 TRP C C 25 177.280 177.280 176.498 0.782 19302 906 1 2 . 1 1 25 25 TRP CA C 25 56.722 56.722 58.683 -1.961 19302 907 1 2 . 1 1 25 25 TRP CB C 25 29.506 29.506 29.667 -0.161 19302 908 1 2 . 1 1 25 25 TRP H H 25 8.169 8.169 8.520 -0.351 19302 909 1 2 . 1 1 26 26 ARG N N 26 127.838 127.838 118.981 8.857 19302 910 1 2 . 1 1 26 26 ARG HA H 26 3.302 3.302 4.136 -0.834 19302 911 1 2 . 1 1 26 26 ARG C C 26 177.506 177.506 178.442 -0.936 19302 912 1 2 . 1 1 26 26 ARG CA C 26 59.147 59.147 58.059 1.088 19302 913 1 2 . 1 1 26 26 ARG CB C 26 29.305 29.305 29.613 -0.308 19302 914 1 2 . 1 1 26 26 ARG H H 26 7.879 7.879 7.345 0.534 19302 915 1 2 . 1 1 27 27 GLY N N 27 116.455 116.455 108.049 8.406 19302 916 1 2 . 1 1 27 27 GLY C C 27 174.037 174.037 174.108 -0.071 19302 917 1 2 . 1 1 27 27 GLY CA C 27 45.513 45.513 45.190 0.323 19302 918 1 2 . 1 1 27 27 GLY H H 27 8.968 8.968 7.780 1.188 19302 919 1 2 . 1 1 28 28 SER N N 28 115.316 115.316 114.364 0.952 19302 920 1 2 . 1 1 28 28 SER HA H 28 4.357 4.357 4.529 -0.172 19302 921 1 2 . 1 1 28 28 SER C C 28 174.705 174.705 173.865 0.840 19302 922 1 2 . 1 1 28 28 SER CA C 28 58.055 58.055 57.122 0.933 19302 923 1 2 . 1 1 28 28 SER CB C 28 65.852 65.852 65.526 0.326 19302 924 1 2 . 1 1 28 28 SER H H 28 7.718 7.718 7.863 -0.145 19302 925 1 2 . 1 1 29 29 GLN N N 29 124.252 124.252 122.180 2.072 19302 926 1 2 . 1 1 29 29 GLN HA H 29 3.940 3.940 4.101 -0.161 19302 927 1 2 . 1 1 29 29 GLN C C 29 178.221 178.221 177.488 0.733 19302 928 1 2 . 1 1 29 29 GLN CA C 29 59.678 59.678 58.281 1.397 19302 929 1 2 . 1 1 29 29 GLN CB C 29 27.932 27.932 28.779 -0.847 19302 930 1 2 . 1 1 29 29 GLN H H 29 8.987 8.987 8.691 0.296 19302 931 1 2 . 1 1 30 30 LEU N N 30 119.516 119.516 121.041 -1.525 19302 932 1 2 . 1 1 30 30 LEU HA H 30 3.649 3.649 4.096 -0.447 19302 933 1 2 . 1 1 30 30 LEU C C 30 177.674 177.674 178.149 -0.475 19302 934 1 2 . 1 1 30 30 LEU CA C 30 59.240 59.240 57.853 1.387 19302 935 1 2 . 1 1 30 30 LEU CB C 30 42.377 42.377 41.033 1.344 19302 936 1 2 . 1 1 30 30 LEU H H 30 8.469 8.469 7.629 0.840 19302 937 1 2 . 1 1 31 31 ALA N N 31 118.887 118.887 120.132 -1.245 19302 938 1 2 . 1 1 31 31 ALA HA H 31 3.787 3.787 4.193 -0.406 19302 939 1 2 . 1 1 31 31 ALA C C 31 179.914 179.914 180.224 -0.310 19302 940 1 2 . 1 1 31 31 ALA CA C 31 55.346 55.346 55.226 0.120 19302 941 1 2 . 1 1 31 31 ALA CB C 31 18.725 18.725 18.247 0.478 19302 942 1 2 . 1 1 31 31 ALA H H 31 7.965 7.965 8.500 -0.535 19302 943 1 2 . 1 1 32 32 GLN N N 32 119.187 119.187 115.812 3.375 19302 944 1 2 . 1 1 32 32 GLN HA H 32 3.874 3.874 4.411 -0.537 19302 945 1 2 . 1 1 32 32 GLN C C 32 179.160 179.160 177.795 1.365 19302 946 1 2 . 1 1 32 32 GLN CA C 32 59.072 59.072 57.924 1.148 19302 947 1 2 . 1 1 32 32 GLN CB C 32 28.676 28.676 29.105 -0.429 19302 948 1 2 . 1 1 32 32 GLN H H 32 8.292 8.292 7.653 0.639 19302 949 1 2 . 1 1 33 33 GLU N N 33 117.845 117.845 118.915 -1.070 19302 950 1 2 . 1 1 33 33 GLU HA H 33 3.932 3.932 4.176 -0.244 19302 951 1 2 . 1 1 33 33 GLU C C 33 178.487 178.487 179.049 -0.562 19302 952 1 2 . 1 1 33 33 GLU CA C 33 57.948 57.948 58.805 -0.857 19302 953 1 2 . 1 1 33 33 GLU CB C 33 29.221 29.221 29.756 -0.535 19302 954 1 2 . 1 1 33 33 GLU H H 33 8.157 8.157 7.855 0.302 19302 955 1 2 . 1 1 34 34 MET N N 34 116.546 116.546 118.317 -1.771 19302 956 1 2 . 1 1 34 34 MET HA H 34 3.911 3.911 4.308 -0.397 19302 957 1 2 . 1 1 34 34 MET C C 34 176.992 176.992 177.715 -0.723 19302 958 1 2 . 1 1 34 34 MET CA C 34 58.485 58.485 56.161 2.324 19302 959 1 2 . 1 1 34 34 MET CB C 34 34.045 34.045 31.747 2.298 19302 960 1 2 . 1 1 34 34 MET H H 34 7.452 7.452 8.227 -0.775 19302 961 1 2 . 1 1 35 35 GLN N N 35 118.259 118.259 117.746 0.513 19302 962 1 2 . 1 1 35 35 GLN HA H 35 4.219 4.219 4.375 -0.156 19302 963 1 2 . 1 1 35 35 GLN C C 35 176.544 176.544 177.877 -1.333 19302 964 1 2 . 1 1 35 35 GLN CA C 35 58.039 58.039 57.583 0.456 19302 965 1 2 . 1 1 35 35 GLN CB C 35 28.381 28.381 28.777 -0.396 19302 966 1 2 . 1 1 35 35 GLN H H 35 7.605 7.605 7.817 -0.212 19302 967 1 2 . 1 1 36 36 GLY N N 36 110.354 110.354 105.763 4.591 19302 968 1 2 . 1 1 36 36 GLY C C 36 174.291 174.291 174.920 -0.629 19302 969 1 2 . 1 1 36 36 GLY CA C 36 45.517 45.517 45.728 -0.211 19302 970 1 2 . 1 1 36 36 GLY H H 36 8.178 8.178 7.669 0.509 19302 971 1 2 . 1 1 37 37 LYS N N 37 119.406 119.406 119.208 0.198 19302 972 1 2 . 1 1 37 37 LYS HA H 37 4.254 4.254 4.525 -0.271 19302 973 1 2 . 1 1 37 37 LYS C C 37 175.387 175.387 176.342 -0.955 19302 974 1 2 . 1 1 37 37 LYS CA C 37 57.173 57.173 56.365 0.808 19302 975 1 2 . 1 1 37 37 LYS CB C 37 35.261 35.261 34.489 0.772 19302 976 1 2 . 1 1 37 37 LYS H H 37 7.837 7.837 7.535 0.302 19302 977 1 2 . 1 1 38 38 ILE N N 38 118.201 118.201 119.415 -1.214 19302 978 1 2 . 1 1 38 38 ILE HA H 38 4.138 4.138 4.375 -0.237 19302 979 1 2 . 1 1 38 38 ILE C C 38 172.937 172.937 173.691 -0.754 19302 980 1 2 . 1 1 38 38 ILE CA C 38 59.055 59.055 59.045 0.010 19302 981 1 2 . 1 1 38 38 ILE CB C 38 41.631 41.631 41.396 0.235 19302 982 1 2 . 1 1 38 38 ILE H H 38 7.821 7.821 8.275 -0.454 19302 983 1 2 . 1 1 39 39 LYS N N 39 122.826 122.826 122.407 0.419 19302 984 1 2 . 1 1 39 39 LYS HA H 39 4.187 4.187 4.285 -0.098 19302 985 1 2 . 1 1 39 39 LYS C C 39 174.751 174.751 174.458 0.293 19302 986 1 2 . 1 1 39 39 LYS CA C 39 55.865 55.865 56.379 -0.514 19302 987 1 2 . 1 1 39 39 LYS CB C 39 33.007 33.007 33.049 -0.042 19302 988 1 2 . 1 1 39 39 LYS H H 39 7.126 7.126 8.589 -1.463 19302 989 1 2 . 1 1 40 40 LEU N N 40 124.298 124.298 127.035 -2.737 19302 990 1 2 . 1 1 40 40 LEU HA H 40 4.667 4.667 5.246 -0.579 19302 991 1 2 . 1 1 40 40 LEU C C 40 176.473 176.473 175.587 0.886 19302 992 1 2 . 1 1 40 40 LEU CA C 40 54.607 54.607 53.529 1.078 19302 993 1 2 . 1 1 40 40 LEU CB C 40 44.102 44.102 44.930 -0.828 19302 994 1 2 . 1 1 40 40 LEU H H 40 8.102 8.102 8.376 -0.274 19302 995 1 2 . 1 1 41 41 ILE N N 41 124.128 124.128 125.254 -1.126 19302 996 1 2 . 1 1 41 41 ILE HA H 41 4.092 4.092 4.013 0.079 19302 997 1 2 . 1 1 41 41 ILE C C 41 174.360 174.360 174.503 -0.143 19302 998 1 2 . 1 1 41 41 ILE CA C 41 60.208 60.208 59.915 0.293 19302 999 1 2 . 1 1 41 41 ILE CB C 41 40.867 40.867 39.984 0.883 19302 1000 1 2 . 1 1 41 41 ILE H H 41 8.208 8.208 9.045 -0.837 19302 1001 1 2 . 1 1 42 42 PHE N N 42 125.226 125.226 123.891 1.335 19302 1002 1 2 . 1 1 42 42 PHE HA H 42 5.501 5.501 5.588 -0.087 19302 1003 1 2 . 1 1 42 42 PHE C C 42 176.313 176.313 176.222 0.091 19302 1004 1 2 . 1 1 42 42 PHE CA C 42 57.720 57.720 56.098 1.622 19302 1005 1 2 . 1 1 42 42 PHE CB C 42 41.630 41.630 40.485 1.145 19302 1006 1 2 . 1 1 42 42 PHE H H 42 8.636 8.636 8.373 0.263 19302 1007 1 2 . 1 1 43 43 GLU N N 43 121.397 121.397 125.095 -3.698 19302 1008 1 2 . 1 1 43 43 GLU HA H 43 4.643 4.643 4.612 0.031 19302 1009 1 2 . 1 1 43 43 GLU C C 43 175.211 175.211 175.124 0.087 19302 1010 1 2 . 1 1 43 43 GLU CA C 43 55.131 55.131 55.216 -0.085 19302 1011 1 2 . 1 1 43 43 GLU CB C 43 33.367 33.367 33.367 0.000 19302 1012 1 2 . 1 1 43 43 GLU H H 43 8.589 8.589 8.745 -0.156 19302 1013 1 2 . 1 1 44 44 ASP N N 44 124.759 124.759 126.148 -1.389 19302 1014 1 2 . 1 1 44 44 ASP HA H 44 4.708 4.708 4.489 0.219 19302 1015 1 2 . 1 1 44 44 ASP C C 44 177.308 177.308 177.005 0.303 19302 1016 1 2 . 1 1 44 44 ASP CA C 44 53.737 53.737 55.126 -1.389 19302 1017 1 2 . 1 1 44 44 ASP CB C 44 42.365 42.365 41.144 1.221 19302 1018 1 2 . 1 1 44 44 ASP H H 44 8.729 8.729 8.789 -0.060 19302 1019 1 2 . 1 1 45 45 GLY N N 45 108.414 108.414 114.222 -5.808 19302 1020 1 2 . 1 1 45 45 GLY C C 45 174.426 174.426 174.402 0.024 19302 1021 1 2 . 1 1 45 45 GLY CA C 45 46.367 46.367 44.816 1.551 19302 1022 1 2 . 1 1 45 45 GLY H H 45 8.564 8.564 8.488 0.076 19302 1023 1 2 . 1 1 46 46 LEU N N 46 119.025 119.025 122.343 -3.318 19302 1024 1 2 . 1 1 46 46 LEU HA H 46 4.356 4.356 4.215 0.141 19302 1025 1 2 . 1 1 46 46 LEU C C 46 177.414 177.414 177.264 0.150 19302 1026 1 2 . 1 1 46 46 LEU CA C 46 54.189 54.189 55.949 -1.760 19302 1027 1 2 . 1 1 46 46 LEU CB C 46 43.853 43.853 42.492 1.361 19302 1028 1 2 . 1 1 46 46 LEU H H 46 7.130 7.130 8.074 -0.944 19302 1029 1 2 . 1 1 47 47 THR N N 47 117.926 117.926 114.527 3.399 19302 1030 1 2 . 1 1 47 47 THR HA H 47 4.326 4.326 4.473 -0.147 19302 1031 1 2 . 1 1 47 47 THR CA C 47 67.458 67.458 62.524 4.934 19302 1032 1 2 . 1 1 47 47 THR H H 47 9.042 9.042 8.202 0.840 19302 1033 1 2 . 1 1 48 48 PRO HA H 48 4.163 4.163 4.199 -0.036 19302 1034 1 2 . 1 1 48 48 PRO CA C 48 62.301 62.301 62.673 -0.372 19302 1035 1 2 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.002 -0.478 19302 1036 1 2 . 1 1 49 49 ASP N N 49 116.671 116.671 117.899 -1.228 19302 1037 1 2 . 1 1 49 49 ASP HA H 49 4.336 4.336 3.787 0.549 19302 1038 1 2 . 1 1 49 49 ASP C C 49 174.082 174.082 175.156 -1.074 19302 1039 1 2 . 1 1 49 49 ASP CA C 49 58.985 58.985 56.084 2.901 19302 1040 1 2 . 1 1 49 49 ASP CB C 49 43.773 43.773 41.790 1.983 19302 1041 1 2 . 1 1 49 49 ASP H H 49 7.731 7.731 7.790 -0.059 19302 1042 1 2 . 1 1 50 50 PHE N N 50 109.227 109.227 115.750 -6.523 19302 1043 1 2 . 1 1 50 50 PHE HA H 50 5.488 5.488 5.461 0.027 19302 1044 1 2 . 1 1 50 50 PHE C C 50 175.293 175.293 174.371 0.922 19302 1045 1 2 . 1 1 50 50 PHE CA C 50 55.516 55.516 56.048 -0.532 19302 1046 1 2 . 1 1 50 50 PHE CB C 50 43.280 43.280 43.198 0.082 19302 1047 1 2 . 1 1 50 50 PHE H H 50 7.324 7.324 7.817 -0.493 19302 1048 1 2 . 1 1 51 51 TYR N N 51 122.688 122.688 122.501 0.187 19302 1049 1 2 . 1 1 51 51 TYR HA H 51 4.717 4.717 4.870 -0.153 19302 1050 1 2 . 1 1 51 51 TYR C C 51 174.427 174.427 175.303 -0.876 19302 1051 1 2 . 1 1 51 51 TYR CA C 51 59.097 59.097 57.331 1.766 19302 1052 1 2 . 1 1 51 51 TYR CB C 51 39.893 39.893 39.660 0.233 19302 1053 1 2 . 1 1 51 51 TYR H H 51 9.944 9.944 8.692 1.252 19302 1054 1 2 . 1 1 52 52 LEU N N 52 121.948 121.948 128.900 -6.952 19302 1055 1 2 . 1 1 52 52 LEU HA H 52 4.231 4.231 4.150 0.081 19302 1056 1 2 . 1 1 52 52 LEU C C 52 175.771 175.771 176.348 -0.577 19302 1057 1 2 . 1 1 52 52 LEU CA C 52 55.320 55.320 57.093 -1.773 19302 1058 1 2 . 1 1 52 52 LEU CB C 52 42.874 42.874 43.060 -0.186 19302 1059 1 2 . 1 1 52 52 LEU H H 52 8.225 8.225 8.509 -0.284 19302 1060 1 2 . 1 1 53 53 SER N N 53 111.729 111.729 112.391 -0.662 19302 1061 1 2 . 1 1 53 53 SER HA H 53 4.267 4.267 4.615 -0.348 19302 1062 1 2 . 1 1 53 53 SER C C 53 173.134 173.134 172.931 0.203 19302 1063 1 2 . 1 1 53 53 SER CA C 53 56.843 56.843 57.703 -0.860 19302 1064 1 2 . 1 1 53 53 SER CB C 53 64.642 64.642 64.478 0.164 19302 1065 1 2 . 1 1 53 53 SER H H 53 8.487 8.487 7.784 0.703 19302 1066 1 2 . 1 1 54 54 ASN N N 54 116.204 116.204 119.125 -2.921 19302 1067 1 2 . 1 1 54 54 ASN HA H 54 4.388 4.388 4.702 -0.314 19302 1068 1 2 . 1 1 54 54 ASN C C 54 175.095 175.095 174.204 0.891 19302 1069 1 2 . 1 1 54 54 ASN CA C 54 55.905 55.905 53.518 2.387 19302 1070 1 2 . 1 1 54 54 ASN CB C 54 37.761 37.761 39.379 -1.617 19302 1071 1 2 . 1 1 54 54 ASN H H 54 8.682 8.682 8.560 0.122 19302 1072 1 2 . 1 1 55 55 ARG N N 55 112.605 112.605 118.691 -6.086 19302 1073 1 2 . 1 1 55 55 ARG HA H 55 4.607 4.607 4.565 0.042 19302 1074 1 2 . 1 1 55 55 ARG C C 55 175.506 175.506 173.850 1.656 19302 1075 1 2 . 1 1 55 55 ARG CA C 55 55.586 55.586 56.051 -0.465 19302 1076 1 2 . 1 1 55 55 ARG CB C 55 31.688 31.688 32.056 -0.368 19302 1077 1 2 . 1 1 55 55 ARG H H 55 7.783 7.783 8.059 -0.276 19302 1078 1 2 . 1 1 56 56 CYS N N 56 122.261 122.261 117.775 4.486 19302 1079 1 2 . 1 1 56 56 CYS HA H 56 5.194 5.194 4.993 0.201 19302 1080 1 2 . 1 1 56 56 CYS C C 56 172.619 172.619 172.506 0.113 19302 1081 1 2 . 1 1 56 56 CYS CA C 56 58.099 58.099 57.947 0.152 19302 1082 1 2 . 1 1 56 56 CYS CB C 56 28.338 28.338 29.149 -0.812 19302 1083 1 2 . 1 1 56 56 CYS H H 56 7.379 7.379 8.071 -0.692 19302 1084 1 2 . 1 1 57 57 CYS N N 57 124.705 124.705 121.778 2.927 19302 1085 1 2 . 1 1 57 57 CYS HA H 57 5.380 5.380 5.008 0.372 19302 1086 1 2 . 1 1 57 57 CYS C C 57 160.640 160.640 172.460 -11.820 19302 1087 1 2 . 1 1 57 57 CYS CA C 57 54.521 54.521 55.867 -1.346 19302 1088 1 2 . 1 1 57 57 CYS CB C 57 32.506 32.506 31.225 1.281 19302 1089 1 2 . 1 1 57 57 CYS H H 57 8.980 8.980 8.274 0.706 19302 1090 1 2 . 1 1 58 58 ILE N N 58 118.279 118.279 119.320 -1.041 19302 1091 1 2 . 1 1 58 58 ILE HA H 58 5.181 5.181 4.877 0.304 19302 1092 1 2 . 1 1 58 58 ILE C C 58 175.707 175.707 174.423 1.284 19302 1093 1 2 . 1 1 58 58 ILE CA C 58 58.535 58.535 60.337 -1.802 19302 1094 1 2 . 1 1 58 58 ILE CB C 58 41.538 41.538 41.339 0.199 19302 1095 1 2 . 1 1 58 58 ILE H H 58 8.960 8.960 8.794 0.166 19302 1096 1 2 . 1 1 59 59 LEU N N 59 130.422 130.422 127.580 2.842 19302 1097 1 2 . 1 1 59 59 LEU HA H 59 4.716 4.716 4.627 0.089 19302 1098 1 2 . 1 1 59 59 LEU C C 59 172.275 172.275 174.857 -2.582 19302 1099 1 2 . 1 1 59 59 LEU CA C 59 53.756 53.756 53.687 0.069 19302 1100 1 2 . 1 1 59 59 LEU CB C 59 42.530 42.530 45.278 -2.748 19302 1101 1 2 . 1 1 59 59 LEU H H 59 9.078 9.078 8.342 0.736 19302 1102 1 2 . 1 1 60 60 TYR N N 60 129.820 129.820 127.554 2.266 19302 1103 1 2 . 1 1 60 60 TYR HA H 60 5.110 5.110 4.635 0.475 19302 1104 1 2 . 1 1 60 60 TYR C C 60 174.911 174.911 174.524 0.387 19302 1105 1 2 . 1 1 60 60 TYR CA C 60 56.689 56.689 58.205 -1.516 19302 1106 1 2 . 1 1 60 60 TYR CB C 60 41.643 41.643 39.316 2.327 19302 1107 1 2 . 1 1 60 60 TYR H H 60 10.120 10.120 9.232 0.888 19302 1108 1 2 . 1 1 61 61 VAL N N 61 132.504 132.504 129.366 3.138 19302 1109 1 2 . 1 1 61 61 VAL HA H 61 4.232 4.232 4.341 -0.109 19302 1110 1 2 . 1 1 61 61 VAL C C 61 174.433 174.433 175.345 -0.912 19302 1111 1 2 . 1 1 61 61 VAL CA C 61 61.641 61.641 60.524 1.117 19302 1112 1 2 . 1 1 61 61 VAL CB C 61 33.305 33.305 33.781 -0.476 19302 1113 1 2 . 1 1 61 61 VAL H H 61 8.903 8.903 8.803 0.100 19302 1114 1 2 . 1 1 62 62 THR N N 62 116.863 116.863 114.833 2.030 19302 1115 1 2 . 1 1 62 62 THR HA H 62 4.024 4.024 4.810 -0.786 19302 1116 1 2 . 1 1 62 62 THR C C 62 175.118 175.118 175.926 -0.808 19302 1117 1 2 . 1 1 62 62 THR CA C 62 60.650 60.650 59.212 1.438 19302 1118 1 2 . 1 1 62 62 THR CB C 62 72.134 72.134 72.104 0.030 19302 1119 1 2 . 1 1 62 62 THR H H 62 8.559 8.559 8.892 -0.333 19302 1120 1 2 . 1 1 63 63 GLU N N 63 120.767 120.767 124.427 -3.660 19302 1121 1 2 . 1 1 63 63 GLU HA H 63 3.776 3.776 3.870 -0.094 19302 1122 1 2 . 1 1 63 63 GLU C C 63 177.194 177.194 177.829 -0.635 19302 1123 1 2 . 1 1 63 63 GLU CA C 63 60.496 60.496 60.217 0.279 19302 1124 1 2 . 1 1 63 63 GLU CB C 63 30.709 30.709 28.723 1.986 19302 1125 1 2 . 1 1 63 63 GLU H H 63 9.165 9.165 8.970 0.195 19302 1126 1 2 . 1 1 64 64 ALA N N 64 119.167 119.167 122.125 -2.958 19302 1127 1 2 . 1 1 64 64 ALA HA H 64 3.998 3.998 4.058 -0.060 19302 1128 1 2 . 1 1 64 64 ALA C C 64 180.477 180.477 179.014 1.463 19302 1129 1 2 . 1 1 64 64 ALA CA C 64 54.912 54.912 54.486 0.426 19302 1130 1 2 . 1 1 64 64 ALA CB C 64 17.899 17.899 18.134 -0.235 19302 1131 1 2 . 1 1 64 64 ALA H H 64 7.919 7.919 7.946 -0.027 19302 1132 1 2 . 1 1 65 65 ASP N N 65 119.995 119.995 118.967 1.028 19302 1133 1 2 . 1 1 65 65 ASP HA H 65 4.026 4.026 4.288 -0.262 19302 1134 1 2 . 1 1 65 65 ASP C C 65 177.891 177.891 178.758 -0.867 19302 1135 1 2 . 1 1 65 65 ASP CA C 65 57.412 57.412 56.181 1.231 19302 1136 1 2 . 1 1 65 65 ASP CB C 65 41.112 41.112 40.321 0.791 19302 1137 1 2 . 1 1 65 65 ASP H H 65 7.851 7.851 8.348 -0.497 19302 1138 1 2 . 1 1 66 66 LEU N N 66 118.585 118.585 122.265 -3.680 19302 1139 1 2 . 1 1 66 66 LEU HA H 66 3.813 3.813 4.044 -0.231 19302 1140 1 2 . 1 1 66 66 LEU C C 66 178.892 178.892 178.595 0.297 19302 1141 1 2 . 1 1 66 66 LEU CA C 66 56.943 56.943 58.122 -1.179 19302 1142 1 2 . 1 1 66 66 LEU CB C 66 41.700 41.700 42.030 -0.330 19302 1143 1 2 . 1 1 66 66 LEU H H 66 7.210 7.210 7.373 -0.163 19302 1144 1 2 . 1 1 67 67 VAL N N 67 117.714 117.714 119.630 -1.916 19302 1145 1 2 . 1 1 67 67 VAL HA H 67 3.088 3.088 3.682 -0.594 19302 1146 1 2 . 1 1 67 67 VAL C C 67 177.430 177.430 176.108 1.322 19302 1147 1 2 . 1 1 67 67 VAL CA C 67 64.392 64.392 65.156 -0.764 19302 1148 1 2 . 1 1 67 67 VAL CB C 67 31.974 31.974 31.213 0.761 19302 1149 1 2 . 1 1 67 67 VAL H H 67 7.774 7.774 7.995 -0.221 19302 1150 1 2 . 1 1 68 68 ALA N N 68 120.210 120.210 120.290 -0.080 19302 1151 1 2 . 1 1 68 68 ALA HA H 68 3.992 3.992 4.552 -0.560 19302 1152 1 2 . 1 1 68 68 ALA C C 68 178.127 178.127 177.074 1.053 19302 1153 1 2 . 1 1 68 68 ALA CA C 68 53.540 53.540 51.625 1.915 19302 1154 1 2 . 1 1 68 68 ALA CB C 68 18.849 18.849 18.813 0.036 19302 1155 1 2 . 1 1 68 68 ALA H H 68 7.336 7.336 7.627 -0.291 19302 1156 1 2 . 1 1 69 69 GLY N N 69 106.149 106.149 108.126 -1.977 19302 1157 1 2 . 1 1 69 69 GLY C C 69 173.298 173.298 175.065 -1.767 19302 1158 1 2 . 1 1 69 69 GLY CA C 69 45.057 45.057 47.021 -1.964 19302 1159 1 2 . 1 1 69 69 GLY H H 69 7.143 7.143 8.144 -1.001 19302 1160 1 2 . 1 1 70 70 ASN N N 70 118.879 118.879 119.582 -0.703 19302 1161 1 2 . 1 1 70 70 ASN HA H 70 4.855 4.855 4.315 0.540 19302 1162 1 2 . 1 1 70 70 ASN C C 70 177.766 177.766 177.208 0.558 19302 1163 1 2 . 1 1 70 70 ASN CA C 70 52.611 52.611 55.278 -2.667 19302 1164 1 2 . 1 1 70 70 ASN CB C 70 38.356 38.356 36.876 1.480 19302 1165 1 2 . 1 1 70 70 ASN H H 70 8.316 8.316 8.325 -0.009 19302 1166 1 2 . 1 1 71 71 GLY N N 71 114.725 114.725 106.905 7.820 19302 1167 1 2 . 1 1 71 71 GLY C C 71 176.515 176.515 176.163 0.352 19302 1168 1 2 . 1 1 71 71 GLY CA C 71 47.575 47.575 45.913 1.663 19302 1169 1 2 . 1 1 71 71 GLY H H 71 8.812 8.812 7.627 1.185 19302 1170 1 2 . 1 1 72 72 TYR N N 72 118.594 118.594 124.162 -5.568 19302 1171 1 2 . 1 1 72 72 TYR HA H 72 4.182 4.182 4.186 -0.004 19302 1172 1 2 . 1 1 72 72 TYR C C 72 176.205 176.205 177.144 -0.939 19302 1173 1 2 . 1 1 72 72 TYR CA C 72 59.287 59.287 60.005 -0.718 19302 1174 1 2 . 1 1 72 72 TYR CB C 72 37.305 37.305 38.392 -1.087 19302 1175 1 2 . 1 1 72 72 TYR H H 72 8.067 8.067 7.636 0.431 19302 1176 1 2 . 1 1 73 73 ARG N N 73 119.967 119.967 119.156 0.811 19302 1177 1 2 . 1 1 73 73 ARG HA H 73 3.261 3.261 3.801 -0.540 19302 1178 1 2 . 1 1 73 73 ARG C C 73 177.612 177.612 178.397 -0.785 19302 1179 1 2 . 1 1 73 73 ARG CA C 73 59.984 59.984 59.731 0.253 19302 1180 1 2 . 1 1 73 73 ARG CB C 73 29.286 29.286 29.892 -0.606 19302 1181 1 2 . 1 1 73 73 ARG H H 73 6.715 6.715 8.403 -1.688 19302 1182 1 2 . 1 1 74 74 LYS N N 74 116.928 116.928 117.929 -1.001 19302 1183 1 2 . 1 1 74 74 LYS HA H 74 3.728 3.728 4.052 -0.324 19302 1184 1 2 . 1 1 74 74 LYS C C 74 179.161 179.161 179.030 0.131 19302 1185 1 2 . 1 1 74 74 LYS CA C 74 59.770 59.770 58.699 1.071 19302 1186 1 2 . 1 1 74 74 LYS CB C 74 32.037 32.037 31.863 0.174 19302 1187 1 2 . 1 1 74 74 LYS H H 74 7.169 7.169 7.852 -0.683 19302 1188 1 2 . 1 1 75 75 ARG N N 75 117.727 117.727 119.439 -1.712 19302 1189 1 2 . 1 1 75 75 ARG HA H 75 3.753 3.753 3.856 -0.103 19302 1190 1 2 . 1 1 75 75 ARG C C 75 177.176 177.176 178.190 -1.014 19302 1191 1 2 . 1 1 75 75 ARG CA C 75 59.596 59.596 58.316 1.280 19302 1192 1 2 . 1 1 75 75 ARG CB C 75 31.110 31.110 28.721 2.389 19302 1193 1 2 . 1 1 75 75 ARG H H 75 7.511 7.511 7.687 -0.176 19302 1194 1 2 . 1 1 76 76 LEU N N 76 118.105 118.105 118.667 -0.562 19302 1195 1 2 . 1 1 76 76 LEU HA H 76 3.575 3.575 3.918 -0.343 19302 1196 1 2 . 1 1 76 76 LEU C C 76 178.325 178.325 178.522 -0.197 19302 1197 1 2 . 1 1 76 76 LEU CA C 76 59.496 59.496 57.621 1.875 19302 1198 1 2 . 1 1 76 76 LEU CB C 76 41.124 41.124 42.062 -0.938 19302 1199 1 2 . 1 1 76 76 LEU H H 76 6.770 6.770 7.454 -0.684 19302 1200 1 2 . 1 1 77 77 VAL N N 77 117.854 117.854 120.070 -2.216 19302 1201 1 2 . 1 1 77 77 VAL HA H 77 3.243 3.243 3.651 -0.408 19302 1202 1 2 . 1 1 77 77 VAL C C 77 177.335 177.335 178.587 -1.252 19302 1203 1 2 . 1 1 77 77 VAL CA C 77 66.596 66.596 65.640 0.956 19302 1204 1 2 . 1 1 77 77 VAL CB C 77 31.703 31.703 31.013 0.690 19302 1205 1 2 . 1 1 77 77 VAL H H 77 7.800 7.800 7.612 0.188 19302 1206 1 2 . 1 1 78 78 ARG N N 78 118.783 118.783 119.797 -1.014 19302 1207 1 2 . 1 1 78 78 ARG HA H 78 3.872 3.872 3.959 -0.087 19302 1208 1 2 . 1 1 78 78 ARG C C 78 179.484 179.484 178.846 0.638 19302 1209 1 2 . 1 1 78 78 ARG CA C 78 59.337 59.337 58.840 0.497 19302 1210 1 2 . 1 1 78 78 ARG CB C 78 29.921 29.921 29.547 0.374 19302 1211 1 2 . 1 1 78 78 ARG H H 78 7.385 7.385 7.793 -0.408 19302 1212 1 2 . 1 1 79 79 VAL N N 79 118.747 118.747 118.286 0.461 19302 1213 1 2 . 1 1 79 79 VAL HA H 79 3.434 3.434 3.719 -0.285 19302 1214 1 2 . 1 1 79 79 VAL C C 79 177.902 177.902 177.241 0.661 19302 1215 1 2 . 1 1 79 79 VAL CA C 79 66.771 66.771 66.320 0.451 19302 1216 1 2 . 1 1 79 79 VAL CB C 79 31.327 31.327 31.838 -0.511 19302 1217 1 2 . 1 1 79 79 VAL H H 79 7.374 7.374 8.149 -0.775 19302 1218 1 2 . 1 1 80 80 ARG N N 80 122.868 122.868 120.728 2.140 19302 1219 1 2 . 1 1 80 80 ARG HA H 80 3.960 3.960 4.451 -0.491 19302 1220 1 2 . 1 1 80 80 ARG C C 80 177.893 177.893 178.174 -0.281 19302 1221 1 2 . 1 1 80 80 ARG CA C 80 58.256 58.256 58.441 -0.184 19302 1222 1 2 . 1 1 80 80 ARG CB C 80 29.141 29.141 30.166 -1.024 19302 1223 1 2 . 1 1 80 80 ARG H H 80 8.268 8.268 8.625 -0.357 19302 1224 1 2 . 1 1 81 81 ASN N N 81 115.469 115.469 116.557 -1.088 19302 1225 1 2 . 1 1 81 81 ASN HA H 81 4.528 4.528 4.551 -0.023 19302 1226 1 2 . 1 1 81 81 ASN C C 81 175.329 175.329 176.363 -1.034 19302 1227 1 2 . 1 1 81 81 ASN CA C 81 53.553 53.553 55.395 -1.842 19302 1228 1 2 . 1 1 81 81 ASN CB C 81 38.358 38.358 38.508 -0.150 19302 1229 1 2 . 1 1 81 81 ASN H H 81 7.878 7.878 8.077 -0.199 19302 1230 1 2 . 1 1 82 82 SER N N 82 117.226 117.226 112.667 4.559 19302 1231 1 2 . 1 1 82 82 SER HA H 82 4.350 4.350 4.430 -0.080 19302 1232 1 2 . 1 1 82 82 SER C C 82 175.243 175.243 174.476 0.767 19302 1233 1 2 . 1 1 82 82 SER CA C 82 59.045 59.045 59.168 -0.123 19302 1234 1 2 . 1 1 82 82 SER CB C 82 63.929 63.929 63.835 0.094 19302 1235 1 2 . 1 1 82 82 SER H H 82 7.528 7.528 8.227 -0.699 19302 1236 1 2 . 1 1 83 83 ASN N N 83 121.059 121.059 117.682 3.377 19302 1237 1 2 . 1 1 83 83 ASN HA H 83 4.402 4.402 4.925 -0.523 19302 1238 1 2 . 1 1 83 83 ASN C C 83 175.260 175.260 173.322 1.938 19302 1239 1 2 . 1 1 83 83 ASN CA C 83 54.583 54.583 52.055 2.528 19302 1240 1 2 . 1 1 83 83 ASN CB C 83 38.909 38.909 40.260 -1.351 19302 1241 1 2 . 1 1 83 83 ASN H H 83 8.348 8.348 7.871 0.477 19302 1242 1 2 . 1 1 84 84 ASN N N 84 117.070 117.070 117.506 -0.436 19302 1243 1 2 . 1 1 84 84 ASN HA H 84 4.422 4.422 4.910 -0.488 19302 1244 1 2 . 1 1 84 84 ASN C C 84 173.609 173.609 174.296 -0.687 19302 1245 1 2 . 1 1 84 84 ASN CA C 84 53.753 53.753 53.050 0.703 19302 1246 1 2 . 1 1 84 84 ASN CB C 84 38.551 38.551 38.843 -0.292 19302 1247 1 2 . 1 1 84 84 ASN H H 84 8.466 8.466 8.431 0.035 19302 1248 1 2 . 1 1 85 85 LEU N N 85 119.048 119.048 120.894 -1.846 19302 1249 1 2 . 1 1 85 85 LEU HA H 85 4.518 4.518 4.621 -0.103 19302 1250 1 2 . 1 1 85 85 LEU C C 85 175.397 175.397 176.364 -0.967 19302 1251 1 2 . 1 1 85 85 LEU CA C 85 54.094 54.094 53.807 0.287 19302 1252 1 2 . 1 1 85 85 LEU CB C 85 44.902 44.902 42.699 2.203 19302 1253 1 2 . 1 1 85 85 LEU H H 85 7.453 7.453 7.541 -0.088 19302 1254 1 2 . 1 1 86 86 LYS N N 86 125.959 125.959 119.277 6.682 19302 1255 1 2 . 1 1 86 86 LYS HA H 86 4.397 4.397 4.496 -0.099 19302 1256 1 2 . 1 1 86 86 LYS C C 86 175.209 175.209 176.192 -0.983 19302 1257 1 2 . 1 1 86 86 LYS CA C 86 54.934 54.934 55.943 -1.009 19302 1258 1 2 . 1 1 86 86 LYS CB C 86 33.581 33.581 32.658 0.923 19302 1259 1 2 . 1 1 86 86 LYS H H 86 8.242 8.242 8.278 -0.036 19302 1260 1 2 . 1 1 87 87 GLY N N 87 113.359 113.359 110.068 3.291 19302 1261 1 2 . 1 1 87 87 GLY C C 87 171.780 171.780 172.404 -0.624 19302 1262 1 2 . 1 1 87 87 GLY CA C 87 44.894 44.894 43.633 1.260 19302 1263 1 2 . 1 1 87 87 GLY H H 87 8.840 8.840 8.231 0.609 19302 1264 1 2 . 1 1 88 88 ILE N N 88 125.743 125.743 120.617 5.126 19302 1265 1 2 . 1 1 88 88 ILE HA H 88 4.077 4.077 4.849 -0.772 19302 1266 1 2 . 1 1 88 88 ILE C C 88 174.254 174.254 175.512 -1.258 19302 1267 1 2 . 1 1 88 88 ILE CA C 88 60.766 60.766 60.749 0.017 19302 1268 1 2 . 1 1 88 88 ILE CB C 88 40.483 40.483 40.182 0.301 19302 1269 1 2 . 1 1 88 88 ILE H H 88 8.411 8.411 8.377 0.034 19302 1270 1 2 . 1 1 89 89 VAL N N 89 129.556 129.556 128.765 0.791 19302 1271 1 2 . 1 1 89 89 VAL HA H 89 4.762 4.762 4.572 0.190 19302 1272 1 2 . 1 1 89 89 VAL C C 89 174.205 174.205 175.060 -0.855 19302 1273 1 2 . 1 1 89 89 VAL CA C 89 61.224 61.224 61.604 -0.380 19302 1274 1 2 . 1 1 89 89 VAL CB C 89 31.924 31.924 33.186 -1.262 19302 1275 1 2 . 1 1 89 89 VAL H H 89 8.859 8.859 9.255 -0.396 19302 1276 1 2 . 1 1 90 90 VAL N N 90 130.678 130.678 126.810 3.868 19302 1277 1 2 . 1 1 90 90 VAL HA H 90 4.804 4.804 4.486 0.318 19302 1278 1 2 . 1 1 90 90 VAL C C 90 173.650 173.650 175.047 -1.397 19302 1279 1 2 . 1 1 90 90 VAL CA C 90 60.478 60.478 61.009 -0.531 19302 1280 1 2 . 1 1 90 90 VAL CB C 90 33.666 33.666 33.444 0.222 19302 1281 1 2 . 1 1 90 90 VAL H H 90 8.747 8.747 8.832 -0.085 19302 1282 1 2 . 1 1 91 91 VAL N N 91 122.793 122.793 122.591 0.202 19302 1283 1 2 . 1 1 91 91 VAL HA H 91 5.019 5.019 4.401 0.618 19302 1284 1 2 . 1 1 91 91 VAL C C 91 173.241 173.241 174.528 -1.287 19302 1285 1 2 . 1 1 91 91 VAL CA C 91 56.898 56.898 60.406 -3.507 19302 1286 1 2 . 1 1 91 91 VAL CB C 91 35.349 35.349 35.613 -0.264 19302 1287 1 2 . 1 1 91 91 VAL H H 91 7.758 7.758 8.395 -0.637 19302 1288 1 2 . 1 1 92 92 GLU N N 92 125.925 125.925 125.099 0.826 19302 1289 1 2 . 1 1 92 92 GLU HA H 92 4.208 4.208 4.434 -0.226 19302 1290 1 2 . 1 1 92 92 GLU C C 92 173.665 173.665 175.396 -1.731 19302 1291 1 2 . 1 1 92 92 GLU CA C 92 55.740 55.740 55.420 0.320 19302 1292 1 2 . 1 1 92 92 GLU CB C 92 29.433 29.433 31.057 -1.624 19302 1293 1 2 . 1 1 92 92 GLU H H 92 7.501 7.501 8.028 -0.527 19302 1294 1 2 . 1 1 93 93 LYS N N 93 132.415 132.415 126.418 5.997 19302 1295 1 2 . 1 1 93 93 LYS HA H 93 4.033 4.033 4.147 -0.114 19302 1296 1 2 . 1 1 93 93 LYS C C 93 173.582 173.582 176.363 -2.781 19302 1297 1 2 . 1 1 93 93 LYS CA C 93 55.460 55.460 57.439 -1.979 19302 1298 1 2 . 1 1 93 93 LYS CB C 93 33.506 33.506 32.969 0.537 19302 1299 1 2 . 1 1 93 93 LYS H H 93 9.015 9.015 8.677 0.338 19302 1300 1 2 . 1 1 94 94 THR N N 94 118.315 118.315 116.262 2.053 19302 1301 1 2 . 1 1 94 94 THR HA H 94 4.600 4.600 4.459 0.141 19302 1302 1 2 . 1 1 94 94 THR C C 94 174.933 174.933 174.001 0.932 19302 1303 1 2 . 1 1 94 94 THR CA C 94 58.678 58.678 61.981 -3.304 19302 1304 1 2 . 1 1 94 94 THR CB C 94 72.561 72.561 69.352 3.209 19302 1305 1 2 . 1 1 94 94 THR H H 94 8.288 8.288 8.250 0.038 19302 1306 1 2 . 1 1 95 95 ARG N N 95 119.684 119.684 121.005 -1.321 19302 1307 1 2 . 1 1 95 95 ARG HA H 95 3.960 3.960 4.661 -0.701 19302 1308 1 2 . 1 1 95 95 ARG C C 95 178.617 178.617 177.822 0.795 19302 1309 1 2 . 1 1 95 95 ARG CA C 95 59.240 59.240 56.408 2.832 19302 1310 1 2 . 1 1 95 95 ARG CB C 95 29.480 29.480 31.043 -1.563 19302 1311 1 2 . 1 1 95 95 ARG H H 95 8.719 8.719 8.589 0.130 19302 1312 1 2 . 1 1 96 96 MET N N 96 115.656 115.656 119.702 -4.046 19302 1313 1 2 . 1 1 96 96 MET HA H 96 4.332 4.332 4.628 -0.296 19302 1314 1 2 . 1 1 96 96 MET C C 96 177.312 177.312 177.889 -0.577 19302 1315 1 2 . 1 1 96 96 MET CA C 96 56.615 56.615 56.395 0.220 19302 1316 1 2 . 1 1 96 96 MET CB C 96 32.723 32.723 31.733 0.990 19302 1317 1 2 . 1 1 96 96 MET H H 96 7.895 7.895 8.584 -0.689 19302 1318 1 2 . 1 1 97 97 SER N N 97 114.024 114.024 117.130 -3.106 19302 1319 1 2 . 1 1 97 97 SER HA H 97 4.648 4.648 4.117 0.531 19302 1320 1 2 . 1 1 97 97 SER C C 97 176.743 176.743 176.181 0.562 19302 1321 1 2 . 1 1 97 97 SER CA C 97 58.484 58.484 61.850 -3.366 19302 1322 1 2 . 1 1 97 97 SER CB C 97 65.103 65.103 62.977 2.126 19302 1323 1 2 . 1 1 97 97 SER H H 97 8.108 8.108 8.311 -0.203 19302 1324 1 2 . 1 1 98 98 GLU N N 98 124.701 124.701 119.575 5.126 19302 1325 1 2 . 1 1 98 98 GLU HA H 98 3.689 3.689 4.032 -0.343 19302 1326 1 2 . 1 1 98 98 GLU C C 98 178.994 178.994 178.256 0.738 19302 1327 1 2 . 1 1 98 98 GLU CA C 98 60.482 60.482 59.052 1.430 19302 1328 1 2 . 1 1 98 98 GLU CB C 98 29.096 29.096 28.593 0.503 19302 1329 1 2 . 1 1 98 98 GLU H H 98 8.229 8.229 8.960 -0.731 19302 1330 1 2 . 1 1 99 99 GLN N N 99 117.637 117.637 116.512 1.125 19302 1331 1 2 . 1 1 99 99 GLN HA H 99 4.008 4.008 4.014 -0.006 19302 1332 1 2 . 1 1 99 99 GLN C C 99 176.402 176.402 177.448 -1.046 19302 1333 1 2 . 1 1 99 99 GLN CA C 99 58.127 58.127 58.424 -0.297 19302 1334 1 2 . 1 1 99 99 GLN CB C 99 28.135 28.135 29.486 -1.351 19302 1335 1 2 . 1 1 99 99 GLN H H 99 8.464 8.464 7.508 0.956 19302 1336 1 2 . 1 1 100 100 TYR N N 100 118.538 118.538 114.427 4.111 19302 1337 1 2 . 1 1 100 100 TYR HA H 100 4.512 4.512 4.731 -0.219 19302 1338 1 2 . 1 1 100 100 TYR C C 100 176.132 176.132 176.541 -0.409 19302 1339 1 2 . 1 1 100 100 TYR CA C 100 58.029 58.029 57.112 0.917 19302 1340 1 2 . 1 1 100 100 TYR CB C 100 39.600 39.600 38.896 0.704 19302 1341 1 2 . 1 1 100 100 TYR H H 100 7.688 7.688 8.410 -0.722 19302 1342 1 2 . 1 1 101 101 PHE N N 101 121.713 121.713 122.966 -1.253 19302 1343 1 2 . 1 1 101 101 PHE HA H 101 4.098 4.098 4.432 -0.334 19302 1344 1 2 . 1 1 101 101 PHE C C 101 173.115 173.115 173.968 -0.853 19302 1345 1 2 . 1 1 101 101 PHE CA C 101 63.389 63.389 62.599 0.790 19302 1346 1 2 . 1 1 101 101 PHE CB C 101 37.438 37.438 37.162 0.276 19302 1347 1 2 . 1 1 101 101 PHE H H 101 7.916 7.916 9.165 -1.249 19302 1348 1 2 . 1 1 102 102 PRO HA H 102 4.078 4.078 3.954 0.124 19302 1349 1 2 . 1 1 102 102 PRO C C 102 179.371 179.371 178.070 1.301 19302 1350 1 2 . 1 1 102 102 PRO CA C 102 67.173 67.173 65.617 1.556 19302 1351 1 2 . 1 1 102 102 PRO CB C 102 30.497 30.497 30.756 -0.259 19302 1352 1 2 . 1 1 103 103 ALA N N 103 119.259 119.259 119.523 -0.264 19302 1353 1 2 . 1 1 103 103 ALA HA H 103 4.043 4.043 4.040 0.003 19302 1354 1 2 . 1 1 103 103 ALA C C 103 180.693 180.693 179.783 0.910 19302 1355 1 2 . 1 1 103 103 ALA CA C 103 54.322 54.322 54.647 -0.325 19302 1356 1 2 . 1 1 103 103 ALA CB C 103 18.420 18.420 18.167 0.253 19302 1357 1 2 . 1 1 103 103 ALA H H 103 8.030 8.030 8.342 -0.312 19302 1358 1 2 . 1 1 104 104 LEU N N 104 121.207 121.207 119.015 2.192 19302 1359 1 2 . 1 1 104 104 LEU HA H 104 4.164 4.164 4.084 0.080 19302 1360 1 2 . 1 1 104 104 LEU C C 104 179.295 179.295 178.016 1.279 19302 1361 1 2 . 1 1 104 104 LEU CA C 104 58.235 58.235 57.552 0.683 19302 1362 1 2 . 1 1 104 104 LEU CB C 104 41.154 41.154 42.191 -1.036 19302 1363 1 2 . 1 1 104 104 LEU H H 104 7.161 7.161 7.452 -0.291 19302 1364 1 2 . 1 1 105 105 GLN N N 105 123.941 123.941 119.950 3.991 19302 1365 1 2 . 1 1 105 105 GLN HA H 105 3.451 3.451 3.874 -0.423 19302 1366 1 2 . 1 1 105 105 GLN C C 105 176.984 176.984 178.524 -1.540 19302 1367 1 2 . 1 1 105 105 GLN CA C 105 59.986 59.986 58.866 1.120 19302 1368 1 2 . 1 1 105 105 GLN CB C 105 27.878 27.878 28.383 -0.505 19302 1369 1 2 . 1 1 105 105 GLN H H 105 8.836 8.836 7.599 1.237 19302 1370 1 2 . 1 1 106 106 LYS N N 106 119.943 119.943 119.452 0.491 19302 1371 1 2 . 1 1 106 106 LYS HA H 106 3.752 3.752 4.118 -0.366 19302 1372 1 2 . 1 1 106 106 LYS C C 106 177.834 177.834 179.060 -1.226 19302 1373 1 2 . 1 1 106 106 LYS CA C 106 60.337 60.337 59.521 0.816 19302 1374 1 2 . 1 1 106 106 LYS CB C 106 32.380 32.380 32.374 0.006 19302 1375 1 2 . 1 1 106 106 LYS H H 106 7.692 7.692 8.382 -0.690 19302 1376 1 2 . 1 1 107 107 PHE N N 107 117.769 117.769 118.717 -0.948 19302 1377 1 2 . 1 1 107 107 PHE HA H 107 4.378 4.378 4.448 -0.070 19302 1378 1 2 . 1 1 107 107 PHE C C 107 176.089 176.089 177.521 -1.432 19302 1379 1 2 . 1 1 107 107 PHE CA C 107 60.327 60.327 60.082 0.245 19302 1380 1 2 . 1 1 107 107 PHE CB C 107 40.477 40.477 39.468 1.009 19302 1381 1 2 . 1 1 107 107 PHE H H 107 7.514 7.514 7.676 -0.162 19302 1382 1 2 . 1 1 108 108 THR N N 108 112.966 112.966 113.887 -0.921 19302 1383 1 2 . 1 1 108 108 THR HA H 108 3.196 3.196 4.019 -0.823 19302 1384 1 2 . 1 1 108 108 THR C C 108 174.656 174.656 176.664 -2.008 19302 1385 1 2 . 1 1 108 108 THR CA C 108 67.885 67.885 66.175 1.710 19302 1386 1 2 . 1 1 108 108 THR CB C 108 69.292 69.292 69.005 0.287 19302 1387 1 2 . 1 1 108 108 THR H H 108 8.541 8.541 8.922 -0.381 19302 1388 1 2 . 1 1 109 109 VAL N N 109 118.515 118.515 122.798 -4.283 19302 1389 1 2 . 1 1 109 109 VAL HA H 109 3.953 3.953 3.799 0.154 19302 1390 1 2 . 1 1 109 109 VAL C C 109 178.009 178.009 178.423 -0.414 19302 1391 1 2 . 1 1 109 109 VAL CA C 109 65.110 65.110 66.517 -1.407 19302 1392 1 2 . 1 1 109 109 VAL CB C 109 32.327 32.327 31.293 1.034 19302 1393 1 2 . 1 1 109 109 VAL H H 109 8.065 8.065 7.974 0.091 19302 1394 1 2 . 1 1 110 110 LEU N N 110 118.627 118.627 120.011 -1.384 19302 1395 1 2 . 1 1 110 110 LEU HA H 110 4.157 4.157 3.978 0.179 19302 1396 1 2 . 1 1 110 110 LEU C C 110 178.351 178.351 178.170 0.181 19302 1397 1 2 . 1 1 110 110 LEU CA C 110 57.133 57.133 57.890 -0.757 19302 1398 1 2 . 1 1 110 110 LEU CB C 110 40.985 40.985 41.744 -0.759 19302 1399 1 2 . 1 1 110 110 LEU H H 110 7.224 7.224 7.646 -0.422 19302 1400 1 2 . 1 1 111 111 ASP N N 111 119.092 119.092 118.414 0.678 19302 1401 1 2 . 1 1 111 111 ASP HA H 111 4.325 4.325 4.479 -0.154 19302 1402 1 2 . 1 1 111 111 ASP C C 111 178.644 178.644 177.546 1.098 19302 1403 1 2 . 1 1 111 111 ASP CA C 111 57.243 57.243 56.217 1.026 19302 1404 1 2 . 1 1 111 111 ASP CB C 111 39.330 39.330 41.621 -2.291 19302 1405 1 2 . 1 1 111 111 ASP H H 111 7.719 7.719 7.590 0.129 19302 1406 1 2 . 1 1 112 112 LEU N N 112 114.990 114.990 116.676 -1.686 19302 1407 1 2 . 1 1 112 112 LEU HA H 112 4.044 4.044 4.525 -0.481 19302 1408 1 2 . 1 1 112 112 LEU C C 112 177.936 177.936 176.792 1.144 19302 1409 1 2 . 1 1 112 112 LEU CA C 112 55.507 55.507 55.341 0.166 19302 1410 1 2 . 1 1 112 112 LEU CB C 112 42.142 42.142 44.202 -2.060 19302 1411 1 2 . 1 1 112 112 LEU H H 112 7.306 7.306 8.166 -0.860 19302 1412 1 2 . 1 1 113 113 GLY N N 113 108.097 108.097 107.930 0.167 19302 1413 1 2 . 1 1 113 113 GLY C C 113 175.161 175.161 174.782 0.379 19302 1414 1 2 . 1 1 113 113 GLY CA C 113 47.080 47.080 46.040 1.040 19302 1415 1 2 . 1 1 113 113 GLY H H 113 6.651 6.651 7.961 -1.310 19302 1416 1 2 . 1 1 114 114 MET N N 114 119.916 119.916 118.447 1.469 19302 1417 1 2 . 1 1 114 114 MET HA H 114 4.441 4.441 4.337 0.104 19302 1418 1 2 . 1 1 114 114 MET C C 114 174.467 174.467 175.719 -1.252 19302 1419 1 2 . 1 1 114 114 MET CA C 114 55.303 55.303 55.798 -0.495 19302 1420 1 2 . 1 1 114 114 MET CB C 114 35.820 35.820 34.236 1.583 19302 1421 1 2 . 1 1 114 114 MET H H 114 8.107 8.107 7.594 0.513 19302 1422 1 2 . 1 1 115 115 VAL N N 115 120.592 120.592 119.998 0.594 19302 1423 1 2 . 1 1 115 115 VAL HA H 115 3.723 3.723 4.279 -0.556 19302 1424 1 2 . 1 1 115 115 VAL C C 115 173.084 173.084 174.470 -1.386 19302 1425 1 2 . 1 1 115 115 VAL CA C 115 62.921 62.921 61.337 1.584 19302 1426 1 2 . 1 1 115 115 VAL CB C 115 33.192 33.192 32.286 0.906 19302 1427 1 2 . 1 1 115 115 VAL H H 115 7.414 7.414 8.443 -1.029 19302 1428 1 2 . 1 1 116 116 LEU N N 116 128.303 128.303 129.030 -0.727 19302 1429 1 2 . 1 1 116 116 LEU HA H 116 5.176 5.176 5.326 -0.150 19302 1430 1 2 . 1 1 116 116 LEU C C 116 175.304 175.304 176.678 -1.374 19302 1431 1 2 . 1 1 116 116 LEU CA C 116 53.335 53.335 53.982 -0.647 19302 1432 1 2 . 1 1 116 116 LEU CB C 116 45.512 45.512 44.388 1.124 19302 1433 1 2 . 1 1 116 116 LEU H H 116 7.872 7.872 8.546 -0.674 19302 1434 1 2 . 1 1 117 117 LEU N N 117 129.470 129.470 124.640 4.830 19302 1435 1 2 . 1 1 117 117 LEU HA H 117 4.922 4.922 4.813 0.109 19302 1436 1 2 . 1 1 117 117 LEU C C 117 173.512 173.512 174.508 -0.996 19302 1437 1 2 . 1 1 117 117 LEU CA C 117 51.061 51.061 52.769 -1.708 19302 1438 1 2 . 1 1 117 117 LEU CB C 117 43.824 43.824 44.990 -1.166 19302 1439 1 2 . 1 1 117 117 LEU H H 117 9.331 9.331 8.704 0.627 19302 1440 1 2 . 1 1 118 118 PRO HA H 118 5.167 5.167 4.609 0.558 19302 1441 1 2 . 1 1 118 118 PRO C C 118 176.784 176.784 176.473 0.311 19302 1442 1 2 . 1 1 118 118 PRO CA C 118 61.019 61.019 62.937 -1.918 19302 1443 1 2 . 1 1 118 118 PRO CB C 118 32.806 32.806 32.172 0.634 19302 1444 1 2 . 1 1 119 119 VAL N N 119 114.345 114.345 120.195 -5.850 19302 1445 1 2 . 1 1 119 119 VAL HA H 119 4.507 4.507 4.294 0.213 19302 1446 1 2 . 1 1 119 119 VAL C C 119 174.881 174.881 175.100 -0.219 19302 1447 1 2 . 1 1 119 119 VAL CA C 119 59.150 59.150 61.191 -2.041 19302 1448 1 2 . 1 1 119 119 VAL CB C 119 36.847 36.847 32.681 4.166 19302 1449 1 2 . 1 1 119 119 VAL H H 119 8.775 8.775 8.603 0.172 19302 1450 1 2 . 1 1 120 120 ALA N N 120 121.458 121.458 118.987 2.471 19302 1451 1 2 . 1 1 120 120 ALA HA H 120 4.335 4.335 4.480 -0.145 19302 1452 1 2 . 1 1 120 120 ALA C C 120 177.637 177.637 175.662 1.975 19302 1453 1 2 . 1 1 120 120 ALA CA C 120 52.662 52.662 52.416 0.246 19302 1454 1 2 . 1 1 120 120 ALA CB C 120 19.817 19.817 19.730 0.087 19302 1455 1 2 . 1 1 120 120 ALA H H 120 8.740 8.740 8.237 0.503 19302 1456 1 2 . 1 1 121 121 SER N N 121 106.201 106.201 111.325 -5.124 19302 1457 1 2 . 1 1 121 121 SER HA H 121 4.523 4.523 4.672 -0.149 19302 1458 1 2 . 1 1 121 121 SER C C 121 173.940 173.940 175.356 -1.416 19302 1459 1 2 . 1 1 121 121 SER CA C 121 56.668 56.668 57.273 -0.605 19302 1460 1 2 . 1 1 121 121 SER CB C 121 66.057 66.057 65.103 0.953 19302 1461 1 2 . 1 1 121 121 SER H H 121 7.147 7.147 7.693 -0.546 19302 1462 1 2 . 1 1 122 122 GLN N N 122 120.942 120.942 120.326 0.616 19302 1463 1 2 . 1 1 122 122 GLN HA H 122 4.063 4.063 4.262 -0.199 19302 1464 1 2 . 1 1 122 122 GLN C C 122 178.350 178.350 177.541 0.809 19302 1465 1 2 . 1 1 122 122 GLN CA C 122 59.436 59.436 58.716 0.720 19302 1466 1 2 . 1 1 122 122 GLN CB C 122 29.018 29.018 28.779 0.239 19302 1467 1 2 . 1 1 122 122 GLN H H 122 9.055 9.055 8.772 0.283 19302 1468 1 2 . 1 1 123 123 MET N N 123 118.978 118.978 119.533 -0.555 19302 1469 1 2 . 1 1 123 123 MET HA H 123 3.947 3.947 4.338 -0.391 19302 1470 1 2 . 1 1 123 123 MET C C 123 179.161 179.161 178.386 0.775 19302 1471 1 2 . 1 1 123 123 MET CA C 123 58.802 58.802 58.607 0.195 19302 1472 1 2 . 1 1 123 123 MET CB C 123 31.305 31.305 32.906 -1.601 19302 1473 1 2 . 1 1 123 123 MET H H 123 7.950 7.950 7.653 0.297 19302 1474 1 2 . 1 1 124 124 GLU N N 124 121.747 121.747 119.283 2.464 19302 1475 1 2 . 1 1 124 124 GLU HA H 124 3.897 3.897 3.931 -0.034 19302 1476 1 2 . 1 1 124 124 GLU C C 124 179.272 179.272 178.818 0.454 19302 1477 1 2 . 1 1 124 124 GLU CA C 124 59.686 59.686 59.940 -0.253 19302 1478 1 2 . 1 1 124 124 GLU CB C 124 29.943 29.943 29.176 0.767 19302 1479 1 2 . 1 1 124 124 GLU H H 124 7.729 7.729 8.116 -0.387 19302 1480 1 2 . 1 1 125 125 ALA N N 125 121.208 121.208 121.968 -0.760 19302 1481 1 2 . 1 1 125 125 ALA HA H 125 3.827 3.827 4.032 -0.205 19302 1482 1 2 . 1 1 125 125 ALA C C 125 178.068 178.068 179.303 -1.235 19302 1483 1 2 . 1 1 125 125 ALA CA C 125 54.330 54.330 55.701 -1.371 19302 1484 1 2 . 1 1 125 125 ALA CB C 125 19.232 19.232 18.390 0.843 19302 1485 1 2 . 1 1 125 125 ALA H H 125 8.083 8.083 8.022 0.061 19302 1486 1 2 . 1 1 126 126 SER N N 126 114.095 114.095 115.251 -1.156 19302 1487 1 2 . 1 1 126 126 SER HA H 126 3.527 3.527 4.135 -0.608 19302 1488 1 2 . 1 1 126 126 SER C C 126 175.129 175.129 176.774 -1.645 19302 1489 1 2 . 1 1 126 126 SER CA C 126 62.161 62.161 61.248 0.913 19302 1490 1 2 . 1 1 126 126 SER CB C 126 69.705 69.705 62.232 7.473 19302 1491 1 2 . 1 1 126 126 SER H H 126 7.975 7.975 7.859 0.116 19302 1492 1 2 . 1 1 127 127 CYS N N 127 119.210 119.210 120.206 -0.996 19302 1493 1 2 . 1 1 127 127 CYS HA H 127 3.819 3.819 4.305 -0.486 19302 1494 1 2 . 1 1 127 127 CYS C C 127 177.016 177.016 176.490 0.526 19302 1495 1 2 . 1 1 127 127 CYS CA C 127 62.351 62.351 61.629 0.722 19302 1496 1 2 . 1 1 127 127 CYS CB C 127 26.714 26.714 27.611 -0.897 19302 1497 1 2 . 1 1 127 127 CYS H H 127 6.869 6.869 8.702 -1.833 19302 1498 1 2 . 1 1 128 128 LEU N N 128 122.342 122.342 123.503 -1.161 19302 1499 1 2 . 1 1 128 128 LEU HA H 128 3.947 3.947 4.196 -0.249 19302 1500 1 2 . 1 1 128 128 LEU C C 128 178.010 178.010 178.214 -0.204 19302 1501 1 2 . 1 1 128 128 LEU CA C 128 57.860 57.860 58.078 -0.218 19302 1502 1 2 . 1 1 128 128 LEU CB C 128 41.951 41.951 41.797 0.154 19302 1503 1 2 . 1 1 128 128 LEU H H 128 7.527 7.527 8.540 -1.013 19302 1504 1 2 . 1 1 129 129 VAL N N 129 119.021 119.021 119.578 -0.557 19302 1505 1 2 . 1 1 129 129 VAL HA H 129 3.035 3.035 3.595 -0.560 19302 1506 1 2 . 1 1 129 129 VAL C C 129 177.035 177.035 178.359 -1.324 19302 1507 1 2 . 1 1 129 129 VAL CA C 129 67.656 67.656 67.218 0.438 19302 1508 1 2 . 1 1 129 129 VAL CB C 129 30.898 30.898 31.132 -0.234 19302 1509 1 2 . 1 1 129 129 VAL H H 129 8.360 8.360 8.745 -0.385 19302 1510 1 2 . 1 1 130 130 ILE N N 130 117.913 117.913 118.644 -0.731 19302 1511 1 2 . 1 1 130 130 ILE HA H 130 3.292 3.292 3.574 -0.282 19302 1512 1 2 . 1 1 130 130 ILE C C 130 177.834 177.834 178.016 -0.182 19302 1513 1 2 . 1 1 130 130 ILE CA C 130 64.592 64.592 64.712 -0.120 19302 1514 1 2 . 1 1 130 130 ILE CB C 130 36.970 36.970 36.938 0.032 19302 1515 1 2 . 1 1 130 130 ILE H H 130 7.331 7.331 7.393 -0.062 19302 1516 1 2 . 1 1 131 131 GLN N N 131 120.359 120.359 120.057 0.302 19302 1517 1 2 . 1 1 131 131 GLN HA H 131 3.846 3.846 4.010 -0.164 19302 1518 1 2 . 1 1 131 131 GLN C C 131 178.708 178.708 178.850 -0.142 19302 1519 1 2 . 1 1 131 131 GLN CA C 131 59.310 59.310 59.217 0.093 19302 1520 1 2 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.407 -0.305 19302 1521 1 2 . 1 1 131 131 GLN H H 131 7.505 7.505 7.803 -0.298 19302 1522 1 2 . 1 1 132 132 LEU N N 132 120.310 120.310 119.386 0.924 19302 1523 1 2 . 1 1 132 132 LEU HA H 132 3.848 3.848 4.459 -0.611 19302 1524 1 2 . 1 1 132 132 LEU C C 132 179.854 179.854 178.835 1.019 19302 1525 1 2 . 1 1 132 132 LEU CA C 132 57.975 57.975 58.202 -0.227 19302 1526 1 2 . 1 1 132 132 LEU CB C 132 41.902 41.902 42.024 -0.122 19302 1527 1 2 . 1 1 132 132 LEU H H 132 8.270 8.270 7.962 0.308 19302 1528 1 2 . 1 1 133 133 VAL N N 133 120.909 120.909 118.096 2.813 19302 1529 1 2 . 1 1 133 133 VAL HA H 133 4.004 4.004 3.703 0.301 19302 1530 1 2 . 1 1 133 133 VAL C C 133 178.791 178.791 178.138 0.653 19302 1531 1 2 . 1 1 133 133 VAL CA C 133 58.026 58.026 64.999 -6.973 19302 1532 1 2 . 1 1 133 133 VAL CB C 133 32.475 32.475 30.931 1.544 19302 1533 1 2 . 1 1 133 133 VAL H H 133 8.162 8.162 7.212 0.950 19302 1534 1 2 . 1 1 134 134 GLN N N 134 120.073 120.073 119.997 0.076 19302 1535 1 2 . 1 1 134 134 GLN HA H 134 3.943 3.943 3.984 -0.041 19302 1536 1 2 . 1 1 134 134 GLN C C 134 178.374 178.374 178.558 -0.184 19302 1537 1 2 . 1 1 134 134 GLN CA C 134 57.164 57.164 59.196 -2.032 19302 1538 1 2 . 1 1 134 134 GLN CB C 134 29.632 29.632 29.050 0.582 19302 1539 1 2 . 1 1 134 134 GLN H H 134 7.837 7.837 8.775 -0.938 19302 1540 1 2 . 1 1 135 135 GLU N N 135 118.639 118.639 118.189 0.450 19302 1541 1 2 . 1 1 135 135 GLU HA H 135 3.902 3.902 4.075 -0.173 19302 1542 1 2 . 1 1 135 135 GLU C C 135 177.986 177.986 178.910 -0.924 19302 1543 1 2 . 1 1 135 135 GLU CA C 135 58.266 58.266 58.862 -0.596 19302 1544 1 2 . 1 1 135 135 GLU CB C 135 29.593 29.593 29.088 0.505 19302 1545 1 2 . 1 1 135 135 GLU H H 135 7.989 7.989 8.090 -0.101 19302 1546 1 2 . 1 1 136 136 GLN N N 136 118.352 118.352 119.683 -1.331 19302 1547 1 2 . 1 1 136 136 GLN HA H 136 3.994 3.994 4.081 -0.087 19302 1548 1 2 . 1 1 136 136 GLN C C 136 176.807 176.807 177.560 -0.753 19302 1549 1 2 . 1 1 136 136 GLN CA C 136 56.762 56.762 58.275 -1.513 19302 1550 1 2 . 1 1 136 136 GLN CB C 136 28.835 28.835 28.680 0.155 19302 1551 1 2 . 1 1 136 136 GLN H H 136 7.845 7.845 7.770 0.075 19302 1552 1 2 . 1 1 137 137 THR N N 137 113.953 113.953 108.411 5.542 19302 1553 1 2 . 1 1 137 137 THR HA H 137 4.163 4.163 4.439 -0.276 19302 1554 1 2 . 1 1 137 137 THR C C 137 174.267 174.267 174.377 -0.110 19302 1555 1 2 . 1 1 137 137 THR CA C 137 64.611 64.611 60.205 4.406 19302 1556 1 2 . 1 1 137 137 THR CB C 137 69.280 69.280 67.836 1.444 19302 1557 1 2 . 1 1 137 137 THR H H 137 7.847 7.847 7.526 0.321 19302 1558 1 2 . 1 1 138 138 LYS N N 138 122.289 122.289 120.672 1.617 19302 1559 1 2 . 1 1 138 138 LYS C C 138 176.119 176.119 176.360 -0.241 19302 1560 1 2 . 1 1 138 138 LYS CA C 138 56.329 56.329 56.926 -0.597 19302 1561 1 2 . 1 1 138 138 LYS CB C 138 32.891 32.891 32.934 -0.043 19302 1562 1 2 . 1 1 138 138 LYS H H 138 7.607 7.607 7.707 -0.100 19302 1563 1 3 . 1 1 2 2 GLU N N 2 123.078 123.078 121.455 1.623 19302 1564 1 3 . 1 1 2 2 GLU HA H 2 4.160 4.160 4.570 -0.410 19302 1565 1 3 . 1 1 2 2 GLU C C 2 175.765 175.765 174.699 1.066 19302 1566 1 3 . 1 1 2 2 GLU CA C 2 56.353 56.353 55.593 0.760 19302 1567 1 3 . 1 1 2 2 GLU CB C 2 30.041 30.041 30.364 -0.323 19302 1568 1 3 . 1 1 2 2 GLU H H 2 8.313 8.313 8.634 -0.321 19302 1569 1 3 . 1 1 3 3 LYS N N 3 124.091 124.091 119.335 4.756 19302 1570 1 3 . 1 1 3 3 LYS HA H 3 4.013 4.013 4.392 -0.379 19302 1571 1 3 . 1 1 3 3 LYS C C 3 174.713 174.713 175.053 -0.340 19302 1572 1 3 . 1 1 3 3 LYS CA C 3 56.240 56.240 56.379 -0.139 19302 1573 1 3 . 1 1 3 3 LYS CB C 3 33.400 33.400 32.282 1.117 19302 1574 1 3 . 1 1 3 3 LYS H H 3 8.243 8.243 8.431 -0.188 19302 1575 1 3 . 1 1 4 4 ASN N N 4 121.184 121.184 118.324 2.860 19302 1576 1 3 . 1 1 4 4 ASN C C 4 172.940 172.940 172.727 0.213 19302 1577 1 3 . 1 1 4 4 ASN CA C 4 50.404 50.404 51.110 -0.706 19302 1578 1 3 . 1 1 4 4 ASN CB C 4 41.212 41.212 37.968 3.244 19302 1579 1 3 . 1 1 4 4 ASN H H 4 8.086 8.086 7.824 0.262 19302 1580 1 3 . 1 1 6 6 PRO HA H 6 4.222 4.222 4.464 -0.242 19302 1581 1 3 . 1 1 6 6 PRO C C 6 176.390 176.390 176.562 -0.172 19302 1582 1 3 . 1 1 6 6 PRO CA C 6 63.267 63.267 62.717 0.550 19302 1583 1 3 . 1 1 6 6 PRO CB C 6 32.008 32.008 32.201 -0.193 19302 1584 1 3 . 1 1 7 7 ASP N N 7 120.412 120.412 119.354 1.058 19302 1585 1 3 . 1 1 7 7 ASP HA H 7 4.402 4.402 4.534 -0.132 19302 1586 1 3 . 1 1 7 7 ASP C C 7 175.911 175.911 176.179 -0.268 19302 1587 1 3 . 1 1 7 7 ASP CA C 7 54.248 54.248 53.427 0.821 19302 1588 1 3 . 1 1 7 7 ASP CB C 7 41.210 41.210 41.075 0.135 19302 1589 1 3 . 1 1 7 7 ASP H H 7 8.175 8.175 8.470 -0.295 19302 1590 1 3 . 1 1 8 8 ASP N N 8 121.448 121.448 120.432 1.016 19302 1591 1 3 . 1 1 8 8 ASP HA H 8 4.554 4.554 4.220 0.334 19302 1592 1 3 . 1 1 8 8 ASP C C 8 176.334 176.334 175.873 0.461 19302 1593 1 3 . 1 1 8 8 ASP CA C 8 54.240 54.240 56.424 -2.184 19302 1594 1 3 . 1 1 8 8 ASP CB C 8 41.354 41.354 40.045 1.309 19302 1595 1 3 . 1 1 8 8 ASP H H 8 8.080 8.080 8.327 -0.247 19302 1596 1 3 . 1 1 9 9 THR N N 9 114.376 114.376 117.510 -3.134 19302 1597 1 3 . 1 1 9 9 THR HA H 9 4.170 4.170 4.016 0.154 19302 1598 1 3 . 1 1 9 9 THR C C 9 174.565 174.565 173.795 0.770 19302 1599 1 3 . 1 1 9 9 THR CA C 9 62.018 62.018 63.626 -1.608 19302 1600 1 3 . 1 1 9 9 THR CB C 9 69.655 69.655 67.625 2.030 19302 1601 1 3 . 1 1 9 9 THR H H 9 7.982 7.982 8.174 -0.192 19302 1602 1 3 . 1 1 10 10 GLY N N 10 111.726 111.726 108.638 3.088 19302 1603 1 3 . 1 1 10 10 GLY C C 10 171.287 171.287 171.982 -0.695 19302 1604 1 3 . 1 1 10 10 GLY CA C 10 44.627 44.627 44.795 -0.168 19302 1605 1 3 . 1 1 10 10 GLY H H 10 8.051 8.051 7.829 0.222 19302 1606 1 3 . 1 1 11 11 PRO HA H 11 4.298 4.298 4.240 0.058 19302 1607 1 3 . 1 1 11 11 PRO C C 11 176.417 176.417 176.852 -0.435 19302 1608 1 3 . 1 1 11 11 PRO CA C 11 63.173 63.173 62.565 0.609 19302 1609 1 3 . 1 1 11 11 PRO CB C 11 32.419 32.419 32.494 -0.075 19302 1610 1 3 . 1 1 12 12 VAL N N 12 120.990 120.990 121.088 -0.098 19302 1611 1 3 . 1 1 12 12 VAL HA H 12 3.757 3.757 4.082 -0.325 19302 1612 1 3 . 1 1 12 12 VAL C C 12 174.604 174.604 175.413 -0.809 19302 1613 1 3 . 1 1 12 12 VAL CA C 12 61.747 61.747 62.111 -0.364 19302 1614 1 3 . 1 1 12 12 VAL CB C 12 33.506 33.506 31.952 1.554 19302 1615 1 3 . 1 1 12 12 VAL H H 12 7.667 7.667 7.973 -0.306 19302 1616 1 3 . 1 1 13 13 HIS N N 13 123.020 123.020 119.100 3.920 19302 1617 1 3 . 1 1 13 13 HIS HA H 13 4.387 4.387 4.552 -0.165 19302 1618 1 3 . 1 1 13 13 HIS C C 13 173.601 173.601 174.546 -0.945 19302 1619 1 3 . 1 1 13 13 HIS CA C 13 55.731 55.731 55.754 -0.023 19302 1620 1 3 . 1 1 13 13 HIS CB C 13 30.039 30.039 30.597 -0.558 19302 1621 1 3 . 1 1 13 13 HIS H H 13 8.088 8.088 7.331 0.757 19302 1622 1 3 . 1 1 14 14 VAL N N 14 126.633 126.633 117.428 9.205 19302 1623 1 3 . 1 1 14 14 VAL HA H 14 3.941 3.941 4.625 -0.684 19302 1624 1 3 . 1 1 14 14 VAL C C 14 173.591 173.591 174.300 -0.709 19302 1625 1 3 . 1 1 14 14 VAL CA C 14 59.095 59.095 59.887 -0.792 19302 1626 1 3 . 1 1 14 14 VAL CB C 14 32.976 32.976 32.868 0.108 19302 1627 1 3 . 1 1 14 14 VAL H H 14 8.128 8.128 8.372 -0.244 19302 1628 1 3 . 1 1 15 15 PRO HA H 15 4.042 4.042 4.545 -0.503 19302 1629 1 3 . 1 1 15 15 PRO C C 15 175.581 175.581 175.546 0.035 19302 1630 1 3 . 1 1 15 15 PRO CA C 15 62.314 62.314 62.960 -0.646 19302 1631 1 3 . 1 1 15 15 PRO CB C 15 31.352 31.352 32.912 -1.560 19302 1632 1 3 . 1 1 16 16 LEU N N 16 122.170 122.170 119.651 2.519 19302 1633 1 3 . 1 1 16 16 LEU HA H 16 4.073 4.073 4.596 -0.523 19302 1634 1 3 . 1 1 16 16 LEU C C 16 180.683 180.683 176.517 4.166 19302 1635 1 3 . 1 1 16 16 LEU CA C 16 56.442 56.442 55.131 1.311 19302 1636 1 3 . 1 1 16 16 LEU CB C 16 41.855 41.855 43.719 -1.864 19302 1637 1 3 . 1 1 16 16 LEU H H 16 8.070 8.070 8.607 -0.537 19302 1638 1 3 . 1 1 17 17 GLY N N 17 114.931 114.931 106.916 8.015 19302 1639 1 3 . 1 1 17 17 GLY C C 17 173.075 173.075 172.388 0.687 19302 1640 1 3 . 1 1 17 17 GLY CA C 17 45.757 45.757 45.109 0.648 19302 1641 1 3 . 1 1 17 17 GLY H H 17 9.325 9.325 7.886 1.439 19302 1642 1 3 . 1 1 18 18 HIS N N 18 117.638 117.638 119.094 -1.456 19302 1643 1 3 . 1 1 18 18 HIS HA H 18 5.386 5.386 5.410 -0.024 19302 1644 1 3 . 1 1 18 18 HIS C C 18 173.186 173.186 173.056 0.130 19302 1645 1 3 . 1 1 18 18 HIS CA C 18 54.007 54.007 53.859 0.148 19302 1646 1 3 . 1 1 18 18 HIS CB C 18 31.691 31.691 32.199 -0.508 19302 1647 1 3 . 1 1 18 18 HIS H H 18 7.803 7.803 7.791 0.012 19302 1648 1 3 . 1 1 19 19 ILE N N 19 114.669 114.669 120.420 -5.751 19302 1649 1 3 . 1 1 19 19 ILE HA H 19 4.372 4.372 4.441 -0.069 19302 1650 1 3 . 1 1 19 19 ILE C C 19 174.449 174.449 174.598 -0.149 19302 1651 1 3 . 1 1 19 19 ILE CA C 19 60.368 60.368 59.103 1.265 19302 1652 1 3 . 1 1 19 19 ILE CB C 19 42.044 42.044 41.057 0.987 19302 1653 1 3 . 1 1 19 19 ILE H H 19 8.059 8.059 8.387 -0.328 19302 1654 1 3 . 1 1 20 20 VAL N N 20 124.211 124.211 123.795 0.416 19302 1655 1 3 . 1 1 20 20 VAL HA H 20 4.730 4.730 4.703 0.027 19302 1656 1 3 . 1 1 20 20 VAL C C 20 174.104 174.104 174.575 -0.471 19302 1657 1 3 . 1 1 20 20 VAL CA C 20 61.322 61.322 60.464 0.858 19302 1658 1 3 . 1 1 20 20 VAL CB C 20 33.255 33.255 34.184 -0.929 19302 1659 1 3 . 1 1 20 20 VAL H H 20 7.525 7.525 8.054 -0.529 19302 1660 1 3 . 1 1 21 21 ALA N N 21 131.125 131.125 128.907 2.218 19302 1661 1 3 . 1 1 21 21 ALA HA H 21 5.095 5.095 5.044 0.051 19302 1662 1 3 . 1 1 21 21 ALA C C 21 175.389 175.389 175.665 -0.276 19302 1663 1 3 . 1 1 21 21 ALA CA C 21 49.175 49.175 48.955 0.220 19302 1664 1 3 . 1 1 21 21 ALA CB C 21 24.297 24.297 21.870 2.426 19302 1665 1 3 . 1 1 21 21 ALA H H 21 9.395 9.395 9.101 0.294 19302 1666 1 3 . 1 1 22 22 ASN N N 22 120.999 120.999 121.411 -0.412 19302 1667 1 3 . 1 1 22 22 ASN HA H 22 4.805 4.805 4.773 0.032 19302 1668 1 3 . 1 1 22 22 ASN C C 22 176.336 176.336 176.900 -0.564 19302 1669 1 3 . 1 1 22 22 ASN CA C 22 54.289 54.289 53.078 1.210 19302 1670 1 3 . 1 1 22 22 ASN CB C 22 39.822 39.822 40.050 -0.228 19302 1671 1 3 . 1 1 22 22 ASN H H 22 8.345 8.345 8.010 0.335 19302 1672 1 3 . 1 1 23 23 GLU N N 23 128.726 128.726 127.667 1.059 19302 1673 1 3 . 1 1 23 23 GLU HA H 23 3.927 3.927 4.165 -0.238 19302 1674 1 3 . 1 1 23 23 GLU C C 23 176.348 176.348 177.378 -1.030 19302 1675 1 3 . 1 1 23 23 GLU CA C 23 59.171 59.171 59.710 -0.539 19302 1676 1 3 . 1 1 23 23 GLU CB C 23 30.365 30.365 29.880 0.485 19302 1677 1 3 . 1 1 23 23 GLU H H 23 7.951 7.951 8.527 -0.576 19302 1678 1 3 . 1 1 24 24 LYS N N 24 119.166 119.166 118.409 0.757 19302 1679 1 3 . 1 1 24 24 LYS HA H 24 3.895 3.895 4.144 -0.249 19302 1680 1 3 . 1 1 24 24 LYS C C 24 176.782 176.782 177.871 -1.089 19302 1681 1 3 . 1 1 24 24 LYS CA C 24 58.379 58.379 57.974 0.405 19302 1682 1 3 . 1 1 24 24 LYS CB C 24 30.846 30.846 32.246 -1.401 19302 1683 1 3 . 1 1 24 24 LYS H H 24 8.583 8.583 8.067 0.516 19302 1684 1 3 . 1 1 25 25 TRP N N 25 118.053 118.053 119.837 -1.784 19302 1685 1 3 . 1 1 25 25 TRP HA H 25 4.326 4.326 4.331 -0.005 19302 1686 1 3 . 1 1 25 25 TRP C C 25 177.280 177.280 176.596 0.684 19302 1687 1 3 . 1 1 25 25 TRP CA C 25 56.722 56.722 58.307 -1.585 19302 1688 1 3 . 1 1 25 25 TRP CB C 25 29.506 29.506 29.942 -0.436 19302 1689 1 3 . 1 1 25 25 TRP H H 25 8.169 8.169 7.905 0.264 19302 1690 1 3 . 1 1 26 26 ARG N N 26 127.838 127.838 119.142 8.696 19302 1691 1 3 . 1 1 26 26 ARG HA H 26 3.302 3.302 4.010 -0.708 19302 1692 1 3 . 1 1 26 26 ARG C C 26 177.506 177.506 176.307 1.199 19302 1693 1 3 . 1 1 26 26 ARG CA C 26 59.147 59.147 56.384 2.763 19302 1694 1 3 . 1 1 26 26 ARG CB C 26 29.305 29.305 29.384 -0.078 19302 1695 1 3 . 1 1 26 26 ARG H H 26 7.879 7.879 8.039 -0.160 19302 1696 1 3 . 1 1 27 27 GLY N N 27 116.455 116.455 110.113 6.342 19302 1697 1 3 . 1 1 27 27 GLY C C 27 174.037 174.037 174.238 -0.201 19302 1698 1 3 . 1 1 27 27 GLY CA C 27 45.513 45.513 45.324 0.189 19302 1699 1 3 . 1 1 27 27 GLY H H 27 8.968 8.968 8.921 0.047 19302 1700 1 3 . 1 1 28 28 SER N N 28 115.316 115.316 112.687 2.629 19302 1701 1 3 . 1 1 28 28 SER HA H 28 4.357 4.357 3.899 0.458 19302 1702 1 3 . 1 1 28 28 SER C C 28 174.705 174.705 175.056 -0.351 19302 1703 1 3 . 1 1 28 28 SER CA C 28 58.055 58.055 59.635 -1.580 19302 1704 1 3 . 1 1 28 28 SER CB C 28 65.852 65.852 62.482 3.370 19302 1705 1 3 . 1 1 28 28 SER H H 28 7.718 7.718 7.844 -0.126 19302 1706 1 3 . 1 1 29 29 GLN N N 29 124.252 124.252 121.528 2.724 19302 1707 1 3 . 1 1 29 29 GLN HA H 29 3.940 3.940 4.011 -0.071 19302 1708 1 3 . 1 1 29 29 GLN C C 29 178.221 178.221 177.758 0.463 19302 1709 1 3 . 1 1 29 29 GLN CA C 29 59.678 59.678 58.383 1.296 19302 1710 1 3 . 1 1 29 29 GLN CB C 29 27.932 27.932 28.347 -0.415 19302 1711 1 3 . 1 1 29 29 GLN H H 29 8.987 8.987 8.795 0.192 19302 1712 1 3 . 1 1 30 30 LEU N N 30 119.516 119.516 120.647 -1.131 19302 1713 1 3 . 1 1 30 30 LEU HA H 30 3.649 3.649 4.161 -0.512 19302 1714 1 3 . 1 1 30 30 LEU C C 30 177.674 177.674 177.947 -0.273 19302 1715 1 3 . 1 1 30 30 LEU CA C 30 59.240 59.240 57.821 1.419 19302 1716 1 3 . 1 1 30 30 LEU CB C 30 42.377 42.377 41.258 1.119 19302 1717 1 3 . 1 1 30 30 LEU H H 30 8.469 8.469 7.385 1.084 19302 1718 1 3 . 1 1 31 31 ALA N N 31 118.887 118.887 120.642 -1.755 19302 1719 1 3 . 1 1 31 31 ALA HA H 31 3.787 3.787 4.222 -0.435 19302 1720 1 3 . 1 1 31 31 ALA C C 31 179.914 179.914 179.757 0.157 19302 1721 1 3 . 1 1 31 31 ALA CA C 31 55.346 55.346 54.773 0.573 19302 1722 1 3 . 1 1 31 31 ALA CB C 31 18.725 18.725 18.246 0.479 19302 1723 1 3 . 1 1 31 31 ALA H H 31 7.965 7.965 8.125 -0.160 19302 1724 1 3 . 1 1 32 32 GLN N N 32 119.187 119.187 119.099 0.088 19302 1725 1 3 . 1 1 32 32 GLN HA H 32 3.874 3.874 4.360 -0.486 19302 1726 1 3 . 1 1 32 32 GLN C C 32 179.160 179.160 179.017 0.143 19302 1727 1 3 . 1 1 32 32 GLN CA C 32 59.072 59.072 58.780 0.292 19302 1728 1 3 . 1 1 32 32 GLN CB C 32 28.676 28.676 28.764 -0.088 19302 1729 1 3 . 1 1 32 32 GLN H H 32 8.292 8.292 8.069 0.223 19302 1730 1 3 . 1 1 33 33 GLU N N 33 117.845 117.845 120.157 -2.312 19302 1731 1 3 . 1 1 33 33 GLU HA H 33 3.932 3.932 3.989 -0.057 19302 1732 1 3 . 1 1 33 33 GLU C C 33 178.487 178.487 178.861 -0.374 19302 1733 1 3 . 1 1 33 33 GLU CA C 33 57.948 57.948 59.180 -1.232 19302 1734 1 3 . 1 1 33 33 GLU CB C 33 29.221 29.221 29.372 -0.151 19302 1735 1 3 . 1 1 33 33 GLU H H 33 8.157 8.157 7.947 0.210 19302 1736 1 3 . 1 1 34 34 MET N N 34 116.546 116.546 118.118 -1.572 19302 1737 1 3 . 1 1 34 34 MET HA H 34 3.911 3.911 3.949 -0.038 19302 1738 1 3 . 1 1 34 34 MET C C 34 176.992 176.992 177.531 -0.539 19302 1739 1 3 . 1 1 34 34 MET CA C 34 58.485 58.485 59.528 -1.043 19302 1740 1 3 . 1 1 34 34 MET CB C 34 34.045 34.045 32.541 1.504 19302 1741 1 3 . 1 1 34 34 MET H H 34 7.452 7.452 7.955 -0.503 19302 1742 1 3 . 1 1 35 35 GLN N N 35 118.259 118.259 116.020 2.239 19302 1743 1 3 . 1 1 35 35 GLN HA H 35 4.219 4.219 4.663 -0.444 19302 1744 1 3 . 1 1 35 35 GLN C C 35 176.544 176.544 177.887 -1.343 19302 1745 1 3 . 1 1 35 35 GLN CA C 35 58.039 58.039 56.941 1.098 19302 1746 1 3 . 1 1 35 35 GLN CB C 35 28.381 28.381 28.309 0.072 19302 1747 1 3 . 1 1 35 35 GLN H H 35 7.605 7.605 7.723 -0.118 19302 1748 1 3 . 1 1 36 36 GLY N N 36 110.354 110.354 106.323 4.031 19302 1749 1 3 . 1 1 36 36 GLY C C 36 174.291 174.291 174.468 -0.177 19302 1750 1 3 . 1 1 36 36 GLY CA C 36 45.517 45.517 45.465 0.051 19302 1751 1 3 . 1 1 36 36 GLY H H 36 8.178 8.178 8.707 -0.529 19302 1752 1 3 . 1 1 37 37 LYS N N 37 119.406 119.406 118.756 0.650 19302 1753 1 3 . 1 1 37 37 LYS HA H 37 4.254 4.254 4.499 -0.245 19302 1754 1 3 . 1 1 37 37 LYS C C 37 175.387 175.387 175.816 -0.429 19302 1755 1 3 . 1 1 37 37 LYS CA C 37 57.173 57.173 56.755 0.418 19302 1756 1 3 . 1 1 37 37 LYS CB C 37 35.261 35.261 35.610 -0.349 19302 1757 1 3 . 1 1 37 37 LYS H H 37 7.837 7.837 7.686 0.151 19302 1758 1 3 . 1 1 38 38 ILE N N 38 118.201 118.201 119.792 -1.591 19302 1759 1 3 . 1 1 38 38 ILE HA H 38 4.138 4.138 4.328 -0.190 19302 1760 1 3 . 1 1 38 38 ILE C C 38 172.937 172.937 173.753 -0.816 19302 1761 1 3 . 1 1 38 38 ILE CA C 38 59.055 59.055 59.033 0.022 19302 1762 1 3 . 1 1 38 38 ILE CB C 38 41.631 41.631 41.945 -0.314 19302 1763 1 3 . 1 1 38 38 ILE H H 38 7.821 7.821 7.886 -0.065 19302 1764 1 3 . 1 1 39 39 LYS N N 39 122.826 122.826 122.645 0.181 19302 1765 1 3 . 1 1 39 39 LYS HA H 39 4.187 4.187 4.646 -0.459 19302 1766 1 3 . 1 1 39 39 LYS C C 39 174.751 174.751 174.556 0.195 19302 1767 1 3 . 1 1 39 39 LYS CA C 39 55.865 55.865 55.997 -0.132 19302 1768 1 3 . 1 1 39 39 LYS CB C 39 33.007 33.007 33.452 -0.445 19302 1769 1 3 . 1 1 39 39 LYS H H 39 7.126 7.126 8.676 -1.550 19302 1770 1 3 . 1 1 40 40 LEU N N 40 124.298 124.298 126.290 -1.992 19302 1771 1 3 . 1 1 40 40 LEU HA H 40 4.667 4.667 5.319 -0.652 19302 1772 1 3 . 1 1 40 40 LEU C C 40 176.473 176.473 175.876 0.597 19302 1773 1 3 . 1 1 40 40 LEU CA C 40 54.607 54.607 53.505 1.102 19302 1774 1 3 . 1 1 40 40 LEU CB C 40 44.102 44.102 45.353 -1.251 19302 1775 1 3 . 1 1 40 40 LEU H H 40 8.102 8.102 8.459 -0.357 19302 1776 1 3 . 1 1 41 41 ILE N N 41 124.128 124.128 121.970 2.158 19302 1777 1 3 . 1 1 41 41 ILE HA H 41 4.092 4.092 4.559 -0.467 19302 1778 1 3 . 1 1 41 41 ILE C C 41 174.360 174.360 174.298 0.062 19302 1779 1 3 . 1 1 41 41 ILE CA C 41 60.208 60.208 60.245 -0.037 19302 1780 1 3 . 1 1 41 41 ILE CB C 41 40.867 40.867 41.863 -0.996 19302 1781 1 3 . 1 1 41 41 ILE H H 41 8.208 8.208 8.595 -0.387 19302 1782 1 3 . 1 1 42 42 PHE N N 42 125.226 125.226 122.568 2.658 19302 1783 1 3 . 1 1 42 42 PHE HA H 42 5.501 5.501 5.641 -0.140 19302 1784 1 3 . 1 1 42 42 PHE C C 42 176.313 176.313 175.987 0.326 19302 1785 1 3 . 1 1 42 42 PHE CA C 42 57.720 57.720 56.503 1.217 19302 1786 1 3 . 1 1 42 42 PHE CB C 42 41.630 41.630 41.567 0.063 19302 1787 1 3 . 1 1 42 42 PHE H H 42 8.636 8.636 8.875 -0.239 19302 1788 1 3 . 1 1 43 43 GLU N N 43 121.397 121.397 123.902 -2.505 19302 1789 1 3 . 1 1 43 43 GLU HA H 43 4.643 4.643 4.754 -0.111 19302 1790 1 3 . 1 1 43 43 GLU C C 43 175.211 175.211 174.928 0.283 19302 1791 1 3 . 1 1 43 43 GLU CA C 43 55.131 55.131 55.165 -0.034 19302 1792 1 3 . 1 1 43 43 GLU CB C 43 33.367 33.367 33.800 -0.433 19302 1793 1 3 . 1 1 43 43 GLU H H 43 8.589 8.589 8.554 0.035 19302 1794 1 3 . 1 1 44 44 ASP N N 44 124.759 124.759 123.615 1.144 19302 1795 1 3 . 1 1 44 44 ASP HA H 44 4.708 4.708 4.642 0.066 19302 1796 1 3 . 1 1 44 44 ASP C C 44 177.308 177.308 176.312 0.996 19302 1797 1 3 . 1 1 44 44 ASP CA C 44 53.737 53.737 53.739 -0.002 19302 1798 1 3 . 1 1 44 44 ASP CB C 44 42.365 42.365 40.276 2.089 19302 1799 1 3 . 1 1 44 44 ASP H H 44 8.729 8.729 8.669 0.060 19302 1800 1 3 . 1 1 45 45 GLY N N 45 108.414 108.414 110.958 -2.544 19302 1801 1 3 . 1 1 45 45 GLY C C 45 174.426 174.426 174.256 0.170 19302 1802 1 3 . 1 1 45 45 GLY CA C 45 46.367 46.367 45.121 1.246 19302 1803 1 3 . 1 1 45 45 GLY H H 45 8.564 8.564 8.558 0.006 19302 1804 1 3 . 1 1 46 46 LEU N N 46 119.025 119.025 121.317 -2.292 19302 1805 1 3 . 1 1 46 46 LEU HA H 46 4.356 4.356 4.406 -0.050 19302 1806 1 3 . 1 1 46 46 LEU C C 46 177.414 177.414 176.583 0.831 19302 1807 1 3 . 1 1 46 46 LEU CA C 46 54.189 54.189 54.573 -0.384 19302 1808 1 3 . 1 1 46 46 LEU CB C 46 43.853 43.853 42.224 1.629 19302 1809 1 3 . 1 1 46 46 LEU H H 46 7.130 7.130 7.765 -0.635 19302 1810 1 3 . 1 1 47 47 THR N N 47 117.926 117.926 110.881 7.045 19302 1811 1 3 . 1 1 47 47 THR HA H 47 4.326 4.326 4.557 -0.231 19302 1812 1 3 . 1 1 47 47 THR CA C 47 67.458 67.458 62.025 5.433 19302 1813 1 3 . 1 1 47 47 THR H H 47 9.042 9.042 8.172 0.870 19302 1814 1 3 . 1 1 48 48 PRO HA H 48 4.163 4.163 4.153 0.010 19302 1815 1 3 . 1 1 48 48 PRO CA C 48 62.301 62.301 63.057 -0.756 19302 1816 1 3 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.575 -1.050 19302 1817 1 3 . 1 1 49 49 ASP N N 49 116.671 116.671 117.602 -0.931 19302 1818 1 3 . 1 1 49 49 ASP HA H 49 4.336 4.336 4.388 -0.052 19302 1819 1 3 . 1 1 49 49 ASP C C 49 174.082 174.082 175.788 -1.706 19302 1820 1 3 . 1 1 49 49 ASP CA C 49 58.985 58.985 55.861 3.124 19302 1821 1 3 . 1 1 49 49 ASP CB C 49 43.773 43.773 42.263 1.510 19302 1822 1 3 . 1 1 49 49 ASP H H 49 7.731 7.731 7.893 -0.162 19302 1823 1 3 . 1 1 50 50 PHE N N 50 109.227 109.227 116.906 -7.679 19302 1824 1 3 . 1 1 50 50 PHE HA H 50 5.488 5.488 5.521 -0.033 19302 1825 1 3 . 1 1 50 50 PHE C C 50 175.293 175.293 174.290 1.003 19302 1826 1 3 . 1 1 50 50 PHE CA C 50 55.516 55.516 56.638 -1.122 19302 1827 1 3 . 1 1 50 50 PHE CB C 50 43.280 43.280 43.634 -0.354 19302 1828 1 3 . 1 1 50 50 PHE H H 50 7.324 7.324 7.933 -0.609 19302 1829 1 3 . 1 1 51 51 TYR N N 51 122.688 122.688 121.953 0.735 19302 1830 1 3 . 1 1 51 51 TYR HA H 51 4.717 4.717 4.765 -0.048 19302 1831 1 3 . 1 1 51 51 TYR C C 51 174.427 174.427 174.400 0.027 19302 1832 1 3 . 1 1 51 51 TYR CA C 51 59.097 59.097 57.794 1.303 19302 1833 1 3 . 1 1 51 51 TYR CB C 51 39.893 39.893 40.421 -0.528 19302 1834 1 3 . 1 1 51 51 TYR H H 51 9.944 9.944 8.686 1.258 19302 1835 1 3 . 1 1 52 52 LEU N N 52 121.948 121.948 127.484 -5.536 19302 1836 1 3 . 1 1 52 52 LEU HA H 52 4.231 4.231 4.465 -0.234 19302 1837 1 3 . 1 1 52 52 LEU C C 52 175.771 175.771 175.930 -0.159 19302 1838 1 3 . 1 1 52 52 LEU CA C 52 55.320 55.320 54.654 0.666 19302 1839 1 3 . 1 1 52 52 LEU CB C 52 42.874 42.874 43.934 -1.060 19302 1840 1 3 . 1 1 52 52 LEU H H 52 8.225 8.225 7.773 0.452 19302 1841 1 3 . 1 1 53 53 SER N N 53 111.729 111.729 110.570 1.159 19302 1842 1 3 . 1 1 53 53 SER HA H 53 4.267 4.267 4.617 -0.350 19302 1843 1 3 . 1 1 53 53 SER C C 53 173.134 173.134 173.139 -0.005 19302 1844 1 3 . 1 1 53 53 SER CA C 53 56.843 56.843 57.610 -0.767 19302 1845 1 3 . 1 1 53 53 SER CB C 53 64.642 64.642 64.937 -0.295 19302 1846 1 3 . 1 1 53 53 SER H H 53 8.487 8.487 7.363 1.124 19302 1847 1 3 . 1 1 54 54 ASN N N 54 116.204 116.204 120.990 -4.786 19302 1848 1 3 . 1 1 54 54 ASN HA H 54 4.388 4.388 4.528 -0.140 19302 1849 1 3 . 1 1 54 54 ASN C C 54 175.095 175.095 175.549 -0.454 19302 1850 1 3 . 1 1 54 54 ASN CA C 54 55.905 55.905 54.807 1.098 19302 1851 1 3 . 1 1 54 54 ASN CB C 54 37.761 37.761 38.287 -0.526 19302 1852 1 3 . 1 1 54 54 ASN H H 54 8.682 8.682 8.921 -0.239 19302 1853 1 3 . 1 1 55 55 ARG N N 55 112.605 112.605 116.656 -4.051 19302 1854 1 3 . 1 1 55 55 ARG HA H 55 4.607 4.607 4.380 0.227 19302 1855 1 3 . 1 1 55 55 ARG C C 55 175.506 175.506 173.911 1.595 19302 1856 1 3 . 1 1 55 55 ARG CA C 55 55.586 55.586 55.707 -0.121 19302 1857 1 3 . 1 1 55 55 ARG CB C 55 31.688 31.688 31.771 -0.083 19302 1858 1 3 . 1 1 55 55 ARG H H 55 7.783 7.783 7.625 0.158 19302 1859 1 3 . 1 1 56 56 CYS N N 56 122.261 122.261 118.535 3.726 19302 1860 1 3 . 1 1 56 56 CYS HA H 56 5.194 5.194 5.299 -0.105 19302 1861 1 3 . 1 1 56 56 CYS C C 56 172.619 172.619 172.412 0.207 19302 1862 1 3 . 1 1 56 56 CYS CA C 56 58.099 58.099 57.203 0.895 19302 1863 1 3 . 1 1 56 56 CYS CB C 56 28.338 28.338 29.671 -1.333 19302 1864 1 3 . 1 1 56 56 CYS H H 56 7.379 7.379 8.557 -1.178 19302 1865 1 3 . 1 1 57 57 CYS N N 57 124.705 124.705 122.308 2.397 19302 1866 1 3 . 1 1 57 57 CYS HA H 57 5.380 5.380 5.011 0.369 19302 1867 1 3 . 1 1 57 57 CYS C C 57 160.640 160.640 172.557 -11.917 19302 1868 1 3 . 1 1 57 57 CYS CA C 57 54.521 54.521 55.889 -1.368 19302 1869 1 3 . 1 1 57 57 CYS CB C 57 32.506 32.506 31.732 0.774 19302 1870 1 3 . 1 1 57 57 CYS H H 57 8.980 8.980 8.256 0.724 19302 1871 1 3 . 1 1 58 58 ILE N N 58 118.279 118.279 118.640 -0.361 19302 1872 1 3 . 1 1 58 58 ILE HA H 58 5.181 5.181 5.142 0.039 19302 1873 1 3 . 1 1 58 58 ILE C C 58 175.707 175.707 174.260 1.447 19302 1874 1 3 . 1 1 58 58 ILE CA C 58 58.535 58.535 60.185 -1.650 19302 1875 1 3 . 1 1 58 58 ILE CB C 58 41.538 41.538 41.987 -0.449 19302 1876 1 3 . 1 1 58 58 ILE H H 58 8.960 8.960 8.573 0.387 19302 1877 1 3 . 1 1 59 59 LEU N N 59 130.422 130.422 127.094 3.328 19302 1878 1 3 . 1 1 59 59 LEU HA H 59 4.716 4.716 4.675 0.041 19302 1879 1 3 . 1 1 59 59 LEU C C 59 172.275 172.275 173.884 -1.609 19302 1880 1 3 . 1 1 59 59 LEU CA C 59 53.756 53.756 53.926 -0.170 19302 1881 1 3 . 1 1 59 59 LEU CB C 59 42.530 42.530 46.286 -3.756 19302 1882 1 3 . 1 1 59 59 LEU H H 59 9.078 9.078 8.918 0.160 19302 1883 1 3 . 1 1 60 60 TYR N N 60 129.820 129.820 127.035 2.785 19302 1884 1 3 . 1 1 60 60 TYR HA H 60 5.110 5.110 5.100 0.010 19302 1885 1 3 . 1 1 60 60 TYR C C 60 174.911 174.911 174.340 0.571 19302 1886 1 3 . 1 1 60 60 TYR CA C 60 56.689 56.689 57.165 -0.476 19302 1887 1 3 . 1 1 60 60 TYR CB C 60 41.643 41.643 41.249 0.394 19302 1888 1 3 . 1 1 60 60 TYR H H 60 10.120 10.120 9.681 0.439 19302 1889 1 3 . 1 1 61 61 VAL N N 61 132.504 132.504 127.078 5.426 19302 1890 1 3 . 1 1 61 61 VAL HA H 61 4.232 4.232 4.488 -0.256 19302 1891 1 3 . 1 1 61 61 VAL C C 61 174.433 174.433 174.897 -0.464 19302 1892 1 3 . 1 1 61 61 VAL CA C 61 61.641 61.641 60.014 1.627 19302 1893 1 3 . 1 1 61 61 VAL CB C 61 33.305 33.305 34.824 -1.519 19302 1894 1 3 . 1 1 61 61 VAL H H 61 8.903 8.903 8.668 0.235 19302 1895 1 3 . 1 1 62 62 THR N N 62 116.863 116.863 117.309 -0.446 19302 1896 1 3 . 1 1 62 62 THR HA H 62 4.024 4.024 4.754 -0.730 19302 1897 1 3 . 1 1 62 62 THR C C 62 175.118 175.118 175.395 -0.277 19302 1898 1 3 . 1 1 62 62 THR CA C 62 60.650 60.650 59.241 1.409 19302 1899 1 3 . 1 1 62 62 THR CB C 62 72.134 72.134 71.131 1.003 19302 1900 1 3 . 1 1 62 62 THR H H 62 8.559 8.559 8.635 -0.076 19302 1901 1 3 . 1 1 63 63 GLU N N 63 120.767 120.767 128.148 -7.381 19302 1902 1 3 . 1 1 63 63 GLU HA H 63 3.776 3.776 3.979 -0.203 19302 1903 1 3 . 1 1 63 63 GLU C C 63 177.194 177.194 177.602 -0.408 19302 1904 1 3 . 1 1 63 63 GLU CA C 63 60.496 60.496 59.749 0.747 19302 1905 1 3 . 1 1 63 63 GLU CB C 63 30.709 30.709 28.892 1.817 19302 1906 1 3 . 1 1 63 63 GLU H H 63 9.165 9.165 8.916 0.249 19302 1907 1 3 . 1 1 64 64 ALA N N 64 119.167 119.167 121.279 -2.112 19302 1908 1 3 . 1 1 64 64 ALA HA H 64 3.998 3.998 4.043 -0.045 19302 1909 1 3 . 1 1 64 64 ALA C C 64 180.477 180.477 178.849 1.628 19302 1910 1 3 . 1 1 64 64 ALA CA C 64 54.912 54.912 54.242 0.670 19302 1911 1 3 . 1 1 64 64 ALA CB C 64 17.899 17.899 18.480 -0.581 19302 1912 1 3 . 1 1 64 64 ALA H H 64 7.919 7.919 7.535 0.384 19302 1913 1 3 . 1 1 65 65 ASP N N 65 119.995 119.995 118.816 1.179 19302 1914 1 3 . 1 1 65 65 ASP HA H 65 4.026 4.026 4.528 -0.502 19302 1915 1 3 . 1 1 65 65 ASP C C 65 177.891 177.891 178.608 -0.717 19302 1916 1 3 . 1 1 65 65 ASP CA C 65 57.412 57.412 55.722 1.690 19302 1917 1 3 . 1 1 65 65 ASP CB C 65 41.112 41.112 40.761 0.351 19302 1918 1 3 . 1 1 65 65 ASP H H 65 7.851 7.851 8.565 -0.714 19302 1919 1 3 . 1 1 66 66 LEU N N 66 118.585 118.585 121.712 -3.127 19302 1920 1 3 . 1 1 66 66 LEU HA H 66 3.813 3.813 4.091 -0.278 19302 1921 1 3 . 1 1 66 66 LEU C C 66 178.892 178.892 178.067 0.825 19302 1922 1 3 . 1 1 66 66 LEU CA C 66 56.943 56.943 57.571 -0.628 19302 1923 1 3 . 1 1 66 66 LEU CB C 66 41.700 41.700 42.185 -0.485 19302 1924 1 3 . 1 1 66 66 LEU H H 66 7.210 7.210 7.222 -0.012 19302 1925 1 3 . 1 1 67 67 VAL N N 67 117.714 117.714 115.884 1.830 19302 1926 1 3 . 1 1 67 67 VAL HA H 67 3.088 3.088 3.708 -0.620 19302 1927 1 3 . 1 1 67 67 VAL C C 67 177.430 177.430 176.785 0.645 19302 1928 1 3 . 1 1 67 67 VAL CA C 67 64.392 64.392 64.198 0.194 19302 1929 1 3 . 1 1 67 67 VAL CB C 67 31.974 31.974 31.635 0.339 19302 1930 1 3 . 1 1 67 67 VAL H H 67 7.774 7.774 7.579 0.195 19302 1931 1 3 . 1 1 68 68 ALA N N 68 120.210 120.210 122.675 -2.465 19302 1932 1 3 . 1 1 68 68 ALA HA H 68 3.992 3.992 4.284 -0.292 19302 1933 1 3 . 1 1 68 68 ALA C C 68 178.127 178.127 177.714 0.413 19302 1934 1 3 . 1 1 68 68 ALA CA C 68 53.540 53.540 53.256 0.284 19302 1935 1 3 . 1 1 68 68 ALA CB C 68 18.849 18.849 20.068 -1.219 19302 1936 1 3 . 1 1 68 68 ALA H H 68 7.336 7.336 7.644 -0.308 19302 1937 1 3 . 1 1 69 69 GLY N N 69 106.149 106.149 106.827 -0.678 19302 1938 1 3 . 1 1 69 69 GLY C C 69 173.298 173.298 173.539 -0.241 19302 1939 1 3 . 1 1 69 69 GLY CA C 69 45.057 45.057 45.547 -0.490 19302 1940 1 3 . 1 1 69 69 GLY H H 69 7.143 7.143 8.286 -1.143 19302 1941 1 3 . 1 1 70 70 ASN N N 70 118.879 118.879 116.554 2.325 19302 1942 1 3 . 1 1 70 70 ASN HA H 70 4.855 4.855 4.758 0.097 19302 1943 1 3 . 1 1 70 70 ASN C C 70 177.766 177.766 174.257 3.509 19302 1944 1 3 . 1 1 70 70 ASN CA C 70 52.611 52.611 52.881 -0.270 19302 1945 1 3 . 1 1 70 70 ASN CB C 70 38.356 38.356 38.830 -0.474 19302 1946 1 3 . 1 1 70 70 ASN H H 70 8.316 8.316 8.096 0.220 19302 1947 1 3 . 1 1 71 71 GLY N N 71 114.725 114.725 108.978 5.747 19302 1948 1 3 . 1 1 71 71 GLY C C 71 176.515 176.515 174.581 1.934 19302 1949 1 3 . 1 1 71 71 GLY CA C 71 47.575 47.575 45.793 1.782 19302 1950 1 3 . 1 1 71 71 GLY H H 71 8.812 8.812 7.881 0.931 19302 1951 1 3 . 1 1 72 72 TYR N N 72 118.594 118.594 123.939 -5.345 19302 1952 1 3 . 1 1 72 72 TYR HA H 72 4.182 4.182 4.363 -0.181 19302 1953 1 3 . 1 1 72 72 TYR C C 72 176.205 176.205 176.680 -0.475 19302 1954 1 3 . 1 1 72 72 TYR CA C 72 59.287 59.287 59.456 -0.169 19302 1955 1 3 . 1 1 72 72 TYR CB C 72 37.305 37.305 38.639 -1.334 19302 1956 1 3 . 1 1 72 72 TYR H H 72 8.067 8.067 8.577 -0.510 19302 1957 1 3 . 1 1 73 73 ARG N N 73 119.967 119.967 119.381 0.586 19302 1958 1 3 . 1 1 73 73 ARG HA H 73 3.261 3.261 3.874 -0.613 19302 1959 1 3 . 1 1 73 73 ARG C C 73 177.612 177.612 177.637 -0.025 19302 1960 1 3 . 1 1 73 73 ARG CA C 73 59.984 59.984 58.979 1.005 19302 1961 1 3 . 1 1 73 73 ARG CB C 73 29.286 29.286 29.804 -0.518 19302 1962 1 3 . 1 1 73 73 ARG H H 73 6.715 6.715 8.438 -1.723 19302 1963 1 3 . 1 1 74 74 LYS N N 74 116.928 116.928 118.462 -1.534 19302 1964 1 3 . 1 1 74 74 LYS HA H 74 3.728 3.728 4.028 -0.300 19302 1965 1 3 . 1 1 74 74 LYS C C 74 179.161 179.161 178.840 0.321 19302 1966 1 3 . 1 1 74 74 LYS CA C 74 59.770 59.770 58.248 1.522 19302 1967 1 3 . 1 1 74 74 LYS CB C 74 32.037 32.037 32.219 -0.182 19302 1968 1 3 . 1 1 74 74 LYS H H 74 7.169 7.169 7.444 -0.275 19302 1969 1 3 . 1 1 75 75 ARG N N 75 117.727 117.727 119.598 -1.871 19302 1970 1 3 . 1 1 75 75 ARG HA H 75 3.753 3.753 3.919 -0.166 19302 1971 1 3 . 1 1 75 75 ARG C C 75 177.176 177.176 178.422 -1.246 19302 1972 1 3 . 1 1 75 75 ARG CA C 75 59.596 59.596 58.511 1.085 19302 1973 1 3 . 1 1 75 75 ARG CB C 75 31.110 31.110 28.999 2.111 19302 1974 1 3 . 1 1 75 75 ARG H H 75 7.511 7.511 8.025 -0.514 19302 1975 1 3 . 1 1 76 76 LEU N N 76 118.105 118.105 118.908 -0.803 19302 1976 1 3 . 1 1 76 76 LEU HA H 76 3.575 3.575 3.917 -0.342 19302 1977 1 3 . 1 1 76 76 LEU C C 76 178.325 178.325 178.430 -0.105 19302 1978 1 3 . 1 1 76 76 LEU CA C 76 59.496 59.496 58.040 1.456 19302 1979 1 3 . 1 1 76 76 LEU CB C 76 41.124 41.124 41.797 -0.673 19302 1980 1 3 . 1 1 76 76 LEU H H 76 6.770 6.770 7.152 -0.382 19302 1981 1 3 . 1 1 77 77 VAL N N 77 117.854 117.854 118.874 -1.020 19302 1982 1 3 . 1 1 77 77 VAL HA H 77 3.243 3.243 3.536 -0.293 19302 1983 1 3 . 1 1 77 77 VAL C C 77 177.335 177.335 178.176 -0.841 19302 1984 1 3 . 1 1 77 77 VAL CA C 77 66.596 66.596 66.867 -0.271 19302 1985 1 3 . 1 1 77 77 VAL CB C 77 31.703 31.703 31.324 0.379 19302 1986 1 3 . 1 1 77 77 VAL H H 77 7.800 7.800 7.499 0.301 19302 1987 1 3 . 1 1 78 78 ARG N N 78 118.783 118.783 119.918 -1.135 19302 1988 1 3 . 1 1 78 78 ARG HA H 78 3.872 3.872 4.046 -0.174 19302 1989 1 3 . 1 1 78 78 ARG C C 78 179.484 179.484 178.825 0.659 19302 1990 1 3 . 1 1 78 78 ARG CA C 78 59.337 59.337 59.327 0.010 19302 1991 1 3 . 1 1 78 78 ARG CB C 78 29.921 29.921 30.039 -0.118 19302 1992 1 3 . 1 1 78 78 ARG H H 78 7.385 7.385 7.552 -0.167 19302 1993 1 3 . 1 1 79 79 VAL N N 79 118.747 118.747 118.673 0.074 19302 1994 1 3 . 1 1 79 79 VAL HA H 79 3.434 3.434 3.660 -0.226 19302 1995 1 3 . 1 1 79 79 VAL C C 79 177.902 177.902 177.323 0.579 19302 1996 1 3 . 1 1 79 79 VAL CA C 79 66.771 66.771 66.285 0.486 19302 1997 1 3 . 1 1 79 79 VAL CB C 79 31.327 31.327 31.769 -0.442 19302 1998 1 3 . 1 1 79 79 VAL H H 79 7.374 7.374 7.796 -0.422 19302 1999 1 3 . 1 1 80 80 ARG N N 80 122.868 122.868 117.598 5.270 19302 2000 1 3 . 1 1 80 80 ARG HA H 80 3.960 3.960 4.210 -0.250 19302 2001 1 3 . 1 1 80 80 ARG C C 80 177.893 177.893 177.982 -0.089 19302 2002 1 3 . 1 1 80 80 ARG CA C 80 58.256 58.256 58.056 0.200 19302 2003 1 3 . 1 1 80 80 ARG CB C 80 29.141 29.141 30.688 -1.547 19302 2004 1 3 . 1 1 80 80 ARG H H 80 8.268 8.268 8.256 0.012 19302 2005 1 3 . 1 1 81 81 ASN N N 81 115.469 115.469 117.742 -2.273 19302 2006 1 3 . 1 1 81 81 ASN HA H 81 4.528 4.528 4.582 -0.054 19302 2007 1 3 . 1 1 81 81 ASN C C 81 175.329 175.329 177.034 -1.705 19302 2008 1 3 . 1 1 81 81 ASN CA C 81 53.553 53.553 54.527 -0.974 19302 2009 1 3 . 1 1 81 81 ASN CB C 81 38.358 38.358 38.263 0.096 19302 2010 1 3 . 1 1 81 81 ASN H H 81 7.878 7.878 8.321 -0.443 19302 2011 1 3 . 1 1 82 82 SER N N 82 117.226 117.226 114.700 2.526 19302 2012 1 3 . 1 1 82 82 SER HA H 82 4.350 4.350 4.247 0.103 19302 2013 1 3 . 1 1 82 82 SER C C 82 175.243 175.243 174.549 0.694 19302 2014 1 3 . 1 1 82 82 SER CA C 82 59.045 59.045 60.276 -1.231 19302 2015 1 3 . 1 1 82 82 SER CB C 82 63.929 63.929 63.428 0.501 19302 2016 1 3 . 1 1 82 82 SER H H 82 7.528 7.528 7.981 -0.453 19302 2017 1 3 . 1 1 83 83 ASN N N 83 121.059 121.059 117.620 3.439 19302 2018 1 3 . 1 1 83 83 ASN HA H 83 4.402 4.402 4.738 -0.336 19302 2019 1 3 . 1 1 83 83 ASN C C 83 175.260 175.260 173.160 2.100 19302 2020 1 3 . 1 1 83 83 ASN CA C 83 54.583 54.583 53.595 0.988 19302 2021 1 3 . 1 1 83 83 ASN CB C 83 38.909 38.909 38.964 -0.055 19302 2022 1 3 . 1 1 83 83 ASN H H 83 8.348 8.348 7.492 0.856 19302 2023 1 3 . 1 1 84 84 ASN N N 84 117.070 117.070 119.052 -1.982 19302 2024 1 3 . 1 1 84 84 ASN HA H 84 4.422 4.422 4.890 -0.468 19302 2025 1 3 . 1 1 84 84 ASN C C 84 173.609 173.609 173.579 0.030 19302 2026 1 3 . 1 1 84 84 ASN CA C 84 53.753 53.753 53.480 0.273 19302 2027 1 3 . 1 1 84 84 ASN CB C 84 38.551 38.551 38.264 0.287 19302 2028 1 3 . 1 1 84 84 ASN H H 84 8.466 8.466 8.492 -0.026 19302 2029 1 3 . 1 1 85 85 LEU N N 85 119.048 119.048 119.665 -0.617 19302 2030 1 3 . 1 1 85 85 LEU HA H 85 4.518 4.518 4.690 -0.172 19302 2031 1 3 . 1 1 85 85 LEU C C 85 175.397 175.397 175.828 -0.431 19302 2032 1 3 . 1 1 85 85 LEU CA C 85 54.094 54.094 52.819 1.275 19302 2033 1 3 . 1 1 85 85 LEU CB C 85 44.902 44.902 44.247 0.655 19302 2034 1 3 . 1 1 85 85 LEU H H 85 7.453 7.453 7.619 -0.166 19302 2035 1 3 . 1 1 86 86 LYS N N 86 125.959 125.959 120.133 5.826 19302 2036 1 3 . 1 1 86 86 LYS HA H 86 4.397 4.397 4.456 -0.059 19302 2037 1 3 . 1 1 86 86 LYS C C 86 175.209 175.209 175.553 -0.344 19302 2038 1 3 . 1 1 86 86 LYS CA C 86 54.934 54.934 56.075 -1.141 19302 2039 1 3 . 1 1 86 86 LYS CB C 86 33.581 33.581 32.780 0.801 19302 2040 1 3 . 1 1 86 86 LYS H H 86 8.242 8.242 8.219 0.023 19302 2041 1 3 . 1 1 87 87 GLY N N 87 113.359 113.359 111.496 1.863 19302 2042 1 3 . 1 1 87 87 GLY C C 87 171.780 171.780 172.843 -1.063 19302 2043 1 3 . 1 1 87 87 GLY CA C 87 44.894 44.894 44.198 0.696 19302 2044 1 3 . 1 1 87 87 GLY H H 87 8.840 8.840 8.303 0.537 19302 2045 1 3 . 1 1 88 88 ILE N N 88 125.743 125.743 123.442 2.301 19302 2046 1 3 . 1 1 88 88 ILE HA H 88 4.077 4.077 4.862 -0.785 19302 2047 1 3 . 1 1 88 88 ILE C C 88 174.254 174.254 175.110 -0.856 19302 2048 1 3 . 1 1 88 88 ILE CA C 88 60.766 60.766 60.805 -0.039 19302 2049 1 3 . 1 1 88 88 ILE CB C 88 40.483 40.483 40.068 0.415 19302 2050 1 3 . 1 1 88 88 ILE H H 88 8.411 8.411 8.230 0.181 19302 2051 1 3 . 1 1 89 89 VAL N N 89 129.556 129.556 126.631 2.925 19302 2052 1 3 . 1 1 89 89 VAL HA H 89 4.762 4.762 4.676 0.086 19302 2053 1 3 . 1 1 89 89 VAL C C 89 174.205 174.205 175.567 -1.362 19302 2054 1 3 . 1 1 89 89 VAL CA C 89 61.224 61.224 61.121 0.103 19302 2055 1 3 . 1 1 89 89 VAL CB C 89 31.924 31.924 32.291 -0.367 19302 2056 1 3 . 1 1 89 89 VAL H H 89 8.859 8.859 8.899 -0.040 19302 2057 1 3 . 1 1 90 90 VAL N N 90 130.678 130.678 127.867 2.811 19302 2058 1 3 . 1 1 90 90 VAL HA H 90 4.804 4.804 4.345 0.459 19302 2059 1 3 . 1 1 90 90 VAL C C 90 173.650 173.650 174.628 -0.978 19302 2060 1 3 . 1 1 90 90 VAL CA C 90 60.478 60.478 61.351 -0.873 19302 2061 1 3 . 1 1 90 90 VAL CB C 90 33.666 33.666 32.658 1.008 19302 2062 1 3 . 1 1 90 90 VAL H H 90 8.747 8.747 9.196 -0.449 19302 2063 1 3 . 1 1 91 91 VAL N N 91 122.793 122.793 124.354 -1.561 19302 2064 1 3 . 1 1 91 91 VAL HA H 91 5.019 5.019 4.263 0.756 19302 2065 1 3 . 1 1 91 91 VAL C C 91 173.241 173.241 174.197 -0.956 19302 2066 1 3 . 1 1 91 91 VAL CA C 91 56.898 56.898 60.361 -3.463 19302 2067 1 3 . 1 1 91 91 VAL CB C 91 35.349 35.349 35.674 -0.325 19302 2068 1 3 . 1 1 91 91 VAL H H 91 7.758 7.758 8.223 -0.465 19302 2069 1 3 . 1 1 92 92 GLU N N 92 125.925 125.925 126.222 -0.297 19302 2070 1 3 . 1 1 92 92 GLU HA H 92 4.208 4.208 4.363 -0.155 19302 2071 1 3 . 1 1 92 92 GLU C C 92 173.665 173.665 174.992 -1.327 19302 2072 1 3 . 1 1 92 92 GLU CA C 92 55.740 55.740 55.731 0.009 19302 2073 1 3 . 1 1 92 92 GLU CB C 92 29.433 29.433 31.416 -1.983 19302 2074 1 3 . 1 1 92 92 GLU H H 92 7.501 7.501 8.041 -0.540 19302 2075 1 3 . 1 1 93 93 LYS N N 93 132.415 132.415 126.779 5.636 19302 2076 1 3 . 1 1 93 93 LYS HA H 93 4.033 4.033 4.316 -0.283 19302 2077 1 3 . 1 1 93 93 LYS C C 93 173.582 173.582 176.001 -2.419 19302 2078 1 3 . 1 1 93 93 LYS CA C 93 55.460 55.460 56.204 -0.744 19302 2079 1 3 . 1 1 93 93 LYS CB C 93 33.506 33.506 33.240 0.266 19302 2080 1 3 . 1 1 93 93 LYS H H 93 9.015 9.015 8.522 0.493 19302 2081 1 3 . 1 1 94 94 THR N N 94 118.315 118.315 114.332 3.983 19302 2082 1 3 . 1 1 94 94 THR HA H 94 4.600 4.600 4.629 -0.029 19302 2083 1 3 . 1 1 94 94 THR C C 94 174.933 174.933 174.304 0.629 19302 2084 1 3 . 1 1 94 94 THR CA C 94 58.678 58.678 61.944 -3.265 19302 2085 1 3 . 1 1 94 94 THR CB C 94 72.561 72.561 70.328 2.233 19302 2086 1 3 . 1 1 94 94 THR H H 94 8.288 8.288 8.099 0.189 19302 2087 1 3 . 1 1 95 95 ARG N N 95 119.684 119.684 119.060 0.624 19302 2088 1 3 . 1 1 95 95 ARG HA H 95 3.960 3.960 4.752 -0.792 19302 2089 1 3 . 1 1 95 95 ARG C C 95 178.617 178.617 177.570 1.047 19302 2090 1 3 . 1 1 95 95 ARG CA C 95 59.240 59.240 56.200 3.039 19302 2091 1 3 . 1 1 95 95 ARG CB C 95 29.480 29.480 31.032 -1.552 19302 2092 1 3 . 1 1 95 95 ARG H H 95 8.719 8.719 8.033 0.686 19302 2093 1 3 . 1 1 96 96 MET N N 96 115.656 115.656 120.450 -4.794 19302 2094 1 3 . 1 1 96 96 MET HA H 96 4.332 4.332 4.369 -0.037 19302 2095 1 3 . 1 1 96 96 MET C C 96 177.312 177.312 177.476 -0.164 19302 2096 1 3 . 1 1 96 96 MET CA C 96 56.615 56.615 58.362 -1.747 19302 2097 1 3 . 1 1 96 96 MET CB C 96 32.723 32.723 32.261 0.462 19302 2098 1 3 . 1 1 96 96 MET H H 96 7.895 7.895 8.577 -0.682 19302 2099 1 3 . 1 1 97 97 SER N N 97 114.024 114.024 116.961 -2.937 19302 2100 1 3 . 1 1 97 97 SER HA H 97 4.648 4.648 4.328 0.320 19302 2101 1 3 . 1 1 97 97 SER C C 97 176.743 176.743 175.898 0.845 19302 2102 1 3 . 1 1 97 97 SER CA C 97 58.484 58.484 61.740 -3.256 19302 2103 1 3 . 1 1 97 97 SER CB C 97 65.103 65.103 62.625 2.478 19302 2104 1 3 . 1 1 97 97 SER H H 97 8.108 8.108 8.430 -0.322 19302 2105 1 3 . 1 1 98 98 GLU N N 98 124.701 124.701 119.484 5.217 19302 2106 1 3 . 1 1 98 98 GLU HA H 98 3.689 3.689 4.280 -0.591 19302 2107 1 3 . 1 1 98 98 GLU C C 98 178.994 178.994 178.192 0.802 19302 2108 1 3 . 1 1 98 98 GLU CA C 98 60.482 60.482 59.243 1.239 19302 2109 1 3 . 1 1 98 98 GLU CB C 98 29.096 29.096 28.834 0.262 19302 2110 1 3 . 1 1 98 98 GLU H H 98 8.229 8.229 8.894 -0.665 19302 2111 1 3 . 1 1 99 99 GLN N N 99 117.637 117.637 116.810 0.827 19302 2112 1 3 . 1 1 99 99 GLN HA H 99 4.008 4.008 3.983 0.025 19302 2113 1 3 . 1 1 99 99 GLN C C 99 176.402 176.402 177.285 -0.883 19302 2114 1 3 . 1 1 99 99 GLN CA C 99 58.127 58.127 58.296 -0.169 19302 2115 1 3 . 1 1 99 99 GLN CB C 99 28.135 28.135 29.209 -1.074 19302 2116 1 3 . 1 1 99 99 GLN H H 99 8.464 8.464 7.742 0.722 19302 2117 1 3 . 1 1 100 100 TYR N N 100 118.538 118.538 114.049 4.489 19302 2118 1 3 . 1 1 100 100 TYR HA H 100 4.512 4.512 4.744 -0.232 19302 2119 1 3 . 1 1 100 100 TYR C C 100 176.132 176.132 176.394 -0.262 19302 2120 1 3 . 1 1 100 100 TYR CA C 100 58.029 58.029 57.111 0.918 19302 2121 1 3 . 1 1 100 100 TYR CB C 100 39.600 39.600 38.962 0.638 19302 2122 1 3 . 1 1 100 100 TYR H H 100 7.688 7.688 7.993 -0.305 19302 2123 1 3 . 1 1 101 101 PHE N N 101 121.713 121.713 123.676 -1.963 19302 2124 1 3 . 1 1 101 101 PHE HA H 101 4.098 4.098 4.426 -0.328 19302 2125 1 3 . 1 1 101 101 PHE C C 101 173.115 173.115 174.477 -1.362 19302 2126 1 3 . 1 1 101 101 PHE CA C 101 63.389 63.389 60.917 2.472 19302 2127 1 3 . 1 1 101 101 PHE CB C 101 37.438 37.438 36.362 1.075 19302 2128 1 3 . 1 1 101 101 PHE H H 101 7.916 7.916 9.141 -1.225 19302 2129 1 3 . 1 1 102 102 PRO HA H 102 4.078 4.078 3.423 0.655 19302 2130 1 3 . 1 1 102 102 PRO C C 102 179.371 179.371 178.305 1.066 19302 2131 1 3 . 1 1 102 102 PRO CA C 102 67.173 67.173 65.219 1.954 19302 2132 1 3 . 1 1 102 102 PRO CB C 102 30.497 30.497 30.481 0.016 19302 2133 1 3 . 1 1 103 103 ALA N N 103 119.259 119.259 119.789 -0.530 19302 2134 1 3 . 1 1 103 103 ALA HA H 103 4.043 4.043 4.108 -0.065 19302 2135 1 3 . 1 1 103 103 ALA C C 103 180.693 180.693 179.966 0.727 19302 2136 1 3 . 1 1 103 103 ALA CA C 103 54.322 54.322 54.895 -0.573 19302 2137 1 3 . 1 1 103 103 ALA CB C 103 18.420 18.420 18.274 0.146 19302 2138 1 3 . 1 1 103 103 ALA H H 103 8.030 8.030 8.306 -0.276 19302 2139 1 3 . 1 1 104 104 LEU N N 104 121.207 121.207 119.604 1.603 19302 2140 1 3 . 1 1 104 104 LEU HA H 104 4.164 4.164 4.158 0.006 19302 2141 1 3 . 1 1 104 104 LEU C C 104 179.295 179.295 178.287 1.008 19302 2142 1 3 . 1 1 104 104 LEU CA C 104 58.235 58.235 57.630 0.605 19302 2143 1 3 . 1 1 104 104 LEU CB C 104 41.154 41.154 42.196 -1.042 19302 2144 1 3 . 1 1 104 104 LEU H H 104 7.161 7.161 7.582 -0.421 19302 2145 1 3 . 1 1 105 105 GLN N N 105 123.941 123.941 120.008 3.933 19302 2146 1 3 . 1 1 105 105 GLN HA H 105 3.451 3.451 3.971 -0.520 19302 2147 1 3 . 1 1 105 105 GLN C C 105 176.984 176.984 178.498 -1.514 19302 2148 1 3 . 1 1 105 105 GLN CA C 105 59.986 59.986 59.089 0.897 19302 2149 1 3 . 1 1 105 105 GLN CB C 105 27.878 27.878 28.366 -0.488 19302 2150 1 3 . 1 1 105 105 GLN H H 105 8.836 8.836 8.005 0.831 19302 2151 1 3 . 1 1 106 106 LYS N N 106 119.943 119.943 119.427 0.516 19302 2152 1 3 . 1 1 106 106 LYS HA H 106 3.752 3.752 4.005 -0.253 19302 2153 1 3 . 1 1 106 106 LYS C C 106 177.834 177.834 178.672 -0.838 19302 2154 1 3 . 1 1 106 106 LYS CA C 106 60.337 60.337 59.700 0.637 19302 2155 1 3 . 1 1 106 106 LYS CB C 106 32.380 32.380 32.312 0.069 19302 2156 1 3 . 1 1 106 106 LYS H H 106 7.692 7.692 7.928 -0.236 19302 2157 1 3 . 1 1 107 107 PHE N N 107 117.769 117.769 118.524 -0.755 19302 2158 1 3 . 1 1 107 107 PHE HA H 107 4.378 4.378 4.227 0.151 19302 2159 1 3 . 1 1 107 107 PHE C C 107 176.089 176.089 177.970 -1.881 19302 2160 1 3 . 1 1 107 107 PHE CA C 107 60.327 60.327 62.320 -1.993 19302 2161 1 3 . 1 1 107 107 PHE CB C 107 40.477 40.477 38.924 1.553 19302 2162 1 3 . 1 1 107 107 PHE H H 107 7.514 7.514 7.773 -0.259 19302 2163 1 3 . 1 1 108 108 THR N N 108 112.966 112.966 115.005 -2.039 19302 2164 1 3 . 1 1 108 108 THR HA H 108 3.196 3.196 3.969 -0.773 19302 2165 1 3 . 1 1 108 108 THR C C 108 174.656 174.656 176.699 -2.043 19302 2166 1 3 . 1 1 108 108 THR CA C 108 67.885 67.885 66.546 1.339 19302 2167 1 3 . 1 1 108 108 THR CB C 108 69.292 69.292 67.947 1.345 19302 2168 1 3 . 1 1 108 108 THR H H 108 8.541 8.541 8.916 -0.375 19302 2169 1 3 . 1 1 109 109 VAL N N 109 118.515 118.515 122.101 -3.586 19302 2170 1 3 . 1 1 109 109 VAL HA H 109 3.953 3.953 3.728 0.225 19302 2171 1 3 . 1 1 109 109 VAL C C 109 178.009 178.009 178.253 -0.244 19302 2172 1 3 . 1 1 109 109 VAL CA C 109 65.110 65.110 66.722 -1.612 19302 2173 1 3 . 1 1 109 109 VAL CB C 109 32.327 32.327 31.434 0.893 19302 2174 1 3 . 1 1 109 109 VAL H H 109 8.065 8.065 7.881 0.184 19302 2175 1 3 . 1 1 110 110 LEU N N 110 118.627 118.627 120.098 -1.471 19302 2176 1 3 . 1 1 110 110 LEU HA H 110 4.157 4.157 3.966 0.191 19302 2177 1 3 . 1 1 110 110 LEU C C 110 178.351 178.351 178.644 -0.293 19302 2178 1 3 . 1 1 110 110 LEU CA C 110 57.133 57.133 57.838 -0.705 19302 2179 1 3 . 1 1 110 110 LEU CB C 110 40.985 40.985 40.748 0.236 19302 2180 1 3 . 1 1 110 110 LEU H H 110 7.224 7.224 8.263 -1.039 19302 2181 1 3 . 1 1 111 111 ASP N N 111 119.092 119.092 118.902 0.190 19302 2182 1 3 . 1 1 111 111 ASP HA H 111 4.325 4.325 4.601 -0.276 19302 2183 1 3 . 1 1 111 111 ASP C C 111 178.644 178.644 178.051 0.593 19302 2184 1 3 . 1 1 111 111 ASP CA C 111 57.243 57.243 57.436 -0.193 19302 2185 1 3 . 1 1 111 111 ASP CB C 111 39.330 39.330 42.155 -2.825 19302 2186 1 3 . 1 1 111 111 ASP H H 111 7.719 7.719 8.562 -0.843 19302 2187 1 3 . 1 1 112 112 LEU N N 112 114.990 114.990 117.104 -2.114 19302 2188 1 3 . 1 1 112 112 LEU HA H 112 4.044 4.044 4.484 -0.440 19302 2189 1 3 . 1 1 112 112 LEU C C 112 177.936 177.936 177.358 0.578 19302 2190 1 3 . 1 1 112 112 LEU CA C 112 55.507 55.507 54.350 1.157 19302 2191 1 3 . 1 1 112 112 LEU CB C 112 42.142 42.142 43.668 -1.526 19302 2192 1 3 . 1 1 112 112 LEU H H 112 7.306 7.306 8.441 -1.135 19302 2193 1 3 . 1 1 113 113 GLY N N 113 108.097 108.097 108.285 -0.188 19302 2194 1 3 . 1 1 113 113 GLY C C 113 175.161 175.161 174.937 0.224 19302 2195 1 3 . 1 1 113 113 GLY CA C 113 47.080 47.080 46.330 0.750 19302 2196 1 3 . 1 1 113 113 GLY H H 113 6.651 6.651 7.955 -1.304 19302 2197 1 3 . 1 1 114 114 MET N N 114 119.916 119.916 116.679 3.237 19302 2198 1 3 . 1 1 114 114 MET HA H 114 4.441 4.441 4.627 -0.186 19302 2199 1 3 . 1 1 114 114 MET C C 114 174.467 174.467 175.202 -0.735 19302 2200 1 3 . 1 1 114 114 MET CA C 114 55.303 55.303 55.539 -0.236 19302 2201 1 3 . 1 1 114 114 MET CB C 114 35.820 35.820 33.876 1.944 19302 2202 1 3 . 1 1 114 114 MET H H 114 8.107 8.107 7.446 0.661 19302 2203 1 3 . 1 1 115 115 VAL N N 115 120.592 120.592 120.815 -0.223 19302 2204 1 3 . 1 1 115 115 VAL HA H 115 3.723 3.723 4.423 -0.700 19302 2205 1 3 . 1 1 115 115 VAL C C 115 173.084 173.084 174.181 -1.097 19302 2206 1 3 . 1 1 115 115 VAL CA C 115 62.921 62.921 61.496 1.425 19302 2207 1 3 . 1 1 115 115 VAL CB C 115 33.192 33.192 32.981 0.211 19302 2208 1 3 . 1 1 115 115 VAL H H 115 7.414 7.414 8.106 -0.692 19302 2209 1 3 . 1 1 116 116 LEU N N 116 128.303 128.303 128.175 0.128 19302 2210 1 3 . 1 1 116 116 LEU HA H 116 5.176 5.176 4.971 0.205 19302 2211 1 3 . 1 1 116 116 LEU C C 116 175.304 175.304 176.363 -1.059 19302 2212 1 3 . 1 1 116 116 LEU CA C 116 53.335 53.335 53.967 -0.632 19302 2213 1 3 . 1 1 116 116 LEU CB C 116 45.512 45.512 43.753 1.759 19302 2214 1 3 . 1 1 116 116 LEU H H 116 7.872 7.872 8.627 -0.755 19302 2215 1 3 . 1 1 117 117 LEU N N 117 129.470 129.470 127.132 2.338 19302 2216 1 3 . 1 1 117 117 LEU HA H 117 4.922 4.922 4.859 0.063 19302 2217 1 3 . 1 1 117 117 LEU C C 117 173.512 173.512 174.797 -1.285 19302 2218 1 3 . 1 1 117 117 LEU CA C 117 51.061 51.061 51.982 -0.921 19302 2219 1 3 . 1 1 117 117 LEU CB C 117 43.824 43.824 43.459 0.365 19302 2220 1 3 . 1 1 117 117 LEU H H 117 9.331 9.331 8.287 1.044 19302 2221 1 3 . 1 1 118 118 PRO HA H 118 5.167 5.167 4.409 0.758 19302 2222 1 3 . 1 1 118 118 PRO C C 118 176.784 176.784 176.204 0.580 19302 2223 1 3 . 1 1 118 118 PRO CA C 118 61.019 61.019 62.786 -1.767 19302 2224 1 3 . 1 1 118 118 PRO CB C 118 32.806 32.806 32.155 0.651 19302 2225 1 3 . 1 1 119 119 VAL N N 119 114.345 114.345 117.672 -3.327 19302 2226 1 3 . 1 1 119 119 VAL HA H 119 4.507 4.507 4.381 0.126 19302 2227 1 3 . 1 1 119 119 VAL C C 119 174.881 174.881 175.185 -0.304 19302 2228 1 3 . 1 1 119 119 VAL CA C 119 59.150 59.150 60.282 -1.131 19302 2229 1 3 . 1 1 119 119 VAL CB C 119 36.847 36.847 32.998 3.849 19302 2230 1 3 . 1 1 119 119 VAL H H 119 8.775 8.775 8.246 0.529 19302 2231 1 3 . 1 1 120 120 ALA N N 120 121.458 121.458 116.801 4.657 19302 2232 1 3 . 1 1 120 120 ALA HA H 120 4.335 4.335 4.393 -0.058 19302 2233 1 3 . 1 1 120 120 ALA C C 120 177.637 177.637 175.295 2.342 19302 2234 1 3 . 1 1 120 120 ALA CA C 120 52.662 52.662 52.516 0.146 19302 2235 1 3 . 1 1 120 120 ALA CB C 120 19.817 19.817 19.775 0.042 19302 2236 1 3 . 1 1 120 120 ALA H H 120 8.740 8.740 8.326 0.414 19302 2237 1 3 . 1 1 121 121 SER N N 121 106.201 106.201 112.525 -6.324 19302 2238 1 3 . 1 1 121 121 SER HA H 121 4.523 4.523 4.771 -0.248 19302 2239 1 3 . 1 1 121 121 SER C C 121 173.940 173.940 175.044 -1.104 19302 2240 1 3 . 1 1 121 121 SER CA C 121 56.668 56.668 57.641 -0.973 19302 2241 1 3 . 1 1 121 121 SER CB C 121 66.057 66.057 65.761 0.296 19302 2242 1 3 . 1 1 121 121 SER H H 121 7.147 7.147 7.831 -0.684 19302 2243 1 3 . 1 1 122 122 GLN N N 122 120.942 120.942 120.916 0.026 19302 2244 1 3 . 1 1 122 122 GLN HA H 122 4.063 4.063 3.969 0.094 19302 2245 1 3 . 1 1 122 122 GLN C C 122 178.350 178.350 177.553 0.797 19302 2246 1 3 . 1 1 122 122 GLN CA C 122 59.436 59.436 58.941 0.495 19302 2247 1 3 . 1 1 122 122 GLN CB C 122 29.018 29.018 28.189 0.829 19302 2248 1 3 . 1 1 122 122 GLN H H 122 9.055 9.055 9.009 0.046 19302 2249 1 3 . 1 1 123 123 MET N N 123 118.978 118.978 119.062 -0.084 19302 2250 1 3 . 1 1 123 123 MET HA H 123 3.947 3.947 4.087 -0.140 19302 2251 1 3 . 1 1 123 123 MET C C 123 179.161 179.161 178.093 1.068 19302 2252 1 3 . 1 1 123 123 MET CA C 123 58.802 58.802 59.301 -0.499 19302 2253 1 3 . 1 1 123 123 MET CB C 123 31.305 31.305 31.736 -0.431 19302 2254 1 3 . 1 1 123 123 MET H H 123 7.950 7.950 8.201 -0.251 19302 2255 1 3 . 1 1 124 124 GLU N N 124 121.747 121.747 119.226 2.521 19302 2256 1 3 . 1 1 124 124 GLU HA H 124 3.897 3.897 3.901 -0.004 19302 2257 1 3 . 1 1 124 124 GLU C C 124 179.272 179.272 178.647 0.625 19302 2258 1 3 . 1 1 124 124 GLU CA C 124 59.686 59.686 59.682 0.004 19302 2259 1 3 . 1 1 124 124 GLU CB C 124 29.943 29.943 28.886 1.057 19302 2260 1 3 . 1 1 124 124 GLU H H 124 7.729 7.729 8.140 -0.411 19302 2261 1 3 . 1 1 125 125 ALA N N 125 121.208 121.208 122.658 -1.450 19302 2262 1 3 . 1 1 125 125 ALA HA H 125 3.827 3.827 3.951 -0.124 19302 2263 1 3 . 1 1 125 125 ALA C C 125 178.068 178.068 179.653 -1.585 19302 2264 1 3 . 1 1 125 125 ALA CA C 125 54.330 54.330 55.424 -1.094 19302 2265 1 3 . 1 1 125 125 ALA CB C 125 19.232 19.232 18.366 0.866 19302 2266 1 3 . 1 1 125 125 ALA H H 125 8.083 8.083 7.687 0.396 19302 2267 1 3 . 1 1 126 126 SER N N 126 114.095 114.095 115.167 -1.072 19302 2268 1 3 . 1 1 126 126 SER HA H 126 3.527 3.527 3.944 -0.417 19302 2269 1 3 . 1 1 126 126 SER C C 126 175.129 175.129 176.878 -1.749 19302 2270 1 3 . 1 1 126 126 SER CA C 126 62.161 62.161 61.975 0.186 19302 2271 1 3 . 1 1 126 126 SER CB C 126 69.705 69.705 62.816 6.888 19302 2272 1 3 . 1 1 126 126 SER H H 126 7.975 7.975 7.948 0.027 19302 2273 1 3 . 1 1 127 127 CYS N N 127 119.210 119.210 120.143 -0.933 19302 2274 1 3 . 1 1 127 127 CYS HA H 127 3.819 3.819 4.225 -0.406 19302 2275 1 3 . 1 1 127 127 CYS C C 127 177.016 177.016 176.488 0.528 19302 2276 1 3 . 1 1 127 127 CYS CA C 127 62.351 62.351 62.549 -0.198 19302 2277 1 3 . 1 1 127 127 CYS CB C 127 26.714 26.714 27.454 -0.740 19302 2278 1 3 . 1 1 127 127 CYS H H 127 6.869 6.869 8.394 -1.525 19302 2279 1 3 . 1 1 128 128 LEU N N 128 122.342 122.342 122.720 -0.378 19302 2280 1 3 . 1 1 128 128 LEU HA H 128 3.947 3.947 3.998 -0.051 19302 2281 1 3 . 1 1 128 128 LEU C C 128 178.010 178.010 178.693 -0.683 19302 2282 1 3 . 1 1 128 128 LEU CA C 128 57.860 57.860 58.254 -0.394 19302 2283 1 3 . 1 1 128 128 LEU CB C 128 41.951 41.951 42.357 -0.406 19302 2284 1 3 . 1 1 128 128 LEU H H 128 7.527 7.527 8.565 -1.038 19302 2285 1 3 . 1 1 129 129 VAL N N 129 119.021 119.021 118.988 0.033 19302 2286 1 3 . 1 1 129 129 VAL HA H 129 3.035 3.035 3.486 -0.451 19302 2287 1 3 . 1 1 129 129 VAL C C 129 177.035 177.035 177.957 -0.922 19302 2288 1 3 . 1 1 129 129 VAL CA C 129 67.656 67.656 66.722 0.934 19302 2289 1 3 . 1 1 129 129 VAL CB C 129 30.898 30.898 31.511 -0.612 19302 2290 1 3 . 1 1 129 129 VAL H H 129 8.360 8.360 8.713 -0.353 19302 2291 1 3 . 1 1 130 130 ILE N N 130 117.913 117.913 118.574 -0.661 19302 2292 1 3 . 1 1 130 130 ILE HA H 130 3.292 3.292 3.536 -0.244 19302 2293 1 3 . 1 1 130 130 ILE C C 130 177.834 177.834 178.050 -0.216 19302 2294 1 3 . 1 1 130 130 ILE CA C 130 64.592 64.592 64.485 0.107 19302 2295 1 3 . 1 1 130 130 ILE CB C 130 36.970 36.970 37.069 -0.099 19302 2296 1 3 . 1 1 130 130 ILE H H 130 7.331 7.331 7.271 0.059 19302 2297 1 3 . 1 1 131 131 GLN N N 131 120.359 120.359 119.378 0.981 19302 2298 1 3 . 1 1 131 131 GLN HA H 131 3.846 3.846 3.918 -0.072 19302 2299 1 3 . 1 1 131 131 GLN C C 131 178.708 178.708 178.391 0.317 19302 2300 1 3 . 1 1 131 131 GLN CA C 131 59.310 59.310 59.233 0.077 19302 2301 1 3 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.355 -0.253 19302 2302 1 3 . 1 1 131 131 GLN H H 131 7.505 7.505 7.816 -0.311 19302 2303 1 3 . 1 1 132 132 LEU N N 132 120.310 120.310 119.286 1.024 19302 2304 1 3 . 1 1 132 132 LEU HA H 132 3.848 3.848 3.915 -0.067 19302 2305 1 3 . 1 1 132 132 LEU C C 132 179.854 179.854 178.712 1.142 19302 2306 1 3 . 1 1 132 132 LEU CA C 132 57.975 57.975 58.559 -0.584 19302 2307 1 3 . 1 1 132 132 LEU CB C 132 41.902 41.902 41.852 0.050 19302 2308 1 3 . 1 1 132 132 LEU H H 132 8.270 8.270 7.905 0.365 19302 2309 1 3 . 1 1 133 133 VAL N N 133 120.909 120.909 117.919 2.990 19302 2310 1 3 . 1 1 133 133 VAL HA H 133 4.004 4.004 3.599 0.405 19302 2311 1 3 . 1 1 133 133 VAL C C 133 178.791 178.791 178.117 0.674 19302 2312 1 3 . 1 1 133 133 VAL CA C 133 58.026 58.026 66.158 -8.132 19302 2313 1 3 . 1 1 133 133 VAL CB C 133 32.475 32.475 31.079 1.395 19302 2314 1 3 . 1 1 133 133 VAL H H 133 8.162 8.162 7.446 0.716 19302 2315 1 3 . 1 1 134 134 GLN N N 134 120.073 120.073 120.501 -0.428 19302 2316 1 3 . 1 1 134 134 GLN HA H 134 3.943 3.943 3.894 0.049 19302 2317 1 3 . 1 1 134 134 GLN C C 134 178.374 178.374 178.672 -0.298 19302 2318 1 3 . 1 1 134 134 GLN CA C 134 57.164 57.164 59.323 -2.159 19302 2319 1 3 . 1 1 134 134 GLN CB C 134 29.632 29.632 28.505 1.127 19302 2320 1 3 . 1 1 134 134 GLN H H 134 7.837 7.837 8.348 -0.511 19302 2321 1 3 . 1 1 135 135 GLU N N 135 118.639 118.639 117.238 1.401 19302 2322 1 3 . 1 1 135 135 GLU HA H 135 3.902 3.902 4.145 -0.243 19302 2323 1 3 . 1 1 135 135 GLU C C 135 177.986 177.986 178.339 -0.353 19302 2324 1 3 . 1 1 135 135 GLU CA C 135 58.266 58.266 58.792 -0.526 19302 2325 1 3 . 1 1 135 135 GLU CB C 135 29.593 29.593 29.399 0.194 19302 2326 1 3 . 1 1 135 135 GLU H H 135 7.989 7.989 8.548 -0.559 19302 2327 1 3 . 1 1 136 136 GLN N N 136 118.352 118.352 117.630 0.722 19302 2328 1 3 . 1 1 136 136 GLN HA H 136 3.994 3.994 4.229 -0.235 19302 2329 1 3 . 1 1 136 136 GLN C C 136 176.807 176.807 178.331 -1.524 19302 2330 1 3 . 1 1 136 136 GLN CA C 136 56.762 56.762 58.234 -1.472 19302 2331 1 3 . 1 1 136 136 GLN CB C 136 28.835 28.835 29.613 -0.778 19302 2332 1 3 . 1 1 136 136 GLN H H 136 7.845 7.845 7.756 0.089 19302 2333 1 3 . 1 1 137 137 THR N N 137 113.953 113.953 114.177 -0.224 19302 2334 1 3 . 1 1 137 137 THR HA H 137 4.163 4.163 4.109 0.054 19302 2335 1 3 . 1 1 137 137 THR C C 137 174.267 174.267 175.614 -1.347 19302 2336 1 3 . 1 1 137 137 THR CA C 137 64.611 64.611 65.590 -0.979 19302 2337 1 3 . 1 1 137 137 THR CB C 137 69.280 69.280 68.868 0.412 19302 2338 1 3 . 1 1 137 137 THR H H 137 7.847 7.847 8.476 -0.629 19302 2339 1 3 . 1 1 138 138 LYS N N 138 122.289 122.289 121.465 0.824 19302 2340 1 3 . 1 1 138 138 LYS C C 138 176.119 176.119 175.373 0.746 19302 2341 1 3 . 1 1 138 138 LYS CA C 138 56.329 56.329 55.064 1.265 19302 2342 1 3 . 1 1 138 138 LYS CB C 138 32.891 32.891 32.765 0.126 19302 2343 1 3 . 1 1 138 138 LYS H H 138 7.607 7.607 7.635 -0.028 19302 2344 1 4 . 1 1 2 2 GLU N N 2 123.078 123.078 120.672 2.406 19302 2345 1 4 . 1 1 2 2 GLU HA H 2 4.160 4.160 4.586 -0.426 19302 2346 1 4 . 1 1 2 2 GLU C C 2 175.765 175.765 174.702 1.063 19302 2347 1 4 . 1 1 2 2 GLU CA C 2 56.353 56.353 56.361 -0.008 19302 2348 1 4 . 1 1 2 2 GLU CB C 2 30.041 30.041 32.575 -2.534 19302 2349 1 4 . 1 1 2 2 GLU H H 2 8.313 8.313 8.885 -0.572 19302 2350 1 4 . 1 1 3 3 LYS N N 3 124.091 124.091 123.300 0.791 19302 2351 1 4 . 1 1 3 3 LYS HA H 3 4.013 4.013 4.395 -0.382 19302 2352 1 4 . 1 1 3 3 LYS C C 3 174.713 174.713 176.213 -1.500 19302 2353 1 4 . 1 1 3 3 LYS CA C 3 56.240 56.240 56.602 -0.362 19302 2354 1 4 . 1 1 3 3 LYS CB C 3 33.400 33.400 32.818 0.582 19302 2355 1 4 . 1 1 3 3 LYS H H 3 8.243 8.243 8.238 0.005 19302 2356 1 4 . 1 1 4 4 ASN N N 4 121.184 121.184 116.293 4.891 19302 2357 1 4 . 1 1 4 4 ASN C C 4 172.940 172.940 173.001 -0.061 19302 2358 1 4 . 1 1 4 4 ASN CA C 4 50.404 50.404 52.159 -1.755 19302 2359 1 4 . 1 1 4 4 ASN CB C 4 41.212 41.212 38.435 2.777 19302 2360 1 4 . 1 1 4 4 ASN H H 4 8.086 8.086 8.039 0.047 19302 2361 1 4 . 1 1 6 6 PRO HA H 6 4.222 4.222 4.364 -0.142 19302 2362 1 4 . 1 1 6 6 PRO C C 6 176.390 176.390 176.212 0.178 19302 2363 1 4 . 1 1 6 6 PRO CA C 6 63.267 63.267 63.830 -0.563 19302 2364 1 4 . 1 1 6 6 PRO CB C 6 32.008 32.008 31.951 0.057 19302 2365 1 4 . 1 1 7 7 ASP N N 7 120.412 120.412 123.278 -2.866 19302 2366 1 4 . 1 1 7 7 ASP HA H 7 4.402 4.402 4.568 -0.166 19302 2367 1 4 . 1 1 7 7 ASP C C 7 175.911 175.911 175.096 0.815 19302 2368 1 4 . 1 1 7 7 ASP CA C 7 54.248 54.248 53.490 0.758 19302 2369 1 4 . 1 1 7 7 ASP CB C 7 41.210 41.210 41.131 0.079 19302 2370 1 4 . 1 1 7 7 ASP H H 7 8.175 8.175 8.067 0.108 19302 2371 1 4 . 1 1 8 8 ASP N N 8 121.448 121.448 119.485 1.963 19302 2372 1 4 . 1 1 8 8 ASP HA H 8 4.554 4.554 4.374 0.180 19302 2373 1 4 . 1 1 8 8 ASP C C 8 176.334 176.334 176.238 0.096 19302 2374 1 4 . 1 1 8 8 ASP CA C 8 54.240 54.240 54.991 -0.751 19302 2375 1 4 . 1 1 8 8 ASP CB C 8 41.354 41.354 39.596 1.758 19302 2376 1 4 . 1 1 8 8 ASP H H 8 8.080 8.080 8.587 -0.507 19302 2377 1 4 . 1 1 9 9 THR N N 9 114.376 114.376 114.889 -0.513 19302 2378 1 4 . 1 1 9 9 THR HA H 9 4.170 4.170 4.449 -0.279 19302 2379 1 4 . 1 1 9 9 THR C C 9 174.565 174.565 175.258 -0.693 19302 2380 1 4 . 1 1 9 9 THR CA C 9 62.018 62.018 62.267 -0.249 19302 2381 1 4 . 1 1 9 9 THR CB C 9 69.655 69.655 69.293 0.362 19302 2382 1 4 . 1 1 9 9 THR H H 9 7.982 7.982 8.461 -0.479 19302 2383 1 4 . 1 1 10 10 GLY N N 10 111.726 111.726 110.009 1.717 19302 2384 1 4 . 1 1 10 10 GLY C C 10 171.287 171.287 172.469 -1.182 19302 2385 1 4 . 1 1 10 10 GLY CA C 10 44.627 44.627 45.343 -0.716 19302 2386 1 4 . 1 1 10 10 GLY H H 10 8.051 8.051 7.994 0.057 19302 2387 1 4 . 1 1 11 11 PRO HA H 11 4.298 4.298 4.692 -0.394 19302 2388 1 4 . 1 1 11 11 PRO C C 11 176.417 176.417 176.981 -0.564 19302 2389 1 4 . 1 1 11 11 PRO CA C 11 63.173 63.173 62.801 0.372 19302 2390 1 4 . 1 1 11 11 PRO CB C 11 32.419 32.419 32.242 0.176 19302 2391 1 4 . 1 1 12 12 VAL N N 12 120.990 120.990 122.781 -1.791 19302 2392 1 4 . 1 1 12 12 VAL HA H 12 3.757 3.757 4.021 -0.264 19302 2393 1 4 . 1 1 12 12 VAL C C 12 174.604 174.604 176.174 -1.570 19302 2394 1 4 . 1 1 12 12 VAL CA C 12 61.747 61.747 64.349 -2.602 19302 2395 1 4 . 1 1 12 12 VAL CB C 12 33.506 33.506 32.347 1.159 19302 2396 1 4 . 1 1 12 12 VAL H H 12 7.667 7.667 8.719 -1.052 19302 2397 1 4 . 1 1 13 13 HIS N N 13 123.020 123.020 114.952 8.068 19302 2398 1 4 . 1 1 13 13 HIS HA H 13 4.387 4.387 4.583 -0.196 19302 2399 1 4 . 1 1 13 13 HIS C C 13 173.601 173.601 174.167 -0.566 19302 2400 1 4 . 1 1 13 13 HIS CA C 13 55.731 55.731 54.180 1.551 19302 2401 1 4 . 1 1 13 13 HIS CB C 13 30.039 30.039 29.384 0.655 19302 2402 1 4 . 1 1 13 13 HIS H H 13 8.088 8.088 8.320 -0.232 19302 2403 1 4 . 1 1 14 14 VAL N N 14 126.633 126.633 119.227 7.406 19302 2404 1 4 . 1 1 14 14 VAL HA H 14 3.941 3.941 3.681 0.260 19302 2405 1 4 . 1 1 14 14 VAL C C 14 173.591 173.591 174.449 -0.858 19302 2406 1 4 . 1 1 14 14 VAL CA C 14 59.095 59.095 62.475 -3.380 19302 2407 1 4 . 1 1 14 14 VAL CB C 14 32.976 32.976 30.692 2.284 19302 2408 1 4 . 1 1 14 14 VAL H H 14 8.128 8.128 7.959 0.169 19302 2409 1 4 . 1 1 15 15 PRO HA H 15 4.042 4.042 4.319 -0.277 19302 2410 1 4 . 1 1 15 15 PRO C C 15 175.581 175.581 177.790 -2.209 19302 2411 1 4 . 1 1 15 15 PRO CA C 15 62.314 62.314 63.535 -1.221 19302 2412 1 4 . 1 1 15 15 PRO CB C 15 31.352 31.352 32.285 -0.933 19302 2413 1 4 . 1 1 16 16 LEU N N 16 122.170 122.170 119.165 3.005 19302 2414 1 4 . 1 1 16 16 LEU HA H 16 4.073 4.073 4.157 -0.084 19302 2415 1 4 . 1 1 16 16 LEU C C 16 180.683 180.683 176.692 3.991 19302 2416 1 4 . 1 1 16 16 LEU CA C 16 56.442 56.442 55.503 0.939 19302 2417 1 4 . 1 1 16 16 LEU CB C 16 41.855 41.855 39.961 1.894 19302 2418 1 4 . 1 1 16 16 LEU H H 16 8.070 8.070 7.978 0.092 19302 2419 1 4 . 1 1 17 17 GLY N N 17 114.931 114.931 104.904 10.027 19302 2420 1 4 . 1 1 17 17 GLY C C 17 173.075 173.075 173.779 -0.704 19302 2421 1 4 . 1 1 17 17 GLY CA C 17 45.757 45.757 44.823 0.934 19302 2422 1 4 . 1 1 17 17 GLY H H 17 9.325 9.325 7.710 1.615 19302 2423 1 4 . 1 1 18 18 HIS N N 18 117.638 117.638 119.111 -1.473 19302 2424 1 4 . 1 1 18 18 HIS HA H 18 5.386 5.386 4.463 0.923 19302 2425 1 4 . 1 1 18 18 HIS C C 18 173.186 173.186 173.893 -0.707 19302 2426 1 4 . 1 1 18 18 HIS CA C 18 54.007 54.007 55.588 -1.581 19302 2427 1 4 . 1 1 18 18 HIS CB C 18 31.691 31.691 30.784 0.907 19302 2428 1 4 . 1 1 18 18 HIS H H 18 7.803 7.803 8.032 -0.229 19302 2429 1 4 . 1 1 19 19 ILE N N 19 114.669 114.669 119.165 -4.496 19302 2430 1 4 . 1 1 19 19 ILE HA H 19 4.372 4.372 4.301 0.071 19302 2431 1 4 . 1 1 19 19 ILE C C 19 174.449 174.449 174.945 -0.496 19302 2432 1 4 . 1 1 19 19 ILE CA C 19 60.368 60.368 60.071 0.297 19302 2433 1 4 . 1 1 19 19 ILE CB C 19 42.044 42.044 42.103 -0.059 19302 2434 1 4 . 1 1 19 19 ILE H H 19 8.059 8.059 7.815 0.244 19302 2435 1 4 . 1 1 20 20 VAL N N 20 124.211 124.211 122.921 1.290 19302 2436 1 4 . 1 1 20 20 VAL HA H 20 4.730 4.730 4.787 -0.057 19302 2437 1 4 . 1 1 20 20 VAL C C 20 174.104 174.104 174.473 -0.369 19302 2438 1 4 . 1 1 20 20 VAL CA C 20 61.322 61.322 60.514 0.807 19302 2439 1 4 . 1 1 20 20 VAL CB C 20 33.255 33.255 34.339 -1.084 19302 2440 1 4 . 1 1 20 20 VAL H H 20 7.525 7.525 8.066 -0.541 19302 2441 1 4 . 1 1 21 21 ALA N N 21 131.125 131.125 126.037 5.088 19302 2442 1 4 . 1 1 21 21 ALA HA H 21 5.095 5.095 5.243 -0.148 19302 2443 1 4 . 1 1 21 21 ALA C C 21 175.389 175.389 175.643 -0.254 19302 2444 1 4 . 1 1 21 21 ALA CA C 21 49.175 49.175 49.680 -0.505 19302 2445 1 4 . 1 1 21 21 ALA CB C 21 24.297 24.297 23.110 1.187 19302 2446 1 4 . 1 1 21 21 ALA H H 21 9.395 9.395 8.953 0.442 19302 2447 1 4 . 1 1 22 22 ASN N N 22 120.999 120.999 121.157 -0.158 19302 2448 1 4 . 1 1 22 22 ASN HA H 22 4.805 4.805 5.033 -0.228 19302 2449 1 4 . 1 1 22 22 ASN C C 22 176.336 176.336 176.801 -0.465 19302 2450 1 4 . 1 1 22 22 ASN CA C 22 54.289 54.289 52.147 2.142 19302 2451 1 4 . 1 1 22 22 ASN CB C 22 39.822 39.822 39.854 -0.032 19302 2452 1 4 . 1 1 22 22 ASN H H 22 8.345 8.345 8.178 0.167 19302 2453 1 4 . 1 1 23 23 GLU N N 23 128.726 128.726 127.191 1.535 19302 2454 1 4 . 1 1 23 23 GLU HA H 23 3.927 3.927 3.964 -0.037 19302 2455 1 4 . 1 1 23 23 GLU C C 23 176.348 176.348 177.641 -1.293 19302 2456 1 4 . 1 1 23 23 GLU CA C 23 59.171 59.171 59.880 -0.709 19302 2457 1 4 . 1 1 23 23 GLU CB C 23 30.365 30.365 29.790 0.575 19302 2458 1 4 . 1 1 23 23 GLU H H 23 7.951 7.951 8.197 -0.246 19302 2459 1 4 . 1 1 24 24 LYS N N 24 119.166 119.166 117.785 1.381 19302 2460 1 4 . 1 1 24 24 LYS HA H 24 3.895 3.895 4.228 -0.333 19302 2461 1 4 . 1 1 24 24 LYS C C 24 176.782 176.782 179.008 -2.226 19302 2462 1 4 . 1 1 24 24 LYS CA C 24 58.379 58.379 58.585 -0.206 19302 2463 1 4 . 1 1 24 24 LYS CB C 24 30.846 30.846 32.700 -1.854 19302 2464 1 4 . 1 1 24 24 LYS H H 24 8.583 8.583 8.256 0.327 19302 2465 1 4 . 1 1 25 25 TRP N N 25 118.053 118.053 122.334 -4.281 19302 2466 1 4 . 1 1 25 25 TRP HA H 25 4.326 4.326 4.533 -0.207 19302 2467 1 4 . 1 1 25 25 TRP C C 25 177.280 177.280 176.695 0.585 19302 2468 1 4 . 1 1 25 25 TRP CA C 25 56.722 56.722 58.695 -1.973 19302 2469 1 4 . 1 1 25 25 TRP CB C 25 29.506 29.506 29.538 -0.032 19302 2470 1 4 . 1 1 25 25 TRP H H 25 8.169 8.169 8.220 -0.051 19302 2471 1 4 . 1 1 26 26 ARG N N 26 127.838 127.838 119.731 8.107 19302 2472 1 4 . 1 1 26 26 ARG HA H 26 3.302 3.302 4.159 -0.857 19302 2473 1 4 . 1 1 26 26 ARG C C 26 177.506 177.506 177.852 -0.346 19302 2474 1 4 . 1 1 26 26 ARG CA C 26 59.147 59.147 57.868 1.279 19302 2475 1 4 . 1 1 26 26 ARG CB C 26 29.305 29.305 29.675 -0.370 19302 2476 1 4 . 1 1 26 26 ARG H H 26 7.879 7.879 7.569 0.310 19302 2477 1 4 . 1 1 27 27 GLY N N 27 116.455 116.455 108.930 7.525 19302 2478 1 4 . 1 1 27 27 GLY C C 27 174.037 174.037 173.293 0.744 19302 2479 1 4 . 1 1 27 27 GLY CA C 27 45.513 45.513 44.984 0.529 19302 2480 1 4 . 1 1 27 27 GLY H H 27 8.968 8.968 7.576 1.392 19302 2481 1 4 . 1 1 28 28 SER N N 28 115.316 115.316 114.610 0.706 19302 2482 1 4 . 1 1 28 28 SER HA H 28 4.357 4.357 4.421 -0.064 19302 2483 1 4 . 1 1 28 28 SER C C 28 174.705 174.705 174.542 0.163 19302 2484 1 4 . 1 1 28 28 SER CA C 28 58.055 58.055 56.628 1.427 19302 2485 1 4 . 1 1 28 28 SER CB C 28 65.852 65.852 65.598 0.254 19302 2486 1 4 . 1 1 28 28 SER H H 28 7.718 7.718 7.066 0.652 19302 2487 1 4 . 1 1 29 29 GLN N N 29 124.252 124.252 124.951 -0.699 19302 2488 1 4 . 1 1 29 29 GLN HA H 29 3.940 3.940 4.003 -0.063 19302 2489 1 4 . 1 1 29 29 GLN C C 29 178.221 178.221 177.368 0.853 19302 2490 1 4 . 1 1 29 29 GLN CA C 29 59.678 59.678 58.546 1.132 19302 2491 1 4 . 1 1 29 29 GLN CB C 29 27.932 27.932 28.600 -0.668 19302 2492 1 4 . 1 1 29 29 GLN H H 29 8.987 8.987 8.870 0.117 19302 2493 1 4 . 1 1 30 30 LEU N N 30 119.516 119.516 120.469 -0.953 19302 2494 1 4 . 1 1 30 30 LEU HA H 30 3.649 3.649 4.098 -0.449 19302 2495 1 4 . 1 1 30 30 LEU C C 30 177.674 177.674 177.850 -0.176 19302 2496 1 4 . 1 1 30 30 LEU CA C 30 59.240 59.240 58.075 1.165 19302 2497 1 4 . 1 1 30 30 LEU CB C 30 42.377 42.377 41.237 1.140 19302 2498 1 4 . 1 1 30 30 LEU H H 30 8.469 8.469 7.958 0.511 19302 2499 1 4 . 1 1 31 31 ALA N N 31 118.887 118.887 119.932 -1.045 19302 2500 1 4 . 1 1 31 31 ALA HA H 31 3.787 3.787 4.224 -0.437 19302 2501 1 4 . 1 1 31 31 ALA C C 31 179.914 179.914 179.751 0.163 19302 2502 1 4 . 1 1 31 31 ALA CA C 31 55.346 55.346 55.301 0.045 19302 2503 1 4 . 1 1 31 31 ALA CB C 31 18.725 18.725 18.015 0.710 19302 2504 1 4 . 1 1 31 31 ALA H H 31 7.965 7.965 7.932 0.033 19302 2505 1 4 . 1 1 32 32 GLN N N 32 119.187 119.187 115.647 3.540 19302 2506 1 4 . 1 1 32 32 GLN HA H 32 3.874 3.874 4.230 -0.356 19302 2507 1 4 . 1 1 32 32 GLN C C 32 179.160 179.160 177.182 1.978 19302 2508 1 4 . 1 1 32 32 GLN CA C 32 59.072 59.072 58.080 0.992 19302 2509 1 4 . 1 1 32 32 GLN CB C 32 28.676 28.676 28.839 -0.163 19302 2510 1 4 . 1 1 32 32 GLN H H 32 8.292 8.292 7.899 0.393 19302 2511 1 4 . 1 1 33 33 GLU N N 33 117.845 117.845 119.205 -1.360 19302 2512 1 4 . 1 1 33 33 GLU HA H 33 3.932 3.932 4.088 -0.156 19302 2513 1 4 . 1 1 33 33 GLU C C 33 178.487 178.487 179.129 -0.642 19302 2514 1 4 . 1 1 33 33 GLU CA C 33 57.948 57.948 58.819 -0.871 19302 2515 1 4 . 1 1 33 33 GLU CB C 33 29.221 29.221 29.711 -0.490 19302 2516 1 4 . 1 1 33 33 GLU H H 33 8.157 8.157 7.984 0.173 19302 2517 1 4 . 1 1 34 34 MET N N 34 116.546 116.546 118.356 -1.810 19302 2518 1 4 . 1 1 34 34 MET HA H 34 3.911 3.911 4.089 -0.178 19302 2519 1 4 . 1 1 34 34 MET C C 34 176.992 176.992 177.761 -0.769 19302 2520 1 4 . 1 1 34 34 MET CA C 34 58.485 58.485 59.138 -0.653 19302 2521 1 4 . 1 1 34 34 MET CB C 34 34.045 34.045 32.470 1.575 19302 2522 1 4 . 1 1 34 34 MET H H 34 7.452 7.452 7.775 -0.323 19302 2523 1 4 . 1 1 35 35 GLN N N 35 118.259 118.259 117.959 0.300 19302 2524 1 4 . 1 1 35 35 GLN HA H 35 4.219 4.219 4.509 -0.290 19302 2525 1 4 . 1 1 35 35 GLN C C 35 176.544 176.544 177.875 -1.331 19302 2526 1 4 . 1 1 35 35 GLN CA C 35 58.039 58.039 57.409 0.630 19302 2527 1 4 . 1 1 35 35 GLN CB C 35 28.381 28.381 28.856 -0.475 19302 2528 1 4 . 1 1 35 35 GLN H H 35 7.605 7.605 8.002 -0.397 19302 2529 1 4 . 1 1 36 36 GLY N N 36 110.354 110.354 105.327 5.027 19302 2530 1 4 . 1 1 36 36 GLY C C 36 174.291 174.291 174.469 -0.178 19302 2531 1 4 . 1 1 36 36 GLY CA C 36 45.517 45.517 45.418 0.099 19302 2532 1 4 . 1 1 36 36 GLY H H 36 8.178 8.178 8.279 -0.101 19302 2533 1 4 . 1 1 37 37 LYS N N 37 119.406 119.406 118.386 1.020 19302 2534 1 4 . 1 1 37 37 LYS HA H 37 4.254 4.254 4.665 -0.411 19302 2535 1 4 . 1 1 37 37 LYS C C 37 175.387 175.387 176.239 -0.852 19302 2536 1 4 . 1 1 37 37 LYS CA C 37 57.173 57.173 56.472 0.701 19302 2537 1 4 . 1 1 37 37 LYS CB C 37 35.261 35.261 36.097 -0.836 19302 2538 1 4 . 1 1 37 37 LYS H H 37 7.837 7.837 7.566 0.271 19302 2539 1 4 . 1 1 38 38 ILE N N 38 118.201 118.201 120.930 -2.729 19302 2540 1 4 . 1 1 38 38 ILE HA H 38 4.138 4.138 4.493 -0.355 19302 2541 1 4 . 1 1 38 38 ILE C C 38 172.937 172.937 173.925 -0.988 19302 2542 1 4 . 1 1 38 38 ILE CA C 38 59.055 59.055 58.984 0.070 19302 2543 1 4 . 1 1 38 38 ILE CB C 38 41.631 41.631 41.785 -0.154 19302 2544 1 4 . 1 1 38 38 ILE H H 38 7.821 7.821 8.383 -0.562 19302 2545 1 4 . 1 1 39 39 LYS N N 39 122.826 122.826 124.218 -1.392 19302 2546 1 4 . 1 1 39 39 LYS HA H 39 4.187 4.187 4.366 -0.179 19302 2547 1 4 . 1 1 39 39 LYS C C 39 174.751 174.751 175.198 -0.447 19302 2548 1 4 . 1 1 39 39 LYS CA C 39 55.865 55.865 55.561 0.304 19302 2549 1 4 . 1 1 39 39 LYS CB C 39 33.007 33.007 32.074 0.933 19302 2550 1 4 . 1 1 39 39 LYS H H 39 7.126 7.126 8.495 -1.369 19302 2551 1 4 . 1 1 40 40 LEU N N 40 124.298 124.298 127.607 -3.309 19302 2552 1 4 . 1 1 40 40 LEU HA H 40 4.667 4.667 4.930 -0.263 19302 2553 1 4 . 1 1 40 40 LEU C C 40 176.473 176.473 176.467 0.006 19302 2554 1 4 . 1 1 40 40 LEU CA C 40 54.607 54.607 53.886 0.721 19302 2555 1 4 . 1 1 40 40 LEU CB C 40 44.102 44.102 43.226 0.876 19302 2556 1 4 . 1 1 40 40 LEU H H 40 8.102 8.102 8.242 -0.140 19302 2557 1 4 . 1 1 41 41 ILE N N 41 124.128 124.128 124.682 -0.554 19302 2558 1 4 . 1 1 41 41 ILE HA H 41 4.092 4.092 4.143 -0.051 19302 2559 1 4 . 1 1 41 41 ILE C C 41 174.360 174.360 174.974 -0.614 19302 2560 1 4 . 1 1 41 41 ILE CA C 41 60.208 60.208 59.575 0.633 19302 2561 1 4 . 1 1 41 41 ILE CB C 41 40.867 40.867 37.964 2.903 19302 2562 1 4 . 1 1 41 41 ILE H H 41 8.208 8.208 8.745 -0.537 19302 2563 1 4 . 1 1 42 42 PHE N N 42 125.226 125.226 128.142 -2.916 19302 2564 1 4 . 1 1 42 42 PHE HA H 42 5.501 5.501 5.034 0.467 19302 2565 1 4 . 1 1 42 42 PHE C C 42 176.313 176.313 176.397 -0.084 19302 2566 1 4 . 1 1 42 42 PHE CA C 42 57.720 57.720 57.722 -0.002 19302 2567 1 4 . 1 1 42 42 PHE CB C 42 41.630 41.630 39.150 2.480 19302 2568 1 4 . 1 1 42 42 PHE H H 42 8.636 8.636 8.771 -0.135 19302 2569 1 4 . 1 1 43 43 GLU N N 43 121.397 121.397 126.151 -4.754 19302 2570 1 4 . 1 1 43 43 GLU HA H 43 4.643 4.643 4.583 0.060 19302 2571 1 4 . 1 1 43 43 GLU C C 43 175.211 175.211 175.227 -0.016 19302 2572 1 4 . 1 1 43 43 GLU CA C 43 55.131 55.131 55.134 -0.003 19302 2573 1 4 . 1 1 43 43 GLU CB C 43 33.367 33.367 32.821 0.546 19302 2574 1 4 . 1 1 43 43 GLU H H 43 8.589 8.589 9.271 -0.682 19302 2575 1 4 . 1 1 44 44 ASP N N 44 124.759 124.759 125.659 -0.900 19302 2576 1 4 . 1 1 44 44 ASP HA H 44 4.708 4.708 4.533 0.175 19302 2577 1 4 . 1 1 44 44 ASP C C 44 177.308 177.308 177.039 0.269 19302 2578 1 4 . 1 1 44 44 ASP CA C 44 53.737 53.737 54.757 -1.020 19302 2579 1 4 . 1 1 44 44 ASP CB C 44 42.365 42.365 40.928 1.437 19302 2580 1 4 . 1 1 44 44 ASP H H 44 8.729 8.729 8.847 -0.118 19302 2581 1 4 . 1 1 45 45 GLY N N 45 108.414 108.414 114.537 -6.123 19302 2582 1 4 . 1 1 45 45 GLY C C 45 174.426 174.426 174.018 0.408 19302 2583 1 4 . 1 1 45 45 GLY CA C 45 46.367 46.367 44.856 1.511 19302 2584 1 4 . 1 1 45 45 GLY H H 45 8.564 8.564 8.413 0.151 19302 2585 1 4 . 1 1 46 46 LEU N N 46 119.025 119.025 122.246 -3.221 19302 2586 1 4 . 1 1 46 46 LEU HA H 46 4.356 4.356 4.457 -0.101 19302 2587 1 4 . 1 1 46 46 LEU C C 46 177.414 177.414 177.161 0.253 19302 2588 1 4 . 1 1 46 46 LEU CA C 46 54.189 54.189 55.499 -1.310 19302 2589 1 4 . 1 1 46 46 LEU CB C 46 43.853 43.853 41.836 2.017 19302 2590 1 4 . 1 1 46 46 LEU H H 46 7.130 7.130 7.590 -0.460 19302 2591 1 4 . 1 1 47 47 THR N N 47 117.926 117.926 114.184 3.742 19302 2592 1 4 . 1 1 47 47 THR HA H 47 4.326 4.326 4.456 -0.130 19302 2593 1 4 . 1 1 47 47 THR CA C 47 67.458 67.458 62.367 5.091 19302 2594 1 4 . 1 1 47 47 THR H H 47 9.042 9.042 8.406 0.636 19302 2595 1 4 . 1 1 48 48 PRO HA H 48 4.163 4.163 4.239 -0.076 19302 2596 1 4 . 1 1 48 48 PRO CA C 48 62.301 62.301 63.014 -0.713 19302 2597 1 4 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.210 -0.686 19302 2598 1 4 . 1 1 49 49 ASP N N 49 116.671 116.671 117.216 -0.545 19302 2599 1 4 . 1 1 49 49 ASP HA H 49 4.336 4.336 4.270 0.066 19302 2600 1 4 . 1 1 49 49 ASP C C 49 174.082 174.082 175.141 -1.059 19302 2601 1 4 . 1 1 49 49 ASP CA C 49 58.985 58.985 55.223 3.762 19302 2602 1 4 . 1 1 49 49 ASP CB C 49 43.773 43.773 42.688 1.085 19302 2603 1 4 . 1 1 49 49 ASP H H 49 7.731 7.731 7.813 -0.082 19302 2604 1 4 . 1 1 50 50 PHE N N 50 109.227 109.227 117.101 -7.874 19302 2605 1 4 . 1 1 50 50 PHE HA H 50 5.488 5.488 5.467 0.021 19302 2606 1 4 . 1 1 50 50 PHE C C 50 175.293 175.293 174.233 1.060 19302 2607 1 4 . 1 1 50 50 PHE CA C 50 55.516 55.516 56.472 -0.956 19302 2608 1 4 . 1 1 50 50 PHE CB C 50 43.280 43.280 43.013 0.267 19302 2609 1 4 . 1 1 50 50 PHE H H 50 7.324 7.324 7.992 -0.668 19302 2610 1 4 . 1 1 51 51 TYR N N 51 122.688 122.688 123.185 -0.497 19302 2611 1 4 . 1 1 51 51 TYR HA H 51 4.717 4.717 4.876 -0.159 19302 2612 1 4 . 1 1 51 51 TYR C C 51 174.427 174.427 175.693 -1.266 19302 2613 1 4 . 1 1 51 51 TYR CA C 51 59.097 59.097 57.499 1.598 19302 2614 1 4 . 1 1 51 51 TYR CB C 51 39.893 39.893 39.294 0.599 19302 2615 1 4 . 1 1 51 51 TYR H H 51 9.944 9.944 8.586 1.358 19302 2616 1 4 . 1 1 52 52 LEU N N 52 121.948 121.948 128.298 -6.350 19302 2617 1 4 . 1 1 52 52 LEU HA H 52 4.231 4.231 4.139 0.092 19302 2618 1 4 . 1 1 52 52 LEU C C 52 175.771 175.771 176.464 -0.693 19302 2619 1 4 . 1 1 52 52 LEU CA C 52 55.320 55.320 56.922 -1.601 19302 2620 1 4 . 1 1 52 52 LEU CB C 52 42.874 42.874 42.823 0.051 19302 2621 1 4 . 1 1 52 52 LEU H H 52 8.225 8.225 8.568 -0.343 19302 2622 1 4 . 1 1 53 53 SER N N 53 111.729 111.729 109.982 1.747 19302 2623 1 4 . 1 1 53 53 SER HA H 53 4.267 4.267 4.555 -0.288 19302 2624 1 4 . 1 1 53 53 SER C C 53 173.134 173.134 173.374 -0.240 19302 2625 1 4 . 1 1 53 53 SER CA C 53 56.843 56.843 57.481 -0.638 19302 2626 1 4 . 1 1 53 53 SER CB C 53 64.642 64.642 64.176 0.466 19302 2627 1 4 . 1 1 53 53 SER H H 53 8.487 8.487 7.713 0.774 19302 2628 1 4 . 1 1 54 54 ASN N N 54 116.204 116.204 118.286 -2.082 19302 2629 1 4 . 1 1 54 54 ASN HA H 54 4.388 4.388 4.590 -0.202 19302 2630 1 4 . 1 1 54 54 ASN C C 54 175.095 175.095 175.045 0.050 19302 2631 1 4 . 1 1 54 54 ASN CA C 54 55.905 55.905 54.472 1.433 19302 2632 1 4 . 1 1 54 54 ASN CB C 54 37.761 37.761 38.009 -0.248 19302 2633 1 4 . 1 1 54 54 ASN H H 54 8.682 8.682 8.798 -0.116 19302 2634 1 4 . 1 1 55 55 ARG N N 55 112.605 112.605 117.587 -4.982 19302 2635 1 4 . 1 1 55 55 ARG HA H 55 4.607 4.607 4.658 -0.051 19302 2636 1 4 . 1 1 55 55 ARG C C 55 175.506 175.506 173.769 1.737 19302 2637 1 4 . 1 1 55 55 ARG CA C 55 55.586 55.586 55.921 -0.335 19302 2638 1 4 . 1 1 55 55 ARG CB C 55 31.688 31.688 32.698 -1.010 19302 2639 1 4 . 1 1 55 55 ARG H H 55 7.783 7.783 7.778 0.005 19302 2640 1 4 . 1 1 56 56 CYS N N 56 122.261 122.261 117.354 4.907 19302 2641 1 4 . 1 1 56 56 CYS HA H 56 5.194 5.194 4.686 0.508 19302 2642 1 4 . 1 1 56 56 CYS C C 56 172.619 172.619 172.599 0.020 19302 2643 1 4 . 1 1 56 56 CYS CA C 56 58.099 58.099 58.628 -0.529 19302 2644 1 4 . 1 1 56 56 CYS CB C 56 28.338 28.338 31.715 -3.377 19302 2645 1 4 . 1 1 56 56 CYS H H 56 7.379 7.379 7.830 -0.451 19302 2646 1 4 . 1 1 57 57 CYS N N 57 124.705 124.705 119.187 5.518 19302 2647 1 4 . 1 1 57 57 CYS HA H 57 5.380 5.380 4.905 0.475 19302 2648 1 4 . 1 1 57 57 CYS C C 57 160.640 160.640 172.760 -12.120 19302 2649 1 4 . 1 1 57 57 CYS CA C 57 54.521 54.521 57.090 -2.569 19302 2650 1 4 . 1 1 57 57 CYS CB C 57 32.506 32.506 31.386 1.120 19302 2651 1 4 . 1 1 57 57 CYS H H 57 8.980 8.980 8.786 0.194 19302 2652 1 4 . 1 1 58 58 ILE N N 58 118.279 118.279 120.377 -2.098 19302 2653 1 4 . 1 1 58 58 ILE HA H 58 5.181 5.181 4.915 0.266 19302 2654 1 4 . 1 1 58 58 ILE C C 58 175.707 175.707 174.249 1.458 19302 2655 1 4 . 1 1 58 58 ILE CA C 58 58.535 58.535 59.923 -1.388 19302 2656 1 4 . 1 1 58 58 ILE CB C 58 41.538 41.538 41.783 -0.245 19302 2657 1 4 . 1 1 58 58 ILE H H 58 8.960 8.960 8.910 0.050 19302 2658 1 4 . 1 1 59 59 LEU N N 59 130.422 130.422 127.139 3.283 19302 2659 1 4 . 1 1 59 59 LEU HA H 59 4.716 4.716 4.787 -0.071 19302 2660 1 4 . 1 1 59 59 LEU C C 59 172.275 172.275 174.555 -2.280 19302 2661 1 4 . 1 1 59 59 LEU CA C 59 53.756 53.756 53.032 0.723 19302 2662 1 4 . 1 1 59 59 LEU CB C 59 42.530 42.530 46.072 -3.542 19302 2663 1 4 . 1 1 59 59 LEU H H 59 9.078 9.078 8.312 0.766 19302 2664 1 4 . 1 1 60 60 TYR N N 60 129.820 129.820 125.163 4.657 19302 2665 1 4 . 1 1 60 60 TYR HA H 60 5.110 5.110 4.865 0.245 19302 2666 1 4 . 1 1 60 60 TYR C C 60 174.911 174.911 174.150 0.761 19302 2667 1 4 . 1 1 60 60 TYR CA C 60 56.689 56.689 57.120 -0.431 19302 2668 1 4 . 1 1 60 60 TYR CB C 60 41.643 41.643 40.721 0.922 19302 2669 1 4 . 1 1 60 60 TYR H H 60 10.120 10.120 9.082 1.038 19302 2670 1 4 . 1 1 61 61 VAL N N 61 132.504 132.504 126.912 5.592 19302 2671 1 4 . 1 1 61 61 VAL HA H 61 4.232 4.232 4.794 -0.562 19302 2672 1 4 . 1 1 61 61 VAL C C 61 174.433 174.433 174.137 0.296 19302 2673 1 4 . 1 1 61 61 VAL CA C 61 61.641 61.641 60.423 1.218 19302 2674 1 4 . 1 1 61 61 VAL CB C 61 33.305 33.305 35.548 -2.243 19302 2675 1 4 . 1 1 61 61 VAL H H 61 8.903 8.903 8.141 0.762 19302 2676 1 4 . 1 1 62 62 THR N N 62 116.863 116.863 117.529 -0.666 19302 2677 1 4 . 1 1 62 62 THR HA H 62 4.024 4.024 4.623 -0.599 19302 2678 1 4 . 1 1 62 62 THR C C 62 175.118 175.118 175.035 0.083 19302 2679 1 4 . 1 1 62 62 THR CA C 62 60.650 60.650 59.273 1.377 19302 2680 1 4 . 1 1 62 62 THR CB C 62 72.134 72.134 71.105 1.029 19302 2681 1 4 . 1 1 62 62 THR H H 62 8.559 8.559 9.640 -1.081 19302 2682 1 4 . 1 1 63 63 GLU N N 63 120.767 120.767 127.757 -6.990 19302 2683 1 4 . 1 1 63 63 GLU HA H 63 3.776 3.776 3.860 -0.084 19302 2684 1 4 . 1 1 63 63 GLU C C 63 177.194 177.194 177.588 -0.394 19302 2685 1 4 . 1 1 63 63 GLU CA C 63 60.496 60.496 60.544 -0.048 19302 2686 1 4 . 1 1 63 63 GLU CB C 63 30.709 30.709 29.762 0.947 19302 2687 1 4 . 1 1 63 63 GLU H H 63 9.165 9.165 9.215 -0.050 19302 2688 1 4 . 1 1 64 64 ALA N N 64 119.167 119.167 120.746 -1.579 19302 2689 1 4 . 1 1 64 64 ALA HA H 64 3.998 3.998 3.995 0.003 19302 2690 1 4 . 1 1 64 64 ALA C C 64 180.477 180.477 179.932 0.545 19302 2691 1 4 . 1 1 64 64 ALA CA C 64 54.912 54.912 55.083 -0.171 19302 2692 1 4 . 1 1 64 64 ALA CB C 64 17.899 17.899 18.137 -0.238 19302 2693 1 4 . 1 1 64 64 ALA H H 64 7.919 7.919 7.543 0.376 19302 2694 1 4 . 1 1 65 65 ASP N N 65 119.995 119.995 118.867 1.128 19302 2695 1 4 . 1 1 65 65 ASP HA H 65 4.026 4.026 4.236 -0.210 19302 2696 1 4 . 1 1 65 65 ASP C C 65 177.891 177.891 178.261 -0.370 19302 2697 1 4 . 1 1 65 65 ASP CA C 65 57.412 57.412 56.936 0.476 19302 2698 1 4 . 1 1 65 65 ASP CB C 65 41.112 41.112 40.351 0.761 19302 2699 1 4 . 1 1 65 65 ASP H H 65 7.851 7.851 8.497 -0.646 19302 2700 1 4 . 1 1 66 66 LEU N N 66 118.585 118.585 120.709 -2.124 19302 2701 1 4 . 1 1 66 66 LEU HA H 66 3.813 3.813 3.990 -0.177 19302 2702 1 4 . 1 1 66 66 LEU C C 66 178.892 178.892 178.299 0.593 19302 2703 1 4 . 1 1 66 66 LEU CA C 66 56.943 56.943 57.696 -0.753 19302 2704 1 4 . 1 1 66 66 LEU CB C 66 41.700 41.700 42.145 -0.445 19302 2705 1 4 . 1 1 66 66 LEU H H 66 7.210 7.210 7.153 0.057 19302 2706 1 4 . 1 1 67 67 VAL N N 67 117.714 117.714 115.773 1.941 19302 2707 1 4 . 1 1 67 67 VAL HA H 67 3.088 3.088 3.663 -0.575 19302 2708 1 4 . 1 1 67 67 VAL C C 67 177.430 177.430 177.897 -0.467 19302 2709 1 4 . 1 1 67 67 VAL CA C 67 64.392 64.392 64.967 -0.575 19302 2710 1 4 . 1 1 67 67 VAL CB C 67 31.974 31.974 31.108 0.867 19302 2711 1 4 . 1 1 67 67 VAL H H 67 7.774 7.774 7.916 -0.142 19302 2712 1 4 . 1 1 68 68 ALA N N 68 120.210 120.210 121.017 -0.807 19302 2713 1 4 . 1 1 68 68 ALA HA H 68 3.992 3.992 4.232 -0.240 19302 2714 1 4 . 1 1 68 68 ALA C C 68 178.127 178.127 178.438 -0.311 19302 2715 1 4 . 1 1 68 68 ALA CA C 68 53.540 53.540 53.559 -0.019 19302 2716 1 4 . 1 1 68 68 ALA CB C 68 18.849 18.849 19.787 -0.938 19302 2717 1 4 . 1 1 68 68 ALA H H 68 7.336 7.336 7.547 -0.211 19302 2718 1 4 . 1 1 69 69 GLY N N 69 106.149 106.149 107.847 -1.698 19302 2719 1 4 . 1 1 69 69 GLY C C 69 173.298 173.298 173.533 -0.235 19302 2720 1 4 . 1 1 69 69 GLY CA C 69 45.057 45.057 45.355 -0.298 19302 2721 1 4 . 1 1 69 69 GLY H H 69 7.143 7.143 8.368 -1.225 19302 2722 1 4 . 1 1 70 70 ASN N N 70 118.879 118.879 117.508 1.371 19302 2723 1 4 . 1 1 70 70 ASN HA H 70 4.855 4.855 4.781 0.074 19302 2724 1 4 . 1 1 70 70 ASN C C 70 177.766 177.766 174.833 2.933 19302 2725 1 4 . 1 1 70 70 ASN CA C 70 52.611 52.611 52.702 -0.091 19302 2726 1 4 . 1 1 70 70 ASN CB C 70 38.356 38.356 39.880 -1.524 19302 2727 1 4 . 1 1 70 70 ASN H H 70 8.316 8.316 7.720 0.596 19302 2728 1 4 . 1 1 71 71 GLY N N 71 114.725 114.725 111.239 3.486 19302 2729 1 4 . 1 1 71 71 GLY C C 71 176.515 176.515 174.576 1.939 19302 2730 1 4 . 1 1 71 71 GLY CA C 71 47.575 47.575 45.555 2.020 19302 2731 1 4 . 1 1 71 71 GLY H H 71 8.812 8.812 8.515 0.297 19302 2732 1 4 . 1 1 72 72 TYR N N 72 118.594 118.594 122.304 -3.710 19302 2733 1 4 . 1 1 72 72 TYR HA H 72 4.182 4.182 4.517 -0.335 19302 2734 1 4 . 1 1 72 72 TYR C C 72 176.205 176.205 176.495 -0.290 19302 2735 1 4 . 1 1 72 72 TYR CA C 72 59.287 59.287 58.655 0.632 19302 2736 1 4 . 1 1 72 72 TYR CB C 72 37.305 37.305 38.465 -1.159 19302 2737 1 4 . 1 1 72 72 TYR H H 72 8.067 8.067 8.287 -0.220 19302 2738 1 4 . 1 1 73 73 ARG N N 73 119.967 119.967 120.517 -0.550 19302 2739 1 4 . 1 1 73 73 ARG HA H 73 3.261 3.261 3.939 -0.678 19302 2740 1 4 . 1 1 73 73 ARG C C 73 177.612 177.612 177.759 -0.147 19302 2741 1 4 . 1 1 73 73 ARG CA C 73 59.984 59.984 59.635 0.349 19302 2742 1 4 . 1 1 73 73 ARG CB C 73 29.286 29.286 29.790 -0.504 19302 2743 1 4 . 1 1 73 73 ARG H H 73 6.715 6.715 8.579 -1.864 19302 2744 1 4 . 1 1 74 74 LYS N N 74 116.928 116.928 118.034 -1.106 19302 2745 1 4 . 1 1 74 74 LYS HA H 74 3.728 3.728 3.974 -0.246 19302 2746 1 4 . 1 1 74 74 LYS C C 74 179.161 179.161 178.576 0.585 19302 2747 1 4 . 1 1 74 74 LYS CA C 74 59.770 59.770 59.145 0.625 19302 2748 1 4 . 1 1 74 74 LYS CB C 74 32.037 32.037 31.927 0.110 19302 2749 1 4 . 1 1 74 74 LYS H H 74 7.169 7.169 8.585 -1.416 19302 2750 1 4 . 1 1 75 75 ARG N N 75 117.727 117.727 117.882 -0.155 19302 2751 1 4 . 1 1 75 75 ARG HA H 75 3.753 3.753 3.975 -0.222 19302 2752 1 4 . 1 1 75 75 ARG C C 75 177.176 177.176 178.515 -1.339 19302 2753 1 4 . 1 1 75 75 ARG CA C 75 59.596 59.596 58.761 0.835 19302 2754 1 4 . 1 1 75 75 ARG CB C 75 31.110 31.110 29.840 1.270 19302 2755 1 4 . 1 1 75 75 ARG H H 75 7.511 7.511 7.333 0.178 19302 2756 1 4 . 1 1 76 76 LEU N N 76 118.105 118.105 119.788 -1.683 19302 2757 1 4 . 1 1 76 76 LEU HA H 76 3.575 3.575 3.890 -0.315 19302 2758 1 4 . 1 1 76 76 LEU C C 76 178.325 178.325 178.872 -0.547 19302 2759 1 4 . 1 1 76 76 LEU CA C 76 59.496 59.496 57.586 1.910 19302 2760 1 4 . 1 1 76 76 LEU CB C 76 41.124 41.124 41.426 -0.302 19302 2761 1 4 . 1 1 76 76 LEU H H 76 6.770 6.770 7.649 -0.879 19302 2762 1 4 . 1 1 77 77 VAL N N 77 117.854 117.854 118.242 -0.388 19302 2763 1 4 . 1 1 77 77 VAL HA H 77 3.243 3.243 3.538 -0.295 19302 2764 1 4 . 1 1 77 77 VAL C C 77 177.335 177.335 177.779 -0.444 19302 2765 1 4 . 1 1 77 77 VAL CA C 77 66.596 66.596 66.669 -0.073 19302 2766 1 4 . 1 1 77 77 VAL CB C 77 31.703 31.703 31.097 0.606 19302 2767 1 4 . 1 1 77 77 VAL H H 77 7.800 7.800 7.660 0.140 19302 2768 1 4 . 1 1 78 78 ARG N N 78 118.783 118.783 118.628 0.155 19302 2769 1 4 . 1 1 78 78 ARG HA H 78 3.872 3.872 3.962 -0.090 19302 2770 1 4 . 1 1 78 78 ARG C C 78 179.484 179.484 178.875 0.609 19302 2771 1 4 . 1 1 78 78 ARG CA C 78 59.337 59.337 58.869 0.468 19302 2772 1 4 . 1 1 78 78 ARG CB C 78 29.921 29.921 29.254 0.667 19302 2773 1 4 . 1 1 78 78 ARG H H 78 7.385 7.385 7.503 -0.118 19302 2774 1 4 . 1 1 79 79 VAL N N 79 118.747 118.747 117.078 1.669 19302 2775 1 4 . 1 1 79 79 VAL HA H 79 3.434 3.434 3.728 -0.294 19302 2776 1 4 . 1 1 79 79 VAL C C 79 177.902 177.902 177.840 0.062 19302 2777 1 4 . 1 1 79 79 VAL CA C 79 66.771 66.771 65.941 0.830 19302 2778 1 4 . 1 1 79 79 VAL CB C 79 31.327 31.327 31.378 -0.051 19302 2779 1 4 . 1 1 79 79 VAL H H 79 7.374 7.374 7.809 -0.435 19302 2780 1 4 . 1 1 80 80 ARG N N 80 122.868 122.868 118.493 4.375 19302 2781 1 4 . 1 1 80 80 ARG HA H 80 3.960 3.960 4.121 -0.161 19302 2782 1 4 . 1 1 80 80 ARG C C 80 177.893 177.893 177.059 0.834 19302 2783 1 4 . 1 1 80 80 ARG CA C 80 58.256 58.256 58.803 -0.547 19302 2784 1 4 . 1 1 80 80 ARG CB C 80 29.141 29.141 30.452 -1.311 19302 2785 1 4 . 1 1 80 80 ARG H H 80 8.268 8.268 7.992 0.276 19302 2786 1 4 . 1 1 81 81 ASN N N 81 115.469 115.469 115.717 -0.248 19302 2787 1 4 . 1 1 81 81 ASN HA H 81 4.528 4.528 4.637 -0.109 19302 2788 1 4 . 1 1 81 81 ASN C C 81 175.329 175.329 176.692 -1.363 19302 2789 1 4 . 1 1 81 81 ASN CA C 81 53.553 53.553 54.661 -1.108 19302 2790 1 4 . 1 1 81 81 ASN CB C 81 38.358 38.358 38.905 -0.547 19302 2791 1 4 . 1 1 81 81 ASN H H 81 7.878 7.878 8.311 -0.433 19302 2792 1 4 . 1 1 82 82 SER N N 82 117.226 117.226 115.994 1.232 19302 2793 1 4 . 1 1 82 82 SER HA H 82 4.350 4.350 4.270 0.080 19302 2794 1 4 . 1 1 82 82 SER C C 82 175.243 175.243 174.872 0.371 19302 2795 1 4 . 1 1 82 82 SER CA C 82 59.045 59.045 61.179 -2.135 19302 2796 1 4 . 1 1 82 82 SER CB C 82 63.929 63.929 63.545 0.384 19302 2797 1 4 . 1 1 82 82 SER H H 82 7.528 7.528 8.145 -0.617 19302 2798 1 4 . 1 1 83 83 ASN N N 83 121.059 121.059 115.925 5.134 19302 2799 1 4 . 1 1 83 83 ASN HA H 83 4.402 4.402 4.797 -0.395 19302 2800 1 4 . 1 1 83 83 ASN C C 83 175.260 175.260 173.701 1.559 19302 2801 1 4 . 1 1 83 83 ASN CA C 83 54.583 54.583 53.754 0.829 19302 2802 1 4 . 1 1 83 83 ASN CB C 83 38.909 38.909 40.082 -1.173 19302 2803 1 4 . 1 1 83 83 ASN H H 83 8.348 8.348 8.640 -0.292 19302 2804 1 4 . 1 1 84 84 ASN N N 84 117.070 117.070 119.492 -2.422 19302 2805 1 4 . 1 1 84 84 ASN HA H 84 4.422 4.422 4.816 -0.394 19302 2806 1 4 . 1 1 84 84 ASN C C 84 173.609 173.609 173.359 0.250 19302 2807 1 4 . 1 1 84 84 ASN CA C 84 53.753 53.753 53.464 0.289 19302 2808 1 4 . 1 1 84 84 ASN CB C 84 38.551 38.551 37.917 0.634 19302 2809 1 4 . 1 1 84 84 ASN H H 84 8.466 8.466 8.306 0.160 19302 2810 1 4 . 1 1 85 85 LEU N N 85 119.048 119.048 120.956 -1.908 19302 2811 1 4 . 1 1 85 85 LEU HA H 85 4.518 4.518 4.751 -0.233 19302 2812 1 4 . 1 1 85 85 LEU C C 85 175.397 175.397 177.005 -1.608 19302 2813 1 4 . 1 1 85 85 LEU CA C 85 54.094 54.094 54.209 -0.115 19302 2814 1 4 . 1 1 85 85 LEU CB C 85 44.902 44.902 43.155 1.747 19302 2815 1 4 . 1 1 85 85 LEU H H 85 7.453 7.453 8.318 -0.865 19302 2816 1 4 . 1 1 86 86 LYS N N 86 125.959 125.959 122.056 3.903 19302 2817 1 4 . 1 1 86 86 LYS HA H 86 4.397 4.397 4.513 -0.116 19302 2818 1 4 . 1 1 86 86 LYS C C 86 175.209 175.209 175.946 -0.737 19302 2819 1 4 . 1 1 86 86 LYS CA C 86 54.934 54.934 55.700 -0.766 19302 2820 1 4 . 1 1 86 86 LYS CB C 86 33.581 33.581 31.369 2.212 19302 2821 1 4 . 1 1 86 86 LYS H H 86 8.242 8.242 8.238 0.004 19302 2822 1 4 . 1 1 87 87 GLY N N 87 113.359 113.359 110.494 2.865 19302 2823 1 4 . 1 1 87 87 GLY C C 87 171.780 171.780 172.876 -1.096 19302 2824 1 4 . 1 1 87 87 GLY CA C 87 44.894 44.894 43.536 1.358 19302 2825 1 4 . 1 1 87 87 GLY H H 87 8.840 8.840 7.921 0.919 19302 2826 1 4 . 1 1 88 88 ILE N N 88 125.743 125.743 119.082 6.661 19302 2827 1 4 . 1 1 88 88 ILE HA H 88 4.077 4.077 5.041 -0.964 19302 2828 1 4 . 1 1 88 88 ILE C C 88 174.254 174.254 174.733 -0.479 19302 2829 1 4 . 1 1 88 88 ILE CA C 88 60.766 60.766 60.083 0.683 19302 2830 1 4 . 1 1 88 88 ILE CB C 88 40.483 40.483 41.543 -1.060 19302 2831 1 4 . 1 1 88 88 ILE H H 88 8.411 8.411 8.583 -0.172 19302 2832 1 4 . 1 1 89 89 VAL N N 89 129.556 129.556 124.691 4.865 19302 2833 1 4 . 1 1 89 89 VAL HA H 89 4.762 4.762 4.492 0.270 19302 2834 1 4 . 1 1 89 89 VAL C C 89 174.205 174.205 174.628 -0.423 19302 2835 1 4 . 1 1 89 89 VAL CA C 89 61.224 61.224 60.739 0.485 19302 2836 1 4 . 1 1 89 89 VAL CB C 89 31.924 31.924 32.940 -1.016 19302 2837 1 4 . 1 1 89 89 VAL H H 89 8.859 8.859 9.058 -0.199 19302 2838 1 4 . 1 1 90 90 VAL N N 90 130.678 130.678 128.075 2.603 19302 2839 1 4 . 1 1 90 90 VAL HA H 90 4.804 4.804 4.773 0.031 19302 2840 1 4 . 1 1 90 90 VAL C C 90 173.650 173.650 174.782 -1.132 19302 2841 1 4 . 1 1 90 90 VAL CA C 90 60.478 60.478 60.521 -0.043 19302 2842 1 4 . 1 1 90 90 VAL CB C 90 33.666 33.666 34.038 -0.372 19302 2843 1 4 . 1 1 90 90 VAL H H 90 8.747 8.747 8.259 0.488 19302 2844 1 4 . 1 1 91 91 VAL N N 91 122.793 122.793 125.651 -2.858 19302 2845 1 4 . 1 1 91 91 VAL HA H 91 5.019 5.019 4.686 0.333 19302 2846 1 4 . 1 1 91 91 VAL C C 91 173.241 173.241 174.542 -1.301 19302 2847 1 4 . 1 1 91 91 VAL CA C 91 56.898 56.898 59.801 -2.903 19302 2848 1 4 . 1 1 91 91 VAL CB C 91 35.349 35.349 35.566 -0.217 19302 2849 1 4 . 1 1 91 91 VAL H H 91 7.758 7.758 8.210 -0.452 19302 2850 1 4 . 1 1 92 92 GLU N N 92 125.925 125.925 124.379 1.546 19302 2851 1 4 . 1 1 92 92 GLU HA H 92 4.208 4.208 4.503 -0.295 19302 2852 1 4 . 1 1 92 92 GLU C C 92 173.665 173.665 175.184 -1.519 19302 2853 1 4 . 1 1 92 92 GLU CA C 92 55.740 55.740 54.990 0.750 19302 2854 1 4 . 1 1 92 92 GLU CB C 92 29.433 29.433 32.084 -2.651 19302 2855 1 4 . 1 1 92 92 GLU H H 92 7.501 7.501 8.338 -0.837 19302 2856 1 4 . 1 1 93 93 LYS N N 93 132.415 132.415 127.368 5.047 19302 2857 1 4 . 1 1 93 93 LYS HA H 93 4.033 4.033 4.266 -0.233 19302 2858 1 4 . 1 1 93 93 LYS C C 93 173.582 173.582 175.677 -2.095 19302 2859 1 4 . 1 1 93 93 LYS CA C 93 55.460 55.460 56.786 -1.326 19302 2860 1 4 . 1 1 93 93 LYS CB C 93 33.506 33.506 33.114 0.393 19302 2861 1 4 . 1 1 93 93 LYS H H 93 9.015 9.015 8.568 0.447 19302 2862 1 4 . 1 1 94 94 THR N N 94 118.315 118.315 115.244 3.071 19302 2863 1 4 . 1 1 94 94 THR HA H 94 4.600 4.600 4.527 0.073 19302 2864 1 4 . 1 1 94 94 THR C C 94 174.933 174.933 174.220 0.713 19302 2865 1 4 . 1 1 94 94 THR CA C 94 58.678 58.678 62.885 -4.207 19302 2866 1 4 . 1 1 94 94 THR CB C 94 72.561 72.561 70.500 2.061 19302 2867 1 4 . 1 1 94 94 THR H H 94 8.288 8.288 8.232 0.056 19302 2868 1 4 . 1 1 95 95 ARG N N 95 119.684 119.684 118.980 0.704 19302 2869 1 4 . 1 1 95 95 ARG HA H 95 3.960 3.960 4.656 -0.696 19302 2870 1 4 . 1 1 95 95 ARG C C 95 178.617 178.617 177.289 1.328 19302 2871 1 4 . 1 1 95 95 ARG CA C 95 59.240 59.240 56.819 2.421 19302 2872 1 4 . 1 1 95 95 ARG CB C 95 29.480 29.480 32.185 -2.705 19302 2873 1 4 . 1 1 95 95 ARG H H 95 8.719 8.719 7.950 0.769 19302 2874 1 4 . 1 1 96 96 MET N N 96 115.656 115.656 119.468 -3.812 19302 2875 1 4 . 1 1 96 96 MET HA H 96 4.332 4.332 4.349 -0.017 19302 2876 1 4 . 1 1 96 96 MET C C 96 177.312 177.312 177.536 -0.224 19302 2877 1 4 . 1 1 96 96 MET CA C 96 56.615 56.615 56.693 -0.078 19302 2878 1 4 . 1 1 96 96 MET CB C 96 32.723 32.723 31.829 0.894 19302 2879 1 4 . 1 1 96 96 MET H H 96 7.895 7.895 8.028 -0.133 19302 2880 1 4 . 1 1 97 97 SER N N 97 114.024 114.024 117.105 -3.081 19302 2881 1 4 . 1 1 97 97 SER HA H 97 4.648 4.648 4.141 0.507 19302 2882 1 4 . 1 1 97 97 SER C C 97 176.743 176.743 175.789 0.954 19302 2883 1 4 . 1 1 97 97 SER CA C 97 58.484 58.484 61.964 -3.480 19302 2884 1 4 . 1 1 97 97 SER CB C 97 65.103 65.103 62.965 2.138 19302 2885 1 4 . 1 1 97 97 SER H H 97 8.108 8.108 8.452 -0.344 19302 2886 1 4 . 1 1 98 98 GLU N N 98 124.701 124.701 119.477 5.224 19302 2887 1 4 . 1 1 98 98 GLU HA H 98 3.689 3.689 4.123 -0.434 19302 2888 1 4 . 1 1 98 98 GLU C C 98 178.994 178.994 178.039 0.955 19302 2889 1 4 . 1 1 98 98 GLU CA C 98 60.482 60.482 59.222 1.260 19302 2890 1 4 . 1 1 98 98 GLU CB C 98 29.096 29.096 28.536 0.560 19302 2891 1 4 . 1 1 98 98 GLU H H 98 8.229 8.229 8.805 -0.576 19302 2892 1 4 . 1 1 99 99 GLN N N 99 117.637 117.637 118.177 -0.540 19302 2893 1 4 . 1 1 99 99 GLN HA H 99 4.008 4.008 4.241 -0.233 19302 2894 1 4 . 1 1 99 99 GLN C C 99 176.402 176.402 177.689 -1.287 19302 2895 1 4 . 1 1 99 99 GLN CA C 99 58.127 58.127 58.678 -0.551 19302 2896 1 4 . 1 1 99 99 GLN CB C 99 28.135 28.135 29.543 -1.408 19302 2897 1 4 . 1 1 99 99 GLN H H 99 8.464 8.464 7.726 0.738 19302 2898 1 4 . 1 1 100 100 TYR N N 100 118.538 118.538 116.968 1.570 19302 2899 1 4 . 1 1 100 100 TYR HA H 100 4.512 4.512 4.722 -0.210 19302 2900 1 4 . 1 1 100 100 TYR C C 100 176.132 176.132 176.008 0.124 19302 2901 1 4 . 1 1 100 100 TYR CA C 100 58.029 58.029 57.060 0.969 19302 2902 1 4 . 1 1 100 100 TYR CB C 100 39.600 39.600 40.093 -0.493 19302 2903 1 4 . 1 1 100 100 TYR H H 100 7.688 7.688 8.403 -0.715 19302 2904 1 4 . 1 1 101 101 PHE N N 101 121.713 121.713 123.051 -1.338 19302 2905 1 4 . 1 1 101 101 PHE HA H 101 4.098 4.098 4.486 -0.388 19302 2906 1 4 . 1 1 101 101 PHE C C 101 173.115 173.115 174.124 -1.009 19302 2907 1 4 . 1 1 101 101 PHE CA C 101 63.389 63.389 62.797 0.592 19302 2908 1 4 . 1 1 101 101 PHE CB C 101 37.438 37.438 37.508 -0.070 19302 2909 1 4 . 1 1 101 101 PHE H H 101 7.916 7.916 9.127 -1.211 19302 2910 1 4 . 1 1 102 102 PRO HA H 102 4.078 4.078 4.017 0.061 19302 2911 1 4 . 1 1 102 102 PRO C C 102 179.371 179.371 177.855 1.516 19302 2912 1 4 . 1 1 102 102 PRO CA C 102 67.173 67.173 65.063 2.110 19302 2913 1 4 . 1 1 102 102 PRO CB C 102 30.497 30.497 30.672 -0.175 19302 2914 1 4 . 1 1 103 103 ALA N N 103 119.259 119.259 120.909 -1.650 19302 2915 1 4 . 1 1 103 103 ALA HA H 103 4.043 4.043 3.935 0.108 19302 2916 1 4 . 1 1 103 103 ALA C C 103 180.693 180.693 179.369 1.324 19302 2917 1 4 . 1 1 103 103 ALA CA C 103 54.322 54.322 54.398 -0.076 19302 2918 1 4 . 1 1 103 103 ALA CB C 103 18.420 18.420 17.471 0.949 19302 2919 1 4 . 1 1 103 103 ALA H H 103 8.030 8.030 7.800 0.230 19302 2920 1 4 . 1 1 104 104 LEU N N 104 121.207 121.207 119.399 1.808 19302 2921 1 4 . 1 1 104 104 LEU HA H 104 4.164 4.164 3.898 0.266 19302 2922 1 4 . 1 1 104 104 LEU C C 104 179.295 179.295 178.091 1.204 19302 2923 1 4 . 1 1 104 104 LEU CA C 104 58.235 58.235 57.318 0.917 19302 2924 1 4 . 1 1 104 104 LEU CB C 104 41.154 41.154 41.957 -0.803 19302 2925 1 4 . 1 1 104 104 LEU H H 104 7.161 7.161 7.399 -0.238 19302 2926 1 4 . 1 1 105 105 GLN N N 105 123.941 123.941 119.056 4.885 19302 2927 1 4 . 1 1 105 105 GLN HA H 105 3.451 3.451 3.733 -0.282 19302 2928 1 4 . 1 1 105 105 GLN C C 105 176.984 176.984 178.183 -1.199 19302 2929 1 4 . 1 1 105 105 GLN CA C 105 59.986 59.986 59.255 0.731 19302 2930 1 4 . 1 1 105 105 GLN CB C 105 27.878 27.878 28.066 -0.188 19302 2931 1 4 . 1 1 105 105 GLN H H 105 8.836 8.836 7.619 1.217 19302 2932 1 4 . 1 1 106 106 LYS N N 106 119.943 119.943 119.390 0.553 19302 2933 1 4 . 1 1 106 106 LYS HA H 106 3.752 3.752 4.027 -0.275 19302 2934 1 4 . 1 1 106 106 LYS C C 106 177.834 177.834 178.820 -0.986 19302 2935 1 4 . 1 1 106 106 LYS CA C 106 60.337 60.337 58.778 1.559 19302 2936 1 4 . 1 1 106 106 LYS CB C 106 32.380 32.380 31.957 0.423 19302 2937 1 4 . 1 1 106 106 LYS H H 106 7.692 7.692 7.724 -0.032 19302 2938 1 4 . 1 1 107 107 PHE N N 107 117.769 117.769 119.509 -1.740 19302 2939 1 4 . 1 1 107 107 PHE HA H 107 4.378 4.378 4.447 -0.069 19302 2940 1 4 . 1 1 107 107 PHE C C 107 176.089 176.089 178.081 -1.992 19302 2941 1 4 . 1 1 107 107 PHE CA C 107 60.327 60.327 61.023 -0.696 19302 2942 1 4 . 1 1 107 107 PHE CB C 107 40.477 40.477 39.288 1.189 19302 2943 1 4 . 1 1 107 107 PHE H H 107 7.514 7.514 7.967 -0.453 19302 2944 1 4 . 1 1 108 108 THR N N 108 112.966 112.966 117.302 -4.336 19302 2945 1 4 . 1 1 108 108 THR HA H 108 3.196 3.196 3.912 -0.716 19302 2946 1 4 . 1 1 108 108 THR C C 108 174.656 174.656 176.904 -2.248 19302 2947 1 4 . 1 1 108 108 THR CA C 108 67.885 67.885 67.654 0.231 19302 2948 1 4 . 1 1 108 108 THR CB C 108 69.292 69.292 68.715 0.577 19302 2949 1 4 . 1 1 108 108 THR H H 108 8.541 8.541 8.754 -0.213 19302 2950 1 4 . 1 1 109 109 VAL N N 109 118.515 118.515 122.221 -3.706 19302 2951 1 4 . 1 1 109 109 VAL HA H 109 3.953 3.953 3.794 0.159 19302 2952 1 4 . 1 1 109 109 VAL C C 109 178.009 178.009 177.398 0.611 19302 2953 1 4 . 1 1 109 109 VAL CA C 109 65.110 65.110 66.606 -1.496 19302 2954 1 4 . 1 1 109 109 VAL CB C 109 32.327 32.327 31.629 0.698 19302 2955 1 4 . 1 1 109 109 VAL H H 109 8.065 8.065 8.032 0.033 19302 2956 1 4 . 1 1 110 110 LEU N N 110 118.627 118.627 118.619 0.008 19302 2957 1 4 . 1 1 110 110 LEU HA H 110 4.157 4.157 3.939 0.218 19302 2958 1 4 . 1 1 110 110 LEU C C 110 178.351 178.351 177.994 0.357 19302 2959 1 4 . 1 1 110 110 LEU CA C 110 57.133 57.133 56.972 0.161 19302 2960 1 4 . 1 1 110 110 LEU CB C 110 40.985 40.985 42.096 -1.111 19302 2961 1 4 . 1 1 110 110 LEU H H 110 7.224 7.224 7.494 -0.270 19302 2962 1 4 . 1 1 111 111 ASP N N 111 119.092 119.092 118.749 0.343 19302 2963 1 4 . 1 1 111 111 ASP HA H 111 4.325 4.325 4.492 -0.167 19302 2964 1 4 . 1 1 111 111 ASP C C 111 178.644 178.644 177.596 1.048 19302 2965 1 4 . 1 1 111 111 ASP CA C 111 57.243 57.243 57.042 0.201 19302 2966 1 4 . 1 1 111 111 ASP CB C 111 39.330 39.330 41.312 -1.982 19302 2967 1 4 . 1 1 111 111 ASP H H 111 7.719 7.719 8.184 -0.465 19302 2968 1 4 . 1 1 112 112 LEU N N 112 114.990 114.990 117.056 -2.066 19302 2969 1 4 . 1 1 112 112 LEU HA H 112 4.044 4.044 4.534 -0.490 19302 2970 1 4 . 1 1 112 112 LEU C C 112 177.936 177.936 177.436 0.500 19302 2971 1 4 . 1 1 112 112 LEU CA C 112 55.507 55.507 54.784 0.723 19302 2972 1 4 . 1 1 112 112 LEU CB C 112 42.142 42.142 43.459 -1.317 19302 2973 1 4 . 1 1 112 112 LEU H H 112 7.306 7.306 8.331 -1.025 19302 2974 1 4 . 1 1 113 113 GLY N N 113 108.097 108.097 107.967 0.130 19302 2975 1 4 . 1 1 113 113 GLY C C 113 175.161 175.161 174.457 0.704 19302 2976 1 4 . 1 1 113 113 GLY CA C 113 47.080 47.080 46.256 0.824 19302 2977 1 4 . 1 1 113 113 GLY H H 113 6.651 6.651 7.323 -0.672 19302 2978 1 4 . 1 1 114 114 MET N N 114 119.916 119.916 118.541 1.375 19302 2979 1 4 . 1 1 114 114 MET HA H 114 4.441 4.441 4.551 -0.110 19302 2980 1 4 . 1 1 114 114 MET C C 114 174.467 174.467 175.478 -1.011 19302 2981 1 4 . 1 1 114 114 MET CA C 114 55.303 55.303 54.605 0.698 19302 2982 1 4 . 1 1 114 114 MET CB C 114 35.820 35.820 35.390 0.430 19302 2983 1 4 . 1 1 114 114 MET H H 114 8.107 8.107 7.626 0.481 19302 2984 1 4 . 1 1 115 115 VAL N N 115 120.592 120.592 121.260 -0.668 19302 2985 1 4 . 1 1 115 115 VAL HA H 115 3.723 3.723 4.240 -0.517 19302 2986 1 4 . 1 1 115 115 VAL C C 115 173.084 173.084 174.038 -0.954 19302 2987 1 4 . 1 1 115 115 VAL CA C 115 62.921 62.921 61.632 1.289 19302 2988 1 4 . 1 1 115 115 VAL CB C 115 33.192 33.192 30.906 2.286 19302 2989 1 4 . 1 1 115 115 VAL H H 115 7.414 7.414 8.192 -0.778 19302 2990 1 4 . 1 1 116 116 LEU N N 116 128.303 128.303 130.269 -1.966 19302 2991 1 4 . 1 1 116 116 LEU HA H 116 5.176 5.176 5.152 0.024 19302 2992 1 4 . 1 1 116 116 LEU C C 116 175.304 175.304 175.640 -0.336 19302 2993 1 4 . 1 1 116 116 LEU CA C 116 53.335 53.335 53.485 -0.150 19302 2994 1 4 . 1 1 116 116 LEU CB C 116 45.512 45.512 44.265 1.247 19302 2995 1 4 . 1 1 116 116 LEU H H 116 7.872 7.872 8.464 -0.592 19302 2996 1 4 . 1 1 117 117 LEU N N 117 129.470 129.470 128.341 1.129 19302 2997 1 4 . 1 1 117 117 LEU HA H 117 4.922 4.922 4.975 -0.053 19302 2998 1 4 . 1 1 117 117 LEU C C 117 173.512 173.512 174.481 -0.969 19302 2999 1 4 . 1 1 117 117 LEU CA C 117 51.061 51.061 52.076 -1.015 19302 3000 1 4 . 1 1 117 117 LEU CB C 117 43.824 43.824 46.060 -2.236 19302 3001 1 4 . 1 1 117 117 LEU H H 117 9.331 9.331 8.929 0.402 19302 3002 1 4 . 1 1 118 118 PRO HA H 118 5.167 5.167 4.939 0.228 19302 3003 1 4 . 1 1 118 118 PRO C C 118 176.784 176.784 175.951 0.833 19302 3004 1 4 . 1 1 118 118 PRO CA C 118 61.019 61.019 62.171 -1.152 19302 3005 1 4 . 1 1 118 118 PRO CB C 118 32.806 32.806 32.670 0.136 19302 3006 1 4 . 1 1 119 119 VAL N N 119 114.345 114.345 114.197 0.148 19302 3007 1 4 . 1 1 119 119 VAL HA H 119 4.507 4.507 4.386 0.121 19302 3008 1 4 . 1 1 119 119 VAL C C 119 174.881 174.881 174.572 0.309 19302 3009 1 4 . 1 1 119 119 VAL CA C 119 59.150 59.150 60.510 -1.360 19302 3010 1 4 . 1 1 119 119 VAL CB C 119 36.847 36.847 33.210 3.637 19302 3011 1 4 . 1 1 119 119 VAL H H 119 8.775 8.775 8.535 0.240 19302 3012 1 4 . 1 1 120 120 ALA N N 120 121.458 121.458 118.944 2.514 19302 3013 1 4 . 1 1 120 120 ALA HA H 120 4.335 4.335 4.461 -0.126 19302 3014 1 4 . 1 1 120 120 ALA C C 120 177.637 177.637 175.464 2.173 19302 3015 1 4 . 1 1 120 120 ALA CA C 120 52.662 52.662 52.467 0.195 19302 3016 1 4 . 1 1 120 120 ALA CB C 120 19.817 19.817 20.159 -0.342 19302 3017 1 4 . 1 1 120 120 ALA H H 120 8.740 8.740 8.287 0.453 19302 3018 1 4 . 1 1 121 121 SER N N 121 106.201 106.201 112.823 -6.622 19302 3019 1 4 . 1 1 121 121 SER HA H 121 4.523 4.523 4.839 -0.316 19302 3020 1 4 . 1 1 121 121 SER C C 121 173.940 173.940 174.632 -0.692 19302 3021 1 4 . 1 1 121 121 SER CA C 121 56.668 56.668 56.931 -0.263 19302 3022 1 4 . 1 1 121 121 SER CB C 121 66.057 66.057 65.468 0.589 19302 3023 1 4 . 1 1 121 121 SER H H 121 7.147 7.147 7.731 -0.584 19302 3024 1 4 . 1 1 122 122 GLN N N 122 120.942 120.942 122.910 -1.968 19302 3025 1 4 . 1 1 122 122 GLN HA H 122 4.063 4.063 4.133 -0.070 19302 3026 1 4 . 1 1 122 122 GLN C C 122 178.350 178.350 177.338 1.012 19302 3027 1 4 . 1 1 122 122 GLN CA C 122 59.436 59.436 59.454 -0.018 19302 3028 1 4 . 1 1 122 122 GLN CB C 122 29.018 29.018 28.913 0.104 19302 3029 1 4 . 1 1 122 122 GLN H H 122 9.055 9.055 8.923 0.132 19302 3030 1 4 . 1 1 123 123 MET N N 123 118.978 118.978 115.768 3.210 19302 3031 1 4 . 1 1 123 123 MET HA H 123 3.947 3.947 4.347 -0.400 19302 3032 1 4 . 1 1 123 123 MET C C 123 179.161 179.161 178.238 0.923 19302 3033 1 4 . 1 1 123 123 MET CA C 123 58.802 58.802 57.429 1.373 19302 3034 1 4 . 1 1 123 123 MET CB C 123 31.305 31.305 31.724 -0.419 19302 3035 1 4 . 1 1 123 123 MET H H 123 7.950 7.950 8.133 -0.183 19302 3036 1 4 . 1 1 124 124 GLU N N 124 121.747 121.747 120.244 1.503 19302 3037 1 4 . 1 1 124 124 GLU HA H 124 3.897 3.897 3.916 -0.019 19302 3038 1 4 . 1 1 124 124 GLU C C 124 179.272 179.272 178.715 0.557 19302 3039 1 4 . 1 1 124 124 GLU CA C 124 59.686 59.686 59.833 -0.147 19302 3040 1 4 . 1 1 124 124 GLU CB C 124 29.943 29.943 29.364 0.579 19302 3041 1 4 . 1 1 124 124 GLU H H 124 7.729 7.729 7.865 -0.136 19302 3042 1 4 . 1 1 125 125 ALA N N 125 121.208 121.208 122.042 -0.834 19302 3043 1 4 . 1 1 125 125 ALA HA H 125 3.827 3.827 4.034 -0.207 19302 3044 1 4 . 1 1 125 125 ALA C C 125 178.068 178.068 179.755 -1.687 19302 3045 1 4 . 1 1 125 125 ALA CA C 125 54.330 54.330 55.488 -1.158 19302 3046 1 4 . 1 1 125 125 ALA CB C 125 19.232 19.232 17.883 1.349 19302 3047 1 4 . 1 1 125 125 ALA H H 125 8.083 8.083 7.766 0.317 19302 3048 1 4 . 1 1 126 126 SER N N 126 114.095 114.095 114.265 -0.170 19302 3049 1 4 . 1 1 126 126 SER HA H 126 3.527 3.527 4.081 -0.554 19302 3050 1 4 . 1 1 126 126 SER C C 126 175.129 175.129 176.625 -1.496 19302 3051 1 4 . 1 1 126 126 SER CA C 126 62.161 62.161 61.945 0.216 19302 3052 1 4 . 1 1 126 126 SER CB C 126 69.705 69.705 62.686 7.019 19302 3053 1 4 . 1 1 126 126 SER H H 126 7.975 7.975 7.957 0.018 19302 3054 1 4 . 1 1 127 127 CYS N N 127 119.210 119.210 120.182 -0.972 19302 3055 1 4 . 1 1 127 127 CYS HA H 127 3.819 3.819 4.343 -0.524 19302 3056 1 4 . 1 1 127 127 CYS C C 127 177.016 177.016 176.606 0.410 19302 3057 1 4 . 1 1 127 127 CYS CA C 127 62.351 62.351 61.898 0.453 19302 3058 1 4 . 1 1 127 127 CYS CB C 127 26.714 26.714 27.764 -1.050 19302 3059 1 4 . 1 1 127 127 CYS H H 127 6.869 6.869 7.953 -1.084 19302 3060 1 4 . 1 1 128 128 LEU N N 128 122.342 122.342 122.119 0.223 19302 3061 1 4 . 1 1 128 128 LEU HA H 128 3.947 3.947 3.970 -0.022 19302 3062 1 4 . 1 1 128 128 LEU C C 128 178.010 178.010 178.541 -0.531 19302 3063 1 4 . 1 1 128 128 LEU CA C 128 57.860 57.860 58.114 -0.254 19302 3064 1 4 . 1 1 128 128 LEU CB C 128 41.951 41.951 42.176 -0.225 19302 3065 1 4 . 1 1 128 128 LEU H H 128 7.527 7.527 8.578 -1.051 19302 3066 1 4 . 1 1 129 129 VAL N N 129 119.021 119.021 118.883 0.138 19302 3067 1 4 . 1 1 129 129 VAL HA H 129 3.035 3.035 3.576 -0.541 19302 3068 1 4 . 1 1 129 129 VAL C C 129 177.035 177.035 178.127 -1.092 19302 3069 1 4 . 1 1 129 129 VAL CA C 129 67.656 67.656 67.060 0.596 19302 3070 1 4 . 1 1 129 129 VAL CB C 129 30.898 30.898 31.386 -0.488 19302 3071 1 4 . 1 1 129 129 VAL H H 129 8.360 8.360 8.710 -0.350 19302 3072 1 4 . 1 1 130 130 ILE N N 130 117.913 117.913 119.182 -1.269 19302 3073 1 4 . 1 1 130 130 ILE HA H 130 3.292 3.292 3.532 -0.240 19302 3074 1 4 . 1 1 130 130 ILE C C 130 177.834 177.834 177.505 0.329 19302 3075 1 4 . 1 1 130 130 ILE CA C 130 64.592 64.592 65.448 -0.856 19302 3076 1 4 . 1 1 130 130 ILE CB C 130 36.970 36.970 37.562 -0.592 19302 3077 1 4 . 1 1 130 130 ILE H H 130 7.331 7.331 7.371 -0.040 19302 3078 1 4 . 1 1 131 131 GLN N N 131 120.359 120.359 119.082 1.277 19302 3079 1 4 . 1 1 131 131 GLN HA H 131 3.846 3.846 3.927 -0.081 19302 3080 1 4 . 1 1 131 131 GLN C C 131 178.708 178.708 178.544 0.164 19302 3081 1 4 . 1 1 131 131 GLN CA C 131 59.310 59.310 58.908 0.402 19302 3082 1 4 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.461 -0.359 19302 3083 1 4 . 1 1 131 131 GLN H H 131 7.505 7.505 7.857 -0.352 19302 3084 1 4 . 1 1 132 132 LEU N N 132 120.310 120.310 119.887 0.423 19302 3085 1 4 . 1 1 132 132 LEU HA H 132 3.848 3.848 3.976 -0.128 19302 3086 1 4 . 1 1 132 132 LEU C C 132 179.854 179.854 178.690 1.164 19302 3087 1 4 . 1 1 132 132 LEU CA C 132 57.975 57.975 58.275 -0.300 19302 3088 1 4 . 1 1 132 132 LEU CB C 132 41.902 41.902 42.106 -0.204 19302 3089 1 4 . 1 1 132 132 LEU H H 132 8.270 8.270 7.633 0.637 19302 3090 1 4 . 1 1 133 133 VAL N N 133 120.909 120.909 118.184 2.725 19302 3091 1 4 . 1 1 133 133 VAL HA H 133 4.004 4.004 3.483 0.521 19302 3092 1 4 . 1 1 133 133 VAL C C 133 178.791 178.791 178.281 0.510 19302 3093 1 4 . 1 1 133 133 VAL CA C 133 58.026 58.026 66.218 -8.192 19302 3094 1 4 . 1 1 133 133 VAL CB C 133 32.475 32.475 31.278 1.197 19302 3095 1 4 . 1 1 133 133 VAL H H 133 8.162 8.162 7.350 0.812 19302 3096 1 4 . 1 1 134 134 GLN N N 134 120.073 120.073 119.650 0.423 19302 3097 1 4 . 1 1 134 134 GLN HA H 134 3.943 3.943 4.042 -0.099 19302 3098 1 4 . 1 1 134 134 GLN C C 134 178.374 178.374 178.032 0.342 19302 3099 1 4 . 1 1 134 134 GLN CA C 134 57.164 57.164 58.473 -1.309 19302 3100 1 4 . 1 1 134 134 GLN CB C 134 29.632 29.632 28.642 0.990 19302 3101 1 4 . 1 1 134 134 GLN H H 134 7.837 7.837 8.776 -0.939 19302 3102 1 4 . 1 1 135 135 GLU N N 135 118.639 118.639 119.684 -1.045 19302 3103 1 4 . 1 1 135 135 GLU HA H 135 3.902 3.902 4.048 -0.146 19302 3104 1 4 . 1 1 135 135 GLU C C 135 177.986 177.986 178.770 -0.784 19302 3105 1 4 . 1 1 135 135 GLU CA C 135 58.266 58.266 58.989 -0.723 19302 3106 1 4 . 1 1 135 135 GLU CB C 135 29.593 29.593 29.476 0.117 19302 3107 1 4 . 1 1 135 135 GLU H H 135 7.989 7.989 7.737 0.252 19302 3108 1 4 . 1 1 136 136 GLN N N 136 118.352 118.352 119.005 -0.653 19302 3109 1 4 . 1 1 136 136 GLN HA H 136 3.994 3.994 4.035 -0.041 19302 3110 1 4 . 1 1 136 136 GLN C C 136 176.807 176.807 178.218 -1.411 19302 3111 1 4 . 1 1 136 136 GLN CA C 136 56.762 56.762 58.683 -1.921 19302 3112 1 4 . 1 1 136 136 GLN CB C 136 28.835 28.835 28.740 0.095 19302 3113 1 4 . 1 1 136 136 GLN H H 136 7.845 7.845 7.682 0.163 19302 3114 1 4 . 1 1 137 137 THR N N 137 113.953 113.953 109.737 4.216 19302 3115 1 4 . 1 1 137 137 THR HA H 137 4.163 4.163 4.156 0.007 19302 3116 1 4 . 1 1 137 137 THR C C 137 174.267 174.267 174.182 0.085 19302 3117 1 4 . 1 1 137 137 THR CA C 137 64.611 64.611 62.123 2.488 19302 3118 1 4 . 1 1 137 137 THR CB C 137 69.280 69.280 68.430 0.850 19302 3119 1 4 . 1 1 137 137 THR H H 137 7.847 7.847 7.522 0.325 19302 3120 1 4 . 1 1 138 138 LYS N N 138 122.289 122.289 119.318 2.971 19302 3121 1 4 . 1 1 138 138 LYS C C 138 176.119 176.119 176.498 -0.379 19302 3122 1 4 . 1 1 138 138 LYS CA C 138 56.329 56.329 57.245 -0.916 19302 3123 1 4 . 1 1 138 138 LYS CB C 138 32.891 32.891 30.553 2.338 19302 3124 1 4 . 1 1 138 138 LYS H H 138 7.607 7.607 8.017 -0.410 19302 3125 1 5 . 1 1 2 2 GLU N N 2 123.078 123.078 120.685 2.393 19302 3126 1 5 . 1 1 2 2 GLU HA H 2 4.160 4.160 4.911 -0.751 19302 3127 1 5 . 1 1 2 2 GLU C C 2 175.765 175.765 175.635 0.130 19302 3128 1 5 . 1 1 2 2 GLU CA C 2 56.353 56.353 55.896 0.457 19302 3129 1 5 . 1 1 2 2 GLU CB C 2 30.041 30.041 33.152 -3.111 19302 3130 1 5 . 1 1 2 2 GLU H H 2 8.313 8.313 8.330 -0.017 19302 3131 1 5 . 1 1 3 3 LYS N N 3 124.091 124.091 120.213 3.878 19302 3132 1 5 . 1 1 3 3 LYS HA H 3 4.013 4.013 4.507 -0.494 19302 3133 1 5 . 1 1 3 3 LYS C C 3 174.713 174.713 175.543 -0.830 19302 3134 1 5 . 1 1 3 3 LYS CA C 3 56.240 56.240 55.714 0.526 19302 3135 1 5 . 1 1 3 3 LYS CB C 3 33.400 33.400 33.549 -0.149 19302 3136 1 5 . 1 1 3 3 LYS H H 3 8.243 8.243 8.245 -0.002 19302 3137 1 5 . 1 1 4 4 ASN N N 4 121.184 121.184 120.695 0.489 19302 3138 1 5 . 1 1 4 4 ASN C C 4 172.940 172.940 173.225 -0.285 19302 3139 1 5 . 1 1 4 4 ASN CA C 4 50.404 50.404 52.191 -1.787 19302 3140 1 5 . 1 1 4 4 ASN CB C 4 41.212 41.212 39.030 2.182 19302 3141 1 5 . 1 1 4 4 ASN H H 4 8.086 8.086 8.421 -0.335 19302 3142 1 5 . 1 1 6 6 PRO HA H 6 4.222 4.222 4.599 -0.377 19302 3143 1 5 . 1 1 6 6 PRO C C 6 176.390 176.390 176.015 0.375 19302 3144 1 5 . 1 1 6 6 PRO CA C 6 63.267 63.267 62.817 0.450 19302 3145 1 5 . 1 1 6 6 PRO CB C 6 32.008 32.008 32.844 -0.836 19302 3146 1 5 . 1 1 7 7 ASP N N 7 120.412 120.412 119.728 0.684 19302 3147 1 5 . 1 1 7 7 ASP HA H 7 4.402 4.402 4.601 -0.199 19302 3148 1 5 . 1 1 7 7 ASP C C 7 175.911 175.911 176.201 -0.290 19302 3149 1 5 . 1 1 7 7 ASP CA C 7 54.248 54.248 53.670 0.578 19302 3150 1 5 . 1 1 7 7 ASP CB C 7 41.210 41.210 40.273 0.937 19302 3151 1 5 . 1 1 7 7 ASP H H 7 8.175 8.175 8.333 -0.158 19302 3152 1 5 . 1 1 8 8 ASP N N 8 121.448 121.448 118.644 2.804 19302 3153 1 5 . 1 1 8 8 ASP HA H 8 4.554 4.554 4.367 0.187 19302 3154 1 5 . 1 1 8 8 ASP C C 8 176.334 176.334 176.074 0.260 19302 3155 1 5 . 1 1 8 8 ASP CA C 8 54.240 54.240 55.183 -0.943 19302 3156 1 5 . 1 1 8 8 ASP CB C 8 41.354 41.354 40.266 1.089 19302 3157 1 5 . 1 1 8 8 ASP H H 8 8.080 8.080 8.148 -0.068 19302 3158 1 5 . 1 1 9 9 THR N N 9 114.376 114.376 112.977 1.399 19302 3159 1 5 . 1 1 9 9 THR HA H 9 4.170 4.170 3.991 0.179 19302 3160 1 5 . 1 1 9 9 THR C C 9 174.565 174.565 175.293 -0.728 19302 3161 1 5 . 1 1 9 9 THR CA C 9 62.018 62.018 63.548 -1.530 19302 3162 1 5 . 1 1 9 9 THR CB C 9 69.655 69.655 68.323 1.332 19302 3163 1 5 . 1 1 9 9 THR H H 9 7.982 7.982 8.149 -0.167 19302 3164 1 5 . 1 1 10 10 GLY N N 10 111.726 111.726 108.957 2.769 19302 3165 1 5 . 1 1 10 10 GLY C C 10 171.287 171.287 172.846 -1.559 19302 3166 1 5 . 1 1 10 10 GLY CA C 10 44.627 44.627 45.730 -1.103 19302 3167 1 5 . 1 1 10 10 GLY H H 10 8.051 8.051 8.526 -0.475 19302 3168 1 5 . 1 1 11 11 PRO HA H 11 4.298 4.298 4.214 0.084 19302 3169 1 5 . 1 1 11 11 PRO C C 11 176.417 176.417 176.293 0.124 19302 3170 1 5 . 1 1 11 11 PRO CA C 11 63.173 63.173 62.807 0.366 19302 3171 1 5 . 1 1 11 11 PRO CB C 11 32.419 32.419 30.538 1.881 19302 3172 1 5 . 1 1 12 12 VAL N N 12 120.990 120.990 122.439 -1.449 19302 3173 1 5 . 1 1 12 12 VAL HA H 12 3.757 3.757 3.535 0.222 19302 3174 1 5 . 1 1 12 12 VAL C C 12 174.604 174.604 175.604 -1.000 19302 3175 1 5 . 1 1 12 12 VAL CA C 12 61.747 61.747 63.299 -1.552 19302 3176 1 5 . 1 1 12 12 VAL CB C 12 33.506 33.506 31.795 1.711 19302 3177 1 5 . 1 1 12 12 VAL H H 12 7.667 7.667 7.981 -0.314 19302 3178 1 5 . 1 1 13 13 HIS N N 13 123.020 123.020 126.527 -3.507 19302 3179 1 5 . 1 1 13 13 HIS HA H 13 4.387 4.387 4.746 -0.359 19302 3180 1 5 . 1 1 13 13 HIS C C 13 173.601 173.601 174.666 -1.065 19302 3181 1 5 . 1 1 13 13 HIS CA C 13 55.731 55.731 52.358 3.373 19302 3182 1 5 . 1 1 13 13 HIS CB C 13 30.039 30.039 27.874 2.165 19302 3183 1 5 . 1 1 13 13 HIS H H 13 8.088 8.088 7.756 0.332 19302 3184 1 5 . 1 1 14 14 VAL N N 14 126.633 126.633 118.851 7.782 19302 3185 1 5 . 1 1 14 14 VAL HA H 14 3.941 3.941 3.840 0.101 19302 3186 1 5 . 1 1 14 14 VAL C C 14 173.591 173.591 175.007 -1.416 19302 3187 1 5 . 1 1 14 14 VAL CA C 14 59.095 59.095 61.836 -2.741 19302 3188 1 5 . 1 1 14 14 VAL CB C 14 32.976 32.976 31.528 1.448 19302 3189 1 5 . 1 1 14 14 VAL H H 14 8.128 8.128 8.143 -0.015 19302 3190 1 5 . 1 1 15 15 PRO HA H 15 4.042 4.042 4.659 -0.617 19302 3191 1 5 . 1 1 15 15 PRO C C 15 175.581 175.581 175.708 -0.127 19302 3192 1 5 . 1 1 15 15 PRO CA C 15 62.314 62.314 62.725 -0.411 19302 3193 1 5 . 1 1 15 15 PRO CB C 15 31.352 31.352 32.924 -1.572 19302 3194 1 5 . 1 1 16 16 LEU N N 16 122.170 122.170 123.365 -1.195 19302 3195 1 5 . 1 1 16 16 LEU HA H 16 4.073 4.073 4.577 -0.504 19302 3196 1 5 . 1 1 16 16 LEU C C 16 180.683 180.683 177.689 2.994 19302 3197 1 5 . 1 1 16 16 LEU CA C 16 56.442 56.442 54.781 1.661 19302 3198 1 5 . 1 1 16 16 LEU CB C 16 41.855 41.855 42.460 -0.605 19302 3199 1 5 . 1 1 16 16 LEU H H 16 8.070 8.070 8.425 -0.355 19302 3200 1 5 . 1 1 17 17 GLY N N 17 114.931 114.931 108.665 6.266 19302 3201 1 5 . 1 1 17 17 GLY C C 17 173.075 173.075 173.692 -0.617 19302 3202 1 5 . 1 1 17 17 GLY CA C 17 45.757 45.757 45.477 0.280 19302 3203 1 5 . 1 1 17 17 GLY H H 17 9.325 9.325 8.387 0.938 19302 3204 1 5 . 1 1 18 18 HIS N N 18 117.638 117.638 123.108 -5.470 19302 3205 1 5 . 1 1 18 18 HIS HA H 18 5.386 5.386 4.958 0.428 19302 3206 1 5 . 1 1 18 18 HIS C C 18 173.186 173.186 173.934 -0.748 19302 3207 1 5 . 1 1 18 18 HIS CA C 18 54.007 54.007 53.463 0.544 19302 3208 1 5 . 1 1 18 18 HIS CB C 18 31.691 31.691 31.960 -0.269 19302 3209 1 5 . 1 1 18 18 HIS H H 18 7.803 7.803 7.311 0.492 19302 3210 1 5 . 1 1 19 19 ILE N N 19 114.669 114.669 119.340 -4.671 19302 3211 1 5 . 1 1 19 19 ILE HA H 19 4.372 4.372 4.497 -0.125 19302 3212 1 5 . 1 1 19 19 ILE C C 19 174.449 174.449 175.359 -0.910 19302 3213 1 5 . 1 1 19 19 ILE CA C 19 60.368 60.368 58.623 1.744 19302 3214 1 5 . 1 1 19 19 ILE CB C 19 42.044 42.044 40.242 1.802 19302 3215 1 5 . 1 1 19 19 ILE H H 19 8.059 8.059 8.577 -0.518 19302 3216 1 5 . 1 1 20 20 VAL N N 20 124.211 124.211 119.425 4.786 19302 3217 1 5 . 1 1 20 20 VAL HA H 20 4.730 4.730 4.966 -0.236 19302 3218 1 5 . 1 1 20 20 VAL C C 20 174.104 174.104 174.701 -0.597 19302 3219 1 5 . 1 1 20 20 VAL CA C 20 61.322 61.322 60.434 0.888 19302 3220 1 5 . 1 1 20 20 VAL CB C 20 33.255 33.255 34.990 -1.735 19302 3221 1 5 . 1 1 20 20 VAL H H 20 7.525 7.525 8.096 -0.571 19302 3222 1 5 . 1 1 21 21 ALA N N 21 131.125 131.125 126.533 4.592 19302 3223 1 5 . 1 1 21 21 ALA HA H 21 5.095 5.095 5.421 -0.326 19302 3224 1 5 . 1 1 21 21 ALA C C 21 175.389 175.389 175.887 -0.498 19302 3225 1 5 . 1 1 21 21 ALA CA C 21 49.175 49.175 49.486 -0.311 19302 3226 1 5 . 1 1 21 21 ALA CB C 21 24.297 24.297 23.396 0.901 19302 3227 1 5 . 1 1 21 21 ALA H H 21 9.395 9.395 9.357 0.038 19302 3228 1 5 . 1 1 22 22 ASN N N 22 120.999 120.999 120.724 0.275 19302 3229 1 5 . 1 1 22 22 ASN HA H 22 4.805 4.805 4.761 0.044 19302 3230 1 5 . 1 1 22 22 ASN C C 22 176.336 176.336 177.396 -1.060 19302 3231 1 5 . 1 1 22 22 ASN CA C 22 54.289 54.289 53.303 0.986 19302 3232 1 5 . 1 1 22 22 ASN CB C 22 39.822 39.822 39.475 0.347 19302 3233 1 5 . 1 1 22 22 ASN H H 22 8.345 8.345 8.172 0.173 19302 3234 1 5 . 1 1 23 23 GLU N N 23 128.726 128.726 127.775 0.951 19302 3235 1 5 . 1 1 23 23 GLU HA H 23 3.927 3.927 3.980 -0.053 19302 3236 1 5 . 1 1 23 23 GLU C C 23 176.348 176.348 177.278 -0.930 19302 3237 1 5 . 1 1 23 23 GLU CA C 23 59.171 59.171 60.112 -0.941 19302 3238 1 5 . 1 1 23 23 GLU CB C 23 30.365 30.365 29.793 0.572 19302 3239 1 5 . 1 1 23 23 GLU H H 23 7.951 7.951 8.264 -0.313 19302 3240 1 5 . 1 1 24 24 LYS N N 24 119.166 119.166 117.895 1.271 19302 3241 1 5 . 1 1 24 24 LYS HA H 24 3.895 3.895 4.205 -0.310 19302 3242 1 5 . 1 1 24 24 LYS C C 24 176.782 176.782 178.921 -2.139 19302 3243 1 5 . 1 1 24 24 LYS CA C 24 58.379 58.379 58.171 0.208 19302 3244 1 5 . 1 1 24 24 LYS CB C 24 30.846 30.846 32.408 -1.562 19302 3245 1 5 . 1 1 24 24 LYS H H 24 8.583 8.583 8.284 0.299 19302 3246 1 5 . 1 1 25 25 TRP N N 25 118.053 118.053 121.698 -3.645 19302 3247 1 5 . 1 1 25 25 TRP HA H 25 4.326 4.326 4.527 -0.201 19302 3248 1 5 . 1 1 25 25 TRP C C 25 177.280 177.280 176.530 0.750 19302 3249 1 5 . 1 1 25 25 TRP CA C 25 56.722 56.722 59.080 -2.358 19302 3250 1 5 . 1 1 25 25 TRP CB C 25 29.506 29.506 29.694 -0.188 19302 3251 1 5 . 1 1 25 25 TRP H H 25 8.169 8.169 8.451 -0.282 19302 3252 1 5 . 1 1 26 26 ARG N N 26 127.838 127.838 118.889 8.949 19302 3253 1 5 . 1 1 26 26 ARG HA H 26 3.302 3.302 4.168 -0.866 19302 3254 1 5 . 1 1 26 26 ARG C C 26 177.506 177.506 178.656 -1.150 19302 3255 1 5 . 1 1 26 26 ARG CA C 26 59.147 59.147 58.621 0.526 19302 3256 1 5 . 1 1 26 26 ARG CB C 26 29.305 29.305 29.971 -0.666 19302 3257 1 5 . 1 1 26 26 ARG H H 26 7.879 7.879 7.561 0.318 19302 3258 1 5 . 1 1 27 27 GLY N N 27 116.455 116.455 108.209 8.246 19302 3259 1 5 . 1 1 27 27 GLY C C 27 174.037 174.037 173.575 0.462 19302 3260 1 5 . 1 1 27 27 GLY CA C 27 45.513 45.513 44.958 0.555 19302 3261 1 5 . 1 1 27 27 GLY H H 27 8.968 8.968 7.860 1.108 19302 3262 1 5 . 1 1 28 28 SER N N 28 115.316 115.316 115.460 -0.144 19302 3263 1 5 . 1 1 28 28 SER HA H 28 4.357 4.357 4.563 -0.206 19302 3264 1 5 . 1 1 28 28 SER C C 28 174.705 174.705 174.389 0.316 19302 3265 1 5 . 1 1 28 28 SER CA C 28 58.055 58.055 56.539 1.516 19302 3266 1 5 . 1 1 28 28 SER CB C 28 65.852 65.852 65.677 0.175 19302 3267 1 5 . 1 1 28 28 SER H H 28 7.718 7.718 7.826 -0.108 19302 3268 1 5 . 1 1 29 29 GLN N N 29 124.252 124.252 123.707 0.545 19302 3269 1 5 . 1 1 29 29 GLN HA H 29 3.940 3.940 4.260 -0.320 19302 3270 1 5 . 1 1 29 29 GLN C C 29 178.221 178.221 177.393 0.828 19302 3271 1 5 . 1 1 29 29 GLN CA C 29 59.678 59.678 58.401 1.277 19302 3272 1 5 . 1 1 29 29 GLN CB C 29 27.932 27.932 28.689 -0.756 19302 3273 1 5 . 1 1 29 29 GLN H H 29 8.987 8.987 8.794 0.193 19302 3274 1 5 . 1 1 30 30 LEU N N 30 119.516 119.516 120.670 -1.154 19302 3275 1 5 . 1 1 30 30 LEU HA H 30 3.649 3.649 4.133 -0.484 19302 3276 1 5 . 1 1 30 30 LEU C C 30 177.674 177.674 177.802 -0.128 19302 3277 1 5 . 1 1 30 30 LEU CA C 30 59.240 59.240 57.724 1.516 19302 3278 1 5 . 1 1 30 30 LEU CB C 30 42.377 42.377 40.958 1.419 19302 3279 1 5 . 1 1 30 30 LEU H H 30 8.469 8.469 7.530 0.939 19302 3280 1 5 . 1 1 31 31 ALA N N 31 118.887 118.887 119.303 -0.416 19302 3281 1 5 . 1 1 31 31 ALA HA H 31 3.787 3.787 4.215 -0.428 19302 3282 1 5 . 1 1 31 31 ALA C C 31 179.914 179.914 179.801 0.113 19302 3283 1 5 . 1 1 31 31 ALA CA C 31 55.346 55.346 54.896 0.450 19302 3284 1 5 . 1 1 31 31 ALA CB C 31 18.725 18.725 18.296 0.429 19302 3285 1 5 . 1 1 31 31 ALA H H 31 7.965 7.965 8.580 -0.615 19302 3286 1 5 . 1 1 32 32 GLN N N 32 119.187 119.187 116.366 2.821 19302 3287 1 5 . 1 1 32 32 GLN HA H 32 3.874 3.874 4.178 -0.304 19302 3288 1 5 . 1 1 32 32 GLN C C 32 179.160 179.160 178.979 0.181 19302 3289 1 5 . 1 1 32 32 GLN CA C 32 59.072 59.072 58.437 0.635 19302 3290 1 5 . 1 1 32 32 GLN CB C 32 28.676 28.676 28.649 0.027 19302 3291 1 5 . 1 1 32 32 GLN H H 32 8.292 8.292 7.799 0.493 19302 3292 1 5 . 1 1 33 33 GLU N N 33 117.845 117.845 121.139 -3.294 19302 3293 1 5 . 1 1 33 33 GLU HA H 33 3.932 3.932 4.038 -0.106 19302 3294 1 5 . 1 1 33 33 GLU C C 33 178.487 178.487 178.831 -0.344 19302 3295 1 5 . 1 1 33 33 GLU CA C 33 57.948 57.948 59.185 -1.237 19302 3296 1 5 . 1 1 33 33 GLU CB C 33 29.221 29.221 29.288 -0.067 19302 3297 1 5 . 1 1 33 33 GLU H H 33 8.157 8.157 8.145 0.012 19302 3298 1 5 . 1 1 34 34 MET N N 34 116.546 116.546 117.774 -1.228 19302 3299 1 5 . 1 1 34 34 MET HA H 34 3.911 3.911 4.028 -0.117 19302 3300 1 5 . 1 1 34 34 MET C C 34 176.992 176.992 177.486 -0.494 19302 3301 1 5 . 1 1 34 34 MET CA C 34 58.485 58.485 59.349 -0.864 19302 3302 1 5 . 1 1 34 34 MET CB C 34 34.045 34.045 32.428 1.617 19302 3303 1 5 . 1 1 34 34 MET H H 34 7.452 7.452 7.770 -0.318 19302 3304 1 5 . 1 1 35 35 GLN N N 35 118.259 118.259 116.565 1.694 19302 3305 1 5 . 1 1 35 35 GLN HA H 35 4.219 4.219 4.488 -0.269 19302 3306 1 5 . 1 1 35 35 GLN C C 35 176.544 176.544 177.604 -1.060 19302 3307 1 5 . 1 1 35 35 GLN CA C 35 58.039 58.039 57.263 0.776 19302 3308 1 5 . 1 1 35 35 GLN CB C 35 28.381 28.381 28.263 0.118 19302 3309 1 5 . 1 1 35 35 GLN H H 35 7.605 7.605 7.606 -0.001 19302 3310 1 5 . 1 1 36 36 GLY N N 36 110.354 110.354 104.854 5.500 19302 3311 1 5 . 1 1 36 36 GLY C C 36 174.291 174.291 174.456 -0.165 19302 3312 1 5 . 1 1 36 36 GLY CA C 36 45.517 45.517 45.513 0.004 19302 3313 1 5 . 1 1 36 36 GLY H H 36 8.178 8.178 8.127 0.051 19302 3314 1 5 . 1 1 37 37 LYS N N 37 119.406 119.406 118.122 1.284 19302 3315 1 5 . 1 1 37 37 LYS HA H 37 4.254 4.254 4.423 -0.169 19302 3316 1 5 . 1 1 37 37 LYS C C 37 175.387 175.387 176.079 -0.692 19302 3317 1 5 . 1 1 37 37 LYS CA C 37 57.173 57.173 56.298 0.875 19302 3318 1 5 . 1 1 37 37 LYS CB C 37 35.261 35.261 35.220 0.041 19302 3319 1 5 . 1 1 37 37 LYS H H 37 7.837 7.837 7.813 0.024 19302 3320 1 5 . 1 1 38 38 ILE N N 38 118.201 118.201 121.333 -3.132 19302 3321 1 5 . 1 1 38 38 ILE HA H 38 4.138 4.138 4.257 -0.119 19302 3322 1 5 . 1 1 38 38 ILE C C 38 172.937 172.937 173.944 -1.007 19302 3323 1 5 . 1 1 38 38 ILE CA C 38 59.055 59.055 58.853 0.202 19302 3324 1 5 . 1 1 38 38 ILE CB C 38 41.631 41.631 40.954 0.677 19302 3325 1 5 . 1 1 38 38 ILE H H 38 7.821 7.821 7.937 -0.116 19302 3326 1 5 . 1 1 39 39 LYS N N 39 122.826 122.826 123.150 -0.324 19302 3327 1 5 . 1 1 39 39 LYS HA H 39 4.187 4.187 4.631 -0.444 19302 3328 1 5 . 1 1 39 39 LYS C C 39 174.751 174.751 174.863 -0.112 19302 3329 1 5 . 1 1 39 39 LYS CA C 39 55.865 55.865 56.000 -0.135 19302 3330 1 5 . 1 1 39 39 LYS CB C 39 33.007 33.007 33.917 -0.910 19302 3331 1 5 . 1 1 39 39 LYS H H 39 7.126 7.126 8.608 -1.482 19302 3332 1 5 . 1 1 40 40 LEU N N 40 124.298 124.298 124.050 0.248 19302 3333 1 5 . 1 1 40 40 LEU HA H 40 4.667 4.667 5.342 -0.675 19302 3334 1 5 . 1 1 40 40 LEU C C 40 176.473 176.473 175.247 1.226 19302 3335 1 5 . 1 1 40 40 LEU CA C 40 54.607 54.607 53.079 1.528 19302 3336 1 5 . 1 1 40 40 LEU CB C 40 44.102 44.102 45.632 -1.530 19302 3337 1 5 . 1 1 40 40 LEU H H 40 8.102 8.102 8.468 -0.366 19302 3338 1 5 . 1 1 41 41 ILE N N 41 124.128 124.128 121.660 2.468 19302 3339 1 5 . 1 1 41 41 ILE HA H 41 4.092 4.092 3.712 0.380 19302 3340 1 5 . 1 1 41 41 ILE C C 41 174.360 174.360 173.862 0.498 19302 3341 1 5 . 1 1 41 41 ILE CA C 41 60.208 60.208 59.821 0.387 19302 3342 1 5 . 1 1 41 41 ILE CB C 41 40.867 40.867 42.429 -1.562 19302 3343 1 5 . 1 1 41 41 ILE H H 41 8.208 8.208 8.027 0.181 19302 3344 1 5 . 1 1 42 42 PHE N N 42 125.226 125.226 122.591 2.635 19302 3345 1 5 . 1 1 42 42 PHE HA H 42 5.501 5.501 5.697 -0.196 19302 3346 1 5 . 1 1 42 42 PHE C C 42 176.313 176.313 176.050 0.263 19302 3347 1 5 . 1 1 42 42 PHE CA C 42 57.720 57.720 55.962 1.758 19302 3348 1 5 . 1 1 42 42 PHE CB C 42 41.630 41.630 40.347 1.283 19302 3349 1 5 . 1 1 42 42 PHE H H 42 8.636 8.636 7.820 0.816 19302 3350 1 5 . 1 1 43 43 GLU N N 43 121.397 121.397 124.134 -2.737 19302 3351 1 5 . 1 1 43 43 GLU HA H 43 4.643 4.643 4.583 0.060 19302 3352 1 5 . 1 1 43 43 GLU C C 43 175.211 175.211 175.082 0.129 19302 3353 1 5 . 1 1 43 43 GLU CA C 43 55.131 55.131 55.272 -0.141 19302 3354 1 5 . 1 1 43 43 GLU CB C 43 33.367 33.367 33.431 -0.064 19302 3355 1 5 . 1 1 43 43 GLU H H 43 8.589 8.589 8.689 -0.100 19302 3356 1 5 . 1 1 44 44 ASP N N 44 124.759 124.759 125.927 -1.168 19302 3357 1 5 . 1 1 44 44 ASP HA H 44 4.708 4.708 4.640 0.068 19302 3358 1 5 . 1 1 44 44 ASP C C 44 177.308 177.308 176.125 1.183 19302 3359 1 5 . 1 1 44 44 ASP CA C 44 53.737 53.737 53.905 -0.168 19302 3360 1 5 . 1 1 44 44 ASP CB C 44 42.365 42.365 39.937 2.428 19302 3361 1 5 . 1 1 44 44 ASP H H 44 8.729 8.729 8.841 -0.112 19302 3362 1 5 . 1 1 45 45 GLY N N 45 108.414 108.414 112.838 -4.424 19302 3363 1 5 . 1 1 45 45 GLY C C 45 174.426 174.426 173.958 0.468 19302 3364 1 5 . 1 1 45 45 GLY CA C 45 46.367 46.367 45.450 0.917 19302 3365 1 5 . 1 1 45 45 GLY H H 45 8.564 8.564 7.940 0.624 19302 3366 1 5 . 1 1 46 46 LEU N N 46 119.025 119.025 121.128 -2.103 19302 3367 1 5 . 1 1 46 46 LEU HA H 46 4.356 4.356 4.192 0.164 19302 3368 1 5 . 1 1 46 46 LEU C C 46 177.414 177.414 176.580 0.834 19302 3369 1 5 . 1 1 46 46 LEU CA C 46 54.189 54.189 55.622 -1.433 19302 3370 1 5 . 1 1 46 46 LEU CB C 46 43.853 43.853 42.452 1.401 19302 3371 1 5 . 1 1 46 46 LEU H H 46 7.130 7.130 7.760 -0.630 19302 3372 1 5 . 1 1 47 47 THR N N 47 117.926 117.926 112.784 5.142 19302 3373 1 5 . 1 1 47 47 THR HA H 47 4.326 4.326 4.522 -0.196 19302 3374 1 5 . 1 1 47 47 THR CA C 47 67.458 67.458 62.810 4.648 19302 3375 1 5 . 1 1 47 47 THR H H 47 9.042 9.042 8.029 1.013 19302 3376 1 5 . 1 1 48 48 PRO HA H 48 4.163 4.163 4.192 -0.029 19302 3377 1 5 . 1 1 48 48 PRO CA C 48 62.301 62.301 63.435 -1.134 19302 3378 1 5 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.231 -0.707 19302 3379 1 5 . 1 1 49 49 ASP N N 49 116.671 116.671 117.943 -1.272 19302 3380 1 5 . 1 1 49 49 ASP HA H 49 4.336 4.336 4.117 0.219 19302 3381 1 5 . 1 1 49 49 ASP C C 49 174.082 174.082 175.093 -1.011 19302 3382 1 5 . 1 1 49 49 ASP CA C 49 58.985 58.985 55.432 3.553 19302 3383 1 5 . 1 1 49 49 ASP CB C 49 43.773 43.773 42.228 1.545 19302 3384 1 5 . 1 1 49 49 ASP H H 49 7.731 7.731 8.000 -0.269 19302 3385 1 5 . 1 1 50 50 PHE N N 50 109.227 109.227 117.047 -7.820 19302 3386 1 5 . 1 1 50 50 PHE HA H 50 5.488 5.488 5.473 0.015 19302 3387 1 5 . 1 1 50 50 PHE C C 50 175.293 175.293 174.497 0.796 19302 3388 1 5 . 1 1 50 50 PHE CA C 50 55.516 55.516 56.365 -0.849 19302 3389 1 5 . 1 1 50 50 PHE CB C 50 43.280 43.280 42.264 1.016 19302 3390 1 5 . 1 1 50 50 PHE H H 50 7.324 7.324 7.898 -0.574 19302 3391 1 5 . 1 1 51 51 TYR N N 51 122.688 122.688 124.170 -1.482 19302 3392 1 5 . 1 1 51 51 TYR HA H 51 4.717 4.717 4.811 -0.094 19302 3393 1 5 . 1 1 51 51 TYR C C 51 174.427 174.427 174.949 -0.522 19302 3394 1 5 . 1 1 51 51 TYR CA C 51 59.097 59.097 57.591 1.506 19302 3395 1 5 . 1 1 51 51 TYR CB C 51 39.893 39.893 39.511 0.382 19302 3396 1 5 . 1 1 51 51 TYR H H 51 9.944 9.944 9.126 0.818 19302 3397 1 5 . 1 1 52 52 LEU N N 52 121.948 121.948 128.319 -6.371 19302 3398 1 5 . 1 1 52 52 LEU HA H 52 4.231 4.231 4.136 0.095 19302 3399 1 5 . 1 1 52 52 LEU C C 52 175.771 175.771 176.425 -0.654 19302 3400 1 5 . 1 1 52 52 LEU CA C 52 55.320 55.320 56.096 -0.776 19302 3401 1 5 . 1 1 52 52 LEU CB C 52 42.874 42.874 42.684 0.189 19302 3402 1 5 . 1 1 52 52 LEU H H 52 8.225 8.225 8.000 0.225 19302 3403 1 5 . 1 1 53 53 SER N N 53 111.729 111.729 108.206 3.523 19302 3404 1 5 . 1 1 53 53 SER HA H 53 4.267 4.267 4.464 -0.197 19302 3405 1 5 . 1 1 53 53 SER C C 53 173.134 173.134 172.400 0.734 19302 3406 1 5 . 1 1 53 53 SER CA C 53 56.843 56.843 57.110 -0.267 19302 3407 1 5 . 1 1 53 53 SER CB C 53 64.642 64.642 63.577 1.065 19302 3408 1 5 . 1 1 53 53 SER H H 53 8.487 8.487 6.845 1.642 19302 3409 1 5 . 1 1 54 54 ASN N N 54 116.204 116.204 120.633 -4.429 19302 3410 1 5 . 1 1 54 54 ASN HA H 54 4.388 4.388 5.006 -0.618 19302 3411 1 5 . 1 1 54 54 ASN C C 54 175.095 175.095 175.054 0.041 19302 3412 1 5 . 1 1 54 54 ASN CA C 54 55.905 55.905 52.931 2.974 19302 3413 1 5 . 1 1 54 54 ASN CB C 54 37.761 37.761 37.093 0.668 19302 3414 1 5 . 1 1 54 54 ASN H H 54 8.682 8.682 8.675 0.007 19302 3415 1 5 . 1 1 55 55 ARG N N 55 112.605 112.605 116.912 -4.307 19302 3416 1 5 . 1 1 55 55 ARG HA H 55 4.607 4.607 4.352 0.255 19302 3417 1 5 . 1 1 55 55 ARG C C 55 175.506 175.506 174.192 1.314 19302 3418 1 5 . 1 1 55 55 ARG CA C 55 55.586 55.586 56.894 -1.308 19302 3419 1 5 . 1 1 55 55 ARG CB C 55 31.688 31.688 30.663 1.025 19302 3420 1 5 . 1 1 55 55 ARG H H 55 7.783 7.783 7.973 -0.190 19302 3421 1 5 . 1 1 56 56 CYS N N 56 122.261 122.261 119.702 2.559 19302 3422 1 5 . 1 1 56 56 CYS HA H 56 5.194 5.194 5.541 -0.347 19302 3423 1 5 . 1 1 56 56 CYS C C 56 172.619 172.619 173.282 -0.663 19302 3424 1 5 . 1 1 56 56 CYS CA C 56 58.099 58.099 57.753 0.346 19302 3425 1 5 . 1 1 56 56 CYS CB C 56 28.338 28.338 31.028 -2.690 19302 3426 1 5 . 1 1 56 56 CYS H H 56 7.379 7.379 7.502 -0.123 19302 3427 1 5 . 1 1 57 57 CYS N N 57 124.705 124.705 120.859 3.846 19302 3428 1 5 . 1 1 57 57 CYS HA H 57 5.380 5.380 5.258 0.122 19302 3429 1 5 . 1 1 57 57 CYS C C 57 160.640 160.640 172.573 -11.933 19302 3430 1 5 . 1 1 57 57 CYS CA C 57 54.521 54.521 55.160 -0.639 19302 3431 1 5 . 1 1 57 57 CYS CB C 57 32.506 32.506 31.645 0.861 19302 3432 1 5 . 1 1 57 57 CYS H H 57 8.980 8.980 8.312 0.668 19302 3433 1 5 . 1 1 58 58 ILE N N 58 118.279 118.279 118.747 -0.468 19302 3434 1 5 . 1 1 58 58 ILE HA H 58 5.181 5.181 4.961 0.220 19302 3435 1 5 . 1 1 58 58 ILE C C 58 175.707 175.707 174.041 1.666 19302 3436 1 5 . 1 1 58 58 ILE CA C 58 58.535 58.535 60.291 -1.756 19302 3437 1 5 . 1 1 58 58 ILE CB C 58 41.538 41.538 41.852 -0.314 19302 3438 1 5 . 1 1 58 58 ILE H H 58 8.960 8.960 8.599 0.361 19302 3439 1 5 . 1 1 59 59 LEU N N 59 130.422 130.422 128.481 1.941 19302 3440 1 5 . 1 1 59 59 LEU HA H 59 4.716 4.716 4.794 -0.078 19302 3441 1 5 . 1 1 59 59 LEU C C 59 172.275 172.275 174.439 -2.164 19302 3442 1 5 . 1 1 59 59 LEU CA C 59 53.756 53.756 52.804 0.952 19302 3443 1 5 . 1 1 59 59 LEU CB C 59 42.530 42.530 44.628 -2.098 19302 3444 1 5 . 1 1 59 59 LEU H H 59 9.078 9.078 8.950 0.128 19302 3445 1 5 . 1 1 60 60 TYR N N 60 129.820 129.820 128.852 0.968 19302 3446 1 5 . 1 1 60 60 TYR HA H 60 5.110 5.110 4.576 0.534 19302 3447 1 5 . 1 1 60 60 TYR C C 60 174.911 174.911 174.823 0.088 19302 3448 1 5 . 1 1 60 60 TYR CA C 60 56.689 56.689 58.285 -1.597 19302 3449 1 5 . 1 1 60 60 TYR CB C 60 41.643 41.643 38.861 2.782 19302 3450 1 5 . 1 1 60 60 TYR H H 60 10.120 10.120 8.631 1.489 19302 3451 1 5 . 1 1 61 61 VAL N N 61 132.504 132.504 128.334 4.170 19302 3452 1 5 . 1 1 61 61 VAL HA H 61 4.232 4.232 4.203 0.029 19302 3453 1 5 . 1 1 61 61 VAL C C 61 174.433 174.433 174.470 -0.037 19302 3454 1 5 . 1 1 61 61 VAL CA C 61 61.641 61.641 60.727 0.914 19302 3455 1 5 . 1 1 61 61 VAL CB C 61 33.305 33.305 34.902 -1.597 19302 3456 1 5 . 1 1 61 61 VAL H H 61 8.903 8.903 8.576 0.327 19302 3457 1 5 . 1 1 62 62 THR N N 62 116.863 116.863 115.590 1.273 19302 3458 1 5 . 1 1 62 62 THR HA H 62 4.024 4.024 4.607 -0.583 19302 3459 1 5 . 1 1 62 62 THR C C 62 175.118 175.118 174.901 0.217 19302 3460 1 5 . 1 1 62 62 THR CA C 62 60.650 60.650 59.784 0.866 19302 3461 1 5 . 1 1 62 62 THR CB C 62 72.134 72.134 71.988 0.146 19302 3462 1 5 . 1 1 62 62 THR H H 62 8.559 8.559 7.935 0.624 19302 3463 1 5 . 1 1 63 63 GLU N N 63 120.767 120.767 124.890 -4.123 19302 3464 1 5 . 1 1 63 63 GLU HA H 63 3.776 3.776 3.768 0.008 19302 3465 1 5 . 1 1 63 63 GLU C C 63 177.194 177.194 177.571 -0.377 19302 3466 1 5 . 1 1 63 63 GLU CA C 63 60.496 60.496 60.602 -0.106 19302 3467 1 5 . 1 1 63 63 GLU CB C 63 30.709 30.709 29.341 1.368 19302 3468 1 5 . 1 1 63 63 GLU H H 63 9.165 9.165 8.500 0.665 19302 3469 1 5 . 1 1 64 64 ALA N N 64 119.167 119.167 120.715 -1.548 19302 3470 1 5 . 1 1 64 64 ALA HA H 64 3.998 3.998 3.973 0.025 19302 3471 1 5 . 1 1 64 64 ALA C C 64 180.477 180.477 179.963 0.514 19302 3472 1 5 . 1 1 64 64 ALA CA C 64 54.912 54.912 54.849 0.063 19302 3473 1 5 . 1 1 64 64 ALA CB C 64 17.899 17.899 18.064 -0.165 19302 3474 1 5 . 1 1 64 64 ALA H H 64 7.919 7.919 7.894 0.025 19302 3475 1 5 . 1 1 65 65 ASP N N 65 119.995 119.995 118.736 1.259 19302 3476 1 5 . 1 1 65 65 ASP HA H 65 4.026 4.026 4.419 -0.393 19302 3477 1 5 . 1 1 65 65 ASP C C 65 177.891 177.891 177.961 -0.070 19302 3478 1 5 . 1 1 65 65 ASP CA C 65 57.412 57.412 56.594 0.818 19302 3479 1 5 . 1 1 65 65 ASP CB C 65 41.112 41.112 40.512 0.600 19302 3480 1 5 . 1 1 65 65 ASP H H 65 7.851 7.851 8.388 -0.537 19302 3481 1 5 . 1 1 66 66 LEU N N 66 118.585 118.585 121.439 -2.854 19302 3482 1 5 . 1 1 66 66 LEU HA H 66 3.813 3.813 3.914 -0.101 19302 3483 1 5 . 1 1 66 66 LEU C C 66 178.892 178.892 178.276 0.616 19302 3484 1 5 . 1 1 66 66 LEU CA C 66 56.943 56.943 57.520 -0.577 19302 3485 1 5 . 1 1 66 66 LEU CB C 66 41.700 41.700 42.041 -0.341 19302 3486 1 5 . 1 1 66 66 LEU H H 66 7.210 7.210 7.139 0.071 19302 3487 1 5 . 1 1 67 67 VAL N N 67 117.714 117.714 116.737 0.977 19302 3488 1 5 . 1 1 67 67 VAL HA H 67 3.088 3.088 3.458 -0.370 19302 3489 1 5 . 1 1 67 67 VAL C C 67 177.430 177.430 178.090 -0.660 19302 3490 1 5 . 1 1 67 67 VAL CA C 67 64.392 64.392 65.727 -1.335 19302 3491 1 5 . 1 1 67 67 VAL CB C 67 31.974 31.974 31.844 0.130 19302 3492 1 5 . 1 1 67 67 VAL H H 67 7.774 7.774 8.021 -0.247 19302 3493 1 5 . 1 1 68 68 ALA N N 68 120.210 120.210 120.078 0.132 19302 3494 1 5 . 1 1 68 68 ALA HA H 68 3.992 3.992 3.991 0.001 19302 3495 1 5 . 1 1 68 68 ALA C C 68 178.127 178.127 178.590 -0.463 19302 3496 1 5 . 1 1 68 68 ALA CA C 68 53.540 53.540 54.474 -0.934 19302 3497 1 5 . 1 1 68 68 ALA CB C 68 18.849 18.849 18.987 -0.138 19302 3498 1 5 . 1 1 68 68 ALA H H 68 7.336 7.336 7.611 -0.275 19302 3499 1 5 . 1 1 69 69 GLY N N 69 106.149 106.149 106.335 -0.186 19302 3500 1 5 . 1 1 69 69 GLY C C 69 173.298 173.298 173.658 -0.360 19302 3501 1 5 . 1 1 69 69 GLY CA C 69 45.057 45.057 44.912 0.145 19302 3502 1 5 . 1 1 69 69 GLY H H 69 7.143 7.143 8.549 -1.406 19302 3503 1 5 . 1 1 70 70 ASN N N 70 118.879 118.879 118.057 0.822 19302 3504 1 5 . 1 1 70 70 ASN HA H 70 4.855 4.855 4.863 -0.008 19302 3505 1 5 . 1 1 70 70 ASN C C 70 177.766 177.766 174.874 2.892 19302 3506 1 5 . 1 1 70 70 ASN CA C 70 52.611 52.611 53.118 -0.507 19302 3507 1 5 . 1 1 70 70 ASN CB C 70 38.356 38.356 39.449 -1.093 19302 3508 1 5 . 1 1 70 70 ASN H H 70 8.316 8.316 7.842 0.474 19302 3509 1 5 . 1 1 71 71 GLY N N 71 114.725 114.725 112.380 2.345 19302 3510 1 5 . 1 1 71 71 GLY C C 71 176.515 176.515 174.832 1.683 19302 3511 1 5 . 1 1 71 71 GLY CA C 71 47.575 47.575 45.162 2.413 19302 3512 1 5 . 1 1 71 71 GLY H H 71 8.812 8.812 8.639 0.173 19302 3513 1 5 . 1 1 72 72 TYR N N 72 118.594 118.594 123.728 -5.134 19302 3514 1 5 . 1 1 72 72 TYR HA H 72 4.182 4.182 4.303 -0.121 19302 3515 1 5 . 1 1 72 72 TYR C C 72 176.205 176.205 176.493 -0.288 19302 3516 1 5 . 1 1 72 72 TYR CA C 72 59.287 59.287 60.294 -1.008 19302 3517 1 5 . 1 1 72 72 TYR CB C 72 37.305 37.305 38.373 -1.068 19302 3518 1 5 . 1 1 72 72 TYR H H 72 8.067 8.067 8.310 -0.243 19302 3519 1 5 . 1 1 73 73 ARG N N 73 119.967 119.967 119.455 0.512 19302 3520 1 5 . 1 1 73 73 ARG HA H 73 3.261 3.261 3.986 -0.725 19302 3521 1 5 . 1 1 73 73 ARG C C 73 177.612 177.612 178.305 -0.693 19302 3522 1 5 . 1 1 73 73 ARG CA C 73 59.984 59.984 59.156 0.828 19302 3523 1 5 . 1 1 73 73 ARG CB C 73 29.286 29.286 29.355 -0.069 19302 3524 1 5 . 1 1 73 73 ARG H H 73 6.715 6.715 8.670 -1.955 19302 3525 1 5 . 1 1 74 74 LYS N N 74 116.928 116.928 118.531 -1.603 19302 3526 1 5 . 1 1 74 74 LYS HA H 74 3.728 3.728 3.952 -0.224 19302 3527 1 5 . 1 1 74 74 LYS C C 74 179.161 179.161 178.739 0.422 19302 3528 1 5 . 1 1 74 74 LYS CA C 74 59.770 59.770 59.565 0.205 19302 3529 1 5 . 1 1 74 74 LYS CB C 74 32.037 32.037 32.081 -0.044 19302 3530 1 5 . 1 1 74 74 LYS H H 74 7.169 7.169 7.578 -0.409 19302 3531 1 5 . 1 1 75 75 ARG N N 75 117.727 117.727 119.243 -1.516 19302 3532 1 5 . 1 1 75 75 ARG HA H 75 3.753 3.753 3.986 -0.233 19302 3533 1 5 . 1 1 75 75 ARG C C 75 177.176 177.176 178.589 -1.413 19302 3534 1 5 . 1 1 75 75 ARG CA C 75 59.596 59.596 58.850 0.746 19302 3535 1 5 . 1 1 75 75 ARG CB C 75 31.110 31.110 29.733 1.377 19302 3536 1 5 . 1 1 75 75 ARG H H 75 7.511 7.511 7.759 -0.248 19302 3537 1 5 . 1 1 76 76 LEU N N 76 118.105 118.105 119.028 -0.923 19302 3538 1 5 . 1 1 76 76 LEU HA H 76 3.575 3.575 4.025 -0.450 19302 3539 1 5 . 1 1 76 76 LEU C C 76 178.325 178.325 179.104 -0.779 19302 3540 1 5 . 1 1 76 76 LEU CA C 76 59.496 59.496 57.465 2.031 19302 3541 1 5 . 1 1 76 76 LEU CB C 76 41.124 41.124 41.916 -0.792 19302 3542 1 5 . 1 1 76 76 LEU H H 76 6.770 6.770 7.553 -0.783 19302 3543 1 5 . 1 1 77 77 VAL N N 77 117.854 117.854 119.029 -1.175 19302 3544 1 5 . 1 1 77 77 VAL HA H 77 3.243 3.243 3.635 -0.392 19302 3545 1 5 . 1 1 77 77 VAL C C 77 177.335 177.335 177.284 0.051 19302 3546 1 5 . 1 1 77 77 VAL CA C 77 66.596 66.596 66.419 0.177 19302 3547 1 5 . 1 1 77 77 VAL CB C 77 31.703 31.703 31.793 -0.090 19302 3548 1 5 . 1 1 77 77 VAL H H 77 7.800 7.800 7.649 0.151 19302 3549 1 5 . 1 1 78 78 ARG N N 78 118.783 118.783 120.266 -1.483 19302 3550 1 5 . 1 1 78 78 ARG HA H 78 3.872 3.872 4.036 -0.164 19302 3551 1 5 . 1 1 78 78 ARG C C 78 179.484 179.484 178.704 0.780 19302 3552 1 5 . 1 1 78 78 ARG CA C 78 59.337 59.337 59.057 0.280 19302 3553 1 5 . 1 1 78 78 ARG CB C 78 29.921 29.921 29.707 0.214 19302 3554 1 5 . 1 1 78 78 ARG H H 78 7.385 7.385 7.539 -0.154 19302 3555 1 5 . 1 1 79 79 VAL N N 79 118.747 118.747 118.476 0.271 19302 3556 1 5 . 1 1 79 79 VAL HA H 79 3.434 3.434 3.681 -0.247 19302 3557 1 5 . 1 1 79 79 VAL C C 79 177.902 177.902 177.384 0.518 19302 3558 1 5 . 1 1 79 79 VAL CA C 79 66.771 66.771 66.723 0.048 19302 3559 1 5 . 1 1 79 79 VAL CB C 79 31.327 31.327 31.441 -0.114 19302 3560 1 5 . 1 1 79 79 VAL H H 79 7.374 7.374 7.457 -0.083 19302 3561 1 5 . 1 1 80 80 ARG N N 80 122.868 122.868 118.982 3.886 19302 3562 1 5 . 1 1 80 80 ARG HA H 80 3.960 3.960 4.044 -0.084 19302 3563 1 5 . 1 1 80 80 ARG C C 80 177.893 177.893 178.216 -0.323 19302 3564 1 5 . 1 1 80 80 ARG CA C 80 58.256 58.256 58.953 -0.697 19302 3565 1 5 . 1 1 80 80 ARG CB C 80 29.141 29.141 29.984 -0.843 19302 3566 1 5 . 1 1 80 80 ARG H H 80 8.268 8.268 7.715 0.553 19302 3567 1 5 . 1 1 81 81 ASN N N 81 115.469 115.469 116.608 -1.139 19302 3568 1 5 . 1 1 81 81 ASN HA H 81 4.528 4.528 4.457 0.071 19302 3569 1 5 . 1 1 81 81 ASN C C 81 175.329 175.329 176.701 -1.372 19302 3570 1 5 . 1 1 81 81 ASN CA C 81 53.553 53.553 55.517 -1.964 19302 3571 1 5 . 1 1 81 81 ASN CB C 81 38.358 38.358 38.453 -0.095 19302 3572 1 5 . 1 1 81 81 ASN H H 81 7.878 7.878 8.105 -0.228 19302 3573 1 5 . 1 1 82 82 SER N N 82 117.226 117.226 113.824 3.402 19302 3574 1 5 . 1 1 82 82 SER HA H 82 4.350 4.350 4.206 0.144 19302 3575 1 5 . 1 1 82 82 SER C C 82 175.243 175.243 175.255 -0.012 19302 3576 1 5 . 1 1 82 82 SER CA C 82 59.045 59.045 60.722 -1.677 19302 3577 1 5 . 1 1 82 82 SER CB C 82 63.929 63.929 63.658 0.271 19302 3578 1 5 . 1 1 82 82 SER H H 82 7.528 7.528 7.773 -0.245 19302 3579 1 5 . 1 1 83 83 ASN N N 83 121.059 121.059 116.735 4.324 19302 3580 1 5 . 1 1 83 83 ASN HA H 83 4.402 4.402 4.778 -0.376 19302 3581 1 5 . 1 1 83 83 ASN C C 83 175.260 175.260 173.919 1.341 19302 3582 1 5 . 1 1 83 83 ASN CA C 83 54.583 54.583 53.129 1.454 19302 3583 1 5 . 1 1 83 83 ASN CB C 83 38.909 38.909 40.397 -1.488 19302 3584 1 5 . 1 1 83 83 ASN H H 83 8.348 8.348 8.140 0.208 19302 3585 1 5 . 1 1 84 84 ASN N N 84 117.070 117.070 118.375 -1.305 19302 3586 1 5 . 1 1 84 84 ASN HA H 84 4.422 4.422 4.876 -0.454 19302 3587 1 5 . 1 1 84 84 ASN C C 84 173.609 173.609 174.234 -0.625 19302 3588 1 5 . 1 1 84 84 ASN CA C 84 53.753 53.753 53.118 0.635 19302 3589 1 5 . 1 1 84 84 ASN CB C 84 38.551 38.551 38.776 -0.225 19302 3590 1 5 . 1 1 84 84 ASN H H 84 8.466 8.466 8.368 0.098 19302 3591 1 5 . 1 1 85 85 LEU N N 85 119.048 119.048 118.050 0.998 19302 3592 1 5 . 1 1 85 85 LEU HA H 85 4.518 4.518 4.611 -0.093 19302 3593 1 5 . 1 1 85 85 LEU C C 85 175.397 175.397 176.857 -1.460 19302 3594 1 5 . 1 1 85 85 LEU CA C 85 54.094 54.094 54.224 -0.130 19302 3595 1 5 . 1 1 85 85 LEU CB C 85 44.902 44.902 42.638 2.264 19302 3596 1 5 . 1 1 85 85 LEU H H 85 7.453 7.453 7.785 -0.332 19302 3597 1 5 . 1 1 86 86 LYS N N 86 125.959 125.959 120.640 5.319 19302 3598 1 5 . 1 1 86 86 LYS HA H 86 4.397 4.397 4.528 -0.131 19302 3599 1 5 . 1 1 86 86 LYS C C 86 175.209 175.209 176.206 -0.997 19302 3600 1 5 . 1 1 86 86 LYS CA C 86 54.934 54.934 54.919 0.015 19302 3601 1 5 . 1 1 86 86 LYS CB C 86 33.581 33.581 31.375 2.206 19302 3602 1 5 . 1 1 86 86 LYS H H 86 8.242 8.242 8.613 -0.371 19302 3603 1 5 . 1 1 87 87 GLY N N 87 113.359 113.359 111.066 2.293 19302 3604 1 5 . 1 1 87 87 GLY C C 87 171.780 171.780 172.811 -1.031 19302 3605 1 5 . 1 1 87 87 GLY CA C 87 44.894 44.894 43.881 1.013 19302 3606 1 5 . 1 1 87 87 GLY H H 87 8.840 8.840 8.183 0.657 19302 3607 1 5 . 1 1 88 88 ILE N N 88 125.743 125.743 123.415 2.328 19302 3608 1 5 . 1 1 88 88 ILE HA H 88 4.077 4.077 4.876 -0.799 19302 3609 1 5 . 1 1 88 88 ILE C C 88 174.254 174.254 175.122 -0.868 19302 3610 1 5 . 1 1 88 88 ILE CA C 88 60.766 60.766 60.677 0.089 19302 3611 1 5 . 1 1 88 88 ILE CB C 88 40.483 40.483 40.317 0.166 19302 3612 1 5 . 1 1 88 88 ILE H H 88 8.411 8.411 8.929 -0.518 19302 3613 1 5 . 1 1 89 89 VAL N N 89 129.556 129.556 127.750 1.806 19302 3614 1 5 . 1 1 89 89 VAL HA H 89 4.762 4.762 4.570 0.192 19302 3615 1 5 . 1 1 89 89 VAL C C 89 174.205 174.205 175.227 -1.022 19302 3616 1 5 . 1 1 89 89 VAL CA C 89 61.224 61.224 60.718 0.506 19302 3617 1 5 . 1 1 89 89 VAL CB C 89 31.924 31.924 31.064 0.860 19302 3618 1 5 . 1 1 89 89 VAL H H 89 8.859 8.859 9.099 -0.240 19302 3619 1 5 . 1 1 90 90 VAL N N 90 130.678 130.678 129.481 1.197 19302 3620 1 5 . 1 1 90 90 VAL HA H 90 4.804 4.804 4.329 0.475 19302 3621 1 5 . 1 1 90 90 VAL C C 90 173.650 173.650 174.732 -1.082 19302 3622 1 5 . 1 1 90 90 VAL CA C 90 60.478 60.478 61.324 -0.846 19302 3623 1 5 . 1 1 90 90 VAL CB C 90 33.666 33.666 33.365 0.300 19302 3624 1 5 . 1 1 90 90 VAL H H 90 8.747 8.747 8.511 0.236 19302 3625 1 5 . 1 1 91 91 VAL N N 91 122.793 122.793 125.847 -3.054 19302 3626 1 5 . 1 1 91 91 VAL HA H 91 5.019 5.019 4.475 0.544 19302 3627 1 5 . 1 1 91 91 VAL C C 91 173.241 173.241 174.545 -1.304 19302 3628 1 5 . 1 1 91 91 VAL CA C 91 56.898 56.898 59.718 -2.820 19302 3629 1 5 . 1 1 91 91 VAL CB C 91 35.349 35.349 35.353 -0.004 19302 3630 1 5 . 1 1 91 91 VAL H H 91 7.758 7.758 8.326 -0.568 19302 3631 1 5 . 1 1 92 92 GLU N N 92 125.925 125.925 124.691 1.234 19302 3632 1 5 . 1 1 92 92 GLU HA H 92 4.208 4.208 4.448 -0.240 19302 3633 1 5 . 1 1 92 92 GLU C C 92 173.665 173.665 175.317 -1.652 19302 3634 1 5 . 1 1 92 92 GLU CA C 92 55.740 55.740 54.631 1.109 19302 3635 1 5 . 1 1 92 92 GLU CB C 92 29.433 29.433 31.075 -1.642 19302 3636 1 5 . 1 1 92 92 GLU H H 92 7.501 7.501 8.275 -0.774 19302 3637 1 5 . 1 1 93 93 LYS N N 93 132.415 132.415 127.435 4.980 19302 3638 1 5 . 1 1 93 93 LYS HA H 93 4.033 4.033 4.097 -0.064 19302 3639 1 5 . 1 1 93 93 LYS C C 93 173.582 173.582 176.010 -2.428 19302 3640 1 5 . 1 1 93 93 LYS CA C 93 55.460 55.460 57.030 -1.570 19302 3641 1 5 . 1 1 93 93 LYS CB C 93 33.506 33.506 32.275 1.232 19302 3642 1 5 . 1 1 93 93 LYS H H 93 9.015 9.015 8.517 0.498 19302 3643 1 5 . 1 1 94 94 THR N N 94 118.315 118.315 116.996 1.319 19302 3644 1 5 . 1 1 94 94 THR HA H 94 4.600 4.600 4.577 0.023 19302 3645 1 5 . 1 1 94 94 THR C C 94 174.933 174.933 174.511 0.422 19302 3646 1 5 . 1 1 94 94 THR CA C 94 58.678 58.678 62.801 -4.123 19302 3647 1 5 . 1 1 94 94 THR CB C 94 72.561 72.561 71.138 1.423 19302 3648 1 5 . 1 1 94 94 THR H H 94 8.288 8.288 8.265 0.023 19302 3649 1 5 . 1 1 95 95 ARG N N 95 119.684 119.684 118.635 1.049 19302 3650 1 5 . 1 1 95 95 ARG HA H 95 3.960 3.960 4.607 -0.647 19302 3651 1 5 . 1 1 95 95 ARG C C 95 178.617 178.617 176.995 1.622 19302 3652 1 5 . 1 1 95 95 ARG CA C 95 59.240 59.240 57.389 1.851 19302 3653 1 5 . 1 1 95 95 ARG CB C 95 29.480 29.480 32.062 -2.582 19302 3654 1 5 . 1 1 95 95 ARG H H 95 8.719 8.719 9.089 -0.370 19302 3655 1 5 . 1 1 96 96 MET N N 96 115.656 115.656 120.859 -5.203 19302 3656 1 5 . 1 1 96 96 MET HA H 96 4.332 4.332 4.199 0.133 19302 3657 1 5 . 1 1 96 96 MET C C 96 177.312 177.312 177.929 -0.617 19302 3658 1 5 . 1 1 96 96 MET CA C 96 56.615 56.615 58.178 -1.563 19302 3659 1 5 . 1 1 96 96 MET CB C 96 32.723 32.723 32.512 0.211 19302 3660 1 5 . 1 1 96 96 MET H H 96 7.895 7.895 8.774 -0.879 19302 3661 1 5 . 1 1 97 97 SER N N 97 114.024 114.024 117.137 -3.113 19302 3662 1 5 . 1 1 97 97 SER HA H 97 4.648 4.648 4.188 0.460 19302 3663 1 5 . 1 1 97 97 SER C C 97 176.743 176.743 176.365 0.378 19302 3664 1 5 . 1 1 97 97 SER CA C 97 58.484 58.484 62.009 -3.525 19302 3665 1 5 . 1 1 97 97 SER CB C 97 65.103 65.103 62.450 2.653 19302 3666 1 5 . 1 1 97 97 SER H H 97 8.108 8.108 9.130 -1.022 19302 3667 1 5 . 1 1 98 98 GLU N N 98 124.701 124.701 122.005 2.696 19302 3668 1 5 . 1 1 98 98 GLU HA H 98 3.689 3.689 4.185 -0.496 19302 3669 1 5 . 1 1 98 98 GLU C C 98 178.994 178.994 178.080 0.914 19302 3670 1 5 . 1 1 98 98 GLU CA C 98 60.482 60.482 59.194 1.288 19302 3671 1 5 . 1 1 98 98 GLU CB C 98 29.096 29.096 28.219 0.877 19302 3672 1 5 . 1 1 98 98 GLU H H 98 8.229 8.229 8.678 -0.449 19302 3673 1 5 . 1 1 99 99 GLN N N 99 117.637 117.637 117.586 0.051 19302 3674 1 5 . 1 1 99 99 GLN HA H 99 4.008 4.008 4.247 -0.239 19302 3675 1 5 . 1 1 99 99 GLN C C 99 176.402 176.402 177.772 -1.370 19302 3676 1 5 . 1 1 99 99 GLN CA C 99 58.127 58.127 58.553 -0.426 19302 3677 1 5 . 1 1 99 99 GLN CB C 99 28.135 28.135 29.888 -1.753 19302 3678 1 5 . 1 1 99 99 GLN H H 99 8.464 8.464 7.723 0.741 19302 3679 1 5 . 1 1 100 100 TYR N N 100 118.538 118.538 116.353 2.185 19302 3680 1 5 . 1 1 100 100 TYR HA H 100 4.512 4.512 4.737 -0.225 19302 3681 1 5 . 1 1 100 100 TYR C C 100 176.132 176.132 176.110 0.022 19302 3682 1 5 . 1 1 100 100 TYR CA C 100 58.029 58.029 57.047 0.982 19302 3683 1 5 . 1 1 100 100 TYR CB C 100 39.600 39.600 39.980 -0.380 19302 3684 1 5 . 1 1 100 100 TYR H H 100 7.688 7.688 8.193 -0.505 19302 3685 1 5 . 1 1 101 101 PHE N N 101 121.713 121.713 122.740 -1.027 19302 3686 1 5 . 1 1 101 101 PHE HA H 101 4.098 4.098 4.443 -0.345 19302 3687 1 5 . 1 1 101 101 PHE C C 101 173.115 173.115 173.875 -0.760 19302 3688 1 5 . 1 1 101 101 PHE CA C 101 63.389 63.389 62.331 1.058 19302 3689 1 5 . 1 1 101 101 PHE CB C 101 37.438 37.438 36.896 0.542 19302 3690 1 5 . 1 1 101 101 PHE H H 101 7.916 7.916 9.239 -1.323 19302 3691 1 5 . 1 1 102 102 PRO HA H 102 4.078 4.078 3.678 0.400 19302 3692 1 5 . 1 1 102 102 PRO C C 102 179.371 179.371 178.039 1.332 19302 3693 1 5 . 1 1 102 102 PRO CA C 102 67.173 67.173 65.626 1.547 19302 3694 1 5 . 1 1 102 102 PRO CB C 102 30.497 30.497 30.515 -0.018 19302 3695 1 5 . 1 1 103 103 ALA N N 103 119.259 119.259 120.266 -1.007 19302 3696 1 5 . 1 1 103 103 ALA HA H 103 4.043 4.043 3.916 0.127 19302 3697 1 5 . 1 1 103 103 ALA C C 103 180.693 180.693 179.674 1.019 19302 3698 1 5 . 1 1 103 103 ALA CA C 103 54.322 54.322 54.783 -0.462 19302 3699 1 5 . 1 1 103 103 ALA CB C 103 18.420 18.420 17.901 0.519 19302 3700 1 5 . 1 1 103 103 ALA H H 103 8.030 8.030 7.819 0.211 19302 3701 1 5 . 1 1 104 104 LEU N N 104 121.207 121.207 120.002 1.205 19302 3702 1 5 . 1 1 104 104 LEU HA H 104 4.164 4.164 3.941 0.223 19302 3703 1 5 . 1 1 104 104 LEU C C 104 179.295 179.295 178.404 0.891 19302 3704 1 5 . 1 1 104 104 LEU CA C 104 58.235 58.235 58.577 -0.342 19302 3705 1 5 . 1 1 104 104 LEU CB C 104 41.154 41.154 41.959 -0.805 19302 3706 1 5 . 1 1 104 104 LEU H H 104 7.161 7.161 7.502 -0.341 19302 3707 1 5 . 1 1 105 105 GLN N N 105 123.941 123.941 118.617 5.324 19302 3708 1 5 . 1 1 105 105 GLN HA H 105 3.451 3.451 3.830 -0.379 19302 3709 1 5 . 1 1 105 105 GLN C C 105 176.984 176.984 178.596 -1.612 19302 3710 1 5 . 1 1 105 105 GLN CA C 105 59.986 59.986 58.869 1.117 19302 3711 1 5 . 1 1 105 105 GLN CB C 105 27.878 27.878 28.259 -0.381 19302 3712 1 5 . 1 1 105 105 GLN H H 105 8.836 8.836 7.857 0.979 19302 3713 1 5 . 1 1 106 106 LYS N N 106 119.943 119.943 119.969 -0.026 19302 3714 1 5 . 1 1 106 106 LYS HA H 106 3.752 3.752 4.012 -0.260 19302 3715 1 5 . 1 1 106 106 LYS C C 106 177.834 177.834 178.664 -0.830 19302 3716 1 5 . 1 1 106 106 LYS CA C 106 60.337 60.337 59.021 1.316 19302 3717 1 5 . 1 1 106 106 LYS CB C 106 32.380 32.380 32.071 0.309 19302 3718 1 5 . 1 1 106 106 LYS H H 106 7.692 7.692 7.902 -0.210 19302 3719 1 5 . 1 1 107 107 PHE N N 107 117.769 117.769 119.187 -1.418 19302 3720 1 5 . 1 1 107 107 PHE HA H 107 4.378 4.378 4.157 0.221 19302 3721 1 5 . 1 1 107 107 PHE C C 107 176.089 176.089 177.340 -1.251 19302 3722 1 5 . 1 1 107 107 PHE CA C 107 60.327 60.327 62.729 -2.402 19302 3723 1 5 . 1 1 107 107 PHE CB C 107 40.477 40.477 39.338 1.139 19302 3724 1 5 . 1 1 107 107 PHE H H 107 7.514 7.514 8.103 -0.589 19302 3725 1 5 . 1 1 108 108 THR N N 108 112.966 112.966 114.454 -1.488 19302 3726 1 5 . 1 1 108 108 THR HA H 108 3.196 3.196 3.968 -0.772 19302 3727 1 5 . 1 1 108 108 THR C C 108 174.656 174.656 177.086 -2.430 19302 3728 1 5 . 1 1 108 108 THR CA C 108 67.885 67.885 66.540 1.345 19302 3729 1 5 . 1 1 108 108 THR CB C 108 69.292 69.292 68.559 0.733 19302 3730 1 5 . 1 1 108 108 THR H H 108 8.541 8.541 8.962 -0.421 19302 3731 1 5 . 1 1 109 109 VAL N N 109 118.515 118.515 121.546 -3.031 19302 3732 1 5 . 1 1 109 109 VAL HA H 109 3.953 3.953 3.742 0.211 19302 3733 1 5 . 1 1 109 109 VAL C C 109 178.009 178.009 177.011 0.998 19302 3734 1 5 . 1 1 109 109 VAL CA C 109 65.110 65.110 66.538 -1.428 19302 3735 1 5 . 1 1 109 109 VAL CB C 109 32.327 32.327 31.620 0.707 19302 3736 1 5 . 1 1 109 109 VAL H H 109 8.065 8.065 7.549 0.516 19302 3737 1 5 . 1 1 110 110 LEU N N 110 118.627 118.627 118.654 -0.027 19302 3738 1 5 . 1 1 110 110 LEU HA H 110 4.157 4.157 4.051 0.106 19302 3739 1 5 . 1 1 110 110 LEU C C 110 178.351 178.351 178.734 -0.383 19302 3740 1 5 . 1 1 110 110 LEU CA C 110 57.133 57.133 57.260 -0.127 19302 3741 1 5 . 1 1 110 110 LEU CB C 110 40.985 40.985 41.911 -0.926 19302 3742 1 5 . 1 1 110 110 LEU H H 110 7.224 7.224 7.783 -0.559 19302 3743 1 5 . 1 1 111 111 ASP N N 111 119.092 119.092 118.644 0.448 19302 3744 1 5 . 1 1 111 111 ASP HA H 111 4.325 4.325 4.597 -0.272 19302 3745 1 5 . 1 1 111 111 ASP C C 111 178.644 178.644 177.777 0.867 19302 3746 1 5 . 1 1 111 111 ASP CA C 111 57.243 57.243 56.621 0.622 19302 3747 1 5 . 1 1 111 111 ASP CB C 111 39.330 39.330 41.825 -2.495 19302 3748 1 5 . 1 1 111 111 ASP H H 111 7.719 7.719 8.599 -0.880 19302 3749 1 5 . 1 1 112 112 LEU N N 112 114.990 114.990 117.820 -2.830 19302 3750 1 5 . 1 1 112 112 LEU HA H 112 4.044 4.044 4.465 -0.421 19302 3751 1 5 . 1 1 112 112 LEU C C 112 177.936 177.936 177.287 0.649 19302 3752 1 5 . 1 1 112 112 LEU CA C 112 55.507 55.507 54.480 1.026 19302 3753 1 5 . 1 1 112 112 LEU CB C 112 42.142 42.142 43.594 -1.452 19302 3754 1 5 . 1 1 112 112 LEU H H 112 7.306 7.306 8.053 -0.747 19302 3755 1 5 . 1 1 113 113 GLY N N 113 108.097 108.097 107.505 0.592 19302 3756 1 5 . 1 1 113 113 GLY C C 113 175.161 175.161 174.338 0.823 19302 3757 1 5 . 1 1 113 113 GLY CA C 113 47.080 47.080 46.353 0.727 19302 3758 1 5 . 1 1 113 113 GLY H H 113 6.651 6.651 8.071 -1.420 19302 3759 1 5 . 1 1 114 114 MET N N 114 119.916 119.916 117.533 2.383 19302 3760 1 5 . 1 1 114 114 MET HA H 114 4.441 4.441 4.523 -0.082 19302 3761 1 5 . 1 1 114 114 MET C C 114 174.467 174.467 176.100 -1.633 19302 3762 1 5 . 1 1 114 114 MET CA C 114 55.303 55.303 55.159 0.144 19302 3763 1 5 . 1 1 114 114 MET CB C 114 35.820 35.820 34.751 1.069 19302 3764 1 5 . 1 1 114 114 MET H H 114 8.107 8.107 7.568 0.539 19302 3765 1 5 . 1 1 115 115 VAL N N 115 120.592 120.592 120.987 -0.395 19302 3766 1 5 . 1 1 115 115 VAL HA H 115 3.723 3.723 4.256 -0.533 19302 3767 1 5 . 1 1 115 115 VAL C C 115 173.084 173.084 174.372 -1.288 19302 3768 1 5 . 1 1 115 115 VAL CA C 115 62.921 62.921 61.874 1.047 19302 3769 1 5 . 1 1 115 115 VAL CB C 115 33.192 33.192 31.651 1.541 19302 3770 1 5 . 1 1 115 115 VAL H H 115 7.414 7.414 8.082 -0.668 19302 3771 1 5 . 1 1 116 116 LEU N N 116 128.303 128.303 129.752 -1.449 19302 3772 1 5 . 1 1 116 116 LEU HA H 116 5.176 5.176 5.031 0.145 19302 3773 1 5 . 1 1 116 116 LEU C C 116 175.304 175.304 176.574 -1.270 19302 3774 1 5 . 1 1 116 116 LEU CA C 116 53.335 53.335 54.130 -0.795 19302 3775 1 5 . 1 1 116 116 LEU CB C 116 45.512 45.512 43.878 1.634 19302 3776 1 5 . 1 1 116 116 LEU H H 116 7.872 7.872 8.704 -0.832 19302 3777 1 5 . 1 1 117 117 LEU N N 117 129.470 129.470 125.474 3.996 19302 3778 1 5 . 1 1 117 117 LEU HA H 117 4.922 4.922 4.774 0.148 19302 3779 1 5 . 1 1 117 117 LEU C C 117 173.512 173.512 174.745 -1.233 19302 3780 1 5 . 1 1 117 117 LEU CA C 117 51.061 51.061 53.057 -1.996 19302 3781 1 5 . 1 1 117 117 LEU CB C 117 43.824 43.824 43.949 -0.125 19302 3782 1 5 . 1 1 117 117 LEU H H 117 9.331 9.331 8.357 0.974 19302 3783 1 5 . 1 1 118 118 PRO HA H 118 5.167 5.167 4.545 0.622 19302 3784 1 5 . 1 1 118 118 PRO C C 118 176.784 176.784 176.434 0.350 19302 3785 1 5 . 1 1 118 118 PRO CA C 118 61.019 61.019 62.586 -1.567 19302 3786 1 5 . 1 1 118 118 PRO CB C 118 32.806 32.806 32.250 0.556 19302 3787 1 5 . 1 1 119 119 VAL N N 119 114.345 114.345 115.674 -1.329 19302 3788 1 5 . 1 1 119 119 VAL HA H 119 4.507 4.507 4.435 0.072 19302 3789 1 5 . 1 1 119 119 VAL C C 119 174.881 174.881 174.727 0.154 19302 3790 1 5 . 1 1 119 119 VAL CA C 119 59.150 59.150 61.137 -1.987 19302 3791 1 5 . 1 1 119 119 VAL CB C 119 36.847 36.847 32.660 4.187 19302 3792 1 5 . 1 1 119 119 VAL H H 119 8.775 8.775 8.049 0.726 19302 3793 1 5 . 1 1 120 120 ALA N N 120 121.458 121.458 118.227 3.231 19302 3794 1 5 . 1 1 120 120 ALA HA H 120 4.335 4.335 4.453 -0.118 19302 3795 1 5 . 1 1 120 120 ALA C C 120 177.637 177.637 175.364 2.273 19302 3796 1 5 . 1 1 120 120 ALA CA C 120 52.662 52.662 52.474 0.188 19302 3797 1 5 . 1 1 120 120 ALA CB C 120 19.817 19.817 19.654 0.163 19302 3798 1 5 . 1 1 120 120 ALA H H 120 8.740 8.740 8.482 0.258 19302 3799 1 5 . 1 1 121 121 SER N N 121 106.201 106.201 113.388 -7.187 19302 3800 1 5 . 1 1 121 121 SER HA H 121 4.523 4.523 4.822 -0.299 19302 3801 1 5 . 1 1 121 121 SER C C 121 173.940 173.940 174.702 -0.762 19302 3802 1 5 . 1 1 121 121 SER CA C 121 56.668 56.668 56.664 0.004 19302 3803 1 5 . 1 1 121 121 SER CB C 121 66.057 66.057 65.245 0.812 19302 3804 1 5 . 1 1 121 121 SER H H 121 7.147 7.147 7.701 -0.554 19302 3805 1 5 . 1 1 122 122 GLN N N 122 120.942 120.942 119.755 1.187 19302 3806 1 5 . 1 1 122 122 GLN HA H 122 4.063 4.063 4.374 -0.311 19302 3807 1 5 . 1 1 122 122 GLN C C 122 178.350 178.350 177.828 0.522 19302 3808 1 5 . 1 1 122 122 GLN CA C 122 59.436 59.436 58.262 1.174 19302 3809 1 5 . 1 1 122 122 GLN CB C 122 29.018 29.018 29.124 -0.106 19302 3810 1 5 . 1 1 122 122 GLN H H 122 9.055 9.055 8.935 0.120 19302 3811 1 5 . 1 1 123 123 MET N N 123 118.978 118.978 117.218 1.760 19302 3812 1 5 . 1 1 123 123 MET HA H 123 3.947 3.947 4.217 -0.270 19302 3813 1 5 . 1 1 123 123 MET C C 123 179.161 179.161 178.176 0.985 19302 3814 1 5 . 1 1 123 123 MET CA C 123 58.802 58.802 59.236 -0.434 19302 3815 1 5 . 1 1 123 123 MET CB C 123 31.305 31.305 32.168 -0.863 19302 3816 1 5 . 1 1 123 123 MET H H 123 7.950 7.950 7.967 -0.017 19302 3817 1 5 . 1 1 124 124 GLU N N 124 121.747 121.747 119.861 1.886 19302 3818 1 5 . 1 1 124 124 GLU HA H 124 3.897 3.897 3.910 -0.013 19302 3819 1 5 . 1 1 124 124 GLU C C 124 179.272 179.272 178.593 0.679 19302 3820 1 5 . 1 1 124 124 GLU CA C 124 59.686 59.686 59.647 0.039 19302 3821 1 5 . 1 1 124 124 GLU CB C 124 29.943 29.943 28.286 1.657 19302 3822 1 5 . 1 1 124 124 GLU H H 124 7.729 7.729 8.235 -0.506 19302 3823 1 5 . 1 1 125 125 ALA N N 125 121.208 121.208 121.702 -0.494 19302 3824 1 5 . 1 1 125 125 ALA HA H 125 3.827 3.827 3.947 -0.120 19302 3825 1 5 . 1 1 125 125 ALA C C 125 178.068 178.068 179.425 -1.357 19302 3826 1 5 . 1 1 125 125 ALA CA C 125 54.330 54.330 55.635 -1.304 19302 3827 1 5 . 1 1 125 125 ALA CB C 125 19.232 19.232 18.302 0.930 19302 3828 1 5 . 1 1 125 125 ALA H H 125 8.083 8.083 7.726 0.357 19302 3829 1 5 . 1 1 126 126 SER N N 126 114.095 114.095 114.618 -0.523 19302 3830 1 5 . 1 1 126 126 SER HA H 126 3.527 3.527 4.012 -0.485 19302 3831 1 5 . 1 1 126 126 SER C C 126 175.129 175.129 176.761 -1.632 19302 3832 1 5 . 1 1 126 126 SER CA C 126 62.161 62.161 61.741 0.420 19302 3833 1 5 . 1 1 126 126 SER CB C 126 69.705 69.705 62.909 6.796 19302 3834 1 5 . 1 1 126 126 SER H H 126 7.975 7.975 7.788 0.187 19302 3835 1 5 . 1 1 127 127 CYS N N 127 119.210 119.210 119.904 -0.694 19302 3836 1 5 . 1 1 127 127 CYS HA H 127 3.819 3.819 4.416 -0.597 19302 3837 1 5 . 1 1 127 127 CYS C C 127 177.016 177.016 176.326 0.690 19302 3838 1 5 . 1 1 127 127 CYS CA C 127 62.351 62.351 61.369 0.982 19302 3839 1 5 . 1 1 127 127 CYS CB C 127 26.714 26.714 26.954 -0.240 19302 3840 1 5 . 1 1 127 127 CYS H H 127 6.869 6.869 8.614 -1.745 19302 3841 1 5 . 1 1 128 128 LEU N N 128 122.342 122.342 123.180 -0.838 19302 3842 1 5 . 1 1 128 128 LEU HA H 128 3.947 3.947 4.293 -0.346 19302 3843 1 5 . 1 1 128 128 LEU C C 128 178.010 178.010 178.301 -0.291 19302 3844 1 5 . 1 1 128 128 LEU CA C 128 57.860 57.860 58.025 -0.165 19302 3845 1 5 . 1 1 128 128 LEU CB C 128 41.951 41.951 41.775 0.176 19302 3846 1 5 . 1 1 128 128 LEU H H 128 7.527 7.527 8.527 -1.000 19302 3847 1 5 . 1 1 129 129 VAL N N 129 119.021 119.021 119.873 -0.852 19302 3848 1 5 . 1 1 129 129 VAL HA H 129 3.035 3.035 3.633 -0.598 19302 3849 1 5 . 1 1 129 129 VAL C C 129 177.035 177.035 178.037 -1.002 19302 3850 1 5 . 1 1 129 129 VAL CA C 129 67.656 67.656 65.994 1.662 19302 3851 1 5 . 1 1 129 129 VAL CB C 129 30.898 30.898 30.978 -0.080 19302 3852 1 5 . 1 1 129 129 VAL H H 129 8.360 8.360 8.791 -0.431 19302 3853 1 5 . 1 1 130 130 ILE N N 130 117.913 117.913 119.495 -1.582 19302 3854 1 5 . 1 1 130 130 ILE HA H 130 3.292 3.292 3.487 -0.195 19302 3855 1 5 . 1 1 130 130 ILE C C 130 177.834 177.834 177.539 0.295 19302 3856 1 5 . 1 1 130 130 ILE CA C 130 64.592 64.592 65.218 -0.626 19302 3857 1 5 . 1 1 130 130 ILE CB C 130 36.970 36.970 37.638 -0.668 19302 3858 1 5 . 1 1 130 130 ILE H H 130 7.331 7.331 7.176 0.155 19302 3859 1 5 . 1 1 131 131 GLN N N 131 120.359 120.359 118.922 1.437 19302 3860 1 5 . 1 1 131 131 GLN HA H 131 3.846 3.846 3.892 -0.046 19302 3861 1 5 . 1 1 131 131 GLN C C 131 178.708 178.708 178.403 0.305 19302 3862 1 5 . 1 1 131 131 GLN CA C 131 59.310 59.310 59.121 0.189 19302 3863 1 5 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.252 -0.150 19302 3864 1 5 . 1 1 131 131 GLN H H 131 7.505 7.505 7.595 -0.090 19302 3865 1 5 . 1 1 132 132 LEU N N 132 120.310 120.310 118.980 1.330 19302 3866 1 5 . 1 1 132 132 LEU HA H 132 3.848 3.848 3.889 -0.041 19302 3867 1 5 . 1 1 132 132 LEU C C 132 179.854 179.854 178.934 0.920 19302 3868 1 5 . 1 1 132 132 LEU CA C 132 57.975 57.975 58.007 -0.032 19302 3869 1 5 . 1 1 132 132 LEU CB C 132 41.902 41.902 41.974 -0.072 19302 3870 1 5 . 1 1 132 132 LEU H H 132 8.270 8.270 7.449 0.821 19302 3871 1 5 . 1 1 133 133 VAL N N 133 120.909 120.909 119.320 1.589 19302 3872 1 5 . 1 1 133 133 VAL HA H 133 4.004 4.004 3.766 0.238 19302 3873 1 5 . 1 1 133 133 VAL C C 133 178.791 178.791 178.897 -0.106 19302 3874 1 5 . 1 1 133 133 VAL CA C 133 58.026 58.026 65.421 -7.395 19302 3875 1 5 . 1 1 133 133 VAL CB C 133 32.475 32.475 30.867 1.608 19302 3876 1 5 . 1 1 133 133 VAL H H 133 8.162 8.162 7.479 0.683 19302 3877 1 5 . 1 1 134 134 GLN N N 134 120.073 120.073 118.156 1.917 19302 3878 1 5 . 1 1 134 134 GLN HA H 134 3.943 3.943 3.892 0.051 19302 3879 1 5 . 1 1 134 134 GLN C C 134 178.374 178.374 178.496 -0.122 19302 3880 1 5 . 1 1 134 134 GLN CA C 134 57.164 57.164 58.873 -1.709 19302 3881 1 5 . 1 1 134 134 GLN CB C 134 29.632 29.632 28.262 1.370 19302 3882 1 5 . 1 1 134 134 GLN H H 134 7.837 7.837 8.265 -0.428 19302 3883 1 5 . 1 1 135 135 GLU N N 135 118.639 118.639 118.906 -0.267 19302 3884 1 5 . 1 1 135 135 GLU HA H 135 3.902 3.902 4.079 -0.177 19302 3885 1 5 . 1 1 135 135 GLU C C 135 177.986 177.986 179.445 -1.459 19302 3886 1 5 . 1 1 135 135 GLU CA C 135 58.266 58.266 58.985 -0.719 19302 3887 1 5 . 1 1 135 135 GLU CB C 135 29.593 29.593 29.364 0.229 19302 3888 1 5 . 1 1 135 135 GLU H H 135 7.989 7.989 7.997 -0.008 19302 3889 1 5 . 1 1 136 136 GLN N N 136 118.352 118.352 116.858 1.494 19302 3890 1 5 . 1 1 136 136 GLN HA H 136 3.994 3.994 4.092 -0.098 19302 3891 1 5 . 1 1 136 136 GLN C C 136 176.807 176.807 177.359 -0.552 19302 3892 1 5 . 1 1 136 136 GLN CA C 136 56.762 56.762 58.298 -1.536 19302 3893 1 5 . 1 1 136 136 GLN CB C 136 28.835 28.835 28.884 -0.049 19302 3894 1 5 . 1 1 136 136 GLN H H 136 7.845 7.845 7.849 -0.004 19302 3895 1 5 . 1 1 137 137 THR N N 137 113.953 113.953 111.283 2.670 19302 3896 1 5 . 1 1 137 137 THR HA H 137 4.163 4.163 4.308 -0.145 19302 3897 1 5 . 1 1 137 137 THR C C 137 174.267 174.267 173.758 0.509 19302 3898 1 5 . 1 1 137 137 THR CA C 137 64.611 64.611 63.267 1.344 19302 3899 1 5 . 1 1 137 137 THR CB C 137 69.280 69.280 69.300 -0.020 19302 3900 1 5 . 1 1 137 137 THR H H 137 7.847 7.847 7.852 -0.005 19302 3901 1 5 . 1 1 138 138 LYS N N 138 122.289 122.289 123.378 -1.089 19302 3902 1 5 . 1 1 138 138 LYS C C 138 176.119 176.119 175.825 0.294 19302 3903 1 5 . 1 1 138 138 LYS CA C 138 56.329 56.329 56.879 -0.550 19302 3904 1 5 . 1 1 138 138 LYS CB C 138 32.891 32.891 32.727 0.164 19302 3905 1 5 . 1 1 138 138 LYS H H 138 7.607 7.607 7.327 0.280 19302 3906 1 6 . 1 1 2 2 GLU N N 2 123.078 123.078 123.019 0.059 19302 3907 1 6 . 1 1 2 2 GLU HA H 2 4.160 4.160 4.397 -0.237 19302 3908 1 6 . 1 1 2 2 GLU C C 2 175.765 175.765 175.871 -0.106 19302 3909 1 6 . 1 1 2 2 GLU CA C 2 56.353 56.353 56.485 -0.132 19302 3910 1 6 . 1 1 2 2 GLU CB C 2 30.041 30.041 30.086 -0.045 19302 3911 1 6 . 1 1 2 2 GLU H H 2 8.313 8.313 8.444 -0.131 19302 3912 1 6 . 1 1 3 3 LYS N N 3 124.091 124.091 124.496 -0.405 19302 3913 1 6 . 1 1 3 3 LYS HA H 3 4.013 4.013 4.401 -0.388 19302 3914 1 6 . 1 1 3 3 LYS C C 3 174.713 174.713 175.942 -1.229 19302 3915 1 6 . 1 1 3 3 LYS CA C 3 56.240 56.240 55.690 0.551 19302 3916 1 6 . 1 1 3 3 LYS CB C 3 33.400 33.400 33.597 -0.197 19302 3917 1 6 . 1 1 3 3 LYS H H 3 8.243 8.243 8.353 -0.110 19302 3918 1 6 . 1 1 4 4 ASN N N 4 121.184 121.184 119.366 1.818 19302 3919 1 6 . 1 1 4 4 ASN C C 4 172.940 172.940 173.046 -0.106 19302 3920 1 6 . 1 1 4 4 ASN CA C 4 50.404 50.404 51.828 -1.424 19302 3921 1 6 . 1 1 4 4 ASN CB C 4 41.212 41.212 38.527 2.685 19302 3922 1 6 . 1 1 4 4 ASN H H 4 8.086 8.086 8.356 -0.270 19302 3923 1 6 . 1 1 6 6 PRO HA H 6 4.222 4.222 4.479 -0.257 19302 3924 1 6 . 1 1 6 6 PRO C C 6 176.390 176.390 175.750 0.640 19302 3925 1 6 . 1 1 6 6 PRO CA C 6 63.267 63.267 63.289 -0.022 19302 3926 1 6 . 1 1 6 6 PRO CB C 6 32.008 32.008 31.088 0.920 19302 3927 1 6 . 1 1 7 7 ASP N N 7 120.412 120.412 125.870 -5.458 19302 3928 1 6 . 1 1 7 7 ASP HA H 7 4.402 4.402 4.611 -0.209 19302 3929 1 6 . 1 1 7 7 ASP C C 7 175.911 175.911 174.997 0.914 19302 3930 1 6 . 1 1 7 7 ASP CA C 7 54.248 54.248 53.304 0.944 19302 3931 1 6 . 1 1 7 7 ASP CB C 7 41.210 41.210 41.057 0.153 19302 3932 1 6 . 1 1 7 7 ASP H H 7 8.175 8.175 7.973 0.202 19302 3933 1 6 . 1 1 8 8 ASP N N 8 121.448 121.448 121.888 -0.440 19302 3934 1 6 . 1 1 8 8 ASP HA H 8 4.554 4.554 4.412 0.142 19302 3935 1 6 . 1 1 8 8 ASP C C 8 176.334 176.334 175.839 0.495 19302 3936 1 6 . 1 1 8 8 ASP CA C 8 54.240 54.240 54.843 -0.603 19302 3937 1 6 . 1 1 8 8 ASP CB C 8 41.354 41.354 40.981 0.373 19302 3938 1 6 . 1 1 8 8 ASP H H 8 8.080 8.080 8.364 -0.284 19302 3939 1 6 . 1 1 9 9 THR N N 9 114.376 114.376 115.496 -1.120 19302 3940 1 6 . 1 1 9 9 THR HA H 9 4.170 4.170 4.342 -0.172 19302 3941 1 6 . 1 1 9 9 THR C C 9 174.565 174.565 174.343 0.222 19302 3942 1 6 . 1 1 9 9 THR CA C 9 62.018 62.018 61.417 0.601 19302 3943 1 6 . 1 1 9 9 THR CB C 9 69.655 69.655 69.689 -0.034 19302 3944 1 6 . 1 1 9 9 THR H H 9 7.982 7.982 8.264 -0.282 19302 3945 1 6 . 1 1 10 10 GLY N N 10 111.726 111.726 110.616 1.110 19302 3946 1 6 . 1 1 10 10 GLY C C 10 171.287 171.287 172.663 -1.376 19302 3947 1 6 . 1 1 10 10 GLY CA C 10 44.627 44.627 44.459 0.168 19302 3948 1 6 . 1 1 10 10 GLY H H 10 8.051 8.051 7.857 0.194 19302 3949 1 6 . 1 1 11 11 PRO HA H 11 4.298 4.298 4.433 -0.135 19302 3950 1 6 . 1 1 11 11 PRO C C 11 176.417 176.417 176.424 -0.007 19302 3951 1 6 . 1 1 11 11 PRO CA C 11 63.173 63.173 62.711 0.463 19302 3952 1 6 . 1 1 11 11 PRO CB C 11 32.419 32.419 31.983 0.436 19302 3953 1 6 . 1 1 12 12 VAL N N 12 120.990 120.990 123.648 -2.658 19302 3954 1 6 . 1 1 12 12 VAL HA H 12 3.757 3.757 4.214 -0.457 19302 3955 1 6 . 1 1 12 12 VAL C C 12 174.604 174.604 175.433 -0.829 19302 3956 1 6 . 1 1 12 12 VAL CA C 12 61.747 61.747 62.298 -0.551 19302 3957 1 6 . 1 1 12 12 VAL CB C 12 33.506 33.506 32.967 0.539 19302 3958 1 6 . 1 1 12 12 VAL H H 12 7.667 7.667 8.380 -0.713 19302 3959 1 6 . 1 1 13 13 HIS N N 13 123.020 123.020 125.701 -2.681 19302 3960 1 6 . 1 1 13 13 HIS HA H 13 4.387 4.387 4.774 -0.387 19302 3961 1 6 . 1 1 13 13 HIS C C 13 173.601 173.601 173.985 -0.384 19302 3962 1 6 . 1 1 13 13 HIS CA C 13 55.731 55.731 54.930 0.801 19302 3963 1 6 . 1 1 13 13 HIS CB C 13 30.039 30.039 30.652 -0.613 19302 3964 1 6 . 1 1 13 13 HIS H H 13 8.088 8.088 8.447 -0.359 19302 3965 1 6 . 1 1 14 14 VAL N N 14 126.633 126.633 119.003 7.630 19302 3966 1 6 . 1 1 14 14 VAL HA H 14 3.941 3.941 4.576 -0.635 19302 3967 1 6 . 1 1 14 14 VAL C C 14 173.591 173.591 174.452 -0.861 19302 3968 1 6 . 1 1 14 14 VAL CA C 14 59.095 59.095 58.563 0.532 19302 3969 1 6 . 1 1 14 14 VAL CB C 14 32.976 32.976 31.471 1.505 19302 3970 1 6 . 1 1 14 14 VAL H H 14 8.128 8.128 7.837 0.291 19302 3971 1 6 . 1 1 15 15 PRO HA H 15 4.042 4.042 4.382 -0.340 19302 3972 1 6 . 1 1 15 15 PRO C C 15 175.581 175.581 176.997 -1.416 19302 3973 1 6 . 1 1 15 15 PRO CA C 15 62.314 62.314 63.117 -0.803 19302 3974 1 6 . 1 1 15 15 PRO CB C 15 31.352 31.352 32.292 -0.940 19302 3975 1 6 . 1 1 16 16 LEU N N 16 122.170 122.170 121.539 0.631 19302 3976 1 6 . 1 1 16 16 LEU HA H 16 4.073 4.073 4.383 -0.310 19302 3977 1 6 . 1 1 16 16 LEU C C 16 180.683 180.683 177.135 3.548 19302 3978 1 6 . 1 1 16 16 LEU CA C 16 56.442 56.442 55.536 0.906 19302 3979 1 6 . 1 1 16 16 LEU CB C 16 41.855 41.855 42.256 -0.401 19302 3980 1 6 . 1 1 16 16 LEU H H 16 8.070 8.070 8.190 -0.120 19302 3981 1 6 . 1 1 17 17 GLY N N 17 114.931 114.931 104.653 10.278 19302 3982 1 6 . 1 1 17 17 GLY C C 17 173.075 173.075 172.752 0.323 19302 3983 1 6 . 1 1 17 17 GLY CA C 17 45.757 45.757 45.191 0.566 19302 3984 1 6 . 1 1 17 17 GLY H H 17 9.325 9.325 7.680 1.645 19302 3985 1 6 . 1 1 18 18 HIS N N 18 117.638 117.638 115.634 2.004 19302 3986 1 6 . 1 1 18 18 HIS HA H 18 5.386 5.386 5.280 0.106 19302 3987 1 6 . 1 1 18 18 HIS C C 18 173.186 173.186 173.110 0.076 19302 3988 1 6 . 1 1 18 18 HIS CA C 18 54.007 54.007 54.309 -0.302 19302 3989 1 6 . 1 1 18 18 HIS CB C 18 31.691 31.691 32.314 -0.623 19302 3990 1 6 . 1 1 18 18 HIS H H 18 7.803 7.803 7.060 0.743 19302 3991 1 6 . 1 1 19 19 ILE N N 19 114.669 114.669 119.433 -4.764 19302 3992 1 6 . 1 1 19 19 ILE HA H 19 4.372 4.372 4.565 -0.193 19302 3993 1 6 . 1 1 19 19 ILE C C 19 174.449 174.449 174.679 -0.230 19302 3994 1 6 . 1 1 19 19 ILE CA C 19 60.368 60.368 58.687 1.681 19302 3995 1 6 . 1 1 19 19 ILE CB C 19 42.044 42.044 42.255 -0.211 19302 3996 1 6 . 1 1 19 19 ILE H H 19 8.059 8.059 8.383 -0.324 19302 3997 1 6 . 1 1 20 20 VAL N N 20 124.211 124.211 122.316 1.895 19302 3998 1 6 . 1 1 20 20 VAL HA H 20 4.730 4.730 4.721 0.009 19302 3999 1 6 . 1 1 20 20 VAL C C 20 174.104 174.104 174.306 -0.202 19302 4000 1 6 . 1 1 20 20 VAL CA C 20 61.322 61.322 60.992 0.330 19302 4001 1 6 . 1 1 20 20 VAL CB C 20 33.255 33.255 35.135 -1.879 19302 4002 1 6 . 1 1 20 20 VAL H H 20 7.525 7.525 8.223 -0.698 19302 4003 1 6 . 1 1 21 21 ALA N N 21 131.125 131.125 125.701 5.424 19302 4004 1 6 . 1 1 21 21 ALA HA H 21 5.095 5.095 5.466 -0.371 19302 4005 1 6 . 1 1 21 21 ALA C C 21 175.389 175.389 175.296 0.093 19302 4006 1 6 . 1 1 21 21 ALA CA C 21 49.175 49.175 49.704 -0.529 19302 4007 1 6 . 1 1 21 21 ALA CB C 21 24.297 24.297 23.347 0.950 19302 4008 1 6 . 1 1 21 21 ALA H H 21 9.395 9.395 9.199 0.196 19302 4009 1 6 . 1 1 22 22 ASN N N 22 120.999 120.999 117.991 3.008 19302 4010 1 6 . 1 1 22 22 ASN HA H 22 4.805 4.805 5.182 -0.377 19302 4011 1 6 . 1 1 22 22 ASN C C 22 176.336 176.336 177.169 -0.833 19302 4012 1 6 . 1 1 22 22 ASN CA C 22 54.289 54.289 51.089 3.200 19302 4013 1 6 . 1 1 22 22 ASN CB C 22 39.822 39.822 40.302 -0.480 19302 4014 1 6 . 1 1 22 22 ASN H H 22 8.345 8.345 8.518 -0.173 19302 4015 1 6 . 1 1 23 23 GLU N N 23 128.726 128.726 127.804 0.922 19302 4016 1 6 . 1 1 23 23 GLU HA H 23 3.927 3.927 3.971 -0.044 19302 4017 1 6 . 1 1 23 23 GLU C C 23 176.348 176.348 178.246 -1.898 19302 4018 1 6 . 1 1 23 23 GLU CA C 23 59.171 59.171 60.798 -1.627 19302 4019 1 6 . 1 1 23 23 GLU CB C 23 30.365 30.365 29.882 0.483 19302 4020 1 6 . 1 1 23 23 GLU H H 23 7.951 7.951 8.286 -0.335 19302 4021 1 6 . 1 1 24 24 LYS N N 24 119.166 119.166 119.623 -0.457 19302 4022 1 6 . 1 1 24 24 LYS HA H 24 3.895 3.895 4.140 -0.245 19302 4023 1 6 . 1 1 24 24 LYS C C 24 176.782 176.782 178.882 -2.100 19302 4024 1 6 . 1 1 24 24 LYS CA C 24 58.379 58.379 58.828 -0.449 19302 4025 1 6 . 1 1 24 24 LYS CB C 24 30.846 30.846 32.237 -1.391 19302 4026 1 6 . 1 1 24 24 LYS H H 24 8.583 8.583 8.504 0.079 19302 4027 1 6 . 1 1 25 25 TRP N N 25 118.053 118.053 119.504 -1.451 19302 4028 1 6 . 1 1 25 25 TRP HA H 25 4.326 4.326 4.570 -0.244 19302 4029 1 6 . 1 1 25 25 TRP C C 25 177.280 177.280 177.033 0.247 19302 4030 1 6 . 1 1 25 25 TRP CA C 25 56.722 56.722 58.320 -1.598 19302 4031 1 6 . 1 1 25 25 TRP CB C 25 29.506 29.506 29.662 -0.156 19302 4032 1 6 . 1 1 25 25 TRP H H 25 8.169 8.169 8.574 -0.405 19302 4033 1 6 . 1 1 26 26 ARG N N 26 127.838 127.838 119.310 8.528 19302 4034 1 6 . 1 1 26 26 ARG HA H 26 3.302 3.302 4.307 -1.005 19302 4035 1 6 . 1 1 26 26 ARG C C 26 177.506 177.506 177.055 0.451 19302 4036 1 6 . 1 1 26 26 ARG CA C 26 59.147 59.147 58.223 0.924 19302 4037 1 6 . 1 1 26 26 ARG CB C 26 29.305 29.305 30.523 -1.218 19302 4038 1 6 . 1 1 26 26 ARG H H 26 7.879 7.879 7.665 0.214 19302 4039 1 6 . 1 1 27 27 GLY N N 27 116.455 116.455 108.063 8.392 19302 4040 1 6 . 1 1 27 27 GLY C C 27 174.037 174.037 173.808 0.229 19302 4041 1 6 . 1 1 27 27 GLY CA C 27 45.513 45.513 44.778 0.735 19302 4042 1 6 . 1 1 27 27 GLY H H 27 8.968 8.968 7.588 1.380 19302 4043 1 6 . 1 1 28 28 SER N N 28 115.316 115.316 114.701 0.615 19302 4044 1 6 . 1 1 28 28 SER HA H 28 4.357 4.357 4.508 -0.151 19302 4045 1 6 . 1 1 28 28 SER C C 28 174.705 174.705 174.535 0.170 19302 4046 1 6 . 1 1 28 28 SER CA C 28 58.055 58.055 56.681 1.374 19302 4047 1 6 . 1 1 28 28 SER CB C 28 65.852 65.852 65.672 0.180 19302 4048 1 6 . 1 1 28 28 SER H H 28 7.718 7.718 7.227 0.491 19302 4049 1 6 . 1 1 29 29 GLN N N 29 124.252 124.252 124.153 0.099 19302 4050 1 6 . 1 1 29 29 GLN HA H 29 3.940 3.940 3.946 -0.006 19302 4051 1 6 . 1 1 29 29 GLN C C 29 178.221 178.221 177.269 0.952 19302 4052 1 6 . 1 1 29 29 GLN CA C 29 59.678 59.678 58.821 0.857 19302 4053 1 6 . 1 1 29 29 GLN CB C 29 27.932 27.932 28.479 -0.547 19302 4054 1 6 . 1 1 29 29 GLN H H 29 8.987 8.987 8.763 0.224 19302 4055 1 6 . 1 1 30 30 LEU N N 30 119.516 119.516 120.491 -0.975 19302 4056 1 6 . 1 1 30 30 LEU HA H 30 3.649 3.649 4.080 -0.431 19302 4057 1 6 . 1 1 30 30 LEU C C 30 177.674 177.674 177.889 -0.215 19302 4058 1 6 . 1 1 30 30 LEU CA C 30 59.240 59.240 57.808 1.432 19302 4059 1 6 . 1 1 30 30 LEU CB C 30 42.377 42.377 41.197 1.180 19302 4060 1 6 . 1 1 30 30 LEU H H 30 8.469 8.469 7.571 0.898 19302 4061 1 6 . 1 1 31 31 ALA N N 31 118.887 118.887 119.244 -0.357 19302 4062 1 6 . 1 1 31 31 ALA HA H 31 3.787 3.787 4.157 -0.370 19302 4063 1 6 . 1 1 31 31 ALA C C 31 179.914 179.914 179.598 0.316 19302 4064 1 6 . 1 1 31 31 ALA CA C 31 55.346 55.346 55.038 0.308 19302 4065 1 6 . 1 1 31 31 ALA CB C 31 18.725 18.725 18.010 0.715 19302 4066 1 6 . 1 1 31 31 ALA H H 31 7.965 7.965 8.535 -0.570 19302 4067 1 6 . 1 1 32 32 GLN N N 32 119.187 119.187 116.454 2.733 19302 4068 1 6 . 1 1 32 32 GLN HA H 32 3.874 3.874 4.192 -0.318 19302 4069 1 6 . 1 1 32 32 GLN C C 32 179.160 179.160 178.788 0.372 19302 4070 1 6 . 1 1 32 32 GLN CA C 32 59.072 59.072 58.622 0.450 19302 4071 1 6 . 1 1 32 32 GLN CB C 32 28.676 28.676 28.072 0.604 19302 4072 1 6 . 1 1 32 32 GLN H H 32 8.292 8.292 7.748 0.544 19302 4073 1 6 . 1 1 33 33 GLU N N 33 117.845 117.845 121.121 -3.276 19302 4074 1 6 . 1 1 33 33 GLU HA H 33 3.932 3.932 4.029 -0.097 19302 4075 1 6 . 1 1 33 33 GLU C C 33 178.487 178.487 178.944 -0.457 19302 4076 1 6 . 1 1 33 33 GLU CA C 33 57.948 57.948 59.291 -1.343 19302 4077 1 6 . 1 1 33 33 GLU CB C 33 29.221 29.221 29.157 0.064 19302 4078 1 6 . 1 1 33 33 GLU H H 33 8.157 8.157 7.770 0.387 19302 4079 1 6 . 1 1 34 34 MET N N 34 116.546 116.546 117.736 -1.190 19302 4080 1 6 . 1 1 34 34 MET HA H 34 3.911 3.911 4.059 -0.148 19302 4081 1 6 . 1 1 34 34 MET C C 34 176.992 176.992 177.889 -0.897 19302 4082 1 6 . 1 1 34 34 MET CA C 34 58.485 58.485 59.255 -0.770 19302 4083 1 6 . 1 1 34 34 MET CB C 34 34.045 34.045 32.613 1.432 19302 4084 1 6 . 1 1 34 34 MET H H 34 7.452 7.452 7.620 -0.168 19302 4085 1 6 . 1 1 35 35 GLN N N 35 118.259 118.259 117.133 1.126 19302 4086 1 6 . 1 1 35 35 GLN HA H 35 4.219 4.219 4.490 -0.271 19302 4087 1 6 . 1 1 35 35 GLN C C 35 176.544 176.544 178.186 -1.642 19302 4088 1 6 . 1 1 35 35 GLN CA C 35 58.039 58.039 58.393 -0.354 19302 4089 1 6 . 1 1 35 35 GLN CB C 35 28.381 28.381 28.548 -0.167 19302 4090 1 6 . 1 1 35 35 GLN H H 35 7.605 7.605 8.029 -0.424 19302 4091 1 6 . 1 1 36 36 GLY N N 36 110.354 110.354 105.382 4.972 19302 4092 1 6 . 1 1 36 36 GLY C C 36 174.291 174.291 174.270 0.021 19302 4093 1 6 . 1 1 36 36 GLY CA C 36 45.517 45.517 45.414 0.102 19302 4094 1 6 . 1 1 36 36 GLY H H 36 8.178 8.178 7.790 0.388 19302 4095 1 6 . 1 1 37 37 LYS N N 37 119.406 119.406 118.168 1.238 19302 4096 1 6 . 1 1 37 37 LYS HA H 37 4.254 4.254 4.443 -0.189 19302 4097 1 6 . 1 1 37 37 LYS C C 37 175.387 175.387 175.770 -0.383 19302 4098 1 6 . 1 1 37 37 LYS CA C 37 57.173 57.173 56.260 0.913 19302 4099 1 6 . 1 1 37 37 LYS CB C 37 35.261 35.261 35.468 -0.207 19302 4100 1 6 . 1 1 37 37 LYS H H 37 7.837 7.837 7.660 0.177 19302 4101 1 6 . 1 1 38 38 ILE N N 38 118.201 118.201 120.623 -2.422 19302 4102 1 6 . 1 1 38 38 ILE HA H 38 4.138 4.138 4.284 -0.146 19302 4103 1 6 . 1 1 38 38 ILE C C 38 172.937 172.937 173.660 -0.723 19302 4104 1 6 . 1 1 38 38 ILE CA C 38 59.055 59.055 58.869 0.186 19302 4105 1 6 . 1 1 38 38 ILE CB C 38 41.631 41.631 41.528 0.103 19302 4106 1 6 . 1 1 38 38 ILE H H 38 7.821 7.821 8.343 -0.522 19302 4107 1 6 . 1 1 39 39 LYS N N 39 122.826 122.826 124.355 -1.529 19302 4108 1 6 . 1 1 39 39 LYS HA H 39 4.187 4.187 4.512 -0.325 19302 4109 1 6 . 1 1 39 39 LYS C C 39 174.751 174.751 174.787 -0.036 19302 4110 1 6 . 1 1 39 39 LYS CA C 39 55.865 55.865 55.770 0.095 19302 4111 1 6 . 1 1 39 39 LYS CB C 39 33.007 33.007 32.921 0.086 19302 4112 1 6 . 1 1 39 39 LYS H H 39 7.126 7.126 8.638 -1.512 19302 4113 1 6 . 1 1 40 40 LEU N N 40 124.298 124.298 127.445 -3.147 19302 4114 1 6 . 1 1 40 40 LEU HA H 40 4.667 4.667 4.806 -0.139 19302 4115 1 6 . 1 1 40 40 LEU C C 40 176.473 176.473 175.739 0.734 19302 4116 1 6 . 1 1 40 40 LEU CA C 40 54.607 54.607 53.968 0.639 19302 4117 1 6 . 1 1 40 40 LEU CB C 40 44.102 44.102 44.148 -0.046 19302 4118 1 6 . 1 1 40 40 LEU H H 40 8.102 8.102 8.284 -0.182 19302 4119 1 6 . 1 1 41 41 ILE N N 41 124.128 124.128 125.365 -1.237 19302 4120 1 6 . 1 1 41 41 ILE HA H 41 4.092 4.092 3.851 0.241 19302 4121 1 6 . 1 1 41 41 ILE C C 41 174.360 174.360 174.294 0.066 19302 4122 1 6 . 1 1 41 41 ILE CA C 41 60.208 60.208 59.892 0.316 19302 4123 1 6 . 1 1 41 41 ILE CB C 41 40.867 40.867 40.237 0.630 19302 4124 1 6 . 1 1 41 41 ILE H H 41 8.208 8.208 8.748 -0.540 19302 4125 1 6 . 1 1 42 42 PHE N N 42 125.226 125.226 123.258 1.968 19302 4126 1 6 . 1 1 42 42 PHE HA H 42 5.501 5.501 5.365 0.136 19302 4127 1 6 . 1 1 42 42 PHE C C 42 176.313 176.313 175.930 0.383 19302 4128 1 6 . 1 1 42 42 PHE CA C 42 57.720 57.720 55.578 2.142 19302 4129 1 6 . 1 1 42 42 PHE CB C 42 41.630 41.630 41.267 0.363 19302 4130 1 6 . 1 1 42 42 PHE H H 42 8.636 8.636 8.220 0.416 19302 4131 1 6 . 1 1 43 43 GLU N N 43 121.397 121.397 122.910 -1.513 19302 4132 1 6 . 1 1 43 43 GLU HA H 43 4.643 4.643 4.605 0.038 19302 4133 1 6 . 1 1 43 43 GLU C C 43 175.211 175.211 175.105 0.106 19302 4134 1 6 . 1 1 43 43 GLU CA C 43 55.131 55.131 55.868 -0.737 19302 4135 1 6 . 1 1 43 43 GLU CB C 43 33.367 33.367 33.575 -0.208 19302 4136 1 6 . 1 1 43 43 GLU H H 43 8.589 8.589 8.749 -0.160 19302 4137 1 6 . 1 1 44 44 ASP N N 44 124.759 124.759 125.176 -0.417 19302 4138 1 6 . 1 1 44 44 ASP HA H 44 4.708 4.708 4.914 -0.206 19302 4139 1 6 . 1 1 44 44 ASP C C 44 177.308 177.308 177.232 0.076 19302 4140 1 6 . 1 1 44 44 ASP CA C 44 53.737 53.737 53.925 -0.188 19302 4141 1 6 . 1 1 44 44 ASP CB C 44 42.365 42.365 40.633 1.732 19302 4142 1 6 . 1 1 44 44 ASP H H 44 8.729 8.729 8.599 0.130 19302 4143 1 6 . 1 1 45 45 GLY N N 45 108.414 108.414 110.984 -2.570 19302 4144 1 6 . 1 1 45 45 GLY C C 45 174.426 174.426 174.332 0.094 19302 4145 1 6 . 1 1 45 45 GLY CA C 45 46.367 46.367 44.887 1.480 19302 4146 1 6 . 1 1 45 45 GLY H H 45 8.564 8.564 8.330 0.234 19302 4147 1 6 . 1 1 46 46 LEU N N 46 119.025 119.025 121.516 -2.491 19302 4148 1 6 . 1 1 46 46 LEU HA H 46 4.356 4.356 4.149 0.207 19302 4149 1 6 . 1 1 46 46 LEU C C 46 177.414 177.414 176.825 0.589 19302 4150 1 6 . 1 1 46 46 LEU CA C 46 54.189 54.189 55.311 -1.122 19302 4151 1 6 . 1 1 46 46 LEU CB C 46 43.853 43.853 42.364 1.489 19302 4152 1 6 . 1 1 46 46 LEU H H 46 7.130 7.130 7.621 -0.491 19302 4153 1 6 . 1 1 47 47 THR N N 47 117.926 117.926 113.854 4.072 19302 4154 1 6 . 1 1 47 47 THR HA H 47 4.326 4.326 4.360 -0.034 19302 4155 1 6 . 1 1 47 47 THR CA C 47 67.458 67.458 62.707 4.751 19302 4156 1 6 . 1 1 47 47 THR H H 47 9.042 9.042 8.239 0.803 19302 4157 1 6 . 1 1 48 48 PRO HA H 48 4.163 4.163 4.201 -0.038 19302 4158 1 6 . 1 1 48 48 PRO CA C 48 62.301 62.301 63.019 -0.718 19302 4159 1 6 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.462 -0.938 19302 4160 1 6 . 1 1 49 49 ASP N N 49 116.671 116.671 118.690 -2.019 19302 4161 1 6 . 1 1 49 49 ASP HA H 49 4.336 4.336 3.906 0.430 19302 4162 1 6 . 1 1 49 49 ASP C C 49 174.082 174.082 175.373 -1.291 19302 4163 1 6 . 1 1 49 49 ASP CA C 49 58.985 58.985 54.889 4.096 19302 4164 1 6 . 1 1 49 49 ASP CB C 49 43.773 43.773 41.964 1.809 19302 4165 1 6 . 1 1 49 49 ASP H H 49 7.731 7.731 8.196 -0.465 19302 4166 1 6 . 1 1 50 50 PHE N N 50 109.227 109.227 115.424 -6.197 19302 4167 1 6 . 1 1 50 50 PHE HA H 50 5.488 5.488 5.635 -0.147 19302 4168 1 6 . 1 1 50 50 PHE C C 50 175.293 175.293 175.299 -0.006 19302 4169 1 6 . 1 1 50 50 PHE CA C 50 55.516 55.516 55.908 -0.392 19302 4170 1 6 . 1 1 50 50 PHE CB C 50 43.280 43.280 42.722 0.558 19302 4171 1 6 . 1 1 50 50 PHE H H 50 7.324 7.324 7.632 -0.308 19302 4172 1 6 . 1 1 51 51 TYR N N 51 122.688 122.688 118.526 4.162 19302 4173 1 6 . 1 1 51 51 TYR HA H 51 4.717 4.717 4.819 -0.102 19302 4174 1 6 . 1 1 51 51 TYR C C 51 174.427 174.427 174.553 -0.126 19302 4175 1 6 . 1 1 51 51 TYR CA C 51 59.097 59.097 57.821 1.276 19302 4176 1 6 . 1 1 51 51 TYR CB C 51 39.893 39.893 42.593 -2.700 19302 4177 1 6 . 1 1 51 51 TYR H H 51 9.944 9.944 8.412 1.532 19302 4178 1 6 . 1 1 52 52 LEU N N 52 121.948 121.948 123.328 -1.380 19302 4179 1 6 . 1 1 52 52 LEU HA H 52 4.231 4.231 4.607 -0.376 19302 4180 1 6 . 1 1 52 52 LEU C C 52 175.771 175.771 175.955 -0.184 19302 4181 1 6 . 1 1 52 52 LEU CA C 52 55.320 55.320 54.226 1.094 19302 4182 1 6 . 1 1 52 52 LEU CB C 52 42.874 42.874 44.196 -1.322 19302 4183 1 6 . 1 1 52 52 LEU H H 52 8.225 8.225 7.958 0.267 19302 4184 1 6 . 1 1 53 53 SER N N 53 111.729 111.729 111.722 0.007 19302 4185 1 6 . 1 1 53 53 SER HA H 53 4.267 4.267 4.588 -0.321 19302 4186 1 6 . 1 1 53 53 SER C C 53 173.134 173.134 174.008 -0.874 19302 4187 1 6 . 1 1 53 53 SER CA C 53 56.843 56.843 57.227 -0.384 19302 4188 1 6 . 1 1 53 53 SER CB C 53 64.642 64.642 65.010 -0.368 19302 4189 1 6 . 1 1 53 53 SER H H 53 8.487 8.487 7.372 1.115 19302 4190 1 6 . 1 1 54 54 ASN N N 54 116.204 116.204 119.092 -2.888 19302 4191 1 6 . 1 1 54 54 ASN HA H 54 4.388 4.388 4.834 -0.446 19302 4192 1 6 . 1 1 54 54 ASN C C 54 175.095 175.095 175.320 -0.225 19302 4193 1 6 . 1 1 54 54 ASN CA C 54 55.905 55.905 54.819 1.086 19302 4194 1 6 . 1 1 54 54 ASN CB C 54 37.761 37.761 38.360 -0.599 19302 4195 1 6 . 1 1 54 54 ASN H H 54 8.682 8.682 8.696 -0.014 19302 4196 1 6 . 1 1 55 55 ARG N N 55 112.605 112.605 114.945 -2.340 19302 4197 1 6 . 1 1 55 55 ARG HA H 55 4.607 4.607 4.431 0.176 19302 4198 1 6 . 1 1 55 55 ARG C C 55 175.506 175.506 173.805 1.701 19302 4199 1 6 . 1 1 55 55 ARG CA C 55 55.586 55.586 55.782 -0.196 19302 4200 1 6 . 1 1 55 55 ARG CB C 55 31.688 31.688 31.816 -0.128 19302 4201 1 6 . 1 1 55 55 ARG H H 55 7.783 7.783 7.897 -0.114 19302 4202 1 6 . 1 1 56 56 CYS N N 56 122.261 122.261 117.455 4.806 19302 4203 1 6 . 1 1 56 56 CYS HA H 56 5.194 5.194 4.949 0.245 19302 4204 1 6 . 1 1 56 56 CYS C C 56 172.619 172.619 173.580 -0.961 19302 4205 1 6 . 1 1 56 56 CYS CA C 56 58.099 58.099 56.281 1.818 19302 4206 1 6 . 1 1 56 56 CYS CB C 56 28.338 28.338 29.948 -1.610 19302 4207 1 6 . 1 1 56 56 CYS H H 56 7.379 7.379 7.109 0.270 19302 4208 1 6 . 1 1 57 57 CYS N N 57 124.705 124.705 119.553 5.152 19302 4209 1 6 . 1 1 57 57 CYS HA H 57 5.380 5.380 4.938 0.442 19302 4210 1 6 . 1 1 57 57 CYS C C 57 160.640 160.640 171.997 -11.357 19302 4211 1 6 . 1 1 57 57 CYS CA C 57 54.521 54.521 55.644 -1.123 19302 4212 1 6 . 1 1 57 57 CYS CB C 57 32.506 32.506 31.515 0.992 19302 4213 1 6 . 1 1 57 57 CYS H H 57 8.980 8.980 8.703 0.277 19302 4214 1 6 . 1 1 58 58 ILE N N 58 118.279 118.279 120.022 -1.743 19302 4215 1 6 . 1 1 58 58 ILE HA H 58 5.181 5.181 5.423 -0.242 19302 4216 1 6 . 1 1 58 58 ILE C C 58 175.707 175.707 174.277 1.430 19302 4217 1 6 . 1 1 58 58 ILE CA C 58 58.535 58.535 60.020 -1.484 19302 4218 1 6 . 1 1 58 58 ILE CB C 58 41.538 41.538 42.721 -1.183 19302 4219 1 6 . 1 1 58 58 ILE H H 58 8.960 8.960 8.601 0.359 19302 4220 1 6 . 1 1 59 59 LEU N N 59 130.422 130.422 126.192 4.230 19302 4221 1 6 . 1 1 59 59 LEU HA H 59 4.716 4.716 4.697 0.019 19302 4222 1 6 . 1 1 59 59 LEU C C 59 172.275 172.275 174.548 -2.273 19302 4223 1 6 . 1 1 59 59 LEU CA C 59 53.756 53.756 53.507 0.249 19302 4224 1 6 . 1 1 59 59 LEU CB C 59 42.530 42.530 46.761 -4.231 19302 4225 1 6 . 1 1 59 59 LEU H H 59 9.078 9.078 8.133 0.945 19302 4226 1 6 . 1 1 60 60 TYR N N 60 129.820 129.820 126.067 3.753 19302 4227 1 6 . 1 1 60 60 TYR HA H 60 5.110 5.110 4.683 0.427 19302 4228 1 6 . 1 1 60 60 TYR C C 60 174.911 174.911 174.441 0.470 19302 4229 1 6 . 1 1 60 60 TYR CA C 60 56.689 56.689 57.860 -1.171 19302 4230 1 6 . 1 1 60 60 TYR CB C 60 41.643 41.643 38.775 2.868 19302 4231 1 6 . 1 1 60 60 TYR H H 60 10.120 10.120 8.456 1.664 19302 4232 1 6 . 1 1 61 61 VAL N N 61 132.504 132.504 126.995 5.509 19302 4233 1 6 . 1 1 61 61 VAL HA H 61 4.232 4.232 4.478 -0.246 19302 4234 1 6 . 1 1 61 61 VAL C C 61 174.433 174.433 174.358 0.075 19302 4235 1 6 . 1 1 61 61 VAL CA C 61 61.641 61.641 60.299 1.342 19302 4236 1 6 . 1 1 61 61 VAL CB C 61 33.305 33.305 35.475 -2.170 19302 4237 1 6 . 1 1 61 61 VAL H H 61 8.903 8.903 8.225 0.678 19302 4238 1 6 . 1 1 62 62 THR N N 62 116.863 116.863 116.756 0.107 19302 4239 1 6 . 1 1 62 62 THR HA H 62 4.024 4.024 4.719 -0.695 19302 4240 1 6 . 1 1 62 62 THR C C 62 175.118 175.118 175.066 0.052 19302 4241 1 6 . 1 1 62 62 THR CA C 62 60.650 60.650 58.557 2.093 19302 4242 1 6 . 1 1 62 62 THR CB C 62 72.134 72.134 70.897 1.237 19302 4243 1 6 . 1 1 62 62 THR H H 62 8.559 8.559 8.291 0.268 19302 4244 1 6 . 1 1 63 63 GLU N N 63 120.767 120.767 125.452 -4.685 19302 4245 1 6 . 1 1 63 63 GLU HA H 63 3.776 3.776 3.894 -0.118 19302 4246 1 6 . 1 1 63 63 GLU C C 63 177.194 177.194 177.792 -0.598 19302 4247 1 6 . 1 1 63 63 GLU CA C 63 60.496 60.496 59.649 0.847 19302 4248 1 6 . 1 1 63 63 GLU CB C 63 30.709 30.709 29.394 1.315 19302 4249 1 6 . 1 1 63 63 GLU H H 63 9.165 9.165 8.664 0.501 19302 4250 1 6 . 1 1 64 64 ALA N N 64 119.167 119.167 120.120 -0.953 19302 4251 1 6 . 1 1 64 64 ALA HA H 64 3.998 3.998 4.005 -0.007 19302 4252 1 6 . 1 1 64 64 ALA C C 64 180.477 180.477 180.019 0.458 19302 4253 1 6 . 1 1 64 64 ALA CA C 64 54.912 54.912 54.875 0.037 19302 4254 1 6 . 1 1 64 64 ALA CB C 64 17.899 17.899 18.203 -0.304 19302 4255 1 6 . 1 1 64 64 ALA H H 64 7.919 7.919 7.859 0.060 19302 4256 1 6 . 1 1 65 65 ASP N N 65 119.995 119.995 119.886 0.109 19302 4257 1 6 . 1 1 65 65 ASP HA H 65 4.026 4.026 4.358 -0.332 19302 4258 1 6 . 1 1 65 65 ASP C C 65 177.891 177.891 177.508 0.383 19302 4259 1 6 . 1 1 65 65 ASP CA C 65 57.412 57.412 56.702 0.710 19302 4260 1 6 . 1 1 65 65 ASP CB C 65 41.112 41.112 40.094 1.018 19302 4261 1 6 . 1 1 65 65 ASP H H 65 7.851 7.851 8.423 -0.572 19302 4262 1 6 . 1 1 66 66 LEU N N 66 118.585 118.585 119.684 -1.099 19302 4263 1 6 . 1 1 66 66 LEU HA H 66 3.813 3.813 4.026 -0.213 19302 4264 1 6 . 1 1 66 66 LEU C C 66 178.892 178.892 178.635 0.257 19302 4265 1 6 . 1 1 66 66 LEU CA C 66 56.943 56.943 57.513 -0.570 19302 4266 1 6 . 1 1 66 66 LEU CB C 66 41.700 41.700 42.124 -0.424 19302 4267 1 6 . 1 1 66 66 LEU H H 66 7.210 7.210 7.768 -0.558 19302 4268 1 6 . 1 1 67 67 VAL N N 67 117.714 117.714 118.716 -1.002 19302 4269 1 6 . 1 1 67 67 VAL HA H 67 3.088 3.088 3.771 -0.683 19302 4270 1 6 . 1 1 67 67 VAL C C 67 177.430 177.430 177.133 0.297 19302 4271 1 6 . 1 1 67 67 VAL CA C 67 64.392 64.392 65.519 -1.127 19302 4272 1 6 . 1 1 67 67 VAL CB C 67 31.974 31.974 31.253 0.721 19302 4273 1 6 . 1 1 67 67 VAL H H 67 7.774 7.774 7.816 -0.042 19302 4274 1 6 . 1 1 68 68 ALA N N 68 120.210 120.210 120.260 -0.050 19302 4275 1 6 . 1 1 68 68 ALA HA H 68 3.992 3.992 4.541 -0.549 19302 4276 1 6 . 1 1 68 68 ALA C C 68 178.127 178.127 178.597 -0.470 19302 4277 1 6 . 1 1 68 68 ALA CA C 68 53.540 53.540 51.528 2.012 19302 4278 1 6 . 1 1 68 68 ALA CB C 68 18.849 18.849 17.909 0.940 19302 4279 1 6 . 1 1 68 68 ALA H H 68 7.336 7.336 7.263 0.073 19302 4280 1 6 . 1 1 69 69 GLY N N 69 106.149 106.149 107.296 -1.147 19302 4281 1 6 . 1 1 69 69 GLY C C 69 173.298 173.298 174.794 -1.496 19302 4282 1 6 . 1 1 69 69 GLY CA C 69 45.057 45.057 46.339 -1.282 19302 4283 1 6 . 1 1 69 69 GLY H H 69 7.143 7.143 7.645 -0.502 19302 4284 1 6 . 1 1 70 70 ASN N N 70 118.879 118.879 118.040 0.839 19302 4285 1 6 . 1 1 70 70 ASN HA H 70 4.855 4.855 4.758 0.097 19302 4286 1 6 . 1 1 70 70 ASN C C 70 177.766 177.766 175.201 2.565 19302 4287 1 6 . 1 1 70 70 ASN CA C 70 52.611 52.611 52.433 0.178 19302 4288 1 6 . 1 1 70 70 ASN CB C 70 38.356 38.356 37.336 1.020 19302 4289 1 6 . 1 1 70 70 ASN H H 70 8.316 8.316 7.971 0.345 19302 4290 1 6 . 1 1 71 71 GLY N N 71 114.725 114.725 106.987 7.738 19302 4291 1 6 . 1 1 71 71 GLY C C 71 176.515 176.515 174.542 1.973 19302 4292 1 6 . 1 1 71 71 GLY CA C 71 47.575 47.575 45.943 1.632 19302 4293 1 6 . 1 1 71 71 GLY H H 71 8.812 8.812 7.336 1.476 19302 4294 1 6 . 1 1 72 72 TYR N N 72 118.594 118.594 123.118 -4.524 19302 4295 1 6 . 1 1 72 72 TYR HA H 72 4.182 4.182 4.553 -0.371 19302 4296 1 6 . 1 1 72 72 TYR C C 72 176.205 176.205 176.391 -0.186 19302 4297 1 6 . 1 1 72 72 TYR CA C 72 59.287 59.287 60.624 -1.337 19302 4298 1 6 . 1 1 72 72 TYR CB C 72 37.305 37.305 39.592 -2.287 19302 4299 1 6 . 1 1 72 72 TYR H H 72 8.067 8.067 7.674 0.393 19302 4300 1 6 . 1 1 73 73 ARG N N 73 119.967 119.967 119.842 0.125 19302 4301 1 6 . 1 1 73 73 ARG HA H 73 3.261 3.261 3.864 -0.603 19302 4302 1 6 . 1 1 73 73 ARG C C 73 177.612 177.612 178.224 -0.612 19302 4303 1 6 . 1 1 73 73 ARG CA C 73 59.984 59.984 60.148 -0.164 19302 4304 1 6 . 1 1 73 73 ARG CB C 73 29.286 29.286 29.927 -0.641 19302 4305 1 6 . 1 1 73 73 ARG H H 73 6.715 6.715 7.817 -1.102 19302 4306 1 6 . 1 1 74 74 LYS N N 74 116.928 116.928 117.809 -0.881 19302 4307 1 6 . 1 1 74 74 LYS HA H 74 3.728 3.728 3.968 -0.240 19302 4308 1 6 . 1 1 74 74 LYS C C 74 179.161 179.161 178.997 0.164 19302 4309 1 6 . 1 1 74 74 LYS CA C 74 59.770 59.770 59.565 0.205 19302 4310 1 6 . 1 1 74 74 LYS CB C 74 32.037 32.037 31.711 0.326 19302 4311 1 6 . 1 1 74 74 LYS H H 74 7.169 7.169 8.501 -1.332 19302 4312 1 6 . 1 1 75 75 ARG N N 75 117.727 117.727 119.436 -1.709 19302 4313 1 6 . 1 1 75 75 ARG HA H 75 3.753 3.753 3.905 -0.152 19302 4314 1 6 . 1 1 75 75 ARG C C 75 177.176 177.176 178.669 -1.493 19302 4315 1 6 . 1 1 75 75 ARG CA C 75 59.596 59.596 58.912 0.684 19302 4316 1 6 . 1 1 75 75 ARG CB C 75 31.110 31.110 29.529 1.581 19302 4317 1 6 . 1 1 75 75 ARG H H 75 7.511 7.511 7.322 0.189 19302 4318 1 6 . 1 1 76 76 LEU N N 76 118.105 118.105 118.187 -0.082 19302 4319 1 6 . 1 1 76 76 LEU HA H 76 3.575 3.575 3.881 -0.306 19302 4320 1 6 . 1 1 76 76 LEU C C 76 178.325 178.325 178.496 -0.171 19302 4321 1 6 . 1 1 76 76 LEU CA C 76 59.496 59.496 57.786 1.710 19302 4322 1 6 . 1 1 76 76 LEU CB C 76 41.124 41.124 41.371 -0.247 19302 4323 1 6 . 1 1 76 76 LEU H H 76 6.770 6.770 7.575 -0.805 19302 4324 1 6 . 1 1 77 77 VAL N N 77 117.854 117.854 116.718 1.136 19302 4325 1 6 . 1 1 77 77 VAL HA H 77 3.243 3.243 3.654 -0.411 19302 4326 1 6 . 1 1 77 77 VAL C C 77 177.335 177.335 178.043 -0.708 19302 4327 1 6 . 1 1 77 77 VAL CA C 77 66.596 66.596 65.719 0.877 19302 4328 1 6 . 1 1 77 77 VAL CB C 77 31.703 31.703 31.142 0.561 19302 4329 1 6 . 1 1 77 77 VAL H H 77 7.800 7.800 7.394 0.406 19302 4330 1 6 . 1 1 78 78 ARG N N 78 118.783 118.783 120.073 -1.290 19302 4331 1 6 . 1 1 78 78 ARG HA H 78 3.872 3.872 3.967 -0.095 19302 4332 1 6 . 1 1 78 78 ARG C C 78 179.484 179.484 178.362 1.122 19302 4333 1 6 . 1 1 78 78 ARG CA C 78 59.337 59.337 59.875 -0.538 19302 4334 1 6 . 1 1 78 78 ARG CB C 78 29.921 29.921 29.949 -0.028 19302 4335 1 6 . 1 1 78 78 ARG H H 78 7.385 7.385 7.592 -0.207 19302 4336 1 6 . 1 1 79 79 VAL N N 79 118.747 118.747 116.949 1.798 19302 4337 1 6 . 1 1 79 79 VAL HA H 79 3.434 3.434 3.643 -0.209 19302 4338 1 6 . 1 1 79 79 VAL C C 79 177.902 177.902 177.835 0.067 19302 4339 1 6 . 1 1 79 79 VAL CA C 79 66.771 66.771 66.778 -0.007 19302 4340 1 6 . 1 1 79 79 VAL CB C 79 31.327 31.327 31.494 -0.167 19302 4341 1 6 . 1 1 79 79 VAL H H 79 7.374 7.374 7.517 -0.143 19302 4342 1 6 . 1 1 80 80 ARG N N 80 122.868 122.868 115.578 7.290 19302 4343 1 6 . 1 1 80 80 ARG HA H 80 3.960 3.960 4.104 -0.144 19302 4344 1 6 . 1 1 80 80 ARG C C 80 177.893 177.893 176.860 1.033 19302 4345 1 6 . 1 1 80 80 ARG CA C 80 58.256 58.256 58.205 0.051 19302 4346 1 6 . 1 1 80 80 ARG CB C 80 29.141 29.141 29.968 -0.827 19302 4347 1 6 . 1 1 80 80 ARG H H 80 8.268 8.268 7.527 0.741 19302 4348 1 6 . 1 1 81 81 ASN N N 81 115.469 115.469 116.603 -1.134 19302 4349 1 6 . 1 1 81 81 ASN HA H 81 4.528 4.528 4.547 -0.019 19302 4350 1 6 . 1 1 81 81 ASN C C 81 175.329 175.329 176.668 -1.339 19302 4351 1 6 . 1 1 81 81 ASN CA C 81 53.553 53.553 55.201 -1.648 19302 4352 1 6 . 1 1 81 81 ASN CB C 81 38.358 38.358 38.712 -0.354 19302 4353 1 6 . 1 1 81 81 ASN H H 81 7.878 7.878 7.833 0.045 19302 4354 1 6 . 1 1 82 82 SER N N 82 117.226 117.226 115.454 1.772 19302 4355 1 6 . 1 1 82 82 SER HA H 82 4.350 4.350 4.282 0.068 19302 4356 1 6 . 1 1 82 82 SER C C 82 175.243 175.243 174.971 0.272 19302 4357 1 6 . 1 1 82 82 SER CA C 82 59.045 59.045 60.750 -1.705 19302 4358 1 6 . 1 1 82 82 SER CB C 82 63.929 63.929 63.672 0.258 19302 4359 1 6 . 1 1 82 82 SER H H 82 7.528 7.528 7.885 -0.357 19302 4360 1 6 . 1 1 83 83 ASN N N 83 121.059 121.059 116.017 5.042 19302 4361 1 6 . 1 1 83 83 ASN HA H 83 4.402 4.402 4.769 -0.367 19302 4362 1 6 . 1 1 83 83 ASN C C 83 175.260 175.260 173.779 1.481 19302 4363 1 6 . 1 1 83 83 ASN CA C 83 54.583 54.583 54.035 0.548 19302 4364 1 6 . 1 1 83 83 ASN CB C 83 38.909 38.909 39.848 -0.939 19302 4365 1 6 . 1 1 83 83 ASN H H 83 8.348 8.348 8.573 -0.225 19302 4366 1 6 . 1 1 84 84 ASN N N 84 117.070 117.070 119.497 -2.427 19302 4367 1 6 . 1 1 84 84 ASN HA H 84 4.422 4.422 4.711 -0.289 19302 4368 1 6 . 1 1 84 84 ASN C C 84 173.609 173.609 173.602 0.007 19302 4369 1 6 . 1 1 84 84 ASN CA C 84 53.753 53.753 53.248 0.505 19302 4370 1 6 . 1 1 84 84 ASN CB C 84 38.551 38.551 39.096 -0.545 19302 4371 1 6 . 1 1 84 84 ASN H H 84 8.466 8.466 8.484 -0.018 19302 4372 1 6 . 1 1 85 85 LEU N N 85 119.048 119.048 123.543 -4.495 19302 4373 1 6 . 1 1 85 85 LEU HA H 85 4.518 4.518 4.479 0.039 19302 4374 1 6 . 1 1 85 85 LEU C C 85 175.397 175.397 176.715 -1.318 19302 4375 1 6 . 1 1 85 85 LEU CA C 85 54.094 54.094 54.832 -0.738 19302 4376 1 6 . 1 1 85 85 LEU CB C 85 44.902 44.902 42.703 2.200 19302 4377 1 6 . 1 1 85 85 LEU H H 85 7.453 7.453 8.418 -0.965 19302 4378 1 6 . 1 1 86 86 LYS N N 86 125.959 125.959 122.596 3.363 19302 4379 1 6 . 1 1 86 86 LYS HA H 86 4.397 4.397 4.641 -0.244 19302 4380 1 6 . 1 1 86 86 LYS C C 86 175.209 175.209 176.209 -1.000 19302 4381 1 6 . 1 1 86 86 LYS CA C 86 54.934 54.934 55.269 -0.335 19302 4382 1 6 . 1 1 86 86 LYS CB C 86 33.581 33.581 31.544 2.037 19302 4383 1 6 . 1 1 86 86 LYS H H 86 8.242 8.242 8.421 -0.179 19302 4384 1 6 . 1 1 87 87 GLY N N 87 113.359 113.359 110.490 2.869 19302 4385 1 6 . 1 1 87 87 GLY C C 87 171.780 171.780 172.719 -0.939 19302 4386 1 6 . 1 1 87 87 GLY CA C 87 44.894 44.894 43.230 1.664 19302 4387 1 6 . 1 1 87 87 GLY H H 87 8.840 8.840 7.832 1.008 19302 4388 1 6 . 1 1 88 88 ILE N N 88 125.743 125.743 118.869 6.874 19302 4389 1 6 . 1 1 88 88 ILE HA H 88 4.077 4.077 4.619 -0.542 19302 4390 1 6 . 1 1 88 88 ILE C C 88 174.254 174.254 175.092 -0.838 19302 4391 1 6 . 1 1 88 88 ILE CA C 88 60.766 60.766 61.103 -0.337 19302 4392 1 6 . 1 1 88 88 ILE CB C 88 40.483 40.483 40.568 -0.085 19302 4393 1 6 . 1 1 88 88 ILE H H 88 8.411 8.411 8.811 -0.400 19302 4394 1 6 . 1 1 89 89 VAL N N 89 129.556 129.556 126.785 2.771 19302 4395 1 6 . 1 1 89 89 VAL HA H 89 4.762 4.762 4.401 0.361 19302 4396 1 6 . 1 1 89 89 VAL C C 89 174.205 174.205 174.806 -0.601 19302 4397 1 6 . 1 1 89 89 VAL CA C 89 61.224 61.224 60.579 0.645 19302 4398 1 6 . 1 1 89 89 VAL CB C 89 31.924 31.924 31.608 0.316 19302 4399 1 6 . 1 1 89 89 VAL H H 89 8.859 8.859 9.300 -0.441 19302 4400 1 6 . 1 1 90 90 VAL N N 90 130.678 130.678 127.558 3.120 19302 4401 1 6 . 1 1 90 90 VAL HA H 90 4.804 4.804 4.458 0.346 19302 4402 1 6 . 1 1 90 90 VAL C C 90 173.650 173.650 174.824 -1.174 19302 4403 1 6 . 1 1 90 90 VAL CA C 90 60.478 60.478 61.022 -0.543 19302 4404 1 6 . 1 1 90 90 VAL CB C 90 33.666 33.666 33.132 0.534 19302 4405 1 6 . 1 1 90 90 VAL H H 90 8.747 8.747 8.181 0.566 19302 4406 1 6 . 1 1 91 91 VAL N N 91 122.793 122.793 125.668 -2.875 19302 4407 1 6 . 1 1 91 91 VAL HA H 91 5.019 5.019 4.469 0.550 19302 4408 1 6 . 1 1 91 91 VAL C C 91 173.241 173.241 174.438 -1.197 19302 4409 1 6 . 1 1 91 91 VAL CA C 91 56.898 56.898 60.262 -3.364 19302 4410 1 6 . 1 1 91 91 VAL CB C 91 35.349 35.349 34.597 0.752 19302 4411 1 6 . 1 1 91 91 VAL H H 91 7.758 7.758 8.294 -0.536 19302 4412 1 6 . 1 1 92 92 GLU N N 92 125.925 125.925 126.685 -0.760 19302 4413 1 6 . 1 1 92 92 GLU HA H 92 4.208 4.208 4.437 -0.229 19302 4414 1 6 . 1 1 92 92 GLU C C 92 173.665 173.665 175.178 -1.513 19302 4415 1 6 . 1 1 92 92 GLU CA C 92 55.740 55.740 54.542 1.198 19302 4416 1 6 . 1 1 92 92 GLU CB C 92 29.433 29.433 30.668 -1.235 19302 4417 1 6 . 1 1 92 92 GLU H H 92 7.501 7.501 8.843 -1.342 19302 4418 1 6 . 1 1 93 93 LYS N N 93 132.415 132.415 126.704 5.711 19302 4419 1 6 . 1 1 93 93 LYS HA H 93 4.033 4.033 4.190 -0.157 19302 4420 1 6 . 1 1 93 93 LYS C C 93 173.582 173.582 176.210 -2.628 19302 4421 1 6 . 1 1 93 93 LYS CA C 93 55.460 55.460 56.678 -1.218 19302 4422 1 6 . 1 1 93 93 LYS CB C 93 33.506 33.506 32.688 0.818 19302 4423 1 6 . 1 1 93 93 LYS H H 93 9.015 9.015 8.023 0.992 19302 4424 1 6 . 1 1 94 94 THR N N 94 118.315 118.315 116.791 1.524 19302 4425 1 6 . 1 1 94 94 THR HA H 94 4.600 4.600 4.469 0.131 19302 4426 1 6 . 1 1 94 94 THR C C 94 174.933 174.933 174.668 0.265 19302 4427 1 6 . 1 1 94 94 THR CA C 94 58.678 58.678 63.081 -4.403 19302 4428 1 6 . 1 1 94 94 THR CB C 94 72.561 72.561 70.228 2.333 19302 4429 1 6 . 1 1 94 94 THR H H 94 8.288 8.288 8.498 -0.210 19302 4430 1 6 . 1 1 95 95 ARG N N 95 119.684 119.684 118.757 0.927 19302 4431 1 6 . 1 1 95 95 ARG HA H 95 3.960 3.960 4.561 -0.602 19302 4432 1 6 . 1 1 95 95 ARG C C 95 178.617 178.617 176.845 1.772 19302 4433 1 6 . 1 1 95 95 ARG CA C 95 59.240 59.240 56.937 2.304 19302 4434 1 6 . 1 1 95 95 ARG CB C 95 29.480 29.480 29.873 -0.393 19302 4435 1 6 . 1 1 95 95 ARG H H 95 8.719 8.719 7.954 0.765 19302 4436 1 6 . 1 1 96 96 MET N N 96 115.656 115.656 120.431 -4.775 19302 4437 1 6 . 1 1 96 96 MET HA H 96 4.332 4.332 4.400 -0.068 19302 4438 1 6 . 1 1 96 96 MET C C 96 177.312 177.312 177.706 -0.394 19302 4439 1 6 . 1 1 96 96 MET CA C 96 56.615 56.615 57.080 -0.465 19302 4440 1 6 . 1 1 96 96 MET CB C 96 32.723 32.723 32.641 0.082 19302 4441 1 6 . 1 1 96 96 MET H H 96 7.895 7.895 8.539 -0.644 19302 4442 1 6 . 1 1 97 97 SER N N 97 114.024 114.024 117.312 -3.288 19302 4443 1 6 . 1 1 97 97 SER HA H 97 4.648 4.648 4.436 0.212 19302 4444 1 6 . 1 1 97 97 SER C C 97 176.743 176.743 176.359 0.384 19302 4445 1 6 . 1 1 97 97 SER CA C 97 58.484 58.484 61.671 -3.187 19302 4446 1 6 . 1 1 97 97 SER CB C 97 65.103 65.103 62.953 2.150 19302 4447 1 6 . 1 1 97 97 SER H H 97 8.108 8.108 8.294 -0.186 19302 4448 1 6 . 1 1 98 98 GLU N N 98 124.701 124.701 121.071 3.630 19302 4449 1 6 . 1 1 98 98 GLU HA H 98 3.689 3.689 4.182 -0.493 19302 4450 1 6 . 1 1 98 98 GLU C C 98 178.994 178.994 178.121 0.873 19302 4451 1 6 . 1 1 98 98 GLU CA C 98 60.482 60.482 59.370 1.112 19302 4452 1 6 . 1 1 98 98 GLU CB C 98 29.096 29.096 29.473 -0.377 19302 4453 1 6 . 1 1 98 98 GLU H H 98 8.229 8.229 8.494 -0.265 19302 4454 1 6 . 1 1 99 99 GLN N N 99 117.637 117.637 117.582 0.055 19302 4455 1 6 . 1 1 99 99 GLN HA H 99 4.008 4.008 4.110 -0.102 19302 4456 1 6 . 1 1 99 99 GLN C C 99 176.402 176.402 177.445 -1.043 19302 4457 1 6 . 1 1 99 99 GLN CA C 99 58.127 58.127 58.408 -0.281 19302 4458 1 6 . 1 1 99 99 GLN CB C 99 28.135 28.135 29.316 -1.181 19302 4459 1 6 . 1 1 99 99 GLN H H 99 8.464 8.464 7.714 0.750 19302 4460 1 6 . 1 1 100 100 TYR N N 100 118.538 118.538 115.494 3.044 19302 4461 1 6 . 1 1 100 100 TYR HA H 100 4.512 4.512 4.668 -0.156 19302 4462 1 6 . 1 1 100 100 TYR C C 100 176.132 176.132 176.622 -0.490 19302 4463 1 6 . 1 1 100 100 TYR CA C 100 58.029 58.029 57.526 0.502 19302 4464 1 6 . 1 1 100 100 TYR CB C 100 39.600 39.600 39.762 -0.162 19302 4465 1 6 . 1 1 100 100 TYR H H 100 7.688 7.688 7.962 -0.274 19302 4466 1 6 . 1 1 101 101 PHE N N 101 121.713 121.713 122.594 -0.881 19302 4467 1 6 . 1 1 101 101 PHE HA H 101 4.098 4.098 4.551 -0.453 19302 4468 1 6 . 1 1 101 101 PHE C C 101 173.115 173.115 174.048 -0.933 19302 4469 1 6 . 1 1 101 101 PHE CA C 101 63.389 63.389 60.981 2.408 19302 4470 1 6 . 1 1 101 101 PHE CB C 101 37.438 37.438 36.934 0.504 19302 4471 1 6 . 1 1 101 101 PHE H H 101 7.916 7.916 9.260 -1.344 19302 4472 1 6 . 1 1 102 102 PRO HA H 102 4.078 4.078 3.852 0.226 19302 4473 1 6 . 1 1 102 102 PRO C C 102 179.371 179.371 178.057 1.314 19302 4474 1 6 . 1 1 102 102 PRO CA C 102 67.173 67.173 65.486 1.688 19302 4475 1 6 . 1 1 102 102 PRO CB C 102 30.497 30.497 30.802 -0.305 19302 4476 1 6 . 1 1 103 103 ALA N N 103 119.259 119.259 119.733 -0.474 19302 4477 1 6 . 1 1 103 103 ALA HA H 103 4.043 4.043 4.151 -0.108 19302 4478 1 6 . 1 1 103 103 ALA C C 103 180.693 180.693 179.933 0.760 19302 4479 1 6 . 1 1 103 103 ALA CA C 103 54.322 54.322 54.816 -0.494 19302 4480 1 6 . 1 1 103 103 ALA CB C 103 18.420 18.420 18.363 0.057 19302 4481 1 6 . 1 1 103 103 ALA H H 103 8.030 8.030 8.313 -0.283 19302 4482 1 6 . 1 1 104 104 LEU N N 104 121.207 121.207 118.676 2.531 19302 4483 1 6 . 1 1 104 104 LEU HA H 104 4.164 4.164 4.147 0.017 19302 4484 1 6 . 1 1 104 104 LEU C C 104 179.295 179.295 178.340 0.955 19302 4485 1 6 . 1 1 104 104 LEU CA C 104 58.235 58.235 57.605 0.630 19302 4486 1 6 . 1 1 104 104 LEU CB C 104 41.154 41.154 42.006 -0.852 19302 4487 1 6 . 1 1 104 104 LEU H H 104 7.161 7.161 7.536 -0.375 19302 4488 1 6 . 1 1 105 105 GLN N N 105 123.941 123.941 120.315 3.626 19302 4489 1 6 . 1 1 105 105 GLN HA H 105 3.451 3.451 3.940 -0.489 19302 4490 1 6 . 1 1 105 105 GLN C C 105 176.984 176.984 178.394 -1.410 19302 4491 1 6 . 1 1 105 105 GLN CA C 105 59.986 59.986 58.955 1.031 19302 4492 1 6 . 1 1 105 105 GLN CB C 105 27.878 27.878 28.267 -0.389 19302 4493 1 6 . 1 1 105 105 GLN H H 105 8.836 8.836 7.688 1.148 19302 4494 1 6 . 1 1 106 106 LYS N N 106 119.943 119.943 119.198 0.745 19302 4495 1 6 . 1 1 106 106 LYS HA H 106 3.752 3.752 4.004 -0.252 19302 4496 1 6 . 1 1 106 106 LYS C C 106 177.834 177.834 178.963 -1.129 19302 4497 1 6 . 1 1 106 106 LYS CA C 106 60.337 60.337 59.318 1.019 19302 4498 1 6 . 1 1 106 106 LYS CB C 106 32.380 32.380 32.227 0.153 19302 4499 1 6 . 1 1 106 106 LYS H H 106 7.692 7.692 8.374 -0.682 19302 4500 1 6 . 1 1 107 107 PHE N N 107 117.769 117.769 119.409 -1.640 19302 4501 1 6 . 1 1 107 107 PHE HA H 107 4.378 4.378 4.413 -0.035 19302 4502 1 6 . 1 1 107 107 PHE C C 107 176.089 176.089 177.346 -1.257 19302 4503 1 6 . 1 1 107 107 PHE CA C 107 60.327 60.327 61.873 -1.546 19302 4504 1 6 . 1 1 107 107 PHE CB C 107 40.477 40.477 39.712 0.765 19302 4505 1 6 . 1 1 107 107 PHE H H 107 7.514 7.514 7.578 -0.064 19302 4506 1 6 . 1 1 108 108 THR N N 108 112.966 112.966 115.957 -2.991 19302 4507 1 6 . 1 1 108 108 THR HA H 108 3.196 3.196 3.948 -0.752 19302 4508 1 6 . 1 1 108 108 THR C C 108 174.656 174.656 177.073 -2.417 19302 4509 1 6 . 1 1 108 108 THR CA C 108 67.885 67.885 66.523 1.362 19302 4510 1 6 . 1 1 108 108 THR CB C 108 69.292 69.292 68.191 1.101 19302 4511 1 6 . 1 1 108 108 THR H H 108 8.541 8.541 8.780 -0.239 19302 4512 1 6 . 1 1 109 109 VAL N N 109 118.515 118.515 123.007 -4.492 19302 4513 1 6 . 1 1 109 109 VAL HA H 109 3.953 3.953 3.610 0.343 19302 4514 1 6 . 1 1 109 109 VAL C C 109 178.009 178.009 178.197 -0.188 19302 4515 1 6 . 1 1 109 109 VAL CA C 109 65.110 65.110 66.671 -1.561 19302 4516 1 6 . 1 1 109 109 VAL CB C 109 32.327 32.327 31.617 0.710 19302 4517 1 6 . 1 1 109 109 VAL H H 109 8.065 8.065 7.824 0.241 19302 4518 1 6 . 1 1 110 110 LEU N N 110 118.627 118.627 118.604 0.023 19302 4519 1 6 . 1 1 110 110 LEU HA H 110 4.157 4.157 3.940 0.217 19302 4520 1 6 . 1 1 110 110 LEU C C 110 178.351 178.351 178.199 0.152 19302 4521 1 6 . 1 1 110 110 LEU CA C 110 57.133 57.133 57.451 -0.318 19302 4522 1 6 . 1 1 110 110 LEU CB C 110 40.985 40.985 41.471 -0.486 19302 4523 1 6 . 1 1 110 110 LEU H H 110 7.224 7.224 7.475 -0.251 19302 4524 1 6 . 1 1 111 111 ASP N N 111 119.092 119.092 120.047 -0.955 19302 4525 1 6 . 1 1 111 111 ASP HA H 111 4.325 4.325 4.584 -0.259 19302 4526 1 6 . 1 1 111 111 ASP C C 111 178.644 178.644 177.446 1.198 19302 4527 1 6 . 1 1 111 111 ASP CA C 111 57.243 57.243 56.810 0.433 19302 4528 1 6 . 1 1 111 111 ASP CB C 111 39.330 39.330 42.002 -2.672 19302 4529 1 6 . 1 1 111 111 ASP H H 111 7.719 7.719 8.123 -0.404 19302 4530 1 6 . 1 1 112 112 LEU N N 112 114.990 114.990 117.723 -2.733 19302 4531 1 6 . 1 1 112 112 LEU HA H 112 4.044 4.044 4.532 -0.488 19302 4532 1 6 . 1 1 112 112 LEU C C 112 177.936 177.936 176.734 1.202 19302 4533 1 6 . 1 1 112 112 LEU CA C 112 55.507 55.507 54.302 1.205 19302 4534 1 6 . 1 1 112 112 LEU CB C 112 42.142 42.142 43.999 -1.857 19302 4535 1 6 . 1 1 112 112 LEU H H 112 7.306 7.306 8.270 -0.964 19302 4536 1 6 . 1 1 113 113 GLY N N 113 108.097 108.097 108.259 -0.162 19302 4537 1 6 . 1 1 113 113 GLY C C 113 175.161 175.161 174.682 0.479 19302 4538 1 6 . 1 1 113 113 GLY CA C 113 47.080 47.080 46.337 0.743 19302 4539 1 6 . 1 1 113 113 GLY H H 113 6.651 6.651 7.862 -1.210 19302 4540 1 6 . 1 1 114 114 MET N N 114 119.916 119.916 118.619 1.297 19302 4541 1 6 . 1 1 114 114 MET HA H 114 4.441 4.441 4.496 -0.055 19302 4542 1 6 . 1 1 114 114 MET C C 114 174.467 174.467 175.694 -1.227 19302 4543 1 6 . 1 1 114 114 MET CA C 114 55.303 55.303 54.853 0.450 19302 4544 1 6 . 1 1 114 114 MET CB C 114 35.820 35.820 34.902 0.918 19302 4545 1 6 . 1 1 114 114 MET H H 114 8.107 8.107 7.669 0.438 19302 4546 1 6 . 1 1 115 115 VAL N N 115 120.592 120.592 121.199 -0.607 19302 4547 1 6 . 1 1 115 115 VAL HA H 115 3.723 3.723 4.325 -0.602 19302 4548 1 6 . 1 1 115 115 VAL C C 115 173.084 173.084 174.184 -1.100 19302 4549 1 6 . 1 1 115 115 VAL CA C 115 62.921 62.921 61.897 1.024 19302 4550 1 6 . 1 1 115 115 VAL CB C 115 33.192 33.192 31.818 1.374 19302 4551 1 6 . 1 1 115 115 VAL H H 115 7.414 7.414 8.215 -0.801 19302 4552 1 6 . 1 1 116 116 LEU N N 116 128.303 128.303 129.735 -1.432 19302 4553 1 6 . 1 1 116 116 LEU HA H 116 5.176 5.176 5.255 -0.079 19302 4554 1 6 . 1 1 116 116 LEU C C 116 175.304 175.304 176.764 -1.460 19302 4555 1 6 . 1 1 116 116 LEU CA C 116 53.335 53.335 54.422 -1.087 19302 4556 1 6 . 1 1 116 116 LEU CB C 116 45.512 45.512 43.407 2.105 19302 4557 1 6 . 1 1 116 116 LEU H H 116 7.872 7.872 8.629 -0.757 19302 4558 1 6 . 1 1 117 117 LEU N N 117 129.470 129.470 125.745 3.725 19302 4559 1 6 . 1 1 117 117 LEU HA H 117 4.922 4.922 4.832 0.090 19302 4560 1 6 . 1 1 117 117 LEU C C 117 173.512 173.512 174.893 -1.381 19302 4561 1 6 . 1 1 117 117 LEU CA C 117 51.061 51.061 52.246 -1.185 19302 4562 1 6 . 1 1 117 117 LEU CB C 117 43.824 43.824 44.495 -0.671 19302 4563 1 6 . 1 1 117 117 LEU H H 117 9.331 9.331 8.769 0.562 19302 4564 1 6 . 1 1 118 118 PRO HA H 118 5.167 5.167 4.532 0.635 19302 4565 1 6 . 1 1 118 118 PRO C C 118 176.784 176.784 176.361 0.423 19302 4566 1 6 . 1 1 118 118 PRO CA C 118 61.019 61.019 62.723 -1.704 19302 4567 1 6 . 1 1 118 118 PRO CB C 118 32.806 32.806 32.216 0.590 19302 4568 1 6 . 1 1 119 119 VAL N N 119 114.345 114.345 117.744 -3.399 19302 4569 1 6 . 1 1 119 119 VAL HA H 119 4.507 4.507 4.379 0.128 19302 4570 1 6 . 1 1 119 119 VAL C C 119 174.881 174.881 175.034 -0.153 19302 4571 1 6 . 1 1 119 119 VAL CA C 119 59.150 59.150 60.984 -1.834 19302 4572 1 6 . 1 1 119 119 VAL CB C 119 36.847 36.847 32.843 4.004 19302 4573 1 6 . 1 1 119 119 VAL H H 119 8.775 8.775 7.997 0.778 19302 4574 1 6 . 1 1 120 120 ALA N N 120 121.458 121.458 121.677 -0.219 19302 4575 1 6 . 1 1 120 120 ALA HA H 120 4.335 4.335 4.348 -0.013 19302 4576 1 6 . 1 1 120 120 ALA C C 120 177.637 177.637 176.146 1.491 19302 4577 1 6 . 1 1 120 120 ALA CA C 120 52.662 52.662 52.299 0.363 19302 4578 1 6 . 1 1 120 120 ALA CB C 120 19.817 19.817 19.999 -0.182 19302 4579 1 6 . 1 1 120 120 ALA H H 120 8.740 8.740 8.222 0.518 19302 4580 1 6 . 1 1 121 121 SER N N 121 106.201 106.201 113.970 -7.769 19302 4581 1 6 . 1 1 121 121 SER HA H 121 4.523 4.523 4.642 -0.119 19302 4582 1 6 . 1 1 121 121 SER C C 121 173.940 173.940 175.473 -1.533 19302 4583 1 6 . 1 1 121 121 SER CA C 121 56.668 56.668 56.990 -0.322 19302 4584 1 6 . 1 1 121 121 SER CB C 121 66.057 66.057 65.451 0.606 19302 4585 1 6 . 1 1 121 121 SER H H 121 7.147 7.147 7.710 -0.563 19302 4586 1 6 . 1 1 122 122 GLN N N 122 120.942 120.942 122.269 -1.327 19302 4587 1 6 . 1 1 122 122 GLN HA H 122 4.063 4.063 4.290 -0.227 19302 4588 1 6 . 1 1 122 122 GLN C C 122 178.350 178.350 177.669 0.681 19302 4589 1 6 . 1 1 122 122 GLN CA C 122 59.436 59.436 58.765 0.671 19302 4590 1 6 . 1 1 122 122 GLN CB C 122 29.018 29.018 28.775 0.243 19302 4591 1 6 . 1 1 122 122 GLN H H 122 9.055 9.055 9.023 0.032 19302 4592 1 6 . 1 1 123 123 MET N N 123 118.978 118.978 118.807 0.171 19302 4593 1 6 . 1 1 123 123 MET HA H 123 3.947 3.947 4.370 -0.423 19302 4594 1 6 . 1 1 123 123 MET C C 123 179.161 179.161 178.252 0.909 19302 4595 1 6 . 1 1 123 123 MET CA C 123 58.802 58.802 56.637 2.165 19302 4596 1 6 . 1 1 123 123 MET CB C 123 31.305 31.305 32.226 -0.921 19302 4597 1 6 . 1 1 123 123 MET H H 123 7.950 7.950 7.724 0.226 19302 4598 1 6 . 1 1 124 124 GLU N N 124 121.747 121.747 120.110 1.637 19302 4599 1 6 . 1 1 124 124 GLU HA H 124 3.897 3.897 3.886 0.011 19302 4600 1 6 . 1 1 124 124 GLU C C 124 179.272 179.272 178.903 0.369 19302 4601 1 6 . 1 1 124 124 GLU CA C 124 59.686 59.686 60.094 -0.408 19302 4602 1 6 . 1 1 124 124 GLU CB C 124 29.943 29.943 29.332 0.611 19302 4603 1 6 . 1 1 124 124 GLU H H 124 7.729 7.729 8.711 -0.982 19302 4604 1 6 . 1 1 125 125 ALA N N 125 121.208 121.208 122.195 -0.987 19302 4605 1 6 . 1 1 125 125 ALA HA H 125 3.827 3.827 3.951 -0.124 19302 4606 1 6 . 1 1 125 125 ALA C C 125 178.068 178.068 179.417 -1.349 19302 4607 1 6 . 1 1 125 125 ALA CA C 125 54.330 54.330 55.584 -1.254 19302 4608 1 6 . 1 1 125 125 ALA CB C 125 19.232 19.232 18.353 0.879 19302 4609 1 6 . 1 1 125 125 ALA H H 125 8.083 8.083 7.713 0.370 19302 4610 1 6 . 1 1 126 126 SER N N 126 114.095 114.095 115.066 -0.971 19302 4611 1 6 . 1 1 126 126 SER HA H 126 3.527 3.527 4.041 -0.514 19302 4612 1 6 . 1 1 126 126 SER C C 126 175.129 175.129 176.582 -1.453 19302 4613 1 6 . 1 1 126 126 SER CA C 126 62.161 62.161 61.756 0.405 19302 4614 1 6 . 1 1 126 126 SER CB C 126 69.705 69.705 62.850 6.855 19302 4615 1 6 . 1 1 126 126 SER H H 126 7.975 7.975 7.987 -0.012 19302 4616 1 6 . 1 1 127 127 CYS N N 127 119.210 119.210 120.187 -0.977 19302 4617 1 6 . 1 1 127 127 CYS HA H 127 3.819 3.819 4.332 -0.513 19302 4618 1 6 . 1 1 127 127 CYS C C 127 177.016 177.016 176.401 0.615 19302 4619 1 6 . 1 1 127 127 CYS CA C 127 62.351 62.351 62.449 -0.098 19302 4620 1 6 . 1 1 127 127 CYS CB C 127 26.714 26.714 27.075 -0.361 19302 4621 1 6 . 1 1 127 127 CYS H H 127 6.869 6.869 8.569 -1.700 19302 4622 1 6 . 1 1 128 128 LEU N N 128 122.342 122.342 122.024 0.318 19302 4623 1 6 . 1 1 128 128 LEU HA H 128 3.947 3.947 4.091 -0.144 19302 4624 1 6 . 1 1 128 128 LEU C C 128 178.010 178.010 178.748 -0.738 19302 4625 1 6 . 1 1 128 128 LEU CA C 128 57.860 57.860 58.033 -0.173 19302 4626 1 6 . 1 1 128 128 LEU CB C 128 41.951 41.951 42.222 -0.271 19302 4627 1 6 . 1 1 128 128 LEU H H 128 7.527 7.527 8.618 -1.091 19302 4628 1 6 . 1 1 129 129 VAL N N 129 119.021 119.021 119.354 -0.333 19302 4629 1 6 . 1 1 129 129 VAL HA H 129 3.035 3.035 3.717 -0.682 19302 4630 1 6 . 1 1 129 129 VAL C C 129 177.035 177.035 177.846 -0.811 19302 4631 1 6 . 1 1 129 129 VAL CA C 129 67.656 67.656 66.695 0.961 19302 4632 1 6 . 1 1 129 129 VAL CB C 129 30.898 30.898 31.696 -0.798 19302 4633 1 6 . 1 1 129 129 VAL H H 129 8.360 8.360 8.658 -0.298 19302 4634 1 6 . 1 1 130 130 ILE N N 130 117.913 117.913 119.955 -2.042 19302 4635 1 6 . 1 1 130 130 ILE HA H 130 3.292 3.292 3.493 -0.201 19302 4636 1 6 . 1 1 130 130 ILE C C 130 177.834 177.834 177.523 0.311 19302 4637 1 6 . 1 1 130 130 ILE CA C 130 64.592 64.592 65.349 -0.757 19302 4638 1 6 . 1 1 130 130 ILE CB C 130 36.970 36.970 37.642 -0.673 19302 4639 1 6 . 1 1 130 130 ILE H H 130 7.331 7.331 7.814 -0.483 19302 4640 1 6 . 1 1 131 131 GLN N N 131 120.359 120.359 119.144 1.215 19302 4641 1 6 . 1 1 131 131 GLN HA H 131 3.846 3.846 3.891 -0.045 19302 4642 1 6 . 1 1 131 131 GLN C C 131 178.708 178.708 178.174 0.534 19302 4643 1 6 . 1 1 131 131 GLN CA C 131 59.310 59.310 59.291 0.019 19302 4644 1 6 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.457 -0.355 19302 4645 1 6 . 1 1 131 131 GLN H H 131 7.505 7.505 7.807 -0.302 19302 4646 1 6 . 1 1 132 132 LEU N N 132 120.310 120.310 120.027 0.283 19302 4647 1 6 . 1 1 132 132 LEU HA H 132 3.848 3.848 3.928 -0.080 19302 4648 1 6 . 1 1 132 132 LEU C C 132 179.854 179.854 178.803 1.051 19302 4649 1 6 . 1 1 132 132 LEU CA C 132 57.975 57.975 58.170 -0.195 19302 4650 1 6 . 1 1 132 132 LEU CB C 132 41.902 41.902 41.744 0.158 19302 4651 1 6 . 1 1 132 132 LEU H H 132 8.270 8.270 7.384 0.886 19302 4652 1 6 . 1 1 133 133 VAL N N 133 120.909 120.909 118.988 1.921 19302 4653 1 6 . 1 1 133 133 VAL HA H 133 4.004 4.004 3.510 0.494 19302 4654 1 6 . 1 1 133 133 VAL C C 133 178.791 178.791 178.129 0.662 19302 4655 1 6 . 1 1 133 133 VAL CA C 133 58.026 58.026 67.085 -9.059 19302 4656 1 6 . 1 1 133 133 VAL CB C 133 32.475 32.475 31.290 1.185 19302 4657 1 6 . 1 1 133 133 VAL H H 133 8.162 8.162 7.388 0.774 19302 4658 1 6 . 1 1 134 134 GLN N N 134 120.073 120.073 119.282 0.791 19302 4659 1 6 . 1 1 134 134 GLN HA H 134 3.943 3.943 3.795 0.148 19302 4660 1 6 . 1 1 134 134 GLN C C 134 178.374 178.374 177.666 0.708 19302 4661 1 6 . 1 1 134 134 GLN CA C 134 57.164 57.164 59.464 -2.300 19302 4662 1 6 . 1 1 134 134 GLN CB C 134 29.632 29.632 28.660 0.972 19302 4663 1 6 . 1 1 134 134 GLN H H 134 7.837 7.837 7.896 -0.059 19302 4664 1 6 . 1 1 135 135 GLU N N 135 118.639 118.639 117.014 1.625 19302 4665 1 6 . 1 1 135 135 GLU HA H 135 3.902 3.902 4.113 -0.211 19302 4666 1 6 . 1 1 135 135 GLU C C 135 177.986 177.986 179.189 -1.203 19302 4667 1 6 . 1 1 135 135 GLU CA C 135 58.266 58.266 58.363 -0.097 19302 4668 1 6 . 1 1 135 135 GLU CB C 135 29.593 29.593 29.543 0.050 19302 4669 1 6 . 1 1 135 135 GLU H H 135 7.989 7.989 8.070 -0.081 19302 4670 1 6 . 1 1 136 136 GLN N N 136 118.352 118.352 118.364 -0.012 19302 4671 1 6 . 1 1 136 136 GLN HA H 136 3.994 3.994 4.257 -0.263 19302 4672 1 6 . 1 1 136 136 GLN C C 136 176.807 176.807 177.416 -0.609 19302 4673 1 6 . 1 1 136 136 GLN CA C 136 56.762 56.762 58.130 -1.368 19302 4674 1 6 . 1 1 136 136 GLN CB C 136 28.835 28.835 29.739 -0.904 19302 4675 1 6 . 1 1 136 136 GLN H H 136 7.845 7.845 7.823 0.022 19302 4676 1 6 . 1 1 137 137 THR N N 137 113.953 113.953 112.092 1.861 19302 4677 1 6 . 1 1 137 137 THR HA H 137 4.163 4.163 4.443 -0.280 19302 4678 1 6 . 1 1 137 137 THR C C 137 174.267 174.267 172.923 1.344 19302 4679 1 6 . 1 1 137 137 THR CA C 137 64.611 64.611 60.497 4.114 19302 4680 1 6 . 1 1 137 137 THR CB C 137 69.280 69.280 68.781 0.499 19302 4681 1 6 . 1 1 137 137 THR H H 137 7.847 7.847 8.282 -0.435 19302 4682 1 6 . 1 1 138 138 LYS N N 138 122.289 122.289 123.506 -1.217 19302 4683 1 6 . 1 1 138 138 LYS C C 138 176.119 176.119 175.743 0.376 19302 4684 1 6 . 1 1 138 138 LYS CA C 138 56.329 56.329 57.565 -1.236 19302 4685 1 6 . 1 1 138 138 LYS CB C 138 32.891 32.891 31.905 0.986 19302 4686 1 6 . 1 1 138 138 LYS H H 138 7.607 7.607 7.596 0.011 19302 4687 1 7 . 1 1 2 2 GLU N N 2 123.078 123.078 119.843 3.235 19302 4688 1 7 . 1 1 2 2 GLU HA H 2 4.160 4.160 4.538 -0.378 19302 4689 1 7 . 1 1 2 2 GLU C C 2 175.765 175.765 175.817 -0.052 19302 4690 1 7 . 1 1 2 2 GLU CA C 2 56.353 56.353 56.533 -0.180 19302 4691 1 7 . 1 1 2 2 GLU CB C 2 30.041 30.041 31.439 -1.398 19302 4692 1 7 . 1 1 2 2 GLU H H 2 8.313 8.313 8.486 -0.173 19302 4693 1 7 . 1 1 3 3 LYS N N 3 124.091 124.091 122.661 1.430 19302 4694 1 7 . 1 1 3 3 LYS HA H 3 4.013 4.013 4.307 -0.294 19302 4695 1 7 . 1 1 3 3 LYS C C 3 174.713 174.713 175.320 -0.607 19302 4696 1 7 . 1 1 3 3 LYS CA C 3 56.240 56.240 56.614 -0.374 19302 4697 1 7 . 1 1 3 3 LYS CB C 3 33.400 33.400 31.925 1.475 19302 4698 1 7 . 1 1 3 3 LYS H H 3 8.243 8.243 8.193 0.050 19302 4699 1 7 . 1 1 4 4 ASN N N 4 121.184 121.184 123.028 -1.844 19302 4700 1 7 . 1 1 4 4 ASN C C 4 172.940 172.940 172.741 0.199 19302 4701 1 7 . 1 1 4 4 ASN CA C 4 50.404 50.404 51.245 -0.841 19302 4702 1 7 . 1 1 4 4 ASN CB C 4 41.212 41.212 39.296 1.916 19302 4703 1 7 . 1 1 4 4 ASN H H 4 8.086 8.086 7.991 0.095 19302 4704 1 7 . 1 1 6 6 PRO HA H 6 4.222 4.222 4.292 -0.070 19302 4705 1 7 . 1 1 6 6 PRO C C 6 176.390 176.390 175.898 0.492 19302 4706 1 7 . 1 1 6 6 PRO CA C 6 63.267 63.267 63.972 -0.705 19302 4707 1 7 . 1 1 6 6 PRO CB C 6 32.008 32.008 31.541 0.467 19302 4708 1 7 . 1 1 7 7 ASP N N 7 120.412 120.412 125.716 -5.304 19302 4709 1 7 . 1 1 7 7 ASP HA H 7 4.402 4.402 4.737 -0.335 19302 4710 1 7 . 1 1 7 7 ASP C C 7 175.911 175.911 175.216 0.695 19302 4711 1 7 . 1 1 7 7 ASP CA C 7 54.248 54.248 53.148 1.099 19302 4712 1 7 . 1 1 7 7 ASP CB C 7 41.210 41.210 40.997 0.213 19302 4713 1 7 . 1 1 7 7 ASP H H 7 8.175 8.175 8.535 -0.360 19302 4714 1 7 . 1 1 8 8 ASP N N 8 121.448 121.448 117.804 3.644 19302 4715 1 7 . 1 1 8 8 ASP HA H 8 4.554 4.554 4.370 0.184 19302 4716 1 7 . 1 1 8 8 ASP C C 8 176.334 176.334 176.226 0.108 19302 4717 1 7 . 1 1 8 8 ASP CA C 8 54.240 54.240 54.816 -0.576 19302 4718 1 7 . 1 1 8 8 ASP CB C 8 41.354 41.354 39.592 1.762 19302 4719 1 7 . 1 1 8 8 ASP H H 8 8.080 8.080 8.285 -0.205 19302 4720 1 7 . 1 1 9 9 THR N N 9 114.376 114.376 110.588 3.788 19302 4721 1 7 . 1 1 9 9 THR HA H 9 4.170 4.170 4.102 0.068 19302 4722 1 7 . 1 1 9 9 THR C C 9 174.565 174.565 174.670 -0.105 19302 4723 1 7 . 1 1 9 9 THR CA C 9 62.018 62.018 63.298 -1.280 19302 4724 1 7 . 1 1 9 9 THR CB C 9 69.655 69.655 69.080 0.575 19302 4725 1 7 . 1 1 9 9 THR H H 9 7.982 7.982 8.240 -0.258 19302 4726 1 7 . 1 1 10 10 GLY N N 10 111.726 111.726 107.728 3.998 19302 4727 1 7 . 1 1 10 10 GLY C C 10 171.287 171.287 172.603 -1.316 19302 4728 1 7 . 1 1 10 10 GLY CA C 10 44.627 44.627 45.046 -0.419 19302 4729 1 7 . 1 1 10 10 GLY H H 10 8.051 8.051 7.615 0.436 19302 4730 1 7 . 1 1 11 11 PRO HA H 11 4.298 4.298 4.608 -0.310 19302 4731 1 7 . 1 1 11 11 PRO C C 11 176.417 176.417 175.498 0.919 19302 4732 1 7 . 1 1 11 11 PRO CA C 11 63.173 63.173 63.138 0.035 19302 4733 1 7 . 1 1 11 11 PRO CB C 11 32.419 32.419 32.825 -0.406 19302 4734 1 7 . 1 1 12 12 VAL N N 12 120.990 120.990 121.033 -0.043 19302 4735 1 7 . 1 1 12 12 VAL HA H 12 3.757 3.757 4.188 -0.431 19302 4736 1 7 . 1 1 12 12 VAL C C 12 174.604 174.604 176.216 -1.612 19302 4737 1 7 . 1 1 12 12 VAL CA C 12 61.747 61.747 61.693 0.054 19302 4738 1 7 . 1 1 12 12 VAL CB C 12 33.506 33.506 33.033 0.473 19302 4739 1 7 . 1 1 12 12 VAL H H 12 7.667 7.667 7.998 -0.331 19302 4740 1 7 . 1 1 13 13 HIS N N 13 123.020 123.020 124.907 -1.887 19302 4741 1 7 . 1 1 13 13 HIS HA H 13 4.387 4.387 4.142 0.245 19302 4742 1 7 . 1 1 13 13 HIS C C 13 173.601 173.601 175.107 -1.506 19302 4743 1 7 . 1 1 13 13 HIS CA C 13 55.731 55.731 58.845 -3.114 19302 4744 1 7 . 1 1 13 13 HIS CB C 13 30.039 30.039 28.600 1.439 19302 4745 1 7 . 1 1 13 13 HIS H H 13 8.088 8.088 9.121 -1.033 19302 4746 1 7 . 1 1 14 14 VAL N N 14 126.633 126.633 115.739 10.894 19302 4747 1 7 . 1 1 14 14 VAL HA H 14 3.941 3.941 4.637 -0.696 19302 4748 1 7 . 1 1 14 14 VAL C C 14 173.591 173.591 174.235 -0.644 19302 4749 1 7 . 1 1 14 14 VAL CA C 14 59.095 59.095 59.074 0.021 19302 4750 1 7 . 1 1 14 14 VAL CB C 14 32.976 32.976 33.118 -0.142 19302 4751 1 7 . 1 1 14 14 VAL H H 14 8.128 8.128 8.447 -0.319 19302 4752 1 7 . 1 1 15 15 PRO HA H 15 4.042 4.042 4.478 -0.436 19302 4753 1 7 . 1 1 15 15 PRO C C 15 175.581 175.581 175.977 -0.396 19302 4754 1 7 . 1 1 15 15 PRO CA C 15 62.314 62.314 62.925 -0.611 19302 4755 1 7 . 1 1 15 15 PRO CB C 15 31.352 31.352 29.980 1.372 19302 4756 1 7 . 1 1 16 16 LEU N N 16 122.170 122.170 121.507 0.663 19302 4757 1 7 . 1 1 16 16 LEU HA H 16 4.073 4.073 4.228 -0.155 19302 4758 1 7 . 1 1 16 16 LEU C C 16 180.683 180.683 176.887 3.796 19302 4759 1 7 . 1 1 16 16 LEU CA C 16 56.442 56.442 54.909 1.533 19302 4760 1 7 . 1 1 16 16 LEU CB C 16 41.855 41.855 42.191 -0.335 19302 4761 1 7 . 1 1 16 16 LEU H H 16 8.070 8.070 7.961 0.109 19302 4762 1 7 . 1 1 17 17 GLY N N 17 114.931 114.931 105.758 9.173 19302 4763 1 7 . 1 1 17 17 GLY C C 17 173.075 173.075 174.199 -1.124 19302 4764 1 7 . 1 1 17 17 GLY CA C 17 45.757 45.757 45.073 0.684 19302 4765 1 7 . 1 1 17 17 GLY H H 17 9.325 9.325 7.773 1.552 19302 4766 1 7 . 1 1 18 18 HIS N N 18 117.638 117.638 116.087 1.551 19302 4767 1 7 . 1 1 18 18 HIS HA H 18 5.386 5.386 4.748 0.638 19302 4768 1 7 . 1 1 18 18 HIS C C 18 173.186 173.186 173.623 -0.437 19302 4769 1 7 . 1 1 18 18 HIS CA C 18 54.007 54.007 54.107 -0.100 19302 4770 1 7 . 1 1 18 18 HIS CB C 18 31.691 31.691 31.054 0.637 19302 4771 1 7 . 1 1 18 18 HIS H H 18 7.803 7.803 6.632 1.171 19302 4772 1 7 . 1 1 19 19 ILE N N 19 114.669 114.669 118.771 -4.102 19302 4773 1 7 . 1 1 19 19 ILE HA H 19 4.372 4.372 4.394 -0.022 19302 4774 1 7 . 1 1 19 19 ILE C C 19 174.449 174.449 174.675 -0.226 19302 4775 1 7 . 1 1 19 19 ILE CA C 19 60.368 60.368 60.367 0.001 19302 4776 1 7 . 1 1 19 19 ILE CB C 19 42.044 42.044 41.749 0.295 19302 4777 1 7 . 1 1 19 19 ILE H H 19 8.059 8.059 7.928 0.131 19302 4778 1 7 . 1 1 20 20 VAL N N 20 124.211 124.211 124.988 -0.777 19302 4779 1 7 . 1 1 20 20 VAL HA H 20 4.730 4.730 4.940 -0.210 19302 4780 1 7 . 1 1 20 20 VAL C C 20 174.104 174.104 174.651 -0.547 19302 4781 1 7 . 1 1 20 20 VAL CA C 20 61.322 61.322 60.806 0.516 19302 4782 1 7 . 1 1 20 20 VAL CB C 20 33.255 33.255 34.150 -0.895 19302 4783 1 7 . 1 1 20 20 VAL H H 20 7.525 7.525 8.208 -0.683 19302 4784 1 7 . 1 1 21 21 ALA N N 21 131.125 131.125 127.756 3.369 19302 4785 1 7 . 1 1 21 21 ALA HA H 21 5.095 5.095 5.479 -0.384 19302 4786 1 7 . 1 1 21 21 ALA C C 21 175.389 175.389 175.561 -0.172 19302 4787 1 7 . 1 1 21 21 ALA CA C 21 49.175 49.175 49.394 -0.219 19302 4788 1 7 . 1 1 21 21 ALA CB C 21 24.297 24.297 22.758 1.539 19302 4789 1 7 . 1 1 21 21 ALA H H 21 9.395 9.395 9.277 0.118 19302 4790 1 7 . 1 1 22 22 ASN N N 22 120.999 120.999 122.110 -1.111 19302 4791 1 7 . 1 1 22 22 ASN HA H 22 4.805 4.805 5.100 -0.295 19302 4792 1 7 . 1 1 22 22 ASN C C 22 176.336 176.336 177.185 -0.849 19302 4793 1 7 . 1 1 22 22 ASN CA C 22 54.289 54.289 52.586 1.703 19302 4794 1 7 . 1 1 22 22 ASN CB C 22 39.822 39.822 40.104 -0.282 19302 4795 1 7 . 1 1 22 22 ASN H H 22 8.345 8.345 8.302 0.043 19302 4796 1 7 . 1 1 23 23 GLU N N 23 128.726 128.726 128.091 0.635 19302 4797 1 7 . 1 1 23 23 GLU HA H 23 3.927 3.927 4.007 -0.080 19302 4798 1 7 . 1 1 23 23 GLU C C 23 176.348 176.348 176.731 -0.383 19302 4799 1 7 . 1 1 23 23 GLU CA C 23 59.171 59.171 59.545 -0.374 19302 4800 1 7 . 1 1 23 23 GLU CB C 23 30.365 30.365 29.636 0.729 19302 4801 1 7 . 1 1 23 23 GLU H H 23 7.951 7.951 8.785 -0.834 19302 4802 1 7 . 1 1 24 24 LYS N N 24 119.166 119.166 117.433 1.733 19302 4803 1 7 . 1 1 24 24 LYS HA H 24 3.895 3.895 4.206 -0.311 19302 4804 1 7 . 1 1 24 24 LYS C C 24 176.782 176.782 178.487 -1.705 19302 4805 1 7 . 1 1 24 24 LYS CA C 24 58.379 58.379 58.539 -0.161 19302 4806 1 7 . 1 1 24 24 LYS CB C 24 30.846 30.846 32.617 -1.771 19302 4807 1 7 . 1 1 24 24 LYS H H 24 8.583 8.583 8.256 0.327 19302 4808 1 7 . 1 1 25 25 TRP N N 25 118.053 118.053 120.654 -2.601 19302 4809 1 7 . 1 1 25 25 TRP HA H 25 4.326 4.326 4.685 -0.359 19302 4810 1 7 . 1 1 25 25 TRP C C 25 177.280 177.280 176.510 0.770 19302 4811 1 7 . 1 1 25 25 TRP CA C 25 56.722 56.722 57.709 -0.987 19302 4812 1 7 . 1 1 25 25 TRP CB C 25 29.506 29.506 29.757 -0.251 19302 4813 1 7 . 1 1 25 25 TRP H H 25 8.169 8.169 8.373 -0.204 19302 4814 1 7 . 1 1 26 26 ARG N N 26 127.838 127.838 120.463 7.375 19302 4815 1 7 . 1 1 26 26 ARG HA H 26 3.302 3.302 3.987 -0.685 19302 4816 1 7 . 1 1 26 26 ARG C C 26 177.506 177.506 176.614 0.892 19302 4817 1 7 . 1 1 26 26 ARG CA C 26 59.147 59.147 57.610 1.537 19302 4818 1 7 . 1 1 26 26 ARG CB C 26 29.305 29.305 29.936 -0.630 19302 4819 1 7 . 1 1 26 26 ARG H H 26 7.879 7.879 7.513 0.366 19302 4820 1 7 . 1 1 27 27 GLY N N 27 116.455 116.455 107.013 9.442 19302 4821 1 7 . 1 1 27 27 GLY C C 27 174.037 174.037 173.962 0.075 19302 4822 1 7 . 1 1 27 27 GLY CA C 27 45.513 45.513 44.932 0.581 19302 4823 1 7 . 1 1 27 27 GLY H H 27 8.968 8.968 7.574 1.394 19302 4824 1 7 . 1 1 28 28 SER N N 28 115.316 115.316 113.633 1.683 19302 4825 1 7 . 1 1 28 28 SER HA H 28 4.357 4.357 4.383 -0.026 19302 4826 1 7 . 1 1 28 28 SER C C 28 174.705 174.705 174.450 0.255 19302 4827 1 7 . 1 1 28 28 SER CA C 28 58.055 58.055 56.503 1.552 19302 4828 1 7 . 1 1 28 28 SER CB C 28 65.852 65.852 64.537 1.315 19302 4829 1 7 . 1 1 28 28 SER H H 28 7.718 7.718 6.897 0.821 19302 4830 1 7 . 1 1 29 29 GLN N N 29 124.252 124.252 125.006 -0.754 19302 4831 1 7 . 1 1 29 29 GLN HA H 29 3.940 3.940 3.998 -0.058 19302 4832 1 7 . 1 1 29 29 GLN C C 29 178.221 178.221 176.712 1.509 19302 4833 1 7 . 1 1 29 29 GLN CA C 29 59.678 59.678 57.861 1.817 19302 4834 1 7 . 1 1 29 29 GLN CB C 29 27.932 27.932 28.657 -0.725 19302 4835 1 7 . 1 1 29 29 GLN H H 29 8.987 8.987 8.739 0.248 19302 4836 1 7 . 1 1 30 30 LEU N N 30 119.516 119.516 120.554 -1.038 19302 4837 1 7 . 1 1 30 30 LEU HA H 30 3.649 3.649 4.100 -0.451 19302 4838 1 7 . 1 1 30 30 LEU C C 30 177.674 177.674 178.870 -1.196 19302 4839 1 7 . 1 1 30 30 LEU CA C 30 59.240 59.240 58.295 0.945 19302 4840 1 7 . 1 1 30 30 LEU CB C 30 42.377 42.377 41.125 1.252 19302 4841 1 7 . 1 1 30 30 LEU H H 30 8.469 8.469 7.759 0.710 19302 4842 1 7 . 1 1 31 31 ALA N N 31 118.887 118.887 119.831 -0.944 19302 4843 1 7 . 1 1 31 31 ALA HA H 31 3.787 3.787 3.991 -0.204 19302 4844 1 7 . 1 1 31 31 ALA C C 31 179.914 179.914 179.776 0.138 19302 4845 1 7 . 1 1 31 31 ALA CA C 31 55.346 55.346 55.211 0.135 19302 4846 1 7 . 1 1 31 31 ALA CB C 31 18.725 18.725 18.146 0.579 19302 4847 1 7 . 1 1 31 31 ALA H H 31 7.965 7.965 8.344 -0.379 19302 4848 1 7 . 1 1 32 32 GLN N N 32 119.187 119.187 116.737 2.450 19302 4849 1 7 . 1 1 32 32 GLN HA H 32 3.874 3.874 4.149 -0.275 19302 4850 1 7 . 1 1 32 32 GLN C C 32 179.160 179.160 178.395 0.765 19302 4851 1 7 . 1 1 32 32 GLN CA C 32 59.072 59.072 58.404 0.668 19302 4852 1 7 . 1 1 32 32 GLN CB C 32 28.676 28.676 28.419 0.257 19302 4853 1 7 . 1 1 32 32 GLN H H 32 8.292 8.292 8.105 0.187 19302 4854 1 7 . 1 1 33 33 GLU N N 33 117.845 117.845 119.243 -1.398 19302 4855 1 7 . 1 1 33 33 GLU HA H 33 3.932 3.932 4.232 -0.300 19302 4856 1 7 . 1 1 33 33 GLU C C 33 178.487 178.487 178.491 -0.004 19302 4857 1 7 . 1 1 33 33 GLU CA C 33 57.948 57.948 58.465 -0.517 19302 4858 1 7 . 1 1 33 33 GLU CB C 33 29.221 29.221 29.565 -0.344 19302 4859 1 7 . 1 1 33 33 GLU H H 33 8.157 8.157 8.155 0.002 19302 4860 1 7 . 1 1 34 34 MET N N 34 116.546 116.546 118.926 -2.380 19302 4861 1 7 . 1 1 34 34 MET HA H 34 3.911 3.911 3.966 -0.055 19302 4862 1 7 . 1 1 34 34 MET C C 34 176.992 176.992 177.964 -0.972 19302 4863 1 7 . 1 1 34 34 MET CA C 34 58.485 58.485 59.555 -1.070 19302 4864 1 7 . 1 1 34 34 MET CB C 34 34.045 34.045 32.190 1.855 19302 4865 1 7 . 1 1 34 34 MET H H 34 7.452 7.452 7.590 -0.138 19302 4866 1 7 . 1 1 35 35 GLN N N 35 118.259 118.259 116.145 2.114 19302 4867 1 7 . 1 1 35 35 GLN HA H 35 4.219 4.219 4.469 -0.250 19302 4868 1 7 . 1 1 35 35 GLN C C 35 176.544 176.544 178.261 -1.717 19302 4869 1 7 . 1 1 35 35 GLN CA C 35 58.039 58.039 57.123 0.916 19302 4870 1 7 . 1 1 35 35 GLN CB C 35 28.381 28.381 28.086 0.295 19302 4871 1 7 . 1 1 35 35 GLN H H 35 7.605 7.605 7.774 -0.170 19302 4872 1 7 . 1 1 36 36 GLY N N 36 110.354 110.354 107.577 2.777 19302 4873 1 7 . 1 1 36 36 GLY C C 36 174.291 174.291 174.815 -0.524 19302 4874 1 7 . 1 1 36 36 GLY CA C 36 45.517 45.517 45.957 -0.440 19302 4875 1 7 . 1 1 36 36 GLY H H 36 8.178 8.178 8.619 -0.441 19302 4876 1 7 . 1 1 37 37 LYS N N 37 119.406 119.406 118.031 1.375 19302 4877 1 7 . 1 1 37 37 LYS HA H 37 4.254 4.254 4.479 -0.225 19302 4878 1 7 . 1 1 37 37 LYS C C 37 175.387 175.387 176.320 -0.933 19302 4879 1 7 . 1 1 37 37 LYS CA C 37 57.173 57.173 56.228 0.945 19302 4880 1 7 . 1 1 37 37 LYS CB C 37 35.261 35.261 35.093 0.168 19302 4881 1 7 . 1 1 37 37 LYS H H 37 7.837 7.837 7.673 0.164 19302 4882 1 7 . 1 1 38 38 ILE N N 38 118.201 118.201 121.331 -3.130 19302 4883 1 7 . 1 1 38 38 ILE HA H 38 4.138 4.138 4.274 -0.136 19302 4884 1 7 . 1 1 38 38 ILE C C 38 172.937 172.937 174.042 -1.105 19302 4885 1 7 . 1 1 38 38 ILE CA C 38 59.055 59.055 58.941 0.114 19302 4886 1 7 . 1 1 38 38 ILE CB C 38 41.631 41.631 40.859 0.772 19302 4887 1 7 . 1 1 38 38 ILE H H 38 7.821 7.821 7.790 0.031 19302 4888 1 7 . 1 1 39 39 LYS N N 39 122.826 122.826 124.592 -1.766 19302 4889 1 7 . 1 1 39 39 LYS HA H 39 4.187 4.187 4.464 -0.277 19302 4890 1 7 . 1 1 39 39 LYS C C 39 174.751 174.751 174.696 0.055 19302 4891 1 7 . 1 1 39 39 LYS CA C 39 55.865 55.865 56.217 -0.352 19302 4892 1 7 . 1 1 39 39 LYS CB C 39 33.007 33.007 33.721 -0.714 19302 4893 1 7 . 1 1 39 39 LYS H H 39 7.126 7.126 8.587 -1.461 19302 4894 1 7 . 1 1 40 40 LEU N N 40 124.298 124.298 124.259 0.039 19302 4895 1 7 . 1 1 40 40 LEU HA H 40 4.667 4.667 5.137 -0.470 19302 4896 1 7 . 1 1 40 40 LEU C C 40 176.473 176.473 175.513 0.960 19302 4897 1 7 . 1 1 40 40 LEU CA C 40 54.607 54.607 53.781 0.827 19302 4898 1 7 . 1 1 40 40 LEU CB C 40 44.102 44.102 45.160 -1.058 19302 4899 1 7 . 1 1 40 40 LEU H H 40 8.102 8.102 8.298 -0.196 19302 4900 1 7 . 1 1 41 41 ILE N N 41 124.128 124.128 125.851 -1.723 19302 4901 1 7 . 1 1 41 41 ILE HA H 41 4.092 4.092 4.244 -0.152 19302 4902 1 7 . 1 1 41 41 ILE C C 41 174.360 174.360 174.591 -0.231 19302 4903 1 7 . 1 1 41 41 ILE CA C 41 60.208 60.208 60.085 0.123 19302 4904 1 7 . 1 1 41 41 ILE CB C 41 40.867 40.867 40.100 0.767 19302 4905 1 7 . 1 1 41 41 ILE H H 41 8.208 8.208 8.996 -0.788 19302 4906 1 7 . 1 1 42 42 PHE N N 42 125.226 125.226 127.516 -2.290 19302 4907 1 7 . 1 1 42 42 PHE HA H 42 5.501 5.501 5.169 0.332 19302 4908 1 7 . 1 1 42 42 PHE C C 42 176.313 176.313 176.083 0.230 19302 4909 1 7 . 1 1 42 42 PHE CA C 42 57.720 57.720 57.427 0.293 19302 4910 1 7 . 1 1 42 42 PHE CB C 42 41.630 41.630 39.497 2.133 19302 4911 1 7 . 1 1 42 42 PHE H H 42 8.636 8.636 8.787 -0.151 19302 4912 1 7 . 1 1 43 43 GLU N N 43 121.397 121.397 124.450 -3.053 19302 4913 1 7 . 1 1 43 43 GLU HA H 43 4.643 4.643 4.692 -0.049 19302 4914 1 7 . 1 1 43 43 GLU C C 43 175.211 175.211 174.814 0.397 19302 4915 1 7 . 1 1 43 43 GLU CA C 43 55.131 55.131 54.997 0.134 19302 4916 1 7 . 1 1 43 43 GLU CB C 43 33.367 33.367 34.095 -0.728 19302 4917 1 7 . 1 1 43 43 GLU H H 43 8.589 8.589 9.288 -0.699 19302 4918 1 7 . 1 1 44 44 ASP N N 44 124.759 124.759 124.393 0.366 19302 4919 1 7 . 1 1 44 44 ASP HA H 44 4.708 4.708 4.673 0.035 19302 4920 1 7 . 1 1 44 44 ASP C C 44 177.308 177.308 176.213 1.095 19302 4921 1 7 . 1 1 44 44 ASP CA C 44 53.737 53.737 54.217 -0.479 19302 4922 1 7 . 1 1 44 44 ASP CB C 44 42.365 42.365 40.518 1.847 19302 4923 1 7 . 1 1 44 44 ASP H H 44 8.729 8.729 8.811 -0.082 19302 4924 1 7 . 1 1 45 45 GLY N N 45 108.414 108.414 113.228 -4.814 19302 4925 1 7 . 1 1 45 45 GLY C C 45 174.426 174.426 173.793 0.633 19302 4926 1 7 . 1 1 45 45 GLY CA C 45 46.367 46.367 45.203 1.165 19302 4927 1 7 . 1 1 45 45 GLY H H 45 8.564 8.564 8.296 0.268 19302 4928 1 7 . 1 1 46 46 LEU N N 46 119.025 119.025 122.370 -3.345 19302 4929 1 7 . 1 1 46 46 LEU HA H 46 4.356 4.356 4.406 -0.050 19302 4930 1 7 . 1 1 46 46 LEU C C 46 177.414 177.414 177.251 0.163 19302 4931 1 7 . 1 1 46 46 LEU CA C 46 54.189 54.189 55.518 -1.329 19302 4932 1 7 . 1 1 46 46 LEU CB C 46 43.853 43.853 42.057 1.796 19302 4933 1 7 . 1 1 46 46 LEU H H 46 7.130 7.130 7.875 -0.745 19302 4934 1 7 . 1 1 47 47 THR N N 47 117.926 117.926 115.342 2.584 19302 4935 1 7 . 1 1 47 47 THR HA H 47 4.326 4.326 4.487 -0.161 19302 4936 1 7 . 1 1 47 47 THR CA C 47 67.458 67.458 63.130 4.328 19302 4937 1 7 . 1 1 47 47 THR H H 47 9.042 9.042 8.381 0.661 19302 4938 1 7 . 1 1 48 48 PRO HA H 48 4.163 4.163 4.356 -0.193 19302 4939 1 7 . 1 1 48 48 PRO CA C 48 62.301 62.301 62.972 -0.671 19302 4940 1 7 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.691 -1.167 19302 4941 1 7 . 1 1 49 49 ASP N N 49 116.671 116.671 118.314 -1.643 19302 4942 1 7 . 1 1 49 49 ASP HA H 49 4.336 4.336 4.443 -0.107 19302 4943 1 7 . 1 1 49 49 ASP C C 49 174.082 174.082 176.036 -1.954 19302 4944 1 7 . 1 1 49 49 ASP CA C 49 58.985 58.985 56.695 2.290 19302 4945 1 7 . 1 1 49 49 ASP CB C 49 43.773 43.773 41.472 2.301 19302 4946 1 7 . 1 1 49 49 ASP H H 49 7.731 7.731 7.822 -0.091 19302 4947 1 7 . 1 1 50 50 PHE N N 50 109.227 109.227 116.029 -6.802 19302 4948 1 7 . 1 1 50 50 PHE HA H 50 5.488 5.488 5.727 -0.239 19302 4949 1 7 . 1 1 50 50 PHE C C 50 175.293 175.293 175.251 0.042 19302 4950 1 7 . 1 1 50 50 PHE CA C 50 55.516 55.516 56.210 -0.694 19302 4951 1 7 . 1 1 50 50 PHE CB C 50 43.280 43.280 43.421 -0.141 19302 4952 1 7 . 1 1 50 50 PHE H H 50 7.324 7.324 7.742 -0.418 19302 4953 1 7 . 1 1 51 51 TYR N N 51 122.688 122.688 120.406 2.282 19302 4954 1 7 . 1 1 51 51 TYR HA H 51 4.717 4.717 4.853 -0.136 19302 4955 1 7 . 1 1 51 51 TYR C C 51 174.427 174.427 175.096 -0.669 19302 4956 1 7 . 1 1 51 51 TYR CA C 51 59.097 59.097 58.126 0.971 19302 4957 1 7 . 1 1 51 51 TYR CB C 51 39.893 39.893 40.118 -0.225 19302 4958 1 7 . 1 1 51 51 TYR H H 51 9.944 9.944 8.474 1.470 19302 4959 1 7 . 1 1 52 52 LEU N N 52 121.948 121.948 127.527 -5.579 19302 4960 1 7 . 1 1 52 52 LEU HA H 52 4.231 4.231 4.456 -0.225 19302 4961 1 7 . 1 1 52 52 LEU C C 52 175.771 175.771 176.896 -1.125 19302 4962 1 7 . 1 1 52 52 LEU CA C 52 55.320 55.320 56.033 -0.713 19302 4963 1 7 . 1 1 52 52 LEU CB C 52 42.874 42.874 43.051 -0.177 19302 4964 1 7 . 1 1 52 52 LEU H H 52 8.225 8.225 8.330 -0.105 19302 4965 1 7 . 1 1 53 53 SER N N 53 111.729 111.729 111.462 0.267 19302 4966 1 7 . 1 1 53 53 SER HA H 53 4.267 4.267 4.584 -0.317 19302 4967 1 7 . 1 1 53 53 SER C C 53 173.134 173.134 173.639 -0.505 19302 4968 1 7 . 1 1 53 53 SER CA C 53 56.843 56.843 57.160 -0.317 19302 4969 1 7 . 1 1 53 53 SER CB C 53 64.642 64.642 64.230 0.412 19302 4970 1 7 . 1 1 53 53 SER H H 53 8.487 8.487 7.683 0.804 19302 4971 1 7 . 1 1 54 54 ASN N N 54 116.204 116.204 121.820 -5.616 19302 4972 1 7 . 1 1 54 54 ASN HA H 54 4.388 4.388 4.917 -0.529 19302 4973 1 7 . 1 1 54 54 ASN C C 54 175.095 175.095 174.923 0.172 19302 4974 1 7 . 1 1 54 54 ASN CA C 54 55.905 55.905 54.286 1.619 19302 4975 1 7 . 1 1 54 54 ASN CB C 54 37.761 37.761 37.059 0.702 19302 4976 1 7 . 1 1 54 54 ASN H H 54 8.682 8.682 8.986 -0.304 19302 4977 1 7 . 1 1 55 55 ARG N N 55 112.605 112.605 114.178 -1.573 19302 4978 1 7 . 1 1 55 55 ARG HA H 55 4.607 4.607 4.536 0.071 19302 4979 1 7 . 1 1 55 55 ARG C C 55 175.506 175.506 174.145 1.361 19302 4980 1 7 . 1 1 55 55 ARG CA C 55 55.586 55.586 57.068 -1.482 19302 4981 1 7 . 1 1 55 55 ARG CB C 55 31.688 31.688 31.327 0.361 19302 4982 1 7 . 1 1 55 55 ARG H H 55 7.783 7.783 8.563 -0.780 19302 4983 1 7 . 1 1 56 56 CYS N N 56 122.261 122.261 120.937 1.324 19302 4984 1 7 . 1 1 56 56 CYS HA H 56 5.194 5.194 5.561 -0.367 19302 4985 1 7 . 1 1 56 56 CYS C C 56 172.619 172.619 173.249 -0.630 19302 4986 1 7 . 1 1 56 56 CYS CA C 56 58.099 58.099 57.501 0.598 19302 4987 1 7 . 1 1 56 56 CYS CB C 56 28.338 28.338 30.176 -1.838 19302 4988 1 7 . 1 1 56 56 CYS H H 56 7.379 7.379 7.677 -0.298 19302 4989 1 7 . 1 1 57 57 CYS N N 57 124.705 124.705 124.716 -0.011 19302 4990 1 7 . 1 1 57 57 CYS HA H 57 5.380 5.380 4.598 0.782 19302 4991 1 7 . 1 1 57 57 CYS C C 57 160.640 160.640 172.002 -11.362 19302 4992 1 7 . 1 1 57 57 CYS CA C 57 54.521 54.521 55.849 -1.328 19302 4993 1 7 . 1 1 57 57 CYS CB C 57 32.506 32.506 30.254 2.252 19302 4994 1 7 . 1 1 57 57 CYS H H 57 8.980 8.980 8.132 0.848 19302 4995 1 7 . 1 1 58 58 ILE N N 58 118.279 118.279 121.553 -3.274 19302 4996 1 7 . 1 1 58 58 ILE HA H 58 5.181 5.181 4.947 0.234 19302 4997 1 7 . 1 1 58 58 ILE C C 58 175.707 175.707 174.067 1.640 19302 4998 1 7 . 1 1 58 58 ILE CA C 58 58.535 58.535 60.181 -1.646 19302 4999 1 7 . 1 1 58 58 ILE CB C 58 41.538 41.538 42.045 -0.507 19302 5000 1 7 . 1 1 58 58 ILE H H 58 8.960 8.960 7.968 0.992 19302 5001 1 7 . 1 1 59 59 LEU N N 59 130.422 130.422 127.095 3.327 19302 5002 1 7 . 1 1 59 59 LEU HA H 59 4.716 4.716 4.986 -0.270 19302 5003 1 7 . 1 1 59 59 LEU C C 59 172.275 172.275 174.706 -2.431 19302 5004 1 7 . 1 1 59 59 LEU CA C 59 53.756 53.756 53.098 0.658 19302 5005 1 7 . 1 1 59 59 LEU CB C 59 42.530 42.530 46.100 -3.571 19302 5006 1 7 . 1 1 59 59 LEU H H 59 9.078 9.078 8.479 0.599 19302 5007 1 7 . 1 1 60 60 TYR N N 60 129.820 129.820 125.453 4.367 19302 5008 1 7 . 1 1 60 60 TYR HA H 60 5.110 5.110 4.408 0.702 19302 5009 1 7 . 1 1 60 60 TYR C C 60 174.911 174.911 174.359 0.552 19302 5010 1 7 . 1 1 60 60 TYR CA C 60 56.689 56.689 58.513 -1.824 19302 5011 1 7 . 1 1 60 60 TYR CB C 60 41.643 41.643 38.995 2.648 19302 5012 1 7 . 1 1 60 60 TYR H H 60 10.120 10.120 8.896 1.224 19302 5013 1 7 . 1 1 61 61 VAL N N 61 132.504 132.504 127.201 5.303 19302 5014 1 7 . 1 1 61 61 VAL HA H 61 4.232 4.232 4.138 0.094 19302 5015 1 7 . 1 1 61 61 VAL C C 61 174.433 174.433 174.177 0.256 19302 5016 1 7 . 1 1 61 61 VAL CA C 61 61.641 61.641 60.364 1.277 19302 5017 1 7 . 1 1 61 61 VAL CB C 61 33.305 33.305 36.024 -2.719 19302 5018 1 7 . 1 1 61 61 VAL H H 61 8.903 8.903 8.246 0.657 19302 5019 1 7 . 1 1 62 62 THR N N 62 116.863 116.863 116.827 0.036 19302 5020 1 7 . 1 1 62 62 THR HA H 62 4.024 4.024 4.501 -0.477 19302 5021 1 7 . 1 1 62 62 THR C C 62 175.118 175.118 175.372 -0.254 19302 5022 1 7 . 1 1 62 62 THR CA C 62 60.650 60.650 59.289 1.361 19302 5023 1 7 . 1 1 62 62 THR CB C 62 72.134 72.134 70.822 1.312 19302 5024 1 7 . 1 1 62 62 THR H H 62 8.559 8.559 8.073 0.486 19302 5025 1 7 . 1 1 63 63 GLU N N 63 120.767 120.767 127.516 -6.749 19302 5026 1 7 . 1 1 63 63 GLU HA H 63 3.776 3.776 3.794 -0.018 19302 5027 1 7 . 1 1 63 63 GLU C C 63 177.194 177.194 177.715 -0.521 19302 5028 1 7 . 1 1 63 63 GLU CA C 63 60.496 60.496 60.613 -0.117 19302 5029 1 7 . 1 1 63 63 GLU CB C 63 30.709 30.709 29.836 0.873 19302 5030 1 7 . 1 1 63 63 GLU H H 63 9.165 9.165 8.651 0.514 19302 5031 1 7 . 1 1 64 64 ALA N N 64 119.167 119.167 120.448 -1.281 19302 5032 1 7 . 1 1 64 64 ALA HA H 64 3.998 3.998 4.027 -0.029 19302 5033 1 7 . 1 1 64 64 ALA C C 64 180.477 180.477 179.839 0.638 19302 5034 1 7 . 1 1 64 64 ALA CA C 64 54.912 54.912 54.851 0.061 19302 5035 1 7 . 1 1 64 64 ALA CB C 64 17.899 17.899 18.337 -0.438 19302 5036 1 7 . 1 1 64 64 ALA H H 64 7.919 7.919 7.610 0.309 19302 5037 1 7 . 1 1 65 65 ASP N N 65 119.995 119.995 117.982 2.013 19302 5038 1 7 . 1 1 65 65 ASP HA H 65 4.026 4.026 4.535 -0.509 19302 5039 1 7 . 1 1 65 65 ASP C C 65 177.891 177.891 177.761 0.130 19302 5040 1 7 . 1 1 65 65 ASP CA C 65 57.412 57.412 56.504 0.908 19302 5041 1 7 . 1 1 65 65 ASP CB C 65 41.112 41.112 41.055 0.057 19302 5042 1 7 . 1 1 65 65 ASP H H 65 7.851 7.851 8.450 -0.599 19302 5043 1 7 . 1 1 66 66 LEU N N 66 118.585 118.585 121.773 -3.188 19302 5044 1 7 . 1 1 66 66 LEU HA H 66 3.813 3.813 4.097 -0.284 19302 5045 1 7 . 1 1 66 66 LEU C C 66 178.892 178.892 178.446 0.446 19302 5046 1 7 . 1 1 66 66 LEU CA C 66 56.943 56.943 57.931 -0.988 19302 5047 1 7 . 1 1 66 66 LEU CB C 66 41.700 41.700 41.932 -0.232 19302 5048 1 7 . 1 1 66 66 LEU H H 66 7.210 7.210 7.727 -0.517 19302 5049 1 7 . 1 1 67 67 VAL N N 67 117.714 117.714 118.362 -0.648 19302 5050 1 7 . 1 1 67 67 VAL HA H 67 3.088 3.088 3.589 -0.501 19302 5051 1 7 . 1 1 67 67 VAL C C 67 177.430 177.430 176.523 0.907 19302 5052 1 7 . 1 1 67 67 VAL CA C 67 64.392 64.392 65.344 -0.952 19302 5053 1 7 . 1 1 67 67 VAL CB C 67 31.974 31.974 32.008 -0.034 19302 5054 1 7 . 1 1 67 67 VAL H H 67 7.774 7.774 7.891 -0.117 19302 5055 1 7 . 1 1 68 68 ALA N N 68 120.210 120.210 120.743 -0.533 19302 5056 1 7 . 1 1 68 68 ALA HA H 68 3.992 3.992 4.520 -0.528 19302 5057 1 7 . 1 1 68 68 ALA C C 68 178.127 178.127 178.019 0.108 19302 5058 1 7 . 1 1 68 68 ALA CA C 68 53.540 53.540 52.487 1.053 19302 5059 1 7 . 1 1 68 68 ALA CB C 68 18.849 18.849 20.025 -1.176 19302 5060 1 7 . 1 1 68 68 ALA H H 68 7.336 7.336 7.212 0.124 19302 5061 1 7 . 1 1 69 69 GLY N N 69 106.149 106.149 109.095 -2.946 19302 5062 1 7 . 1 1 69 69 GLY C C 69 173.298 173.298 174.081 -0.783 19302 5063 1 7 . 1 1 69 69 GLY CA C 69 45.057 45.057 46.396 -1.339 19302 5064 1 7 . 1 1 69 69 GLY H H 69 7.143 7.143 8.631 -1.488 19302 5065 1 7 . 1 1 70 70 ASN N N 70 118.879 118.879 117.608 1.271 19302 5066 1 7 . 1 1 70 70 ASN HA H 70 4.855 4.855 4.706 0.149 19302 5067 1 7 . 1 1 70 70 ASN C C 70 177.766 177.766 176.772 0.994 19302 5068 1 7 . 1 1 70 70 ASN CA C 70 52.611 52.611 54.898 -2.287 19302 5069 1 7 . 1 1 70 70 ASN CB C 70 38.356 38.356 39.467 -1.111 19302 5070 1 7 . 1 1 70 70 ASN H H 70 8.316 8.316 8.133 0.183 19302 5071 1 7 . 1 1 71 71 GLY N N 71 114.725 114.725 109.092 5.633 19302 5072 1 7 . 1 1 71 71 GLY C C 71 176.515 176.515 175.838 0.677 19302 5073 1 7 . 1 1 71 71 GLY CA C 71 47.575 47.575 46.227 1.348 19302 5074 1 7 . 1 1 71 71 GLY H H 71 8.812 8.812 8.645 0.167 19302 5075 1 7 . 1 1 72 72 TYR N N 72 118.594 118.594 121.268 -2.674 19302 5076 1 7 . 1 1 72 72 TYR HA H 72 4.182 4.182 4.236 -0.054 19302 5077 1 7 . 1 1 72 72 TYR C C 72 176.205 176.205 176.755 -0.550 19302 5078 1 7 . 1 1 72 72 TYR CA C 72 59.287 59.287 60.758 -1.471 19302 5079 1 7 . 1 1 72 72 TYR CB C 72 37.305 37.305 38.278 -0.973 19302 5080 1 7 . 1 1 72 72 TYR H H 72 8.067 8.067 8.289 -0.222 19302 5081 1 7 . 1 1 73 73 ARG N N 73 119.967 119.967 119.267 0.700 19302 5082 1 7 . 1 1 73 73 ARG HA H 73 3.261 3.261 4.028 -0.767 19302 5083 1 7 . 1 1 73 73 ARG C C 73 177.612 177.612 178.067 -0.455 19302 5084 1 7 . 1 1 73 73 ARG CA C 73 59.984 59.984 59.440 0.544 19302 5085 1 7 . 1 1 73 73 ARG CB C 73 29.286 29.286 29.756 -0.470 19302 5086 1 7 . 1 1 73 73 ARG H H 73 6.715 6.715 8.467 -1.752 19302 5087 1 7 . 1 1 74 74 LYS N N 74 116.928 116.928 117.948 -1.020 19302 5088 1 7 . 1 1 74 74 LYS HA H 74 3.728 3.728 4.069 -0.341 19302 5089 1 7 . 1 1 74 74 LYS C C 74 179.161 179.161 179.000 0.161 19302 5090 1 7 . 1 1 74 74 LYS CA C 74 59.770 59.770 59.289 0.481 19302 5091 1 7 . 1 1 74 74 LYS CB C 74 32.037 32.037 31.983 0.054 19302 5092 1 7 . 1 1 74 74 LYS H H 74 7.169 7.169 7.695 -0.526 19302 5093 1 7 . 1 1 75 75 ARG N N 75 117.727 117.727 120.578 -2.851 19302 5094 1 7 . 1 1 75 75 ARG HA H 75 3.753 3.753 4.009 -0.256 19302 5095 1 7 . 1 1 75 75 ARG C C 75 177.176 177.176 178.565 -1.389 19302 5096 1 7 . 1 1 75 75 ARG CA C 75 59.596 59.596 58.495 1.101 19302 5097 1 7 . 1 1 75 75 ARG CB C 75 31.110 31.110 29.439 1.671 19302 5098 1 7 . 1 1 75 75 ARG H H 75 7.511 7.511 7.326 0.185 19302 5099 1 7 . 1 1 76 76 LEU N N 76 118.105 118.105 118.719 -0.614 19302 5100 1 7 . 1 1 76 76 LEU HA H 76 3.575 3.575 3.911 -0.336 19302 5101 1 7 . 1 1 76 76 LEU C C 76 178.325 178.325 178.348 -0.023 19302 5102 1 7 . 1 1 76 76 LEU CA C 76 59.496 59.496 57.487 2.009 19302 5103 1 7 . 1 1 76 76 LEU CB C 76 41.124 41.124 41.415 -0.291 19302 5104 1 7 . 1 1 76 76 LEU H H 76 6.770 6.770 7.725 -0.955 19302 5105 1 7 . 1 1 77 77 VAL N N 77 117.854 117.854 118.345 -0.491 19302 5106 1 7 . 1 1 77 77 VAL HA H 77 3.243 3.243 3.704 -0.461 19302 5107 1 7 . 1 1 77 77 VAL C C 77 177.335 177.335 177.651 -0.316 19302 5108 1 7 . 1 1 77 77 VAL CA C 77 66.596 66.596 65.066 1.530 19302 5109 1 7 . 1 1 77 77 VAL CB C 77 31.703 31.703 31.096 0.607 19302 5110 1 7 . 1 1 77 77 VAL H H 77 7.800 7.800 7.257 0.543 19302 5111 1 7 . 1 1 78 78 ARG N N 78 118.783 118.783 120.805 -2.022 19302 5112 1 7 . 1 1 78 78 ARG HA H 78 3.872 3.872 3.931 -0.059 19302 5113 1 7 . 1 1 78 78 ARG C C 78 179.484 179.484 178.723 0.761 19302 5114 1 7 . 1 1 78 78 ARG CA C 78 59.337 59.337 59.577 -0.240 19302 5115 1 7 . 1 1 78 78 ARG CB C 78 29.921 29.921 29.840 0.081 19302 5116 1 7 . 1 1 78 78 ARG H H 78 7.385 7.385 7.528 -0.143 19302 5117 1 7 . 1 1 79 79 VAL N N 79 118.747 118.747 117.500 1.247 19302 5118 1 7 . 1 1 79 79 VAL HA H 79 3.434 3.434 3.696 -0.262 19302 5119 1 7 . 1 1 79 79 VAL C C 79 177.902 177.902 177.433 0.469 19302 5120 1 7 . 1 1 79 79 VAL CA C 79 66.771 66.771 65.691 1.080 19302 5121 1 7 . 1 1 79 79 VAL CB C 79 31.327 31.327 31.608 -0.281 19302 5122 1 7 . 1 1 79 79 VAL H H 79 7.374 7.374 7.436 -0.062 19302 5123 1 7 . 1 1 80 80 ARG N N 80 122.868 122.868 118.379 4.489 19302 5124 1 7 . 1 1 80 80 ARG HA H 80 3.960 3.960 4.200 -0.240 19302 5125 1 7 . 1 1 80 80 ARG C C 80 177.893 177.893 178.919 -1.026 19302 5126 1 7 . 1 1 80 80 ARG CA C 80 58.256 58.256 57.502 0.754 19302 5127 1 7 . 1 1 80 80 ARG CB C 80 29.141 29.141 29.878 -0.737 19302 5128 1 7 . 1 1 80 80 ARG H H 80 8.268 8.268 8.276 -0.008 19302 5129 1 7 . 1 1 81 81 ASN N N 81 115.469 115.469 117.468 -1.999 19302 5130 1 7 . 1 1 81 81 ASN HA H 81 4.528 4.528 4.510 0.018 19302 5131 1 7 . 1 1 81 81 ASN C C 81 175.329 175.329 176.191 -0.862 19302 5132 1 7 . 1 1 81 81 ASN CA C 81 53.553 53.553 54.658 -1.105 19302 5133 1 7 . 1 1 81 81 ASN CB C 81 38.358 38.358 38.614 -0.255 19302 5134 1 7 . 1 1 81 81 ASN H H 81 7.878 7.878 8.170 -0.292 19302 5135 1 7 . 1 1 82 82 SER N N 82 117.226 117.226 117.057 0.169 19302 5136 1 7 . 1 1 82 82 SER HA H 82 4.350 4.350 4.285 0.065 19302 5137 1 7 . 1 1 82 82 SER C C 82 175.243 175.243 174.995 0.248 19302 5138 1 7 . 1 1 82 82 SER CA C 82 59.045 59.045 60.312 -1.267 19302 5139 1 7 . 1 1 82 82 SER CB C 82 63.929 63.929 63.360 0.569 19302 5140 1 7 . 1 1 82 82 SER H H 82 7.528 7.528 7.731 -0.203 19302 5141 1 7 . 1 1 83 83 ASN N N 83 121.059 121.059 118.842 2.217 19302 5142 1 7 . 1 1 83 83 ASN HA H 83 4.402 4.402 4.751 -0.349 19302 5143 1 7 . 1 1 83 83 ASN C C 83 175.260 175.260 174.913 0.347 19302 5144 1 7 . 1 1 83 83 ASN CA C 83 54.583 54.583 53.293 1.290 19302 5145 1 7 . 1 1 83 83 ASN CB C 83 38.909 38.909 39.544 -0.635 19302 5146 1 7 . 1 1 83 83 ASN H H 83 8.348 8.348 8.722 -0.374 19302 5147 1 7 . 1 1 84 84 ASN N N 84 117.070 117.070 117.770 -0.700 19302 5148 1 7 . 1 1 84 84 ASN HA H 84 4.422 4.422 4.872 -0.450 19302 5149 1 7 . 1 1 84 84 ASN C C 84 173.609 173.609 173.596 0.013 19302 5150 1 7 . 1 1 84 84 ASN CA C 84 53.753 53.753 53.310 0.443 19302 5151 1 7 . 1 1 84 84 ASN CB C 84 38.551 38.551 38.658 -0.107 19302 5152 1 7 . 1 1 84 84 ASN H H 84 8.466 8.466 8.338 0.128 19302 5153 1 7 . 1 1 85 85 LEU N N 85 119.048 119.048 122.770 -3.722 19302 5154 1 7 . 1 1 85 85 LEU HA H 85 4.518 4.518 4.625 -0.107 19302 5155 1 7 . 1 1 85 85 LEU C C 85 175.397 175.397 176.381 -0.984 19302 5156 1 7 . 1 1 85 85 LEU CA C 85 54.094 54.094 54.629 -0.535 19302 5157 1 7 . 1 1 85 85 LEU CB C 85 44.902 44.902 43.199 1.703 19302 5158 1 7 . 1 1 85 85 LEU H H 85 7.453 7.453 8.327 -0.874 19302 5159 1 7 . 1 1 86 86 LYS N N 86 125.959 125.959 125.046 0.913 19302 5160 1 7 . 1 1 86 86 LYS HA H 86 4.397 4.397 4.477 -0.080 19302 5161 1 7 . 1 1 86 86 LYS C C 86 175.209 175.209 175.954 -0.745 19302 5162 1 7 . 1 1 86 86 LYS CA C 86 54.934 54.934 56.050 -1.116 19302 5163 1 7 . 1 1 86 86 LYS CB C 86 33.581 33.581 32.770 0.811 19302 5164 1 7 . 1 1 86 86 LYS H H 86 8.242 8.242 8.625 -0.383 19302 5165 1 7 . 1 1 87 87 GLY N N 87 113.359 113.359 113.453 -0.094 19302 5166 1 7 . 1 1 87 87 GLY C C 87 171.780 171.780 173.124 -1.344 19302 5167 1 7 . 1 1 87 87 GLY CA C 87 44.894 44.894 43.789 1.105 19302 5168 1 7 . 1 1 87 87 GLY H H 87 8.840 8.840 7.954 0.886 19302 5169 1 7 . 1 1 88 88 ILE N N 88 125.743 125.743 125.211 0.532 19302 5170 1 7 . 1 1 88 88 ILE HA H 88 4.077 4.077 4.344 -0.267 19302 5171 1 7 . 1 1 88 88 ILE C C 88 174.254 174.254 175.106 -0.852 19302 5172 1 7 . 1 1 88 88 ILE CA C 88 60.766 60.766 61.781 -1.015 19302 5173 1 7 . 1 1 88 88 ILE CB C 88 40.483 40.483 39.736 0.747 19302 5174 1 7 . 1 1 88 88 ILE H H 88 8.411 8.411 8.476 -0.065 19302 5175 1 7 . 1 1 89 89 VAL N N 89 129.556 129.556 127.873 1.683 19302 5176 1 7 . 1 1 89 89 VAL HA H 89 4.762 4.762 4.462 0.300 19302 5177 1 7 . 1 1 89 89 VAL C C 89 174.205 174.205 175.211 -1.006 19302 5178 1 7 . 1 1 89 89 VAL CA C 89 61.224 61.224 61.134 0.090 19302 5179 1 7 . 1 1 89 89 VAL CB C 89 31.924 31.924 31.256 0.668 19302 5180 1 7 . 1 1 89 89 VAL H H 89 8.859 8.859 9.091 -0.232 19302 5181 1 7 . 1 1 90 90 VAL N N 90 130.678 130.678 129.939 0.739 19302 5182 1 7 . 1 1 90 90 VAL HA H 90 4.804 4.804 4.376 0.428 19302 5183 1 7 . 1 1 90 90 VAL C C 90 173.650 173.650 174.808 -1.158 19302 5184 1 7 . 1 1 90 90 VAL CA C 90 60.478 60.478 61.875 -1.397 19302 5185 1 7 . 1 1 90 90 VAL CB C 90 33.666 33.666 33.165 0.501 19302 5186 1 7 . 1 1 90 90 VAL H H 90 8.747 8.747 8.784 -0.037 19302 5187 1 7 . 1 1 91 91 VAL N N 91 122.793 122.793 125.443 -2.650 19302 5188 1 7 . 1 1 91 91 VAL HA H 91 5.019 5.019 4.492 0.527 19302 5189 1 7 . 1 1 91 91 VAL C C 91 173.241 173.241 174.337 -1.096 19302 5190 1 7 . 1 1 91 91 VAL CA C 91 56.898 56.898 58.941 -2.043 19302 5191 1 7 . 1 1 91 91 VAL CB C 91 35.349 35.349 35.064 0.285 19302 5192 1 7 . 1 1 91 91 VAL H H 91 7.758 7.758 7.878 -0.120 19302 5193 1 7 . 1 1 92 92 GLU N N 92 125.925 125.925 124.070 1.855 19302 5194 1 7 . 1 1 92 92 GLU HA H 92 4.208 4.208 4.565 -0.357 19302 5195 1 7 . 1 1 92 92 GLU C C 92 173.665 173.665 175.054 -1.389 19302 5196 1 7 . 1 1 92 92 GLU CA C 92 55.740 55.740 54.275 1.465 19302 5197 1 7 . 1 1 92 92 GLU CB C 92 29.433 29.433 31.654 -2.220 19302 5198 1 7 . 1 1 92 92 GLU H H 92 7.501 7.501 8.284 -0.783 19302 5199 1 7 . 1 1 93 93 LYS N N 93 132.415 132.415 125.786 6.629 19302 5200 1 7 . 1 1 93 93 LYS HA H 93 4.033 4.033 4.089 -0.056 19302 5201 1 7 . 1 1 93 93 LYS C C 93 173.582 173.582 176.357 -2.775 19302 5202 1 7 . 1 1 93 93 LYS CA C 93 55.460 55.460 56.763 -1.303 19302 5203 1 7 . 1 1 93 93 LYS CB C 93 33.506 33.506 32.503 1.003 19302 5204 1 7 . 1 1 93 93 LYS H H 93 9.015 9.015 8.749 0.266 19302 5205 1 7 . 1 1 94 94 THR N N 94 118.315 118.315 117.000 1.315 19302 5206 1 7 . 1 1 94 94 THR HA H 94 4.600 4.600 4.507 0.093 19302 5207 1 7 . 1 1 94 94 THR C C 94 174.933 174.933 174.386 0.547 19302 5208 1 7 . 1 1 94 94 THR CA C 94 58.678 58.678 62.981 -4.303 19302 5209 1 7 . 1 1 94 94 THR CB C 94 72.561 72.561 70.576 1.985 19302 5210 1 7 . 1 1 94 94 THR H H 94 8.288 8.288 8.708 -0.420 19302 5211 1 7 . 1 1 95 95 ARG N N 95 119.684 119.684 119.665 0.019 19302 5212 1 7 . 1 1 95 95 ARG HA H 95 3.960 3.960 4.656 -0.696 19302 5213 1 7 . 1 1 95 95 ARG C C 95 178.617 178.617 177.506 1.111 19302 5214 1 7 . 1 1 95 95 ARG CA C 95 59.240 59.240 56.802 2.438 19302 5215 1 7 . 1 1 95 95 ARG CB C 95 29.480 29.480 31.131 -1.651 19302 5216 1 7 . 1 1 95 95 ARG H H 95 8.719 8.719 8.039 0.680 19302 5217 1 7 . 1 1 96 96 MET N N 96 115.656 115.656 120.411 -4.755 19302 5218 1 7 . 1 1 96 96 MET HA H 96 4.332 4.332 4.421 -0.089 19302 5219 1 7 . 1 1 96 96 MET C C 96 177.312 177.312 177.221 0.091 19302 5220 1 7 . 1 1 96 96 MET CA C 96 56.615 56.615 56.364 0.251 19302 5221 1 7 . 1 1 96 96 MET CB C 96 32.723 32.723 32.037 0.686 19302 5222 1 7 . 1 1 96 96 MET H H 96 7.895 7.895 9.397 -1.502 19302 5223 1 7 . 1 1 97 97 SER N N 97 114.024 114.024 118.126 -4.102 19302 5224 1 7 . 1 1 97 97 SER HA H 97 4.648 4.648 4.127 0.521 19302 5225 1 7 . 1 1 97 97 SER C C 97 176.743 176.743 175.983 0.760 19302 5226 1 7 . 1 1 97 97 SER CA C 97 58.484 58.484 61.593 -3.110 19302 5227 1 7 . 1 1 97 97 SER CB C 97 65.103 65.103 61.749 3.354 19302 5228 1 7 . 1 1 97 97 SER H H 97 8.108 8.108 8.270 -0.162 19302 5229 1 7 . 1 1 98 98 GLU N N 98 124.701 124.701 121.385 3.316 19302 5230 1 7 . 1 1 98 98 GLU HA H 98 3.689 3.689 4.200 -0.511 19302 5231 1 7 . 1 1 98 98 GLU C C 98 178.994 178.994 178.414 0.580 19302 5232 1 7 . 1 1 98 98 GLU CA C 98 60.482 60.482 59.246 1.236 19302 5233 1 7 . 1 1 98 98 GLU CB C 98 29.096 29.096 29.122 -0.026 19302 5234 1 7 . 1 1 98 98 GLU H H 98 8.229 8.229 8.732 -0.503 19302 5235 1 7 . 1 1 99 99 GLN N N 99 117.637 117.637 116.995 0.642 19302 5236 1 7 . 1 1 99 99 GLN HA H 99 4.008 4.008 4.226 -0.218 19302 5237 1 7 . 1 1 99 99 GLN C C 99 176.402 176.402 177.966 -1.564 19302 5238 1 7 . 1 1 99 99 GLN CA C 99 58.127 58.127 58.570 -0.443 19302 5239 1 7 . 1 1 99 99 GLN CB C 99 28.135 28.135 29.886 -1.750 19302 5240 1 7 . 1 1 99 99 GLN H H 99 8.464 8.464 7.897 0.567 19302 5241 1 7 . 1 1 100 100 TYR N N 100 118.538 118.538 117.761 0.777 19302 5242 1 7 . 1 1 100 100 TYR HA H 100 4.512 4.512 4.660 -0.148 19302 5243 1 7 . 1 1 100 100 TYR C C 100 176.132 176.132 176.207 -0.075 19302 5244 1 7 . 1 1 100 100 TYR CA C 100 58.029 58.029 57.437 0.592 19302 5245 1 7 . 1 1 100 100 TYR CB C 100 39.600 39.600 39.972 -0.372 19302 5246 1 7 . 1 1 100 100 TYR H H 100 7.688 7.688 8.619 -0.931 19302 5247 1 7 . 1 1 101 101 PHE N N 101 121.713 121.713 122.570 -0.857 19302 5248 1 7 . 1 1 101 101 PHE HA H 101 4.098 4.098 4.520 -0.422 19302 5249 1 7 . 1 1 101 101 PHE C C 101 173.115 173.115 173.875 -0.760 19302 5250 1 7 . 1 1 101 101 PHE CA C 101 63.389 63.389 61.565 1.825 19302 5251 1 7 . 1 1 101 101 PHE CB C 101 37.438 37.438 36.892 0.545 19302 5252 1 7 . 1 1 101 101 PHE H H 101 7.916 7.916 9.150 -1.234 19302 5253 1 7 . 1 1 102 102 PRO HA H 102 4.078 4.078 3.915 0.163 19302 5254 1 7 . 1 1 102 102 PRO C C 102 179.371 179.371 178.039 1.332 19302 5255 1 7 . 1 1 102 102 PRO CA C 102 67.173 67.173 65.859 1.314 19302 5256 1 7 . 1 1 102 102 PRO CB C 102 30.497 30.497 30.669 -0.173 19302 5257 1 7 . 1 1 103 103 ALA N N 103 119.259 119.259 119.482 -0.223 19302 5258 1 7 . 1 1 103 103 ALA HA H 103 4.043 4.043 3.918 0.125 19302 5259 1 7 . 1 1 103 103 ALA C C 103 180.693 180.693 179.680 1.013 19302 5260 1 7 . 1 1 103 103 ALA CA C 103 54.322 54.322 54.570 -0.248 19302 5261 1 7 . 1 1 103 103 ALA CB C 103 18.420 18.420 17.657 0.763 19302 5262 1 7 . 1 1 103 103 ALA H H 103 8.030 8.030 7.977 0.053 19302 5263 1 7 . 1 1 104 104 LEU N N 104 121.207 121.207 119.994 1.213 19302 5264 1 7 . 1 1 104 104 LEU HA H 104 4.164 4.164 3.933 0.231 19302 5265 1 7 . 1 1 104 104 LEU C C 104 179.295 179.295 178.176 1.119 19302 5266 1 7 . 1 1 104 104 LEU CA C 104 58.235 58.235 57.869 0.366 19302 5267 1 7 . 1 1 104 104 LEU CB C 104 41.154 41.154 41.736 -0.582 19302 5268 1 7 . 1 1 104 104 LEU H H 104 7.161 7.161 7.255 -0.094 19302 5269 1 7 . 1 1 105 105 GLN N N 105 123.941 123.941 119.185 4.756 19302 5270 1 7 . 1 1 105 105 GLN HA H 105 3.451 3.451 3.746 -0.295 19302 5271 1 7 . 1 1 105 105 GLN C C 105 176.984 176.984 178.654 -1.670 19302 5272 1 7 . 1 1 105 105 GLN CA C 105 59.986 59.986 59.085 0.901 19302 5273 1 7 . 1 1 105 105 GLN CB C 105 27.878 27.878 28.044 -0.166 19302 5274 1 7 . 1 1 105 105 GLN H H 105 8.836 8.836 7.972 0.864 19302 5275 1 7 . 1 1 106 106 LYS N N 106 119.943 119.943 118.437 1.506 19302 5276 1 7 . 1 1 106 106 LYS HA H 106 3.752 3.752 3.992 -0.240 19302 5277 1 7 . 1 1 106 106 LYS C C 106 177.834 177.834 179.060 -1.226 19302 5278 1 7 . 1 1 106 106 LYS CA C 106 60.337 60.337 59.541 0.796 19302 5279 1 7 . 1 1 106 106 LYS CB C 106 32.380 32.380 32.242 0.139 19302 5280 1 7 . 1 1 106 106 LYS H H 106 7.692 7.692 8.081 -0.389 19302 5281 1 7 . 1 1 107 107 PHE N N 107 117.769 117.769 119.463 -1.694 19302 5282 1 7 . 1 1 107 107 PHE HA H 107 4.378 4.378 4.355 0.023 19302 5283 1 7 . 1 1 107 107 PHE C C 107 176.089 176.089 177.685 -1.596 19302 5284 1 7 . 1 1 107 107 PHE CA C 107 60.327 60.327 61.508 -1.181 19302 5285 1 7 . 1 1 107 107 PHE CB C 107 40.477 40.477 38.758 1.719 19302 5286 1 7 . 1 1 107 107 PHE H H 107 7.514 7.514 8.165 -0.651 19302 5287 1 7 . 1 1 108 108 THR N N 108 112.966 112.966 115.741 -2.775 19302 5288 1 7 . 1 1 108 108 THR HA H 108 3.196 3.196 4.044 -0.848 19302 5289 1 7 . 1 1 108 108 THR C C 108 174.656 174.656 176.753 -2.097 19302 5290 1 7 . 1 1 108 108 THR CA C 108 67.885 67.885 66.134 1.751 19302 5291 1 7 . 1 1 108 108 THR CB C 108 69.292 69.292 68.215 1.077 19302 5292 1 7 . 1 1 108 108 THR H H 108 8.541 8.541 8.780 -0.239 19302 5293 1 7 . 1 1 109 109 VAL N N 109 118.515 118.515 123.244 -4.729 19302 5294 1 7 . 1 1 109 109 VAL HA H 109 3.953 3.953 3.964 -0.011 19302 5295 1 7 . 1 1 109 109 VAL C C 109 178.009 178.009 178.335 -0.326 19302 5296 1 7 . 1 1 109 109 VAL CA C 109 65.110 65.110 65.485 -0.375 19302 5297 1 7 . 1 1 109 109 VAL CB C 109 32.327 32.327 31.698 0.629 19302 5298 1 7 . 1 1 109 109 VAL H H 109 8.065 8.065 8.039 0.026 19302 5299 1 7 . 1 1 110 110 LEU N N 110 118.627 118.627 120.367 -1.740 19302 5300 1 7 . 1 1 110 110 LEU HA H 110 4.157 4.157 3.917 0.240 19302 5301 1 7 . 1 1 110 110 LEU C C 110 178.351 178.351 177.824 0.527 19302 5302 1 7 . 1 1 110 110 LEU CA C 110 57.133 57.133 57.796 -0.663 19302 5303 1 7 . 1 1 110 110 LEU CB C 110 40.985 40.985 42.053 -1.068 19302 5304 1 7 . 1 1 110 110 LEU H H 110 7.224 7.224 7.944 -0.720 19302 5305 1 7 . 1 1 111 111 ASP N N 111 119.092 119.092 118.705 0.387 19302 5306 1 7 . 1 1 111 111 ASP HA H 111 4.325 4.325 4.503 -0.178 19302 5307 1 7 . 1 1 111 111 ASP C C 111 178.644 178.644 177.483 1.161 19302 5308 1 7 . 1 1 111 111 ASP CA C 111 57.243 57.243 56.713 0.530 19302 5309 1 7 . 1 1 111 111 ASP CB C 111 39.330 39.330 41.854 -2.524 19302 5310 1 7 . 1 1 111 111 ASP H H 111 7.719 7.719 8.204 -0.485 19302 5311 1 7 . 1 1 112 112 LEU N N 112 114.990 114.990 117.180 -2.190 19302 5312 1 7 . 1 1 112 112 LEU HA H 112 4.044 4.044 4.538 -0.494 19302 5313 1 7 . 1 1 112 112 LEU C C 112 177.936 177.936 177.617 0.319 19302 5314 1 7 . 1 1 112 112 LEU CA C 112 55.507 55.507 54.528 0.979 19302 5315 1 7 . 1 1 112 112 LEU CB C 112 42.142 42.142 43.768 -1.626 19302 5316 1 7 . 1 1 112 112 LEU H H 112 7.306 7.306 7.818 -0.512 19302 5317 1 7 . 1 1 113 113 GLY N N 113 108.097 108.097 107.825 0.272 19302 5318 1 7 . 1 1 113 113 GLY C C 113 175.161 175.161 175.148 0.013 19302 5319 1 7 . 1 1 113 113 GLY CA C 113 47.080 47.080 46.421 0.659 19302 5320 1 7 . 1 1 113 113 GLY H H 113 6.651 6.651 8.109 -1.458 19302 5321 1 7 . 1 1 114 114 MET N N 114 119.916 119.916 116.843 3.073 19302 5322 1 7 . 1 1 114 114 MET HA H 114 4.441 4.441 4.414 0.027 19302 5323 1 7 . 1 1 114 114 MET C C 114 174.467 174.467 175.651 -1.184 19302 5324 1 7 . 1 1 114 114 MET CA C 114 55.303 55.303 55.164 0.139 19302 5325 1 7 . 1 1 114 114 MET CB C 114 35.820 35.820 32.695 3.125 19302 5326 1 7 . 1 1 114 114 MET H H 114 8.107 8.107 7.389 0.718 19302 5327 1 7 . 1 1 115 115 VAL N N 115 120.592 120.592 120.230 0.362 19302 5328 1 7 . 1 1 115 115 VAL HA H 115 3.723 3.723 4.293 -0.570 19302 5329 1 7 . 1 1 115 115 VAL C C 115 173.084 173.084 174.569 -1.485 19302 5330 1 7 . 1 1 115 115 VAL CA C 115 62.921 62.921 61.764 1.157 19302 5331 1 7 . 1 1 115 115 VAL CB C 115 33.192 33.192 32.847 0.345 19302 5332 1 7 . 1 1 115 115 VAL H H 115 7.414 7.414 8.162 -0.748 19302 5333 1 7 . 1 1 116 116 LEU N N 116 128.303 128.303 124.393 3.910 19302 5334 1 7 . 1 1 116 116 LEU HA H 116 5.176 5.176 5.478 -0.302 19302 5335 1 7 . 1 1 116 116 LEU C C 116 175.304 175.304 175.777 -0.473 19302 5336 1 7 . 1 1 116 116 LEU CA C 116 53.335 53.335 53.143 0.192 19302 5337 1 7 . 1 1 116 116 LEU CB C 116 45.512 45.512 44.369 1.143 19302 5338 1 7 . 1 1 116 116 LEU H H 116 7.872 7.872 8.418 -0.546 19302 5339 1 7 . 1 1 117 117 LEU N N 117 129.470 129.470 125.232 4.238 19302 5340 1 7 . 1 1 117 117 LEU HA H 117 4.922 4.922 4.944 -0.022 19302 5341 1 7 . 1 1 117 117 LEU C C 117 173.512 173.512 174.591 -1.079 19302 5342 1 7 . 1 1 117 117 LEU CA C 117 51.061 51.061 51.859 -0.798 19302 5343 1 7 . 1 1 117 117 LEU CB C 117 43.824 43.824 45.052 -1.228 19302 5344 1 7 . 1 1 117 117 LEU H H 117 9.331 9.331 8.653 0.678 19302 5345 1 7 . 1 1 118 118 PRO HA H 118 5.167 5.167 5.068 0.099 19302 5346 1 7 . 1 1 118 118 PRO C C 118 176.784 176.784 175.611 1.173 19302 5347 1 7 . 1 1 118 118 PRO CA C 118 61.019 61.019 62.163 -1.144 19302 5348 1 7 . 1 1 118 118 PRO CB C 118 32.806 32.806 32.679 0.127 19302 5349 1 7 . 1 1 119 119 VAL N N 119 114.345 114.345 118.025 -3.680 19302 5350 1 7 . 1 1 119 119 VAL HA H 119 4.507 4.507 4.319 0.188 19302 5351 1 7 . 1 1 119 119 VAL C C 119 174.881 174.881 175.484 -0.603 19302 5352 1 7 . 1 1 119 119 VAL CA C 119 59.150 59.150 60.043 -0.893 19302 5353 1 7 . 1 1 119 119 VAL CB C 119 36.847 36.847 32.771 4.076 19302 5354 1 7 . 1 1 119 119 VAL H H 119 8.775 8.775 8.771 0.004 19302 5355 1 7 . 1 1 120 120 ALA N N 120 121.458 121.458 121.791 -0.333 19302 5356 1 7 . 1 1 120 120 ALA HA H 120 4.335 4.335 4.352 -0.017 19302 5357 1 7 . 1 1 120 120 ALA C C 120 177.637 177.637 176.291 1.346 19302 5358 1 7 . 1 1 120 120 ALA CA C 120 52.662 52.662 52.648 0.014 19302 5359 1 7 . 1 1 120 120 ALA CB C 120 19.817 19.817 19.183 0.634 19302 5360 1 7 . 1 1 120 120 ALA H H 120 8.740 8.740 8.703 0.037 19302 5361 1 7 . 1 1 121 121 SER N N 121 106.201 106.201 112.985 -6.784 19302 5362 1 7 . 1 1 121 121 SER HA H 121 4.523 4.523 4.874 -0.351 19302 5363 1 7 . 1 1 121 121 SER C C 121 173.940 173.940 174.689 -0.749 19302 5364 1 7 . 1 1 121 121 SER CA C 121 56.668 56.668 56.239 0.429 19302 5365 1 7 . 1 1 121 121 SER CB C 121 66.057 66.057 64.903 1.154 19302 5366 1 7 . 1 1 121 121 SER H H 121 7.147 7.147 7.805 -0.658 19302 5367 1 7 . 1 1 122 122 GLN N N 122 120.942 120.942 121.034 -0.092 19302 5368 1 7 . 1 1 122 122 GLN HA H 122 4.063 4.063 4.238 -0.175 19302 5369 1 7 . 1 1 122 122 GLN C C 122 178.350 178.350 178.315 0.035 19302 5370 1 7 . 1 1 122 122 GLN CA C 122 59.436 59.436 58.766 0.670 19302 5371 1 7 . 1 1 122 122 GLN CB C 122 29.018 29.018 28.624 0.394 19302 5372 1 7 . 1 1 122 122 GLN H H 122 9.055 9.055 8.876 0.179 19302 5373 1 7 . 1 1 123 123 MET N N 123 118.978 118.978 117.927 1.051 19302 5374 1 7 . 1 1 123 123 MET HA H 123 3.947 3.947 4.093 -0.146 19302 5375 1 7 . 1 1 123 123 MET C C 123 179.161 179.161 177.933 1.228 19302 5376 1 7 . 1 1 123 123 MET CA C 123 58.802 58.802 58.777 0.025 19302 5377 1 7 . 1 1 123 123 MET CB C 123 31.305 31.305 32.110 -0.805 19302 5378 1 7 . 1 1 123 123 MET H H 123 7.950 7.950 7.861 0.089 19302 5379 1 7 . 1 1 124 124 GLU N N 124 121.747 121.747 119.731 2.016 19302 5380 1 7 . 1 1 124 124 GLU HA H 124 3.897 3.897 3.996 -0.099 19302 5381 1 7 . 1 1 124 124 GLU C C 124 179.272 179.272 178.773 0.499 19302 5382 1 7 . 1 1 124 124 GLU CA C 124 59.686 59.686 59.461 0.226 19302 5383 1 7 . 1 1 124 124 GLU CB C 124 29.943 29.943 29.290 0.654 19302 5384 1 7 . 1 1 124 124 GLU H H 124 7.729 7.729 8.120 -0.391 19302 5385 1 7 . 1 1 125 125 ALA N N 125 121.208 121.208 122.435 -1.227 19302 5386 1 7 . 1 1 125 125 ALA HA H 125 3.827 3.827 4.071 -0.244 19302 5387 1 7 . 1 1 125 125 ALA C C 125 178.068 178.068 180.052 -1.984 19302 5388 1 7 . 1 1 125 125 ALA CA C 125 54.330 54.330 55.531 -1.201 19302 5389 1 7 . 1 1 125 125 ALA CB C 125 19.232 19.232 18.335 0.897 19302 5390 1 7 . 1 1 125 125 ALA H H 125 8.083 8.083 7.655 0.428 19302 5391 1 7 . 1 1 126 126 SER N N 126 114.095 114.095 114.721 -0.626 19302 5392 1 7 . 1 1 126 126 SER HA H 126 3.527 3.527 4.093 -0.566 19302 5393 1 7 . 1 1 126 126 SER C C 126 175.129 175.129 176.828 -1.699 19302 5394 1 7 . 1 1 126 126 SER CA C 126 62.161 62.161 61.949 0.212 19302 5395 1 7 . 1 1 126 126 SER CB C 126 69.705 69.705 62.438 7.267 19302 5396 1 7 . 1 1 126 126 SER H H 126 7.975 7.975 8.893 -0.918 19302 5397 1 7 . 1 1 127 127 CYS N N 127 119.210 119.210 120.532 -1.322 19302 5398 1 7 . 1 1 127 127 CYS HA H 127 3.819 3.819 4.347 -0.528 19302 5399 1 7 . 1 1 127 127 CYS C C 127 177.016 177.016 176.535 0.481 19302 5400 1 7 . 1 1 127 127 CYS CA C 127 62.351 62.351 60.111 2.240 19302 5401 1 7 . 1 1 127 127 CYS CB C 127 26.714 26.714 26.407 0.307 19302 5402 1 7 . 1 1 127 127 CYS H H 127 6.869 6.869 8.054 -1.185 19302 5403 1 7 . 1 1 128 128 LEU N N 128 122.342 122.342 122.307 0.035 19302 5404 1 7 . 1 1 128 128 LEU HA H 128 3.947 3.947 4.005 -0.058 19302 5405 1 7 . 1 1 128 128 LEU C C 128 178.010 178.010 178.733 -0.723 19302 5406 1 7 . 1 1 128 128 LEU CA C 128 57.860 57.860 57.747 0.113 19302 5407 1 7 . 1 1 128 128 LEU CB C 128 41.951 41.951 42.180 -0.229 19302 5408 1 7 . 1 1 128 128 LEU H H 128 7.527 7.527 8.567 -1.040 19302 5409 1 7 . 1 1 129 129 VAL N N 129 119.021 119.021 119.158 -0.137 19302 5410 1 7 . 1 1 129 129 VAL HA H 129 3.035 3.035 3.571 -0.536 19302 5411 1 7 . 1 1 129 129 VAL C C 129 177.035 177.035 178.025 -0.990 19302 5412 1 7 . 1 1 129 129 VAL CA C 129 67.656 67.656 67.208 0.448 19302 5413 1 7 . 1 1 129 129 VAL CB C 129 30.898 30.898 31.433 -0.535 19302 5414 1 7 . 1 1 129 129 VAL H H 129 8.360 8.360 8.797 -0.437 19302 5415 1 7 . 1 1 130 130 ILE N N 130 117.913 117.913 118.845 -0.932 19302 5416 1 7 . 1 1 130 130 ILE HA H 130 3.292 3.292 3.552 -0.260 19302 5417 1 7 . 1 1 130 130 ILE C C 130 177.834 177.834 177.770 0.064 19302 5418 1 7 . 1 1 130 130 ILE CA C 130 64.592 64.592 65.432 -0.840 19302 5419 1 7 . 1 1 130 130 ILE CB C 130 36.970 36.970 37.549 -0.579 19302 5420 1 7 . 1 1 130 130 ILE H H 130 7.331 7.331 7.213 0.118 19302 5421 1 7 . 1 1 131 131 GLN N N 131 120.359 120.359 118.603 1.756 19302 5422 1 7 . 1 1 131 131 GLN HA H 131 3.846 3.846 3.963 -0.117 19302 5423 1 7 . 1 1 131 131 GLN C C 131 178.708 178.708 178.381 0.327 19302 5424 1 7 . 1 1 131 131 GLN CA C 131 59.310 59.310 59.088 0.222 19302 5425 1 7 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.327 -0.225 19302 5426 1 7 . 1 1 131 131 GLN H H 131 7.505 7.505 7.739 -0.234 19302 5427 1 7 . 1 1 132 132 LEU N N 132 120.310 120.310 119.921 0.389 19302 5428 1 7 . 1 1 132 132 LEU HA H 132 3.848 3.848 3.997 -0.149 19302 5429 1 7 . 1 1 132 132 LEU C C 132 179.854 179.854 178.608 1.246 19302 5430 1 7 . 1 1 132 132 LEU CA C 132 57.975 57.975 57.997 -0.022 19302 5431 1 7 . 1 1 132 132 LEU CB C 132 41.902 41.902 41.999 -0.097 19302 5432 1 7 . 1 1 132 132 LEU H H 132 8.270 8.270 7.513 0.757 19302 5433 1 7 . 1 1 133 133 VAL N N 133 120.909 120.909 117.679 3.230 19302 5434 1 7 . 1 1 133 133 VAL HA H 133 4.004 4.004 3.573 0.431 19302 5435 1 7 . 1 1 133 133 VAL C C 133 178.791 178.791 178.374 0.417 19302 5436 1 7 . 1 1 133 133 VAL CA C 133 58.026 58.026 66.345 -8.319 19302 5437 1 7 . 1 1 133 133 VAL CB C 133 32.475 32.475 31.139 1.336 19302 5438 1 7 . 1 1 133 133 VAL H H 133 8.162 8.162 7.378 0.784 19302 5439 1 7 . 1 1 134 134 GLN N N 134 120.073 120.073 119.911 0.162 19302 5440 1 7 . 1 1 134 134 GLN HA H 134 3.943 3.943 3.994 -0.051 19302 5441 1 7 . 1 1 134 134 GLN C C 134 178.374 178.374 177.872 0.502 19302 5442 1 7 . 1 1 134 134 GLN CA C 134 57.164 57.164 58.855 -1.691 19302 5443 1 7 . 1 1 134 134 GLN CB C 134 29.632 29.632 28.604 1.028 19302 5444 1 7 . 1 1 134 134 GLN H H 134 7.837 7.837 8.730 -0.893 19302 5445 1 7 . 1 1 135 135 GLU N N 135 118.639 118.639 118.874 -0.235 19302 5446 1 7 . 1 1 135 135 GLU HA H 135 3.902 3.902 3.972 -0.070 19302 5447 1 7 . 1 1 135 135 GLU C C 135 177.986 177.986 178.096 -0.110 19302 5448 1 7 . 1 1 135 135 GLU CA C 135 58.266 58.266 59.040 -0.774 19302 5449 1 7 . 1 1 135 135 GLU CB C 135 29.593 29.593 29.769 -0.176 19302 5450 1 7 . 1 1 135 135 GLU H H 135 7.989 7.989 7.868 0.121 19302 5451 1 7 . 1 1 136 136 GLN N N 136 118.352 118.352 116.419 1.933 19302 5452 1 7 . 1 1 136 136 GLN HA H 136 3.994 3.994 4.068 -0.074 19302 5453 1 7 . 1 1 136 136 GLN C C 136 176.807 176.807 176.934 -0.127 19302 5454 1 7 . 1 1 136 136 GLN CA C 136 56.762 56.762 57.842 -1.080 19302 5455 1 7 . 1 1 136 136 GLN CB C 136 28.835 28.835 28.855 -0.020 19302 5456 1 7 . 1 1 136 136 GLN H H 136 7.845 7.845 7.637 0.208 19302 5457 1 7 . 1 1 137 137 THR N N 137 113.953 113.953 111.180 2.773 19302 5458 1 7 . 1 1 137 137 THR HA H 137 4.163 4.163 3.846 0.317 19302 5459 1 7 . 1 1 137 137 THR C C 137 174.267 174.267 173.540 0.727 19302 5460 1 7 . 1 1 137 137 THR CA C 137 64.611 64.611 63.767 0.844 19302 5461 1 7 . 1 1 137 137 THR CB C 137 69.280 69.280 67.448 1.832 19302 5462 1 7 . 1 1 137 137 THR H H 137 7.847 7.847 7.640 0.207 19302 5463 1 7 . 1 1 138 138 LYS N N 138 122.289 122.289 121.271 1.018 19302 5464 1 7 . 1 1 138 138 LYS C C 138 176.119 176.119 175.238 0.881 19302 5465 1 7 . 1 1 138 138 LYS CA C 138 56.329 56.329 56.825 -0.497 19302 5466 1 7 . 1 1 138 138 LYS CB C 138 32.891 32.891 33.194 -0.303 19302 5467 1 7 . 1 1 138 138 LYS H H 138 7.607 7.607 8.056 -0.449 19302 5468 1 8 . 1 1 2 2 GLU N N 2 123.078 123.078 124.413 -1.335 19302 5469 1 8 . 1 1 2 2 GLU HA H 2 4.160 4.160 4.337 -0.177 19302 5470 1 8 . 1 1 2 2 GLU C C 2 175.765 175.765 175.706 0.059 19302 5471 1 8 . 1 1 2 2 GLU CA C 2 56.353 56.353 56.698 -0.345 19302 5472 1 8 . 1 1 2 2 GLU CB C 2 30.041 30.041 28.944 1.097 19302 5473 1 8 . 1 1 2 2 GLU H H 2 8.313 8.313 8.582 -0.269 19302 5474 1 8 . 1 1 3 3 LYS N N 3 124.091 124.091 122.567 1.524 19302 5475 1 8 . 1 1 3 3 LYS HA H 3 4.013 4.013 4.463 -0.450 19302 5476 1 8 . 1 1 3 3 LYS C C 3 174.713 174.713 175.309 -0.596 19302 5477 1 8 . 1 1 3 3 LYS CA C 3 56.240 56.240 56.143 0.097 19302 5478 1 8 . 1 1 3 3 LYS CB C 3 33.400 33.400 32.504 0.896 19302 5479 1 8 . 1 1 3 3 LYS H H 3 8.243 8.243 8.032 0.211 19302 5480 1 8 . 1 1 4 4 ASN N N 4 121.184 121.184 117.138 4.046 19302 5481 1 8 . 1 1 4 4 ASN C C 4 172.940 172.940 173.447 -0.507 19302 5482 1 8 . 1 1 4 4 ASN CA C 4 50.404 50.404 53.143 -2.739 19302 5483 1 8 . 1 1 4 4 ASN CB C 4 41.212 41.212 37.357 3.855 19302 5484 1 8 . 1 1 4 4 ASN H H 4 8.086 8.086 8.371 -0.285 19302 5485 1 8 . 1 1 6 6 PRO HA H 6 4.222 4.222 4.281 -0.059 19302 5486 1 8 . 1 1 6 6 PRO C C 6 176.390 176.390 176.631 -0.241 19302 5487 1 8 . 1 1 6 6 PRO CA C 6 63.267 63.267 63.179 0.088 19302 5488 1 8 . 1 1 6 6 PRO CB C 6 32.008 32.008 32.189 -0.181 19302 5489 1 8 . 1 1 7 7 ASP N N 7 120.412 120.412 122.380 -1.968 19302 5490 1 8 . 1 1 7 7 ASP HA H 7 4.402 4.402 4.457 -0.055 19302 5491 1 8 . 1 1 7 7 ASP C C 7 175.911 175.911 175.131 0.780 19302 5492 1 8 . 1 1 7 7 ASP CA C 7 54.248 54.248 54.533 -0.285 19302 5493 1 8 . 1 1 7 7 ASP CB C 7 41.210 41.210 39.347 1.863 19302 5494 1 8 . 1 1 7 7 ASP H H 7 8.175 8.175 8.544 -0.369 19302 5495 1 8 . 1 1 8 8 ASP N N 8 121.448 121.448 118.129 3.319 19302 5496 1 8 . 1 1 8 8 ASP HA H 8 4.554 4.554 4.407 0.147 19302 5497 1 8 . 1 1 8 8 ASP C C 8 176.334 176.334 176.164 0.170 19302 5498 1 8 . 1 1 8 8 ASP CA C 8 54.240 54.240 54.713 -0.473 19302 5499 1 8 . 1 1 8 8 ASP CB C 8 41.354 41.354 38.808 2.546 19302 5500 1 8 . 1 1 8 8 ASP H H 8 8.080 8.080 8.085 -0.005 19302 5501 1 8 . 1 1 9 9 THR N N 9 114.376 114.376 113.731 0.645 19302 5502 1 8 . 1 1 9 9 THR HA H 9 4.170 4.170 4.202 -0.032 19302 5503 1 8 . 1 1 9 9 THR C C 9 174.565 174.565 174.647 -0.082 19302 5504 1 8 . 1 1 9 9 THR CA C 9 62.018 62.018 62.322 -0.304 19302 5505 1 8 . 1 1 9 9 THR CB C 9 69.655 69.655 69.008 0.647 19302 5506 1 8 . 1 1 9 9 THR H H 9 7.982 7.982 8.041 -0.059 19302 5507 1 8 . 1 1 10 10 GLY N N 10 111.726 111.726 109.827 1.899 19302 5508 1 8 . 1 1 10 10 GLY C C 10 171.287 171.287 172.710 -1.423 19302 5509 1 8 . 1 1 10 10 GLY CA C 10 44.627 44.627 44.525 0.102 19302 5510 1 8 . 1 1 10 10 GLY H H 10 8.051 8.051 7.752 0.299 19302 5511 1 8 . 1 1 11 11 PRO HA H 11 4.298 4.298 4.263 0.035 19302 5512 1 8 . 1 1 11 11 PRO C C 11 176.417 176.417 176.378 0.039 19302 5513 1 8 . 1 1 11 11 PRO CA C 11 63.173 63.173 62.685 0.488 19302 5514 1 8 . 1 1 11 11 PRO CB C 11 32.419 32.419 32.633 -0.214 19302 5515 1 8 . 1 1 12 12 VAL N N 12 120.990 120.990 124.306 -3.316 19302 5516 1 8 . 1 1 12 12 VAL HA H 12 3.757 3.757 3.981 -0.224 19302 5517 1 8 . 1 1 12 12 VAL C C 12 174.604 174.604 175.148 -0.544 19302 5518 1 8 . 1 1 12 12 VAL CA C 12 61.747 61.747 63.768 -2.021 19302 5519 1 8 . 1 1 12 12 VAL CB C 12 33.506 33.506 31.889 1.617 19302 5520 1 8 . 1 1 12 12 VAL H H 12 7.667 7.667 8.333 -0.666 19302 5521 1 8 . 1 1 13 13 HIS N N 13 123.020 123.020 127.160 -4.140 19302 5522 1 8 . 1 1 13 13 HIS HA H 13 4.387 4.387 4.903 -0.516 19302 5523 1 8 . 1 1 13 13 HIS C C 13 173.601 173.601 173.529 0.072 19302 5524 1 8 . 1 1 13 13 HIS CA C 13 55.731 55.731 54.797 0.933 19302 5525 1 8 . 1 1 13 13 HIS CB C 13 30.039 30.039 30.271 -0.232 19302 5526 1 8 . 1 1 13 13 HIS H H 13 8.088 8.088 8.356 -0.268 19302 5527 1 8 . 1 1 14 14 VAL N N 14 126.633 126.633 122.232 4.401 19302 5528 1 8 . 1 1 14 14 VAL HA H 14 3.941 3.941 4.413 -0.472 19302 5529 1 8 . 1 1 14 14 VAL C C 14 173.591 173.591 174.387 -0.796 19302 5530 1 8 . 1 1 14 14 VAL CA C 14 59.095 59.095 59.409 -0.314 19302 5531 1 8 . 1 1 14 14 VAL CB C 14 32.976 32.976 32.188 0.788 19302 5532 1 8 . 1 1 14 14 VAL H H 14 8.128 8.128 8.233 -0.105 19302 5533 1 8 . 1 1 15 15 PRO HA H 15 4.042 4.042 4.485 -0.443 19302 5534 1 8 . 1 1 15 15 PRO C C 15 175.581 175.581 176.124 -0.543 19302 5535 1 8 . 1 1 15 15 PRO CA C 15 62.314 62.314 62.746 -0.432 19302 5536 1 8 . 1 1 15 15 PRO CB C 15 31.352 31.352 32.629 -1.277 19302 5537 1 8 . 1 1 16 16 LEU N N 16 122.170 122.170 118.126 4.044 19302 5538 1 8 . 1 1 16 16 LEU HA H 16 4.073 4.073 4.615 -0.542 19302 5539 1 8 . 1 1 16 16 LEU C C 16 180.683 180.683 177.001 3.682 19302 5540 1 8 . 1 1 16 16 LEU CA C 16 56.442 56.442 54.862 1.580 19302 5541 1 8 . 1 1 16 16 LEU CB C 16 41.855 41.855 42.706 -0.852 19302 5542 1 8 . 1 1 16 16 LEU H H 16 8.070 8.070 8.122 -0.052 19302 5543 1 8 . 1 1 17 17 GLY N N 17 114.931 114.931 109.217 5.714 19302 5544 1 8 . 1 1 17 17 GLY C C 17 173.075 173.075 173.279 -0.204 19302 5545 1 8 . 1 1 17 17 GLY CA C 17 45.757 45.757 45.565 0.192 19302 5546 1 8 . 1 1 17 17 GLY H H 17 9.325 9.325 8.069 1.256 19302 5547 1 8 . 1 1 18 18 HIS N N 18 117.638 117.638 121.127 -3.489 19302 5548 1 8 . 1 1 18 18 HIS HA H 18 5.386 5.386 5.176 0.210 19302 5549 1 8 . 1 1 18 18 HIS C C 18 173.186 173.186 173.089 0.097 19302 5550 1 8 . 1 1 18 18 HIS CA C 18 54.007 54.007 54.142 -0.135 19302 5551 1 8 . 1 1 18 18 HIS CB C 18 31.691 31.691 32.010 -0.319 19302 5552 1 8 . 1 1 18 18 HIS H H 18 7.803 7.803 7.313 0.490 19302 5553 1 8 . 1 1 19 19 ILE N N 19 114.669 114.669 117.930 -3.261 19302 5554 1 8 . 1 1 19 19 ILE HA H 19 4.372 4.372 4.845 -0.473 19302 5555 1 8 . 1 1 19 19 ILE C C 19 174.449 174.449 174.713 -0.264 19302 5556 1 8 . 1 1 19 19 ILE CA C 19 60.368 60.368 59.856 0.512 19302 5557 1 8 . 1 1 19 19 ILE CB C 19 42.044 42.044 41.274 0.770 19302 5558 1 8 . 1 1 19 19 ILE H H 19 8.059 8.059 7.938 0.121 19302 5559 1 8 . 1 1 20 20 VAL N N 20 124.211 124.211 120.620 3.591 19302 5560 1 8 . 1 1 20 20 VAL HA H 20 4.730 4.730 4.663 0.067 19302 5561 1 8 . 1 1 20 20 VAL C C 20 174.104 174.104 174.741 -0.637 19302 5562 1 8 . 1 1 20 20 VAL CA C 20 61.322 61.322 60.883 0.439 19302 5563 1 8 . 1 1 20 20 VAL CB C 20 33.255 33.255 34.198 -0.943 19302 5564 1 8 . 1 1 20 20 VAL H H 20 7.525 7.525 8.378 -0.853 19302 5565 1 8 . 1 1 21 21 ALA N N 21 131.125 131.125 126.640 4.485 19302 5566 1 8 . 1 1 21 21 ALA HA H 21 5.095 5.095 4.738 0.357 19302 5567 1 8 . 1 1 21 21 ALA C C 21 175.389 175.389 175.324 0.065 19302 5568 1 8 . 1 1 21 21 ALA CA C 21 49.175 49.175 49.340 -0.165 19302 5569 1 8 . 1 1 21 21 ALA CB C 21 24.297 24.297 22.634 1.663 19302 5570 1 8 . 1 1 21 21 ALA H H 21 9.395 9.395 8.569 0.826 19302 5571 1 8 . 1 1 22 22 ASN N N 22 120.999 120.999 119.346 1.653 19302 5572 1 8 . 1 1 22 22 ASN HA H 22 4.805 4.805 5.307 -0.502 19302 5573 1 8 . 1 1 22 22 ASN C C 22 176.336 176.336 176.702 -0.366 19302 5574 1 8 . 1 1 22 22 ASN CA C 22 54.289 54.289 52.219 2.070 19302 5575 1 8 . 1 1 22 22 ASN CB C 22 39.822 39.822 40.666 -0.844 19302 5576 1 8 . 1 1 22 22 ASN H H 22 8.345 8.345 8.475 -0.130 19302 5577 1 8 . 1 1 23 23 GLU N N 23 128.726 128.726 127.739 0.987 19302 5578 1 8 . 1 1 23 23 GLU HA H 23 3.927 3.927 4.052 -0.125 19302 5579 1 8 . 1 1 23 23 GLU C C 23 176.348 176.348 177.226 -0.878 19302 5580 1 8 . 1 1 23 23 GLU CA C 23 59.171 59.171 59.120 0.051 19302 5581 1 8 . 1 1 23 23 GLU CB C 23 30.365 30.365 29.846 0.519 19302 5582 1 8 . 1 1 23 23 GLU H H 23 7.951 7.951 8.400 -0.449 19302 5583 1 8 . 1 1 24 24 LYS N N 24 119.166 119.166 118.998 0.168 19302 5584 1 8 . 1 1 24 24 LYS HA H 24 3.895 3.895 4.195 -0.300 19302 5585 1 8 . 1 1 24 24 LYS C C 24 176.782 176.782 177.745 -0.963 19302 5586 1 8 . 1 1 24 24 LYS CA C 24 58.379 58.379 58.482 -0.103 19302 5587 1 8 . 1 1 24 24 LYS CB C 24 30.846 30.846 32.349 -1.503 19302 5588 1 8 . 1 1 24 24 LYS H H 24 8.583 8.583 8.780 -0.197 19302 5589 1 8 . 1 1 25 25 TRP N N 25 118.053 118.053 120.910 -2.857 19302 5590 1 8 . 1 1 25 25 TRP HA H 25 4.326 4.326 4.410 -0.084 19302 5591 1 8 . 1 1 25 25 TRP C C 25 177.280 177.280 176.635 0.645 19302 5592 1 8 . 1 1 25 25 TRP CA C 25 56.722 56.722 57.829 -1.107 19302 5593 1 8 . 1 1 25 25 TRP CB C 25 29.506 29.506 29.467 0.039 19302 5594 1 8 . 1 1 25 25 TRP H H 25 8.169 8.169 8.290 -0.121 19302 5595 1 8 . 1 1 26 26 ARG N N 26 127.838 127.838 119.984 7.854 19302 5596 1 8 . 1 1 26 26 ARG HA H 26 3.302 3.302 3.912 -0.610 19302 5597 1 8 . 1 1 26 26 ARG C C 26 177.506 177.506 175.934 1.572 19302 5598 1 8 . 1 1 26 26 ARG CA C 26 59.147 59.147 56.922 2.225 19302 5599 1 8 . 1 1 26 26 ARG CB C 26 29.305 29.305 28.518 0.787 19302 5600 1 8 . 1 1 26 26 ARG H H 26 7.879 7.879 8.045 -0.166 19302 5601 1 8 . 1 1 27 27 GLY N N 27 116.455 116.455 104.485 11.970 19302 5602 1 8 . 1 1 27 27 GLY C C 27 174.037 174.037 174.270 -0.233 19302 5603 1 8 . 1 1 27 27 GLY CA C 27 45.513 45.513 45.312 0.201 19302 5604 1 8 . 1 1 27 27 GLY H H 27 8.968 8.968 8.339 0.629 19302 5605 1 8 . 1 1 28 28 SER N N 28 115.316 115.316 114.429 0.887 19302 5606 1 8 . 1 1 28 28 SER HA H 28 4.357 4.357 3.687 0.670 19302 5607 1 8 . 1 1 28 28 SER C C 28 174.705 174.705 175.414 -0.709 19302 5608 1 8 . 1 1 28 28 SER CA C 28 58.055 58.055 59.594 -1.539 19302 5609 1 8 . 1 1 28 28 SER CB C 28 65.852 65.852 63.299 2.553 19302 5610 1 8 . 1 1 28 28 SER H H 28 7.718 7.718 7.288 0.430 19302 5611 1 8 . 1 1 29 29 GLN N N 29 124.252 124.252 120.950 3.302 19302 5612 1 8 . 1 1 29 29 GLN HA H 29 3.940 3.940 3.900 0.040 19302 5613 1 8 . 1 1 29 29 GLN C C 29 178.221 178.221 177.947 0.274 19302 5614 1 8 . 1 1 29 29 GLN CA C 29 59.678 59.678 58.731 0.947 19302 5615 1 8 . 1 1 29 29 GLN CB C 29 27.932 27.932 28.452 -0.520 19302 5616 1 8 . 1 1 29 29 GLN H H 29 8.987 8.987 8.739 0.248 19302 5617 1 8 . 1 1 30 30 LEU N N 30 119.516 119.516 121.102 -1.586 19302 5618 1 8 . 1 1 30 30 LEU HA H 30 3.649 3.649 4.203 -0.554 19302 5619 1 8 . 1 1 30 30 LEU C C 30 177.674 177.674 178.414 -0.740 19302 5620 1 8 . 1 1 30 30 LEU CA C 30 59.240 59.240 57.825 1.415 19302 5621 1 8 . 1 1 30 30 LEU CB C 30 42.377 42.377 41.038 1.339 19302 5622 1 8 . 1 1 30 30 LEU H H 30 8.469 8.469 7.548 0.921 19302 5623 1 8 . 1 1 31 31 ALA N N 31 118.887 118.887 119.113 -0.226 19302 5624 1 8 . 1 1 31 31 ALA HA H 31 3.787 3.787 4.399 -0.612 19302 5625 1 8 . 1 1 31 31 ALA C C 31 179.914 179.914 179.300 0.614 19302 5626 1 8 . 1 1 31 31 ALA CA C 31 55.346 55.346 54.485 0.861 19302 5627 1 8 . 1 1 31 31 ALA CB C 31 18.725 18.725 18.643 0.082 19302 5628 1 8 . 1 1 31 31 ALA H H 31 7.965 7.965 8.311 -0.346 19302 5629 1 8 . 1 1 32 32 GLN N N 32 119.187 119.187 117.568 1.619 19302 5630 1 8 . 1 1 32 32 GLN HA H 32 3.874 3.874 4.393 -0.519 19302 5631 1 8 . 1 1 32 32 GLN C C 32 179.160 179.160 178.847 0.313 19302 5632 1 8 . 1 1 32 32 GLN CA C 32 59.072 59.072 58.314 0.758 19302 5633 1 8 . 1 1 32 32 GLN CB C 32 28.676 28.676 29.191 -0.515 19302 5634 1 8 . 1 1 32 32 GLN H H 32 8.292 8.292 8.102 0.190 19302 5635 1 8 . 1 1 33 33 GLU N N 33 117.845 117.845 121.464 -3.619 19302 5636 1 8 . 1 1 33 33 GLU HA H 33 3.932 3.932 4.081 -0.149 19302 5637 1 8 . 1 1 33 33 GLU C C 33 178.487 178.487 178.876 -0.389 19302 5638 1 8 . 1 1 33 33 GLU CA C 33 57.948 57.948 59.216 -1.268 19302 5639 1 8 . 1 1 33 33 GLU CB C 33 29.221 29.221 29.573 -0.352 19302 5640 1 8 . 1 1 33 33 GLU H H 33 8.157 8.157 8.219 -0.062 19302 5641 1 8 . 1 1 34 34 MET N N 34 116.546 116.546 118.510 -1.964 19302 5642 1 8 . 1 1 34 34 MET HA H 34 3.911 3.911 3.989 -0.078 19302 5643 1 8 . 1 1 34 34 MET C C 34 176.992 176.992 177.553 -0.561 19302 5644 1 8 . 1 1 34 34 MET CA C 34 58.485 58.485 59.685 -1.200 19302 5645 1 8 . 1 1 34 34 MET CB C 34 34.045 34.045 32.397 1.648 19302 5646 1 8 . 1 1 34 34 MET H H 34 7.452 7.452 8.011 -0.559 19302 5647 1 8 . 1 1 35 35 GLN N N 35 118.259 118.259 117.500 0.759 19302 5648 1 8 . 1 1 35 35 GLN HA H 35 4.219 4.219 4.536 -0.317 19302 5649 1 8 . 1 1 35 35 GLN C C 35 176.544 176.544 178.249 -1.705 19302 5650 1 8 . 1 1 35 35 GLN CA C 35 58.039 58.039 57.443 0.596 19302 5651 1 8 . 1 1 35 35 GLN CB C 35 28.381 28.381 28.537 -0.156 19302 5652 1 8 . 1 1 35 35 GLN H H 35 7.605 7.605 7.640 -0.035 19302 5653 1 8 . 1 1 36 36 GLY N N 36 110.354 110.354 106.303 4.051 19302 5654 1 8 . 1 1 36 36 GLY C C 36 174.291 174.291 174.473 -0.182 19302 5655 1 8 . 1 1 36 36 GLY CA C 36 45.517 45.517 45.632 -0.115 19302 5656 1 8 . 1 1 36 36 GLY H H 36 8.178 8.178 8.685 -0.507 19302 5657 1 8 . 1 1 37 37 LYS N N 37 119.406 119.406 118.196 1.210 19302 5658 1 8 . 1 1 37 37 LYS HA H 37 4.254 4.254 4.528 -0.274 19302 5659 1 8 . 1 1 37 37 LYS C C 37 175.387 175.387 175.911 -0.524 19302 5660 1 8 . 1 1 37 37 LYS CA C 37 57.173 57.173 56.420 0.753 19302 5661 1 8 . 1 1 37 37 LYS CB C 37 35.261 35.261 35.749 -0.488 19302 5662 1 8 . 1 1 37 37 LYS H H 37 7.837 7.837 7.765 0.072 19302 5663 1 8 . 1 1 38 38 ILE N N 38 118.201 118.201 120.471 -2.270 19302 5664 1 8 . 1 1 38 38 ILE HA H 38 4.138 4.138 4.295 -0.157 19302 5665 1 8 . 1 1 38 38 ILE C C 38 172.937 172.937 173.539 -0.602 19302 5666 1 8 . 1 1 38 38 ILE CA C 38 59.055 59.055 58.859 0.195 19302 5667 1 8 . 1 1 38 38 ILE CB C 38 41.631 41.631 42.092 -0.461 19302 5668 1 8 . 1 1 38 38 ILE H H 38 7.821 7.821 8.370 -0.549 19302 5669 1 8 . 1 1 39 39 LYS N N 39 122.826 122.826 122.424 0.402 19302 5670 1 8 . 1 1 39 39 LYS HA H 39 4.187 4.187 4.600 -0.413 19302 5671 1 8 . 1 1 39 39 LYS C C 39 174.751 174.751 174.439 0.312 19302 5672 1 8 . 1 1 39 39 LYS CA C 39 55.865 55.865 56.009 -0.144 19302 5673 1 8 . 1 1 39 39 LYS CB C 39 33.007 33.007 33.497 -0.490 19302 5674 1 8 . 1 1 39 39 LYS H H 39 7.126 7.126 8.665 -1.539 19302 5675 1 8 . 1 1 40 40 LEU N N 40 124.298 124.298 126.278 -1.980 19302 5676 1 8 . 1 1 40 40 LEU HA H 40 4.667 4.667 4.839 -0.172 19302 5677 1 8 . 1 1 40 40 LEU C C 40 176.473 176.473 175.537 0.936 19302 5678 1 8 . 1 1 40 40 LEU CA C 40 54.607 54.607 53.064 1.543 19302 5679 1 8 . 1 1 40 40 LEU CB C 40 44.102 44.102 44.001 0.101 19302 5680 1 8 . 1 1 40 40 LEU H H 40 8.102 8.102 8.449 -0.347 19302 5681 1 8 . 1 1 41 41 ILE N N 41 124.128 124.128 124.211 -0.083 19302 5682 1 8 . 1 1 41 41 ILE HA H 41 4.092 4.092 4.129 -0.037 19302 5683 1 8 . 1 1 41 41 ILE C C 41 174.360 174.360 174.053 0.307 19302 5684 1 8 . 1 1 41 41 ILE CA C 41 60.208 60.208 59.804 0.404 19302 5685 1 8 . 1 1 41 41 ILE CB C 41 40.867 40.867 41.009 -0.142 19302 5686 1 8 . 1 1 41 41 ILE H H 41 8.208 8.208 8.081 0.127 19302 5687 1 8 . 1 1 42 42 PHE N N 42 125.226 125.226 122.388 2.838 19302 5688 1 8 . 1 1 42 42 PHE HA H 42 5.501 5.501 5.287 0.214 19302 5689 1 8 . 1 1 42 42 PHE C C 42 176.313 176.313 175.507 0.806 19302 5690 1 8 . 1 1 42 42 PHE CA C 42 57.720 57.720 56.343 1.377 19302 5691 1 8 . 1 1 42 42 PHE CB C 42 41.630 41.630 40.894 0.736 19302 5692 1 8 . 1 1 42 42 PHE H H 42 8.636 8.636 8.586 0.050 19302 5693 1 8 . 1 1 43 43 GLU N N 43 121.397 121.397 124.822 -3.425 19302 5694 1 8 . 1 1 43 43 GLU HA H 43 4.643 4.643 4.759 -0.116 19302 5695 1 8 . 1 1 43 43 GLU C C 43 175.211 175.211 175.032 0.179 19302 5696 1 8 . 1 1 43 43 GLU CA C 43 55.131 55.131 54.837 0.294 19302 5697 1 8 . 1 1 43 43 GLU CB C 43 33.367 33.367 33.684 -0.317 19302 5698 1 8 . 1 1 43 43 GLU H H 43 8.589 8.589 9.275 -0.686 19302 5699 1 8 . 1 1 44 44 ASP N N 44 124.759 124.759 123.097 1.662 19302 5700 1 8 . 1 1 44 44 ASP HA H 44 4.708 4.708 4.597 0.111 19302 5701 1 8 . 1 1 44 44 ASP C C 44 177.308 177.308 177.187 0.121 19302 5702 1 8 . 1 1 44 44 ASP CA C 44 53.737 53.737 53.795 -0.058 19302 5703 1 8 . 1 1 44 44 ASP CB C 44 42.365 42.365 41.300 1.065 19302 5704 1 8 . 1 1 44 44 ASP H H 44 8.729 8.729 8.653 0.076 19302 5705 1 8 . 1 1 45 45 GLY N N 45 108.414 108.414 109.307 -0.893 19302 5706 1 8 . 1 1 45 45 GLY C C 45 174.426 174.426 174.164 0.262 19302 5707 1 8 . 1 1 45 45 GLY CA C 45 46.367 46.367 44.961 1.406 19302 5708 1 8 . 1 1 45 45 GLY H H 45 8.564 8.564 8.666 -0.102 19302 5709 1 8 . 1 1 46 46 LEU N N 46 119.025 119.025 119.777 -0.752 19302 5710 1 8 . 1 1 46 46 LEU HA H 46 4.356 4.356 4.385 -0.029 19302 5711 1 8 . 1 1 46 46 LEU C C 46 177.414 177.414 176.882 0.532 19302 5712 1 8 . 1 1 46 46 LEU CA C 46 54.189 54.189 54.646 -0.457 19302 5713 1 8 . 1 1 46 46 LEU CB C 46 43.853 43.853 42.822 1.031 19302 5714 1 8 . 1 1 46 46 LEU H H 46 7.130 7.130 7.600 -0.470 19302 5715 1 8 . 1 1 47 47 THR N N 47 117.926 117.926 114.409 3.517 19302 5716 1 8 . 1 1 47 47 THR HA H 47 4.326 4.326 4.471 -0.145 19302 5717 1 8 . 1 1 47 47 THR CA C 47 67.458 67.458 62.699 4.759 19302 5718 1 8 . 1 1 47 47 THR H H 47 9.042 9.042 8.327 0.715 19302 5719 1 8 . 1 1 48 48 PRO HA H 48 4.163 4.163 4.263 -0.100 19302 5720 1 8 . 1 1 48 48 PRO CA C 48 62.301 62.301 62.940 -0.639 19302 5721 1 8 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.299 -0.775 19302 5722 1 8 . 1 1 49 49 ASP N N 49 116.671 116.671 118.006 -1.335 19302 5723 1 8 . 1 1 49 49 ASP HA H 49 4.336 4.336 4.813 -0.477 19302 5724 1 8 . 1 1 49 49 ASP C C 49 174.082 174.082 175.593 -1.511 19302 5725 1 8 . 1 1 49 49 ASP CA C 49 58.985 58.985 55.798 3.187 19302 5726 1 8 . 1 1 49 49 ASP CB C 49 43.773 43.773 43.032 0.741 19302 5727 1 8 . 1 1 49 49 ASP H H 49 7.731 7.731 8.051 -0.320 19302 5728 1 8 . 1 1 50 50 PHE N N 50 109.227 109.227 117.675 -8.448 19302 5729 1 8 . 1 1 50 50 PHE HA H 50 5.488 5.488 5.316 0.172 19302 5730 1 8 . 1 1 50 50 PHE C C 50 175.293 175.293 173.707 1.586 19302 5731 1 8 . 1 1 50 50 PHE CA C 50 55.516 55.516 57.132 -1.616 19302 5732 1 8 . 1 1 50 50 PHE CB C 50 43.280 43.280 43.102 0.178 19302 5733 1 8 . 1 1 50 50 PHE H H 50 7.324 7.324 7.995 -0.671 19302 5734 1 8 . 1 1 51 51 TYR N N 51 122.688 122.688 124.249 -1.561 19302 5735 1 8 . 1 1 51 51 TYR HA H 51 4.717 4.717 4.914 -0.197 19302 5736 1 8 . 1 1 51 51 TYR C C 51 174.427 174.427 175.054 -0.627 19302 5737 1 8 . 1 1 51 51 TYR CA C 51 59.097 59.097 56.931 2.166 19302 5738 1 8 . 1 1 51 51 TYR CB C 51 39.893 39.893 39.517 0.376 19302 5739 1 8 . 1 1 51 51 TYR H H 51 9.944 9.944 9.028 0.916 19302 5740 1 8 . 1 1 52 52 LEU N N 52 121.948 121.948 128.853 -6.905 19302 5741 1 8 . 1 1 52 52 LEU HA H 52 4.231 4.231 4.377 -0.146 19302 5742 1 8 . 1 1 52 52 LEU C C 52 175.771 175.771 176.838 -1.067 19302 5743 1 8 . 1 1 52 52 LEU CA C 52 55.320 55.320 57.067 -1.747 19302 5744 1 8 . 1 1 52 52 LEU CB C 52 42.874 42.874 42.985 -0.111 19302 5745 1 8 . 1 1 52 52 LEU H H 52 8.225 8.225 8.424 -0.199 19302 5746 1 8 . 1 1 53 53 SER N N 53 111.729 111.729 110.750 0.979 19302 5747 1 8 . 1 1 53 53 SER HA H 53 4.267 4.267 4.564 -0.297 19302 5748 1 8 . 1 1 53 53 SER C C 53 173.134 173.134 172.467 0.667 19302 5749 1 8 . 1 1 53 53 SER CA C 53 56.843 56.843 57.631 -0.788 19302 5750 1 8 . 1 1 53 53 SER CB C 53 64.642 64.642 65.730 -1.088 19302 5751 1 8 . 1 1 53 53 SER H H 53 8.487 8.487 7.844 0.643 19302 5752 1 8 . 1 1 54 54 ASN N N 54 116.204 116.204 122.294 -6.090 19302 5753 1 8 . 1 1 54 54 ASN HA H 54 4.388 4.388 4.280 0.108 19302 5754 1 8 . 1 1 54 54 ASN C C 54 175.095 175.095 174.707 0.388 19302 5755 1 8 . 1 1 54 54 ASN CA C 54 55.905 55.905 54.599 1.306 19302 5756 1 8 . 1 1 54 54 ASN CB C 54 37.761 37.761 37.949 -0.188 19302 5757 1 8 . 1 1 54 54 ASN H H 54 8.682 8.682 8.661 0.021 19302 5758 1 8 . 1 1 55 55 ARG N N 55 112.605 112.605 118.922 -6.317 19302 5759 1 8 . 1 1 55 55 ARG HA H 55 4.607 4.607 4.381 0.226 19302 5760 1 8 . 1 1 55 55 ARG C C 55 175.506 175.506 173.886 1.620 19302 5761 1 8 . 1 1 55 55 ARG CA C 55 55.586 55.586 57.123 -1.538 19302 5762 1 8 . 1 1 55 55 ARG CB C 55 31.688 31.688 32.195 -0.507 19302 5763 1 8 . 1 1 55 55 ARG H H 55 7.783 7.783 9.204 -1.421 19302 5764 1 8 . 1 1 56 56 CYS N N 56 122.261 122.261 119.562 2.699 19302 5765 1 8 . 1 1 56 56 CYS HA H 56 5.194 5.194 4.905 0.289 19302 5766 1 8 . 1 1 56 56 CYS C C 56 172.619 172.619 173.430 -0.811 19302 5767 1 8 . 1 1 56 56 CYS CA C 56 58.099 58.099 58.648 -0.549 19302 5768 1 8 . 1 1 56 56 CYS CB C 56 28.338 28.338 30.922 -2.584 19302 5769 1 8 . 1 1 56 56 CYS H H 56 7.379 7.379 8.768 -1.389 19302 5770 1 8 . 1 1 57 57 CYS N N 57 124.705 124.705 120.795 3.910 19302 5771 1 8 . 1 1 57 57 CYS HA H 57 5.380 5.380 5.134 0.246 19302 5772 1 8 . 1 1 57 57 CYS C C 57 160.640 160.640 172.857 -12.217 19302 5773 1 8 . 1 1 57 57 CYS CA C 57 54.521 54.521 55.647 -1.126 19302 5774 1 8 . 1 1 57 57 CYS CB C 57 32.506 32.506 31.216 1.290 19302 5775 1 8 . 1 1 57 57 CYS H H 57 8.980 8.980 8.753 0.227 19302 5776 1 8 . 1 1 58 58 ILE N N 58 118.279 118.279 118.624 -0.345 19302 5777 1 8 . 1 1 58 58 ILE HA H 58 5.181 5.181 4.686 0.495 19302 5778 1 8 . 1 1 58 58 ILE C C 58 175.707 175.707 174.100 1.607 19302 5779 1 8 . 1 1 58 58 ILE CA C 58 58.535 58.535 60.370 -1.835 19302 5780 1 8 . 1 1 58 58 ILE CB C 58 41.538 41.538 41.870 -0.332 19302 5781 1 8 . 1 1 58 58 ILE H H 58 8.960 8.960 8.887 0.073 19302 5782 1 8 . 1 1 59 59 LEU N N 59 130.422 130.422 127.738 2.684 19302 5783 1 8 . 1 1 59 59 LEU HA H 59 4.716 4.716 4.797 -0.081 19302 5784 1 8 . 1 1 59 59 LEU C C 59 172.275 172.275 174.300 -2.025 19302 5785 1 8 . 1 1 59 59 LEU CA C 59 53.756 53.756 53.466 0.290 19302 5786 1 8 . 1 1 59 59 LEU CB C 59 42.530 42.530 46.142 -3.612 19302 5787 1 8 . 1 1 59 59 LEU H H 59 9.078 9.078 8.306 0.772 19302 5788 1 8 . 1 1 60 60 TYR N N 60 129.820 129.820 126.849 2.971 19302 5789 1 8 . 1 1 60 60 TYR HA H 60 5.110 5.110 4.636 0.474 19302 5790 1 8 . 1 1 60 60 TYR C C 60 174.911 174.911 174.438 0.473 19302 5791 1 8 . 1 1 60 60 TYR CA C 60 56.689 56.689 57.704 -1.015 19302 5792 1 8 . 1 1 60 60 TYR CB C 60 41.643 41.643 39.591 2.052 19302 5793 1 8 . 1 1 60 60 TYR H H 60 10.120 10.120 8.663 1.457 19302 5794 1 8 . 1 1 61 61 VAL N N 61 132.504 132.504 127.529 4.975 19302 5795 1 8 . 1 1 61 61 VAL HA H 61 4.232 4.232 4.203 0.029 19302 5796 1 8 . 1 1 61 61 VAL C C 61 174.433 174.433 174.224 0.209 19302 5797 1 8 . 1 1 61 61 VAL CA C 61 61.641 61.641 60.531 1.110 19302 5798 1 8 . 1 1 61 61 VAL CB C 61 33.305 33.305 35.032 -1.727 19302 5799 1 8 . 1 1 61 61 VAL H H 61 8.903 8.903 8.084 0.819 19302 5800 1 8 . 1 1 62 62 THR N N 62 116.863 116.863 115.581 1.282 19302 5801 1 8 . 1 1 62 62 THR HA H 62 4.024 4.024 4.564 -0.540 19302 5802 1 8 . 1 1 62 62 THR C C 62 175.118 175.118 175.143 -0.025 19302 5803 1 8 . 1 1 62 62 THR CA C 62 60.650 60.650 59.780 0.870 19302 5804 1 8 . 1 1 62 62 THR CB C 62 72.134 72.134 71.702 0.432 19302 5805 1 8 . 1 1 62 62 THR H H 62 8.559 8.559 8.149 0.410 19302 5806 1 8 . 1 1 63 63 GLU N N 63 120.767 120.767 127.595 -6.828 19302 5807 1 8 . 1 1 63 63 GLU HA H 63 3.776 3.776 3.786 -0.010 19302 5808 1 8 . 1 1 63 63 GLU C C 63 177.194 177.194 177.719 -0.525 19302 5809 1 8 . 1 1 63 63 GLU CA C 63 60.496 60.496 60.409 0.087 19302 5810 1 8 . 1 1 63 63 GLU CB C 63 30.709 30.709 29.723 0.987 19302 5811 1 8 . 1 1 63 63 GLU H H 63 9.165 9.165 8.691 0.474 19302 5812 1 8 . 1 1 64 64 ALA N N 64 119.167 119.167 121.640 -2.473 19302 5813 1 8 . 1 1 64 64 ALA HA H 64 3.998 3.998 4.036 -0.038 19302 5814 1 8 . 1 1 64 64 ALA C C 64 180.477 180.477 179.322 1.155 19302 5815 1 8 . 1 1 64 64 ALA CA C 64 54.912 54.912 55.032 -0.120 19302 5816 1 8 . 1 1 64 64 ALA CB C 64 17.899 17.899 18.122 -0.223 19302 5817 1 8 . 1 1 64 64 ALA H H 64 7.919 7.919 7.774 0.145 19302 5818 1 8 . 1 1 65 65 ASP N N 65 119.995 119.995 118.552 1.443 19302 5819 1 8 . 1 1 65 65 ASP HA H 65 4.026 4.026 4.406 -0.380 19302 5820 1 8 . 1 1 65 65 ASP C C 65 177.891 177.891 177.801 0.090 19302 5821 1 8 . 1 1 65 65 ASP CA C 65 57.412 57.412 56.483 0.929 19302 5822 1 8 . 1 1 65 65 ASP CB C 65 41.112 41.112 40.722 0.390 19302 5823 1 8 . 1 1 65 65 ASP H H 65 7.851 7.851 8.288 -0.437 19302 5824 1 8 . 1 1 66 66 LEU N N 66 118.585 118.585 120.476 -1.891 19302 5825 1 8 . 1 1 66 66 LEU HA H 66 3.813 3.813 4.009 -0.196 19302 5826 1 8 . 1 1 66 66 LEU C C 66 178.892 178.892 178.408 0.484 19302 5827 1 8 . 1 1 66 66 LEU CA C 66 56.943 56.943 57.596 -0.653 19302 5828 1 8 . 1 1 66 66 LEU CB C 66 41.700 41.700 42.215 -0.515 19302 5829 1 8 . 1 1 66 66 LEU H H 66 7.210 7.210 7.732 -0.522 19302 5830 1 8 . 1 1 67 67 VAL N N 67 117.714 117.714 117.666 0.048 19302 5831 1 8 . 1 1 67 67 VAL HA H 67 3.088 3.088 3.578 -0.490 19302 5832 1 8 . 1 1 67 67 VAL C C 67 177.430 177.430 176.682 0.748 19302 5833 1 8 . 1 1 67 67 VAL CA C 67 64.392 64.392 65.141 -0.749 19302 5834 1 8 . 1 1 67 67 VAL CB C 67 31.974 31.974 31.608 0.366 19302 5835 1 8 . 1 1 67 67 VAL H H 67 7.774 7.774 7.819 -0.045 19302 5836 1 8 . 1 1 68 68 ALA N N 68 120.210 120.210 121.100 -0.890 19302 5837 1 8 . 1 1 68 68 ALA HA H 68 3.992 3.992 4.493 -0.501 19302 5838 1 8 . 1 1 68 68 ALA C C 68 178.127 178.127 178.097 0.030 19302 5839 1 8 . 1 1 68 68 ALA CA C 68 53.540 53.540 52.354 1.186 19302 5840 1 8 . 1 1 68 68 ALA CB C 68 18.849 18.849 20.047 -1.198 19302 5841 1 8 . 1 1 68 68 ALA H H 68 7.336 7.336 7.864 -0.528 19302 5842 1 8 . 1 1 69 69 GLY N N 69 106.149 106.149 109.343 -3.194 19302 5843 1 8 . 1 1 69 69 GLY C C 69 173.298 173.298 174.267 -0.969 19302 5844 1 8 . 1 1 69 69 GLY CA C 69 45.057 45.057 46.174 -1.117 19302 5845 1 8 . 1 1 69 69 GLY H H 69 7.143 7.143 8.150 -1.007 19302 5846 1 8 . 1 1 70 70 ASN N N 70 118.879 118.879 116.961 1.918 19302 5847 1 8 . 1 1 70 70 ASN HA H 70 4.855 4.855 4.849 0.006 19302 5848 1 8 . 1 1 70 70 ASN C C 70 177.766 177.766 174.332 3.434 19302 5849 1 8 . 1 1 70 70 ASN CA C 70 52.611 52.611 53.495 -0.884 19302 5850 1 8 . 1 1 70 70 ASN CB C 70 38.356 38.356 39.696 -1.340 19302 5851 1 8 . 1 1 70 70 ASN H H 70 8.316 8.316 8.195 0.121 19302 5852 1 8 . 1 1 71 71 GLY N N 71 114.725 114.725 107.798 6.927 19302 5853 1 8 . 1 1 71 71 GLY C C 71 176.515 176.515 174.994 1.521 19302 5854 1 8 . 1 1 71 71 GLY CA C 71 47.575 47.575 46.384 1.191 19302 5855 1 8 . 1 1 71 71 GLY H H 71 8.812 8.812 8.015 0.797 19302 5856 1 8 . 1 1 72 72 TYR N N 72 118.594 118.594 122.182 -3.588 19302 5857 1 8 . 1 1 72 72 TYR HA H 72 4.182 4.182 4.433 -0.251 19302 5858 1 8 . 1 1 72 72 TYR C C 72 176.205 176.205 176.533 -0.328 19302 5859 1 8 . 1 1 72 72 TYR CA C 72 59.287 59.287 58.614 0.673 19302 5860 1 8 . 1 1 72 72 TYR CB C 72 37.305 37.305 38.684 -1.379 19302 5861 1 8 . 1 1 72 72 TYR H H 72 8.067 8.067 8.354 -0.287 19302 5862 1 8 . 1 1 73 73 ARG N N 73 119.967 119.967 120.054 -0.087 19302 5863 1 8 . 1 1 73 73 ARG HA H 73 3.261 3.261 3.834 -0.573 19302 5864 1 8 . 1 1 73 73 ARG C C 73 177.612 177.612 177.298 0.314 19302 5865 1 8 . 1 1 73 73 ARG CA C 73 59.984 59.984 59.579 0.405 19302 5866 1 8 . 1 1 73 73 ARG CB C 73 29.286 29.286 29.867 -0.581 19302 5867 1 8 . 1 1 73 73 ARG H H 73 6.715 6.715 8.687 -1.972 19302 5868 1 8 . 1 1 74 74 LYS N N 74 116.928 116.928 117.759 -0.831 19302 5869 1 8 . 1 1 74 74 LYS HA H 74 3.728 3.728 3.993 -0.265 19302 5870 1 8 . 1 1 74 74 LYS C C 74 179.161 179.161 179.087 0.074 19302 5871 1 8 . 1 1 74 74 LYS CA C 74 59.770 59.770 59.071 0.699 19302 5872 1 8 . 1 1 74 74 LYS CB C 74 32.037 32.037 32.172 -0.135 19302 5873 1 8 . 1 1 74 74 LYS H H 74 7.169 7.169 7.714 -0.545 19302 5874 1 8 . 1 1 75 75 ARG N N 75 117.727 117.727 119.845 -2.118 19302 5875 1 8 . 1 1 75 75 ARG HA H 75 3.753 3.753 3.952 -0.199 19302 5876 1 8 . 1 1 75 75 ARG C C 75 177.176 177.176 178.479 -1.303 19302 5877 1 8 . 1 1 75 75 ARG CA C 75 59.596 59.596 57.672 1.924 19302 5878 1 8 . 1 1 75 75 ARG CB C 75 31.110 31.110 29.134 1.976 19302 5879 1 8 . 1 1 75 75 ARG H H 75 7.511 7.511 7.972 -0.461 19302 5880 1 8 . 1 1 76 76 LEU N N 76 118.105 118.105 119.906 -1.801 19302 5881 1 8 . 1 1 76 76 LEU HA H 76 3.575 3.575 3.905 -0.330 19302 5882 1 8 . 1 1 76 76 LEU C C 76 178.325 178.325 179.016 -0.691 19302 5883 1 8 . 1 1 76 76 LEU CA C 76 59.496 59.496 58.017 1.479 19302 5884 1 8 . 1 1 76 76 LEU CB C 76 41.124 41.124 41.893 -0.769 19302 5885 1 8 . 1 1 76 76 LEU H H 76 6.770 6.770 7.263 -0.493 19302 5886 1 8 . 1 1 77 77 VAL N N 77 117.854 117.854 119.542 -1.688 19302 5887 1 8 . 1 1 77 77 VAL HA H 77 3.243 3.243 3.521 -0.278 19302 5888 1 8 . 1 1 77 77 VAL C C 77 177.335 177.335 177.878 -0.543 19302 5889 1 8 . 1 1 77 77 VAL CA C 77 66.596 66.596 66.384 0.212 19302 5890 1 8 . 1 1 77 77 VAL CB C 77 31.703 31.703 31.537 0.166 19302 5891 1 8 . 1 1 77 77 VAL H H 77 7.800 7.800 7.634 0.166 19302 5892 1 8 . 1 1 78 78 ARG N N 78 118.783 118.783 120.010 -1.227 19302 5893 1 8 . 1 1 78 78 ARG HA H 78 3.872 3.872 3.968 -0.096 19302 5894 1 8 . 1 1 78 78 ARG C C 78 179.484 179.484 178.060 1.424 19302 5895 1 8 . 1 1 78 78 ARG CA C 78 59.337 59.337 58.999 0.338 19302 5896 1 8 . 1 1 78 78 ARG CB C 78 29.921 29.921 29.597 0.324 19302 5897 1 8 . 1 1 78 78 ARG H H 78 7.385 7.385 7.569 -0.184 19302 5898 1 8 . 1 1 79 79 VAL N N 79 118.747 118.747 117.837 0.910 19302 5899 1 8 . 1 1 79 79 VAL HA H 79 3.434 3.434 3.668 -0.234 19302 5900 1 8 . 1 1 79 79 VAL C C 79 177.902 177.902 177.379 0.523 19302 5901 1 8 . 1 1 79 79 VAL CA C 79 66.771 66.771 65.874 0.897 19302 5902 1 8 . 1 1 79 79 VAL CB C 79 31.327 31.327 31.670 -0.343 19302 5903 1 8 . 1 1 79 79 VAL H H 79 7.374 7.374 7.466 -0.092 19302 5904 1 8 . 1 1 80 80 ARG N N 80 122.868 122.868 119.788 3.080 19302 5905 1 8 . 1 1 80 80 ARG HA H 80 3.960 3.960 4.074 -0.114 19302 5906 1 8 . 1 1 80 80 ARG C C 80 177.893 177.893 177.839 0.054 19302 5907 1 8 . 1 1 80 80 ARG CA C 80 58.256 58.256 59.038 -0.783 19302 5908 1 8 . 1 1 80 80 ARG CB C 80 29.141 29.141 30.216 -1.075 19302 5909 1 8 . 1 1 80 80 ARG H H 80 8.268 8.268 8.214 0.054 19302 5910 1 8 . 1 1 81 81 ASN N N 81 115.469 115.469 117.735 -2.266 19302 5911 1 8 . 1 1 81 81 ASN HA H 81 4.528 4.528 4.446 0.082 19302 5912 1 8 . 1 1 81 81 ASN C C 81 175.329 175.329 177.058 -1.729 19302 5913 1 8 . 1 1 81 81 ASN CA C 81 53.553 53.553 56.003 -2.450 19302 5914 1 8 . 1 1 81 81 ASN CB C 81 38.358 38.358 38.133 0.225 19302 5915 1 8 . 1 1 81 81 ASN H H 81 7.878 7.878 7.784 0.094 19302 5916 1 8 . 1 1 82 82 SER N N 82 117.226 117.226 115.283 1.943 19302 5917 1 8 . 1 1 82 82 SER HA H 82 4.350 4.350 4.193 0.157 19302 5918 1 8 . 1 1 82 82 SER C C 82 175.243 175.243 174.925 0.318 19302 5919 1 8 . 1 1 82 82 SER CA C 82 59.045 59.045 60.942 -1.897 19302 5920 1 8 . 1 1 82 82 SER CB C 82 63.929 63.929 63.499 0.430 19302 5921 1 8 . 1 1 82 82 SER H H 82 7.528 7.528 7.831 -0.303 19302 5922 1 8 . 1 1 83 83 ASN N N 83 121.059 121.059 113.974 7.085 19302 5923 1 8 . 1 1 83 83 ASN HA H 83 4.402 4.402 4.773 -0.371 19302 5924 1 8 . 1 1 83 83 ASN C C 83 175.260 175.260 172.901 2.359 19302 5925 1 8 . 1 1 83 83 ASN CA C 83 54.583 54.583 52.672 1.911 19302 5926 1 8 . 1 1 83 83 ASN CB C 83 38.909 38.909 39.492 -0.583 19302 5927 1 8 . 1 1 83 83 ASN H H 83 8.348 8.348 7.943 0.405 19302 5928 1 8 . 1 1 84 84 ASN N N 84 117.070 117.070 118.754 -1.684 19302 5929 1 8 . 1 1 84 84 ASN HA H 84 4.422 4.422 5.030 -0.608 19302 5930 1 8 . 1 1 84 84 ASN C C 84 173.609 173.609 174.335 -0.726 19302 5931 1 8 . 1 1 84 84 ASN CA C 84 53.753 53.753 52.678 1.075 19302 5932 1 8 . 1 1 84 84 ASN CB C 84 38.551 38.551 38.379 0.172 19302 5933 1 8 . 1 1 84 84 ASN H H 84 8.466 8.466 8.453 0.013 19302 5934 1 8 . 1 1 85 85 LEU N N 85 119.048 119.048 119.234 -0.186 19302 5935 1 8 . 1 1 85 85 LEU HA H 85 4.518 4.518 4.809 -0.291 19302 5936 1 8 . 1 1 85 85 LEU C C 85 175.397 175.397 177.220 -1.823 19302 5937 1 8 . 1 1 85 85 LEU CA C 85 54.094 54.094 53.854 0.240 19302 5938 1 8 . 1 1 85 85 LEU CB C 85 44.902 44.902 42.658 2.244 19302 5939 1 8 . 1 1 85 85 LEU H H 85 7.453 7.453 7.741 -0.288 19302 5940 1 8 . 1 1 86 86 LYS N N 86 125.959 125.959 120.640 5.319 19302 5941 1 8 . 1 1 86 86 LYS HA H 86 4.397 4.397 4.558 -0.161 19302 5942 1 8 . 1 1 86 86 LYS C C 86 175.209 175.209 176.075 -0.866 19302 5943 1 8 . 1 1 86 86 LYS CA C 86 54.934 54.934 55.370 -0.436 19302 5944 1 8 . 1 1 86 86 LYS CB C 86 33.581 33.581 31.510 2.071 19302 5945 1 8 . 1 1 86 86 LYS H H 86 8.242 8.242 8.296 -0.054 19302 5946 1 8 . 1 1 87 87 GLY N N 87 113.359 113.359 110.255 3.104 19302 5947 1 8 . 1 1 87 87 GLY C C 87 171.780 171.780 172.929 -1.149 19302 5948 1 8 . 1 1 87 87 GLY CA C 87 44.894 44.894 43.688 1.206 19302 5949 1 8 . 1 1 87 87 GLY H H 87 8.840 8.840 7.901 0.939 19302 5950 1 8 . 1 1 88 88 ILE N N 88 125.743 125.743 118.901 6.842 19302 5951 1 8 . 1 1 88 88 ILE HA H 88 4.077 4.077 4.718 -0.641 19302 5952 1 8 . 1 1 88 88 ILE C C 88 174.254 174.254 175.792 -1.538 19302 5953 1 8 . 1 1 88 88 ILE CA C 88 60.766 60.766 60.475 0.291 19302 5954 1 8 . 1 1 88 88 ILE CB C 88 40.483 40.483 40.251 0.232 19302 5955 1 8 . 1 1 88 88 ILE H H 88 8.411 8.411 8.348 0.063 19302 5956 1 8 . 1 1 89 89 VAL N N 89 129.556 129.556 128.529 1.027 19302 5957 1 8 . 1 1 89 89 VAL HA H 89 4.762 4.762 4.309 0.453 19302 5958 1 8 . 1 1 89 89 VAL C C 89 174.205 174.205 175.481 -1.276 19302 5959 1 8 . 1 1 89 89 VAL CA C 89 61.224 61.224 62.321 -1.097 19302 5960 1 8 . 1 1 89 89 VAL CB C 89 31.924 31.924 31.211 0.713 19302 5961 1 8 . 1 1 89 89 VAL H H 89 8.859 8.859 9.234 -0.375 19302 5962 1 8 . 1 1 90 90 VAL N N 90 130.678 130.678 129.618 1.060 19302 5963 1 8 . 1 1 90 90 VAL HA H 90 4.804 4.804 4.665 0.139 19302 5964 1 8 . 1 1 90 90 VAL C C 90 173.650 173.650 175.114 -1.464 19302 5965 1 8 . 1 1 90 90 VAL CA C 90 60.478 60.478 61.588 -1.110 19302 5966 1 8 . 1 1 90 90 VAL CB C 90 33.666 33.666 33.539 0.127 19302 5967 1 8 . 1 1 90 90 VAL H H 90 8.747 8.747 9.023 -0.276 19302 5968 1 8 . 1 1 91 91 VAL N N 91 122.793 122.793 125.003 -2.210 19302 5969 1 8 . 1 1 91 91 VAL HA H 91 5.019 5.019 4.327 0.692 19302 5970 1 8 . 1 1 91 91 VAL C C 91 173.241 173.241 174.003 -0.762 19302 5971 1 8 . 1 1 91 91 VAL CA C 91 56.898 56.898 60.112 -3.214 19302 5972 1 8 . 1 1 91 91 VAL CB C 91 35.349 35.349 36.203 -0.855 19302 5973 1 8 . 1 1 91 91 VAL H H 91 7.758 7.758 7.900 -0.142 19302 5974 1 8 . 1 1 92 92 GLU N N 92 125.925 125.925 124.901 1.024 19302 5975 1 8 . 1 1 92 92 GLU HA H 92 4.208 4.208 4.498 -0.290 19302 5976 1 8 . 1 1 92 92 GLU C C 92 173.665 173.665 175.144 -1.479 19302 5977 1 8 . 1 1 92 92 GLU CA C 92 55.740 55.740 54.429 1.311 19302 5978 1 8 . 1 1 92 92 GLU CB C 92 29.433 29.433 32.104 -2.671 19302 5979 1 8 . 1 1 92 92 GLU H H 92 7.501 7.501 8.034 -0.533 19302 5980 1 8 . 1 1 93 93 LYS N N 93 132.415 132.415 127.117 5.298 19302 5981 1 8 . 1 1 93 93 LYS HA H 93 4.033 4.033 4.234 -0.201 19302 5982 1 8 . 1 1 93 93 LYS C C 93 173.582 173.582 176.077 -2.495 19302 5983 1 8 . 1 1 93 93 LYS CA C 93 55.460 55.460 56.375 -0.915 19302 5984 1 8 . 1 1 93 93 LYS CB C 93 33.506 33.506 32.884 0.622 19302 5985 1 8 . 1 1 93 93 LYS H H 93 9.015 9.015 8.647 0.368 19302 5986 1 8 . 1 1 94 94 THR N N 94 118.315 118.315 117.197 1.118 19302 5987 1 8 . 1 1 94 94 THR HA H 94 4.600 4.600 4.584 0.016 19302 5988 1 8 . 1 1 94 94 THR C C 94 174.933 174.933 174.520 0.413 19302 5989 1 8 . 1 1 94 94 THR CA C 94 58.678 58.678 62.294 -3.616 19302 5990 1 8 . 1 1 94 94 THR CB C 94 72.561 72.561 70.945 1.616 19302 5991 1 8 . 1 1 94 94 THR H H 94 8.288 8.288 8.858 -0.570 19302 5992 1 8 . 1 1 95 95 ARG N N 95 119.684 119.684 119.683 0.001 19302 5993 1 8 . 1 1 95 95 ARG HA H 95 3.960 3.960 4.638 -0.678 19302 5994 1 8 . 1 1 95 95 ARG C C 95 178.617 178.617 177.543 1.074 19302 5995 1 8 . 1 1 95 95 ARG CA C 95 59.240 59.240 57.260 1.980 19302 5996 1 8 . 1 1 95 95 ARG CB C 95 29.480 29.480 31.978 -2.498 19302 5997 1 8 . 1 1 95 95 ARG H H 95 8.719 8.719 8.107 0.612 19302 5998 1 8 . 1 1 96 96 MET N N 96 115.656 115.656 119.198 -3.542 19302 5999 1 8 . 1 1 96 96 MET HA H 96 4.332 4.332 4.359 -0.027 19302 6000 1 8 . 1 1 96 96 MET C C 96 177.312 177.312 177.096 0.216 19302 6001 1 8 . 1 1 96 96 MET CA C 96 56.615 56.615 56.297 0.318 19302 6002 1 8 . 1 1 96 96 MET CB C 96 32.723 32.723 32.244 0.479 19302 6003 1 8 . 1 1 96 96 MET H H 96 7.895 7.895 8.729 -0.834 19302 6004 1 8 . 1 1 97 97 SER N N 97 114.024 114.024 117.690 -3.666 19302 6005 1 8 . 1 1 97 97 SER HA H 97 4.648 4.648 4.195 0.453 19302 6006 1 8 . 1 1 97 97 SER C C 97 176.743 176.743 175.748 0.995 19302 6007 1 8 . 1 1 97 97 SER CA C 97 58.484 58.484 61.682 -3.198 19302 6008 1 8 . 1 1 97 97 SER CB C 97 65.103 65.103 62.290 2.813 19302 6009 1 8 . 1 1 97 97 SER H H 97 8.108 8.108 8.267 -0.159 19302 6010 1 8 . 1 1 98 98 GLU N N 98 124.701 124.701 121.413 3.288 19302 6011 1 8 . 1 1 98 98 GLU HA H 98 3.689 3.689 4.276 -0.587 19302 6012 1 8 . 1 1 98 98 GLU C C 98 178.994 178.994 178.413 0.581 19302 6013 1 8 . 1 1 98 98 GLU CA C 98 60.482 60.482 59.280 1.202 19302 6014 1 8 . 1 1 98 98 GLU CB C 98 29.096 29.096 28.853 0.243 19302 6015 1 8 . 1 1 98 98 GLU H H 98 8.229 8.229 8.784 -0.555 19302 6016 1 8 . 1 1 99 99 GLN N N 99 117.637 117.637 117.633 0.004 19302 6017 1 8 . 1 1 99 99 GLN HA H 99 4.008 4.008 4.195 -0.187 19302 6018 1 8 . 1 1 99 99 GLN C C 99 176.402 176.402 177.684 -1.282 19302 6019 1 8 . 1 1 99 99 GLN CA C 99 58.127 58.127 58.378 -0.251 19302 6020 1 8 . 1 1 99 99 GLN CB C 99 28.135 28.135 29.680 -1.545 19302 6021 1 8 . 1 1 99 99 GLN H H 99 8.464 8.464 7.881 0.583 19302 6022 1 8 . 1 1 100 100 TYR N N 100 118.538 118.538 117.319 1.219 19302 6023 1 8 . 1 1 100 100 TYR HA H 100 4.512 4.512 4.678 -0.166 19302 6024 1 8 . 1 1 100 100 TYR C C 100 176.132 176.132 176.038 0.094 19302 6025 1 8 . 1 1 100 100 TYR CA C 100 58.029 58.029 57.311 0.718 19302 6026 1 8 . 1 1 100 100 TYR CB C 100 39.600 39.600 40.078 -0.478 19302 6027 1 8 . 1 1 100 100 TYR H H 100 7.688 7.688 8.139 -0.451 19302 6028 1 8 . 1 1 101 101 PHE N N 101 121.713 121.713 122.727 -1.014 19302 6029 1 8 . 1 1 101 101 PHE HA H 101 4.098 4.098 4.376 -0.278 19302 6030 1 8 . 1 1 101 101 PHE C C 101 173.115 173.115 174.285 -1.170 19302 6031 1 8 . 1 1 101 101 PHE CA C 101 63.389 63.389 60.493 2.896 19302 6032 1 8 . 1 1 101 101 PHE CB C 101 37.438 37.438 36.455 0.983 19302 6033 1 8 . 1 1 101 101 PHE H H 101 7.916 7.916 9.306 -1.390 19302 6034 1 8 . 1 1 102 102 PRO HA H 102 4.078 4.078 3.603 0.475 19302 6035 1 8 . 1 1 102 102 PRO C C 102 179.371 179.371 178.020 1.351 19302 6036 1 8 . 1 1 102 102 PRO CA C 102 67.173 67.173 65.720 1.453 19302 6037 1 8 . 1 1 102 102 PRO CB C 102 30.497 30.497 30.473 0.024 19302 6038 1 8 . 1 1 103 103 ALA N N 103 119.259 119.259 119.325 -0.066 19302 6039 1 8 . 1 1 103 103 ALA HA H 103 4.043 4.043 3.904 0.139 19302 6040 1 8 . 1 1 103 103 ALA C C 103 180.693 180.693 179.783 0.910 19302 6041 1 8 . 1 1 103 103 ALA CA C 103 54.322 54.322 54.580 -0.258 19302 6042 1 8 . 1 1 103 103 ALA CB C 103 18.420 18.420 17.613 0.808 19302 6043 1 8 . 1 1 103 103 ALA H H 103 8.030 8.030 7.896 0.134 19302 6044 1 8 . 1 1 104 104 LEU N N 104 121.207 121.207 119.330 1.877 19302 6045 1 8 . 1 1 104 104 LEU HA H 104 4.164 4.164 3.990 0.174 19302 6046 1 8 . 1 1 104 104 LEU C C 104 179.295 179.295 178.479 0.816 19302 6047 1 8 . 1 1 104 104 LEU CA C 104 58.235 58.235 57.567 0.668 19302 6048 1 8 . 1 1 104 104 LEU CB C 104 41.154 41.154 42.053 -0.899 19302 6049 1 8 . 1 1 104 104 LEU H H 104 7.161 7.161 7.450 -0.289 19302 6050 1 8 . 1 1 105 105 GLN N N 105 123.941 123.941 119.168 4.773 19302 6051 1 8 . 1 1 105 105 GLN HA H 105 3.451 3.451 3.967 -0.516 19302 6052 1 8 . 1 1 105 105 GLN C C 105 176.984 176.984 178.597 -1.613 19302 6053 1 8 . 1 1 105 105 GLN CA C 105 59.986 59.986 59.279 0.707 19302 6054 1 8 . 1 1 105 105 GLN CB C 105 27.878 27.878 28.230 -0.352 19302 6055 1 8 . 1 1 105 105 GLN H H 105 8.836 8.836 7.831 1.005 19302 6056 1 8 . 1 1 106 106 LYS N N 106 119.943 119.943 120.187 -0.244 19302 6057 1 8 . 1 1 106 106 LYS HA H 106 3.752 3.752 4.036 -0.284 19302 6058 1 8 . 1 1 106 106 LYS C C 106 177.834 177.834 178.949 -1.115 19302 6059 1 8 . 1 1 106 106 LYS CA C 106 60.337 60.337 59.120 1.217 19302 6060 1 8 . 1 1 106 106 LYS CB C 106 32.380 32.380 32.160 0.220 19302 6061 1 8 . 1 1 106 106 LYS H H 106 7.692 7.692 7.902 -0.210 19302 6062 1 8 . 1 1 107 107 PHE N N 107 117.769 117.769 119.130 -1.361 19302 6063 1 8 . 1 1 107 107 PHE HA H 107 4.378 4.378 4.373 0.005 19302 6064 1 8 . 1 1 107 107 PHE C C 107 176.089 176.089 177.549 -1.460 19302 6065 1 8 . 1 1 107 107 PHE CA C 107 60.327 60.327 61.995 -1.668 19302 6066 1 8 . 1 1 107 107 PHE CB C 107 40.477 40.477 39.380 1.097 19302 6067 1 8 . 1 1 107 107 PHE H H 107 7.514 7.514 7.946 -0.432 19302 6068 1 8 . 1 1 108 108 THR N N 108 112.966 112.966 117.183 -4.217 19302 6069 1 8 . 1 1 108 108 THR HA H 108 3.196 3.196 3.911 -0.715 19302 6070 1 8 . 1 1 108 108 THR C C 108 174.656 174.656 176.556 -1.900 19302 6071 1 8 . 1 1 108 108 THR CA C 108 67.885 67.885 67.525 0.360 19302 6072 1 8 . 1 1 108 108 THR CB C 108 69.292 69.292 68.619 0.673 19302 6073 1 8 . 1 1 108 108 THR H H 108 8.541 8.541 9.049 -0.508 19302 6074 1 8 . 1 1 109 109 VAL N N 109 118.515 118.515 121.246 -2.731 19302 6075 1 8 . 1 1 109 109 VAL HA H 109 3.953 3.953 3.756 0.197 19302 6076 1 8 . 1 1 109 109 VAL C C 109 178.009 178.009 177.931 0.078 19302 6077 1 8 . 1 1 109 109 VAL CA C 109 65.110 65.110 66.648 -1.538 19302 6078 1 8 . 1 1 109 109 VAL CB C 109 32.327 32.327 31.615 0.712 19302 6079 1 8 . 1 1 109 109 VAL H H 109 8.065 8.065 7.489 0.576 19302 6080 1 8 . 1 1 110 110 LEU N N 110 118.627 118.627 119.785 -1.158 19302 6081 1 8 . 1 1 110 110 LEU HA H 110 4.157 4.157 3.932 0.225 19302 6082 1 8 . 1 1 110 110 LEU C C 110 178.351 178.351 178.234 0.117 19302 6083 1 8 . 1 1 110 110 LEU CA C 110 57.133 57.133 57.686 -0.553 19302 6084 1 8 . 1 1 110 110 LEU CB C 110 40.985 40.985 41.768 -0.783 19302 6085 1 8 . 1 1 110 110 LEU H H 110 7.224 7.224 7.446 -0.222 19302 6086 1 8 . 1 1 111 111 ASP N N 111 119.092 119.092 119.770 -0.678 19302 6087 1 8 . 1 1 111 111 ASP HA H 111 4.325 4.325 4.573 -0.248 19302 6088 1 8 . 1 1 111 111 ASP C C 111 178.644 178.644 177.493 1.151 19302 6089 1 8 . 1 1 111 111 ASP CA C 111 57.243 57.243 56.948 0.295 19302 6090 1 8 . 1 1 111 111 ASP CB C 111 39.330 39.330 41.913 -2.583 19302 6091 1 8 . 1 1 111 111 ASP H H 111 7.719 7.719 8.542 -0.823 19302 6092 1 8 . 1 1 112 112 LEU N N 112 114.990 114.990 117.068 -2.078 19302 6093 1 8 . 1 1 112 112 LEU HA H 112 4.044 4.044 4.562 -0.518 19302 6094 1 8 . 1 1 112 112 LEU C C 112 177.936 177.936 177.823 0.113 19302 6095 1 8 . 1 1 112 112 LEU CA C 112 55.507 55.507 54.957 0.550 19302 6096 1 8 . 1 1 112 112 LEU CB C 112 42.142 42.142 43.436 -1.294 19302 6097 1 8 . 1 1 112 112 LEU H H 112 7.306 7.306 8.182 -0.876 19302 6098 1 8 . 1 1 113 113 GLY N N 113 108.097 108.097 108.127 -0.030 19302 6099 1 8 . 1 1 113 113 GLY C C 113 175.161 175.161 174.404 0.757 19302 6100 1 8 . 1 1 113 113 GLY CA C 113 47.080 47.080 46.172 0.908 19302 6101 1 8 . 1 1 113 113 GLY H H 113 6.651 6.651 7.821 -1.169 19302 6102 1 8 . 1 1 114 114 MET N N 114 119.916 119.916 118.150 1.766 19302 6103 1 8 . 1 1 114 114 MET HA H 114 4.441 4.441 4.567 -0.126 19302 6104 1 8 . 1 1 114 114 MET C C 114 174.467 174.467 175.182 -0.715 19302 6105 1 8 . 1 1 114 114 MET CA C 114 55.303 55.303 54.348 0.955 19302 6106 1 8 . 1 1 114 114 MET CB C 114 35.820 35.820 35.680 0.140 19302 6107 1 8 . 1 1 114 114 MET H H 114 8.107 8.107 7.584 0.523 19302 6108 1 8 . 1 1 115 115 VAL N N 115 120.592 120.592 120.607 -0.015 19302 6109 1 8 . 1 1 115 115 VAL HA H 115 3.723 3.723 4.237 -0.514 19302 6110 1 8 . 1 1 115 115 VAL C C 115 173.084 173.084 174.106 -1.022 19302 6111 1 8 . 1 1 115 115 VAL CA C 115 62.921 62.921 61.799 1.122 19302 6112 1 8 . 1 1 115 115 VAL CB C 115 33.192 33.192 31.789 1.403 19302 6113 1 8 . 1 1 115 115 VAL H H 115 7.414 7.414 8.292 -0.878 19302 6114 1 8 . 1 1 116 116 LEU N N 116 128.303 128.303 129.776 -1.473 19302 6115 1 8 . 1 1 116 116 LEU HA H 116 5.176 5.176 5.289 -0.113 19302 6116 1 8 . 1 1 116 116 LEU C C 116 175.304 175.304 175.815 -0.511 19302 6117 1 8 . 1 1 116 116 LEU CA C 116 53.335 53.335 53.358 -0.023 19302 6118 1 8 . 1 1 116 116 LEU CB C 116 45.512 45.512 44.145 1.367 19302 6119 1 8 . 1 1 116 116 LEU H H 116 7.872 7.872 8.492 -0.620 19302 6120 1 8 . 1 1 117 117 LEU N N 117 129.470 129.470 128.331 1.139 19302 6121 1 8 . 1 1 117 117 LEU HA H 117 4.922 4.922 4.968 -0.046 19302 6122 1 8 . 1 1 117 117 LEU C C 117 173.512 173.512 174.529 -1.017 19302 6123 1 8 . 1 1 117 117 LEU CA C 117 51.061 51.061 51.532 -0.471 19302 6124 1 8 . 1 1 117 117 LEU CB C 117 43.824 43.824 45.633 -1.810 19302 6125 1 8 . 1 1 117 117 LEU H H 117 9.331 9.331 8.753 0.578 19302 6126 1 8 . 1 1 118 118 PRO HA H 118 5.167 5.167 4.915 0.252 19302 6127 1 8 . 1 1 118 118 PRO C C 118 176.784 176.784 175.801 0.983 19302 6128 1 8 . 1 1 118 118 PRO CA C 118 61.019 61.019 62.204 -1.185 19302 6129 1 8 . 1 1 118 118 PRO CB C 118 32.806 32.806 32.675 0.131 19302 6130 1 8 . 1 1 119 119 VAL N N 119 114.345 114.345 118.325 -3.980 19302 6131 1 8 . 1 1 119 119 VAL HA H 119 4.507 4.507 4.325 0.182 19302 6132 1 8 . 1 1 119 119 VAL C C 119 174.881 174.881 175.532 -0.651 19302 6133 1 8 . 1 1 119 119 VAL CA C 119 59.150 59.150 60.801 -1.651 19302 6134 1 8 . 1 1 119 119 VAL CB C 119 36.847 36.847 32.730 4.117 19302 6135 1 8 . 1 1 119 119 VAL H H 119 8.775 8.775 8.391 0.384 19302 6136 1 8 . 1 1 120 120 ALA N N 120 121.458 121.458 120.455 1.003 19302 6137 1 8 . 1 1 120 120 ALA HA H 120 4.335 4.335 4.319 0.016 19302 6138 1 8 . 1 1 120 120 ALA C C 120 177.637 177.637 175.772 1.865 19302 6139 1 8 . 1 1 120 120 ALA CA C 120 52.662 52.662 52.517 0.145 19302 6140 1 8 . 1 1 120 120 ALA CB C 120 19.817 19.817 19.241 0.576 19302 6141 1 8 . 1 1 120 120 ALA H H 120 8.740 8.740 8.224 0.516 19302 6142 1 8 . 1 1 121 121 SER N N 121 106.201 106.201 113.144 -6.943 19302 6143 1 8 . 1 1 121 121 SER HA H 121 4.523 4.523 4.805 -0.282 19302 6144 1 8 . 1 1 121 121 SER C C 121 173.940 173.940 174.502 -0.562 19302 6145 1 8 . 1 1 121 121 SER CA C 121 56.668 56.668 57.032 -0.364 19302 6146 1 8 . 1 1 121 121 SER CB C 121 66.057 66.057 65.216 0.841 19302 6147 1 8 . 1 1 121 121 SER H H 121 7.147 7.147 7.773 -0.626 19302 6148 1 8 . 1 1 122 122 GLN N N 122 120.942 120.942 121.000 -0.058 19302 6149 1 8 . 1 1 122 122 GLN HA H 122 4.063 4.063 4.349 -0.286 19302 6150 1 8 . 1 1 122 122 GLN C C 122 178.350 178.350 178.049 0.301 19302 6151 1 8 . 1 1 122 122 GLN CA C 122 59.436 59.436 58.923 0.513 19302 6152 1 8 . 1 1 122 122 GLN CB C 122 29.018 29.018 28.962 0.056 19302 6153 1 8 . 1 1 122 122 GLN H H 122 9.055 9.055 8.895 0.160 19302 6154 1 8 . 1 1 123 123 MET N N 123 118.978 118.978 117.232 1.746 19302 6155 1 8 . 1 1 123 123 MET HA H 123 3.947 3.947 4.084 -0.137 19302 6156 1 8 . 1 1 123 123 MET C C 123 179.161 179.161 178.045 1.116 19302 6157 1 8 . 1 1 123 123 MET CA C 123 58.802 58.802 59.619 -0.817 19302 6158 1 8 . 1 1 123 123 MET CB C 123 31.305 31.305 32.179 -0.874 19302 6159 1 8 . 1 1 123 123 MET H H 123 7.950 7.950 8.235 -0.285 19302 6160 1 8 . 1 1 124 124 GLU N N 124 121.747 121.747 119.580 2.167 19302 6161 1 8 . 1 1 124 124 GLU HA H 124 3.897 3.897 3.934 -0.037 19302 6162 1 8 . 1 1 124 124 GLU C C 124 179.272 179.272 178.675 0.597 19302 6163 1 8 . 1 1 124 124 GLU CA C 124 59.686 59.686 59.678 0.008 19302 6164 1 8 . 1 1 124 124 GLU CB C 124 29.943 29.943 29.031 0.912 19302 6165 1 8 . 1 1 124 124 GLU H H 124 7.729 7.729 8.154 -0.425 19302 6166 1 8 . 1 1 125 125 ALA N N 125 121.208 121.208 121.574 -0.366 19302 6167 1 8 . 1 1 125 125 ALA HA H 125 3.827 3.827 4.021 -0.194 19302 6168 1 8 . 1 1 125 125 ALA C C 125 178.068 178.068 179.861 -1.793 19302 6169 1 8 . 1 1 125 125 ALA CA C 125 54.330 54.330 55.360 -1.030 19302 6170 1 8 . 1 1 125 125 ALA CB C 125 19.232 19.232 18.259 0.973 19302 6171 1 8 . 1 1 125 125 ALA H H 125 8.083 8.083 7.691 0.392 19302 6172 1 8 . 1 1 126 126 SER N N 126 114.095 114.095 114.929 -0.834 19302 6173 1 8 . 1 1 126 126 SER HA H 126 3.527 3.527 4.021 -0.494 19302 6174 1 8 . 1 1 126 126 SER C C 126 175.129 175.129 176.447 -1.318 19302 6175 1 8 . 1 1 126 126 SER CA C 126 62.161 62.161 62.972 -0.811 19302 6176 1 8 . 1 1 126 126 SER CB C 126 69.705 69.705 62.769 6.936 19302 6177 1 8 . 1 1 126 126 SER H H 126 7.975 7.975 7.912 0.063 19302 6178 1 8 . 1 1 127 127 CYS N N 127 119.210 119.210 119.894 -0.684 19302 6179 1 8 . 1 1 127 127 CYS HA H 127 3.819 3.819 4.356 -0.537 19302 6180 1 8 . 1 1 127 127 CYS C C 127 177.016 177.016 176.312 0.704 19302 6181 1 8 . 1 1 127 127 CYS CA C 127 62.351 62.351 61.449 0.902 19302 6182 1 8 . 1 1 127 127 CYS CB C 127 26.714 26.714 26.748 -0.034 19302 6183 1 8 . 1 1 127 127 CYS H H 127 6.869 6.869 8.332 -1.463 19302 6184 1 8 . 1 1 128 128 LEU N N 128 122.342 122.342 122.274 0.068 19302 6185 1 8 . 1 1 128 128 LEU HA H 128 3.947 3.947 4.073 -0.126 19302 6186 1 8 . 1 1 128 128 LEU C C 128 178.010 178.010 178.944 -0.934 19302 6187 1 8 . 1 1 128 128 LEU CA C 128 57.860 57.860 57.852 0.008 19302 6188 1 8 . 1 1 128 128 LEU CB C 128 41.951 41.951 42.010 -0.059 19302 6189 1 8 . 1 1 128 128 LEU H H 128 7.527 7.527 8.561 -1.034 19302 6190 1 8 . 1 1 129 129 VAL N N 129 119.021 119.021 119.567 -0.546 19302 6191 1 8 . 1 1 129 129 VAL HA H 129 3.035 3.035 3.706 -0.671 19302 6192 1 8 . 1 1 129 129 VAL C C 129 177.035 177.035 177.553 -0.518 19302 6193 1 8 . 1 1 129 129 VAL CA C 129 67.656 67.656 66.548 1.108 19302 6194 1 8 . 1 1 129 129 VAL CB C 129 30.898 30.898 31.679 -0.781 19302 6195 1 8 . 1 1 129 129 VAL H H 129 8.360 8.360 8.728 -0.368 19302 6196 1 8 . 1 1 130 130 ILE N N 130 117.913 117.913 119.844 -1.931 19302 6197 1 8 . 1 1 130 130 ILE HA H 130 3.292 3.292 3.520 -0.228 19302 6198 1 8 . 1 1 130 130 ILE C C 130 177.834 177.834 177.463 0.371 19302 6199 1 8 . 1 1 130 130 ILE CA C 130 64.592 64.592 65.398 -0.806 19302 6200 1 8 . 1 1 130 130 ILE CB C 130 36.970 36.970 37.850 -0.880 19302 6201 1 8 . 1 1 130 130 ILE H H 130 7.331 7.331 7.368 -0.037 19302 6202 1 8 . 1 1 131 131 GLN N N 131 120.359 120.359 119.362 0.997 19302 6203 1 8 . 1 1 131 131 GLN HA H 131 3.846 3.846 3.923 -0.077 19302 6204 1 8 . 1 1 131 131 GLN C C 131 178.708 178.708 177.888 0.820 19302 6205 1 8 . 1 1 131 131 GLN CA C 131 59.310 59.310 59.121 0.189 19302 6206 1 8 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.418 -0.316 19302 6207 1 8 . 1 1 131 131 GLN H H 131 7.505 7.505 7.865 -0.360 19302 6208 1 8 . 1 1 132 132 LEU N N 132 120.310 120.310 119.370 0.940 19302 6209 1 8 . 1 1 132 132 LEU HA H 132 3.848 3.848 4.077 -0.229 19302 6210 1 8 . 1 1 132 132 LEU C C 132 179.854 179.854 179.131 0.723 19302 6211 1 8 . 1 1 132 132 LEU CA C 132 57.975 57.975 57.926 0.049 19302 6212 1 8 . 1 1 132 132 LEU CB C 132 41.902 41.902 41.214 0.688 19302 6213 1 8 . 1 1 132 132 LEU H H 132 8.270 8.270 7.608 0.662 19302 6214 1 8 . 1 1 133 133 VAL N N 133 120.909 120.909 118.438 2.471 19302 6215 1 8 . 1 1 133 133 VAL HA H 133 4.004 4.004 3.565 0.439 19302 6216 1 8 . 1 1 133 133 VAL C C 133 178.791 178.791 178.035 0.756 19302 6217 1 8 . 1 1 133 133 VAL CA C 133 58.026 58.026 66.572 -8.546 19302 6218 1 8 . 1 1 133 133 VAL CB C 133 32.475 32.475 31.481 0.994 19302 6219 1 8 . 1 1 133 133 VAL H H 133 8.162 8.162 7.433 0.729 19302 6220 1 8 . 1 1 134 134 GLN N N 134 120.073 120.073 120.228 -0.155 19302 6221 1 8 . 1 1 134 134 GLN HA H 134 3.943 3.943 3.924 0.019 19302 6222 1 8 . 1 1 134 134 GLN C C 134 178.374 178.374 178.404 -0.030 19302 6223 1 8 . 1 1 134 134 GLN CA C 134 57.164 57.164 59.617 -2.453 19302 6224 1 8 . 1 1 134 134 GLN CB C 134 29.632 29.632 28.622 1.010 19302 6225 1 8 . 1 1 134 134 GLN H H 134 7.837 7.837 8.047 -0.210 19302 6226 1 8 . 1 1 135 135 GLU N N 135 118.639 118.639 118.295 0.344 19302 6227 1 8 . 1 1 135 135 GLU HA H 135 3.902 3.902 3.939 -0.037 19302 6228 1 8 . 1 1 135 135 GLU C C 135 177.986 177.986 178.130 -0.144 19302 6229 1 8 . 1 1 135 135 GLU CA C 135 58.266 58.266 58.856 -0.590 19302 6230 1 8 . 1 1 135 135 GLU CB C 135 29.593 29.593 29.673 -0.080 19302 6231 1 8 . 1 1 135 135 GLU H H 135 7.989 7.989 8.152 -0.163 19302 6232 1 8 . 1 1 136 136 GLN N N 136 118.352 118.352 116.924 1.428 19302 6233 1 8 . 1 1 136 136 GLN HA H 136 3.994 3.994 4.044 -0.050 19302 6234 1 8 . 1 1 136 136 GLN C C 136 176.807 176.807 178.725 -1.918 19302 6235 1 8 . 1 1 136 136 GLN CA C 136 56.762 56.762 58.158 -1.396 19302 6236 1 8 . 1 1 136 136 GLN CB C 136 28.835 28.835 28.991 -0.155 19302 6237 1 8 . 1 1 136 136 GLN H H 136 7.845 7.845 7.449 0.396 19302 6238 1 8 . 1 1 137 137 THR N N 137 113.953 113.953 112.094 1.859 19302 6239 1 8 . 1 1 137 137 THR HA H 137 4.163 4.163 3.968 0.195 19302 6240 1 8 . 1 1 137 137 THR C C 137 174.267 174.267 175.622 -1.355 19302 6241 1 8 . 1 1 137 137 THR CA C 137 64.611 64.611 64.393 0.218 19302 6242 1 8 . 1 1 137 137 THR CB C 137 69.280 69.280 69.235 0.045 19302 6243 1 8 . 1 1 137 137 THR H H 137 7.847 7.847 7.997 -0.150 19302 6244 1 8 . 1 1 138 138 LYS N N 138 122.289 122.289 117.835 4.454 19302 6245 1 8 . 1 1 138 138 LYS C C 138 176.119 176.119 174.469 1.650 19302 6246 1 8 . 1 1 138 138 LYS CA C 138 56.329 56.329 55.092 1.237 19302 6247 1 8 . 1 1 138 138 LYS CB C 138 32.891 32.891 34.265 -1.374 19302 6248 1 8 . 1 1 138 138 LYS H H 138 7.607 7.607 7.730 -0.123 19302 6249 1 9 . 1 1 2 2 GLU N N 2 123.078 123.078 120.973 2.105 19302 6250 1 9 . 1 1 2 2 GLU HA H 2 4.160 4.160 4.098 0.062 19302 6251 1 9 . 1 1 2 2 GLU C C 2 175.765 175.765 175.477 0.288 19302 6252 1 9 . 1 1 2 2 GLU CA C 2 56.353 56.353 56.754 -0.401 19302 6253 1 9 . 1 1 2 2 GLU CB C 2 30.041 30.041 28.478 1.563 19302 6254 1 9 . 1 1 2 2 GLU H H 2 8.313 8.313 8.486 -0.173 19302 6255 1 9 . 1 1 3 3 LYS N N 3 124.091 124.091 122.288 1.803 19302 6256 1 9 . 1 1 3 3 LYS HA H 3 4.013 4.013 4.360 -0.347 19302 6257 1 9 . 1 1 3 3 LYS C C 3 174.713 174.713 176.386 -1.673 19302 6258 1 9 . 1 1 3 3 LYS CA C 3 56.240 56.240 55.964 0.276 19302 6259 1 9 . 1 1 3 3 LYS CB C 3 33.400 33.400 33.438 -0.038 19302 6260 1 9 . 1 1 3 3 LYS H H 3 8.243 8.243 8.066 0.177 19302 6261 1 9 . 1 1 4 4 ASN N N 4 121.184 121.184 123.113 -1.929 19302 6262 1 9 . 1 1 4 4 ASN C C 4 172.940 172.940 173.276 -0.336 19302 6263 1 9 . 1 1 4 4 ASN CA C 4 50.404 50.404 50.903 -0.499 19302 6264 1 9 . 1 1 4 4 ASN CB C 4 41.212 41.212 37.775 3.437 19302 6265 1 9 . 1 1 4 4 ASN H H 4 8.086 8.086 8.575 -0.489 19302 6266 1 9 . 1 1 6 6 PRO HA H 6 4.222 4.222 4.357 -0.135 19302 6267 1 9 . 1 1 6 6 PRO C C 6 176.390 176.390 176.012 0.378 19302 6268 1 9 . 1 1 6 6 PRO CA C 6 63.267 63.267 63.932 -0.665 19302 6269 1 9 . 1 1 6 6 PRO CB C 6 32.008 32.008 31.846 0.162 19302 6270 1 9 . 1 1 7 7 ASP N N 7 120.412 120.412 122.038 -1.626 19302 6271 1 9 . 1 1 7 7 ASP HA H 7 4.402 4.402 4.596 -0.194 19302 6272 1 9 . 1 1 7 7 ASP C C 7 175.911 175.911 174.872 1.039 19302 6273 1 9 . 1 1 7 7 ASP CA C 7 54.248 54.248 53.127 1.121 19302 6274 1 9 . 1 1 7 7 ASP CB C 7 41.210 41.210 40.284 0.926 19302 6275 1 9 . 1 1 7 7 ASP H H 7 8.175 8.175 7.883 0.292 19302 6276 1 9 . 1 1 8 8 ASP N N 8 121.448 121.448 117.846 3.602 19302 6277 1 9 . 1 1 8 8 ASP HA H 8 4.554 4.554 4.244 0.310 19302 6278 1 9 . 1 1 8 8 ASP C C 8 176.334 176.334 176.089 0.245 19302 6279 1 9 . 1 1 8 8 ASP CA C 8 54.240 54.240 55.128 -0.888 19302 6280 1 9 . 1 1 8 8 ASP CB C 8 41.354 41.354 39.769 1.585 19302 6281 1 9 . 1 1 8 8 ASP H H 8 8.080 8.080 8.676 -0.596 19302 6282 1 9 . 1 1 9 9 THR N N 9 114.376 114.376 112.497 1.879 19302 6283 1 9 . 1 1 9 9 THR HA H 9 4.170 4.170 4.024 0.146 19302 6284 1 9 . 1 1 9 9 THR C C 9 174.565 174.565 175.245 -0.680 19302 6285 1 9 . 1 1 9 9 THR CA C 9 62.018 62.018 64.016 -1.998 19302 6286 1 9 . 1 1 9 9 THR CB C 9 69.655 69.655 69.216 0.439 19302 6287 1 9 . 1 1 9 9 THR H H 9 7.982 7.982 8.229 -0.247 19302 6288 1 9 . 1 1 10 10 GLY N N 10 111.726 111.726 108.659 3.067 19302 6289 1 9 . 1 1 10 10 GLY C C 10 171.287 171.287 172.472 -1.185 19302 6290 1 9 . 1 1 10 10 GLY CA C 10 44.627 44.627 44.715 -0.088 19302 6291 1 9 . 1 1 10 10 GLY H H 10 8.051 8.051 7.869 0.182 19302 6292 1 9 . 1 1 11 11 PRO HA H 11 4.298 4.298 4.635 -0.337 19302 6293 1 9 . 1 1 11 11 PRO C C 11 176.417 176.417 176.044 0.373 19302 6294 1 9 . 1 1 11 11 PRO CA C 11 63.173 63.173 62.360 0.813 19302 6295 1 9 . 1 1 11 11 PRO CB C 11 32.419 32.419 30.850 1.569 19302 6296 1 9 . 1 1 12 12 VAL N N 12 120.990 120.990 121.221 -0.231 19302 6297 1 9 . 1 1 12 12 VAL HA H 12 3.757 3.757 4.368 -0.611 19302 6298 1 9 . 1 1 12 12 VAL C C 12 174.604 174.604 175.714 -1.110 19302 6299 1 9 . 1 1 12 12 VAL CA C 12 61.747 61.747 61.303 0.444 19302 6300 1 9 . 1 1 12 12 VAL CB C 12 33.506 33.506 34.002 -0.496 19302 6301 1 9 . 1 1 12 12 VAL H H 12 7.667 7.667 7.680 -0.013 19302 6302 1 9 . 1 1 13 13 HIS N N 13 123.020 123.020 122.857 0.163 19302 6303 1 9 . 1 1 13 13 HIS HA H 13 4.387 4.387 4.794 -0.407 19302 6304 1 9 . 1 1 13 13 HIS C C 13 173.601 173.601 174.259 -0.658 19302 6305 1 9 . 1 1 13 13 HIS CA C 13 55.731 55.731 54.446 1.285 19302 6306 1 9 . 1 1 13 13 HIS CB C 13 30.039 30.039 30.268 -0.229 19302 6307 1 9 . 1 1 13 13 HIS H H 13 8.088 8.088 7.790 0.298 19302 6308 1 9 . 1 1 14 14 VAL N N 14 126.633 126.633 116.372 10.261 19302 6309 1 9 . 1 1 14 14 VAL HA H 14 3.941 3.941 4.543 -0.602 19302 6310 1 9 . 1 1 14 14 VAL C C 14 173.591 173.591 174.141 -0.550 19302 6311 1 9 . 1 1 14 14 VAL CA C 14 59.095 59.095 59.053 0.042 19302 6312 1 9 . 1 1 14 14 VAL CB C 14 32.976 32.976 32.845 0.131 19302 6313 1 9 . 1 1 14 14 VAL H H 14 8.128 8.128 8.334 -0.206 19302 6314 1 9 . 1 1 15 15 PRO HA H 15 4.042 4.042 4.660 -0.618 19302 6315 1 9 . 1 1 15 15 PRO C C 15 175.581 175.581 176.132 -0.551 19302 6316 1 9 . 1 1 15 15 PRO CA C 15 62.314 62.314 63.169 -0.855 19302 6317 1 9 . 1 1 15 15 PRO CB C 15 31.352 31.352 32.187 -0.835 19302 6318 1 9 . 1 1 16 16 LEU N N 16 122.170 122.170 113.902 8.268 19302 6319 1 9 . 1 1 16 16 LEU HA H 16 4.073 4.073 4.653 -0.580 19302 6320 1 9 . 1 1 16 16 LEU C C 16 180.683 180.683 176.510 4.173 19302 6321 1 9 . 1 1 16 16 LEU CA C 16 56.442 56.442 54.425 2.017 19302 6322 1 9 . 1 1 16 16 LEU CB C 16 41.855 41.855 43.082 -1.227 19302 6323 1 9 . 1 1 16 16 LEU H H 16 8.070 8.070 7.162 0.908 19302 6324 1 9 . 1 1 17 17 GLY N N 17 114.931 114.931 109.427 5.504 19302 6325 1 9 . 1 1 17 17 GLY C C 17 173.075 173.075 173.854 -0.779 19302 6326 1 9 . 1 1 17 17 GLY CA C 17 45.757 45.757 44.725 1.032 19302 6327 1 9 . 1 1 17 17 GLY H H 17 9.325 9.325 8.457 0.868 19302 6328 1 9 . 1 1 18 18 HIS N N 18 117.638 117.638 121.216 -3.578 19302 6329 1 9 . 1 1 18 18 HIS HA H 18 5.386 5.386 4.896 0.490 19302 6330 1 9 . 1 1 18 18 HIS C C 18 173.186 173.186 174.239 -1.053 19302 6331 1 9 . 1 1 18 18 HIS CA C 18 54.007 54.007 55.092 -1.085 19302 6332 1 9 . 1 1 18 18 HIS CB C 18 31.691 31.691 31.127 0.564 19302 6333 1 9 . 1 1 18 18 HIS H H 18 7.803 7.803 8.027 -0.224 19302 6334 1 9 . 1 1 19 19 ILE N N 19 114.669 114.669 119.811 -5.142 19302 6335 1 9 . 1 1 19 19 ILE HA H 19 4.372 4.372 4.306 0.066 19302 6336 1 9 . 1 1 19 19 ILE C C 19 174.449 174.449 175.067 -0.618 19302 6337 1 9 . 1 1 19 19 ILE CA C 19 60.368 60.368 60.473 -0.105 19302 6338 1 9 . 1 1 19 19 ILE CB C 19 42.044 42.044 41.133 0.911 19302 6339 1 9 . 1 1 19 19 ILE H H 19 8.059 8.059 8.137 -0.078 19302 6340 1 9 . 1 1 20 20 VAL N N 20 124.211 124.211 123.267 0.944 19302 6341 1 9 . 1 1 20 20 VAL HA H 20 4.730 4.730 4.432 0.298 19302 6342 1 9 . 1 1 20 20 VAL C C 20 174.104 174.104 174.645 -0.541 19302 6343 1 9 . 1 1 20 20 VAL CA C 20 61.322 61.322 61.581 -0.259 19302 6344 1 9 . 1 1 20 20 VAL CB C 20 33.255 33.255 32.928 0.327 19302 6345 1 9 . 1 1 20 20 VAL H H 20 7.525 7.525 8.228 -0.703 19302 6346 1 9 . 1 1 21 21 ALA N N 21 131.125 131.125 125.435 5.690 19302 6347 1 9 . 1 1 21 21 ALA HA H 21 5.095 5.095 5.325 -0.230 19302 6348 1 9 . 1 1 21 21 ALA C C 21 175.389 175.389 175.567 -0.178 19302 6349 1 9 . 1 1 21 21 ALA CA C 21 49.175 49.175 49.649 -0.474 19302 6350 1 9 . 1 1 21 21 ALA CB C 21 24.297 24.297 23.108 1.189 19302 6351 1 9 . 1 1 21 21 ALA H H 21 9.395 9.395 8.748 0.647 19302 6352 1 9 . 1 1 22 22 ASN N N 22 120.999 120.999 117.525 3.474 19302 6353 1 9 . 1 1 22 22 ASN HA H 22 4.805 4.805 5.213 -0.408 19302 6354 1 9 . 1 1 22 22 ASN C C 22 176.336 176.336 176.288 0.048 19302 6355 1 9 . 1 1 22 22 ASN CA C 22 54.289 54.289 51.513 2.776 19302 6356 1 9 . 1 1 22 22 ASN CB C 22 39.822 39.822 40.637 -0.815 19302 6357 1 9 . 1 1 22 22 ASN H H 22 8.345 8.345 8.307 0.038 19302 6358 1 9 . 1 1 23 23 GLU N N 23 128.726 128.726 126.924 1.802 19302 6359 1 9 . 1 1 23 23 GLU HA H 23 3.927 3.927 4.142 -0.215 19302 6360 1 9 . 1 1 23 23 GLU C C 23 176.348 176.348 177.828 -1.480 19302 6361 1 9 . 1 1 23 23 GLU CA C 23 59.171 59.171 59.432 -0.261 19302 6362 1 9 . 1 1 23 23 GLU CB C 23 30.365 30.365 29.802 0.563 19302 6363 1 9 . 1 1 23 23 GLU H H 23 7.951 7.951 8.451 -0.500 19302 6364 1 9 . 1 1 24 24 LYS N N 24 119.166 119.166 119.381 -0.215 19302 6365 1 9 . 1 1 24 24 LYS HA H 24 3.895 3.895 4.221 -0.326 19302 6366 1 9 . 1 1 24 24 LYS C C 24 176.782 176.782 177.864 -1.082 19302 6367 1 9 . 1 1 24 24 LYS CA C 24 58.379 58.379 59.064 -0.685 19302 6368 1 9 . 1 1 24 24 LYS CB C 24 30.846 30.846 32.308 -1.462 19302 6369 1 9 . 1 1 24 24 LYS H H 24 8.583 8.583 8.508 0.075 19302 6370 1 9 . 1 1 25 25 TRP N N 25 118.053 118.053 119.691 -1.638 19302 6371 1 9 . 1 1 25 25 TRP HA H 25 4.326 4.326 4.466 -0.140 19302 6372 1 9 . 1 1 25 25 TRP C C 25 177.280 177.280 176.621 0.659 19302 6373 1 9 . 1 1 25 25 TRP CA C 25 56.722 56.722 58.302 -1.580 19302 6374 1 9 . 1 1 25 25 TRP CB C 25 29.506 29.506 28.965 0.541 19302 6375 1 9 . 1 1 25 25 TRP H H 25 8.169 8.169 8.438 -0.269 19302 6376 1 9 . 1 1 26 26 ARG N N 26 127.838 127.838 119.041 8.797 19302 6377 1 9 . 1 1 26 26 ARG HA H 26 3.302 3.302 4.273 -0.971 19302 6378 1 9 . 1 1 26 26 ARG C C 26 177.506 177.506 176.348 1.158 19302 6379 1 9 . 1 1 26 26 ARG CA C 26 59.147 59.147 56.859 2.288 19302 6380 1 9 . 1 1 26 26 ARG CB C 26 29.305 29.305 29.682 -0.377 19302 6381 1 9 . 1 1 26 26 ARG H H 26 7.879 7.879 7.427 0.452 19302 6382 1 9 . 1 1 27 27 GLY N N 27 116.455 116.455 108.117 8.338 19302 6383 1 9 . 1 1 27 27 GLY C C 27 174.037 174.037 174.003 0.034 19302 6384 1 9 . 1 1 27 27 GLY CA C 27 45.513 45.513 44.641 0.872 19302 6385 1 9 . 1 1 27 27 GLY H H 27 8.968 8.968 7.522 1.446 19302 6386 1 9 . 1 1 28 28 SER N N 28 115.316 115.316 114.866 0.450 19302 6387 1 9 . 1 1 28 28 SER HA H 28 4.357 4.357 4.460 -0.103 19302 6388 1 9 . 1 1 28 28 SER C C 28 174.705 174.705 174.935 -0.230 19302 6389 1 9 . 1 1 28 28 SER CA C 28 58.055 58.055 56.462 1.593 19302 6390 1 9 . 1 1 28 28 SER CB C 28 65.852 65.852 64.810 1.042 19302 6391 1 9 . 1 1 28 28 SER H H 28 7.718 7.718 7.177 0.541 19302 6392 1 9 . 1 1 29 29 GLN N N 29 124.252 124.252 121.811 2.441 19302 6393 1 9 . 1 1 29 29 GLN HA H 29 3.940 3.940 4.125 -0.185 19302 6394 1 9 . 1 1 29 29 GLN C C 29 178.221 178.221 177.924 0.297 19302 6395 1 9 . 1 1 29 29 GLN CA C 29 59.678 59.678 57.947 1.731 19302 6396 1 9 . 1 1 29 29 GLN CB C 29 27.932 27.932 28.309 -0.377 19302 6397 1 9 . 1 1 29 29 GLN H H 29 8.987 8.987 8.713 0.274 19302 6398 1 9 . 1 1 30 30 LEU N N 30 119.516 119.516 122.098 -2.582 19302 6399 1 9 . 1 1 30 30 LEU HA H 30 3.649 3.649 3.974 -0.325 19302 6400 1 9 . 1 1 30 30 LEU C C 30 177.674 177.674 178.669 -0.995 19302 6401 1 9 . 1 1 30 30 LEU CA C 30 59.240 59.240 57.893 1.347 19302 6402 1 9 . 1 1 30 30 LEU CB C 30 42.377 42.377 40.918 1.459 19302 6403 1 9 . 1 1 30 30 LEU H H 30 8.469 8.469 7.928 0.541 19302 6404 1 9 . 1 1 31 31 ALA N N 31 118.887 118.887 118.780 0.107 19302 6405 1 9 . 1 1 31 31 ALA HA H 31 3.787 3.787 4.086 -0.299 19302 6406 1 9 . 1 1 31 31 ALA C C 31 179.914 179.914 179.935 -0.021 19302 6407 1 9 . 1 1 31 31 ALA CA C 31 55.346 55.346 55.048 0.298 19302 6408 1 9 . 1 1 31 31 ALA CB C 31 18.725 18.725 18.236 0.489 19302 6409 1 9 . 1 1 31 31 ALA H H 31 7.965 7.965 8.545 -0.580 19302 6410 1 9 . 1 1 32 32 GLN N N 32 119.187 119.187 118.311 0.876 19302 6411 1 9 . 1 1 32 32 GLN HA H 32 3.874 3.874 4.115 -0.241 19302 6412 1 9 . 1 1 32 32 GLN C C 32 179.160 179.160 178.818 0.342 19302 6413 1 9 . 1 1 32 32 GLN CA C 32 59.072 59.072 58.683 0.389 19302 6414 1 9 . 1 1 32 32 GLN CB C 32 28.676 28.676 28.663 0.013 19302 6415 1 9 . 1 1 32 32 GLN H H 32 8.292 8.292 7.878 0.414 19302 6416 1 9 . 1 1 33 33 GLU N N 33 117.845 117.845 120.435 -2.590 19302 6417 1 9 . 1 1 33 33 GLU HA H 33 3.932 3.932 3.945 -0.013 19302 6418 1 9 . 1 1 33 33 GLU C C 33 178.487 178.487 179.226 -0.739 19302 6419 1 9 . 1 1 33 33 GLU CA C 33 57.948 57.948 59.173 -1.225 19302 6420 1 9 . 1 1 33 33 GLU CB C 33 29.221 29.221 29.517 -0.296 19302 6421 1 9 . 1 1 33 33 GLU H H 33 8.157 8.157 8.392 -0.235 19302 6422 1 9 . 1 1 34 34 MET N N 34 116.546 116.546 118.855 -2.309 19302 6423 1 9 . 1 1 34 34 MET HA H 34 3.911 3.911 3.961 -0.050 19302 6424 1 9 . 1 1 34 34 MET C C 34 176.992 176.992 178.044 -1.052 19302 6425 1 9 . 1 1 34 34 MET CA C 34 58.485 58.485 59.800 -1.315 19302 6426 1 9 . 1 1 34 34 MET CB C 34 34.045 34.045 32.579 1.466 19302 6427 1 9 . 1 1 34 34 MET H H 34 7.452 7.452 8.756 -1.304 19302 6428 1 9 . 1 1 35 35 GLN N N 35 118.259 118.259 116.793 1.466 19302 6429 1 9 . 1 1 35 35 GLN HA H 35 4.219 4.219 4.520 -0.301 19302 6430 1 9 . 1 1 35 35 GLN C C 35 176.544 176.544 177.954 -1.410 19302 6431 1 9 . 1 1 35 35 GLN CA C 35 58.039 58.039 57.454 0.585 19302 6432 1 9 . 1 1 35 35 GLN CB C 35 28.381 28.381 27.907 0.474 19302 6433 1 9 . 1 1 35 35 GLN H H 35 7.605 7.605 7.906 -0.301 19302 6434 1 9 . 1 1 36 36 GLY N N 36 110.354 110.354 107.942 2.412 19302 6435 1 9 . 1 1 36 36 GLY C C 36 174.291 174.291 174.978 -0.687 19302 6436 1 9 . 1 1 36 36 GLY CA C 36 45.517 45.517 45.914 -0.397 19302 6437 1 9 . 1 1 36 36 GLY H H 36 8.178 8.178 8.613 -0.435 19302 6438 1 9 . 1 1 37 37 LYS N N 37 119.406 119.406 118.518 0.888 19302 6439 1 9 . 1 1 37 37 LYS HA H 37 4.254 4.254 4.528 -0.274 19302 6440 1 9 . 1 1 37 37 LYS C C 37 175.387 175.387 176.516 -1.129 19302 6441 1 9 . 1 1 37 37 LYS CA C 37 57.173 57.173 56.509 0.664 19302 6442 1 9 . 1 1 37 37 LYS CB C 37 35.261 35.261 35.109 0.152 19302 6443 1 9 . 1 1 37 37 LYS H H 37 7.837 7.837 7.731 0.106 19302 6444 1 9 . 1 1 38 38 ILE N N 38 118.201 118.201 120.293 -2.092 19302 6445 1 9 . 1 1 38 38 ILE HA H 38 4.138 4.138 4.343 -0.205 19302 6446 1 9 . 1 1 38 38 ILE C C 38 172.937 172.937 173.995 -1.058 19302 6447 1 9 . 1 1 38 38 ILE CA C 38 59.055 59.055 59.139 -0.084 19302 6448 1 9 . 1 1 38 38 ILE CB C 38 41.631 41.631 40.627 1.004 19302 6449 1 9 . 1 1 38 38 ILE H H 38 7.821 7.821 7.602 0.219 19302 6450 1 9 . 1 1 39 39 LYS N N 39 122.826 122.826 122.387 0.439 19302 6451 1 9 . 1 1 39 39 LYS HA H 39 4.187 4.187 4.297 -0.110 19302 6452 1 9 . 1 1 39 39 LYS C C 39 174.751 174.751 175.018 -0.267 19302 6453 1 9 . 1 1 39 39 LYS CA C 39 55.865 55.865 56.219 -0.354 19302 6454 1 9 . 1 1 39 39 LYS CB C 39 33.007 33.007 33.457 -0.450 19302 6455 1 9 . 1 1 39 39 LYS H H 39 7.126 7.126 8.581 -1.455 19302 6456 1 9 . 1 1 40 40 LEU N N 40 124.298 124.298 125.430 -1.132 19302 6457 1 9 . 1 1 40 40 LEU HA H 40 4.667 4.667 5.024 -0.357 19302 6458 1 9 . 1 1 40 40 LEU C C 40 176.473 176.473 175.346 1.127 19302 6459 1 9 . 1 1 40 40 LEU CA C 40 54.607 54.607 53.618 0.989 19302 6460 1 9 . 1 1 40 40 LEU CB C 40 44.102 44.102 45.484 -1.382 19302 6461 1 9 . 1 1 40 40 LEU H H 40 8.102 8.102 8.130 -0.028 19302 6462 1 9 . 1 1 41 41 ILE N N 41 124.128 124.128 123.506 0.622 19302 6463 1 9 . 1 1 41 41 ILE HA H 41 4.092 4.092 4.225 -0.133 19302 6464 1 9 . 1 1 41 41 ILE C C 41 174.360 174.360 174.149 0.211 19302 6465 1 9 . 1 1 41 41 ILE CA C 41 60.208 60.208 59.776 0.432 19302 6466 1 9 . 1 1 41 41 ILE CB C 41 40.867 40.867 41.447 -0.580 19302 6467 1 9 . 1 1 41 41 ILE H H 41 8.208 8.208 8.913 -0.705 19302 6468 1 9 . 1 1 42 42 PHE N N 42 125.226 125.226 122.021 3.205 19302 6469 1 9 . 1 1 42 42 PHE HA H 42 5.501 5.501 5.080 0.421 19302 6470 1 9 . 1 1 42 42 PHE C C 42 176.313 176.313 175.432 0.881 19302 6471 1 9 . 1 1 42 42 PHE CA C 42 57.720 57.720 56.618 1.101 19302 6472 1 9 . 1 1 42 42 PHE CB C 42 41.630 41.630 42.000 -0.370 19302 6473 1 9 . 1 1 42 42 PHE H H 42 8.636 8.636 8.549 0.087 19302 6474 1 9 . 1 1 43 43 GLU N N 43 121.397 121.397 122.132 -0.735 19302 6475 1 9 . 1 1 43 43 GLU HA H 43 4.643 4.643 4.714 -0.071 19302 6476 1 9 . 1 1 43 43 GLU C C 43 175.211 175.211 175.069 0.142 19302 6477 1 9 . 1 1 43 43 GLU CA C 43 55.131 55.131 55.395 -0.264 19302 6478 1 9 . 1 1 43 43 GLU CB C 43 33.367 33.367 33.886 -0.519 19302 6479 1 9 . 1 1 43 43 GLU H H 43 8.589 8.589 9.025 -0.436 19302 6480 1 9 . 1 1 44 44 ASP N N 44 124.759 124.759 125.239 -0.480 19302 6481 1 9 . 1 1 44 44 ASP HA H 44 4.708 4.708 4.622 0.086 19302 6482 1 9 . 1 1 44 44 ASP C C 44 177.308 177.308 176.906 0.402 19302 6483 1 9 . 1 1 44 44 ASP CA C 44 53.737 53.737 54.321 -0.584 19302 6484 1 9 . 1 1 44 44 ASP CB C 44 42.365 42.365 40.549 1.816 19302 6485 1 9 . 1 1 44 44 ASP H H 44 8.729 8.729 8.691 0.038 19302 6486 1 9 . 1 1 45 45 GLY N N 45 108.414 108.414 111.117 -2.703 19302 6487 1 9 . 1 1 45 45 GLY C C 45 174.426 174.426 174.370 0.056 19302 6488 1 9 . 1 1 45 45 GLY CA C 45 46.367 46.367 45.090 1.276 19302 6489 1 9 . 1 1 45 45 GLY H H 45 8.564 8.564 8.434 0.130 19302 6490 1 9 . 1 1 46 46 LEU N N 46 119.025 119.025 122.265 -3.240 19302 6491 1 9 . 1 1 46 46 LEU HA H 46 4.356 4.356 4.314 0.042 19302 6492 1 9 . 1 1 46 46 LEU C C 46 177.414 177.414 176.563 0.851 19302 6493 1 9 . 1 1 46 46 LEU CA C 46 54.189 54.189 55.482 -1.293 19302 6494 1 9 . 1 1 46 46 LEU CB C 46 43.853 43.853 42.751 1.102 19302 6495 1 9 . 1 1 46 46 LEU H H 46 7.130 7.130 7.641 -0.511 19302 6496 1 9 . 1 1 47 47 THR N N 47 117.926 117.926 116.989 0.937 19302 6497 1 9 . 1 1 47 47 THR HA H 47 4.326 4.326 4.428 -0.102 19302 6498 1 9 . 1 1 47 47 THR CA C 47 67.458 67.458 63.446 4.012 19302 6499 1 9 . 1 1 47 47 THR H H 47 9.042 9.042 8.608 0.434 19302 6500 1 9 . 1 1 48 48 PRO HA H 48 4.163 4.163 4.282 -0.119 19302 6501 1 9 . 1 1 48 48 PRO CA C 48 62.301 62.301 62.408 -0.107 19302 6502 1 9 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.686 -1.162 19302 6503 1 9 . 1 1 49 49 ASP N N 49 116.671 116.671 117.669 -0.998 19302 6504 1 9 . 1 1 49 49 ASP HA H 49 4.336 4.336 4.334 0.002 19302 6505 1 9 . 1 1 49 49 ASP C C 49 174.082 174.082 175.346 -1.264 19302 6506 1 9 . 1 1 49 49 ASP CA C 49 58.985 58.985 55.748 3.237 19302 6507 1 9 . 1 1 49 49 ASP CB C 49 43.773 43.773 42.300 1.473 19302 6508 1 9 . 1 1 49 49 ASP H H 49 7.731 7.731 7.764 -0.033 19302 6509 1 9 . 1 1 50 50 PHE N N 50 109.227 109.227 115.411 -6.184 19302 6510 1 9 . 1 1 50 50 PHE HA H 50 5.488 5.488 5.355 0.133 19302 6511 1 9 . 1 1 50 50 PHE C C 50 175.293 175.293 174.338 0.955 19302 6512 1 9 . 1 1 50 50 PHE CA C 50 55.516 55.516 56.538 -1.022 19302 6513 1 9 . 1 1 50 50 PHE CB C 50 43.280 43.280 43.806 -0.526 19302 6514 1 9 . 1 1 50 50 PHE H H 50 7.324 7.324 7.777 -0.453 19302 6515 1 9 . 1 1 51 51 TYR N N 51 122.688 122.688 121.211 1.477 19302 6516 1 9 . 1 1 51 51 TYR HA H 51 4.717 4.717 4.934 -0.217 19302 6517 1 9 . 1 1 51 51 TYR C C 51 174.427 174.427 175.485 -1.058 19302 6518 1 9 . 1 1 51 51 TYR CA C 51 59.097 59.097 57.386 1.710 19302 6519 1 9 . 1 1 51 51 TYR CB C 51 39.893 39.893 39.753 0.140 19302 6520 1 9 . 1 1 51 51 TYR H H 51 9.944 9.944 8.545 1.399 19302 6521 1 9 . 1 1 52 52 LEU N N 52 121.948 121.948 127.447 -5.499 19302 6522 1 9 . 1 1 52 52 LEU HA H 52 4.231 4.231 4.225 0.006 19302 6523 1 9 . 1 1 52 52 LEU C C 52 175.771 175.771 176.117 -0.346 19302 6524 1 9 . 1 1 52 52 LEU CA C 52 55.320 55.320 56.570 -1.250 19302 6525 1 9 . 1 1 52 52 LEU CB C 52 42.874 42.874 42.839 0.035 19302 6526 1 9 . 1 1 52 52 LEU H H 52 8.225 8.225 8.826 -0.601 19302 6527 1 9 . 1 1 53 53 SER N N 53 111.729 111.729 109.424 2.305 19302 6528 1 9 . 1 1 53 53 SER HA H 53 4.267 4.267 4.515 -0.248 19302 6529 1 9 . 1 1 53 53 SER C C 53 173.134 173.134 173.443 -0.309 19302 6530 1 9 . 1 1 53 53 SER CA C 53 56.843 56.843 57.753 -0.910 19302 6531 1 9 . 1 1 53 53 SER CB C 53 64.642 64.642 64.740 -0.098 19302 6532 1 9 . 1 1 53 53 SER H H 53 8.487 8.487 7.726 0.761 19302 6533 1 9 . 1 1 54 54 ASN N N 54 116.204 116.204 120.069 -3.865 19302 6534 1 9 . 1 1 54 54 ASN HA H 54 4.388 4.388 4.370 0.018 19302 6535 1 9 . 1 1 54 54 ASN C C 54 175.095 175.095 175.235 -0.140 19302 6536 1 9 . 1 1 54 54 ASN CA C 54 55.905 55.905 54.863 1.042 19302 6537 1 9 . 1 1 54 54 ASN CB C 54 37.761 37.761 37.444 0.317 19302 6538 1 9 . 1 1 54 54 ASN H H 54 8.682 8.682 8.871 -0.189 19302 6539 1 9 . 1 1 55 55 ARG N N 55 112.605 112.605 116.390 -3.785 19302 6540 1 9 . 1 1 55 55 ARG HA H 55 4.607 4.607 4.607 0.000 19302 6541 1 9 . 1 1 55 55 ARG C C 55 175.506 175.506 174.721 0.785 19302 6542 1 9 . 1 1 55 55 ARG CA C 55 55.586 55.586 55.603 -0.017 19302 6543 1 9 . 1 1 55 55 ARG CB C 55 31.688 31.688 32.832 -1.144 19302 6544 1 9 . 1 1 55 55 ARG H H 55 7.783 7.783 7.851 -0.069 19302 6545 1 9 . 1 1 56 56 CYS N N 56 122.261 122.261 118.196 4.065 19302 6546 1 9 . 1 1 56 56 CYS HA H 56 5.194 5.194 5.018 0.176 19302 6547 1 9 . 1 1 56 56 CYS C C 56 172.619 172.619 172.654 -0.035 19302 6548 1 9 . 1 1 56 56 CYS CA C 56 58.099 58.099 56.801 1.298 19302 6549 1 9 . 1 1 56 56 CYS CB C 56 28.338 28.338 29.600 -1.262 19302 6550 1 9 . 1 1 56 56 CYS H H 56 7.379 7.379 8.279 -0.900 19302 6551 1 9 . 1 1 57 57 CYS N N 57 124.705 124.705 120.689 4.016 19302 6552 1 9 . 1 1 57 57 CYS HA H 57 5.380 5.380 4.815 0.565 19302 6553 1 9 . 1 1 57 57 CYS C C 57 160.640 160.640 171.922 -11.282 19302 6554 1 9 . 1 1 57 57 CYS CA C 57 54.521 54.521 56.101 -1.580 19302 6555 1 9 . 1 1 57 57 CYS CB C 57 32.506 32.506 30.971 1.535 19302 6556 1 9 . 1 1 57 57 CYS H H 57 8.980 8.980 8.518 0.462 19302 6557 1 9 . 1 1 58 58 ILE N N 58 118.279 118.279 119.402 -1.123 19302 6558 1 9 . 1 1 58 58 ILE HA H 58 5.181 5.181 5.142 0.039 19302 6559 1 9 . 1 1 58 58 ILE C C 58 175.707 175.707 174.159 1.548 19302 6560 1 9 . 1 1 58 58 ILE CA C 58 58.535 58.535 59.995 -1.460 19302 6561 1 9 . 1 1 58 58 ILE CB C 58 41.538 41.538 41.895 -0.357 19302 6562 1 9 . 1 1 58 58 ILE H H 58 8.960 8.960 8.418 0.542 19302 6563 1 9 . 1 1 59 59 LEU N N 59 130.422 130.422 126.160 4.262 19302 6564 1 9 . 1 1 59 59 LEU HA H 59 4.716 4.716 4.639 0.077 19302 6565 1 9 . 1 1 59 59 LEU C C 59 172.275 172.275 174.596 -2.321 19302 6566 1 9 . 1 1 59 59 LEU CA C 59 53.756 53.756 53.065 0.691 19302 6567 1 9 . 1 1 59 59 LEU CB C 59 42.530 42.530 45.978 -3.448 19302 6568 1 9 . 1 1 59 59 LEU H H 59 9.078 9.078 8.356 0.722 19302 6569 1 9 . 1 1 60 60 TYR N N 60 129.820 129.820 126.848 2.972 19302 6570 1 9 . 1 1 60 60 TYR HA H 60 5.110 5.110 4.567 0.543 19302 6571 1 9 . 1 1 60 60 TYR C C 60 174.911 174.911 174.719 0.192 19302 6572 1 9 . 1 1 60 60 TYR CA C 60 56.689 56.689 58.707 -2.018 19302 6573 1 9 . 1 1 60 60 TYR CB C 60 41.643 41.643 39.490 2.153 19302 6574 1 9 . 1 1 60 60 TYR H H 60 10.120 10.120 8.019 2.101 19302 6575 1 9 . 1 1 61 61 VAL N N 61 132.504 132.504 127.583 4.921 19302 6576 1 9 . 1 1 61 61 VAL HA H 61 4.232 4.232 4.249 -0.017 19302 6577 1 9 . 1 1 61 61 VAL C C 61 174.433 174.433 174.844 -0.411 19302 6578 1 9 . 1 1 61 61 VAL CA C 61 61.641 61.641 60.398 1.243 19302 6579 1 9 . 1 1 61 61 VAL CB C 61 33.305 33.305 35.912 -2.607 19302 6580 1 9 . 1 1 61 61 VAL H H 61 8.903 8.903 8.525 0.378 19302 6581 1 9 . 1 1 62 62 THR N N 62 116.863 116.863 114.514 2.349 19302 6582 1 9 . 1 1 62 62 THR HA H 62 4.024 4.024 4.746 -0.722 19302 6583 1 9 . 1 1 62 62 THR C C 62 175.118 175.118 175.400 -0.282 19302 6584 1 9 . 1 1 62 62 THR CA C 62 60.650 60.650 59.777 0.873 19302 6585 1 9 . 1 1 62 62 THR CB C 62 72.134 72.134 72.002 0.132 19302 6586 1 9 . 1 1 62 62 THR H H 62 8.559 8.559 8.317 0.242 19302 6587 1 9 . 1 1 63 63 GLU N N 63 120.767 120.767 126.430 -5.663 19302 6588 1 9 . 1 1 63 63 GLU HA H 63 3.776 3.776 3.796 -0.020 19302 6589 1 9 . 1 1 63 63 GLU C C 63 177.194 177.194 177.419 -0.225 19302 6590 1 9 . 1 1 63 63 GLU CA C 63 60.496 60.496 60.464 0.032 19302 6591 1 9 . 1 1 63 63 GLU CB C 63 30.709 30.709 29.569 1.140 19302 6592 1 9 . 1 1 63 63 GLU H H 63 9.165 9.165 8.515 0.650 19302 6593 1 9 . 1 1 64 64 ALA N N 64 119.167 119.167 120.922 -1.755 19302 6594 1 9 . 1 1 64 64 ALA HA H 64 3.998 3.998 4.072 -0.075 19302 6595 1 9 . 1 1 64 64 ALA C C 64 180.477 180.477 179.358 1.119 19302 6596 1 9 . 1 1 64 64 ALA CA C 64 54.912 54.912 54.859 0.053 19302 6597 1 9 . 1 1 64 64 ALA CB C 64 17.899 17.899 18.135 -0.236 19302 6598 1 9 . 1 1 64 64 ALA H H 64 7.919 7.919 8.462 -0.543 19302 6599 1 9 . 1 1 65 65 ASP N N 65 119.995 119.995 118.139 1.856 19302 6600 1 9 . 1 1 65 65 ASP HA H 65 4.026 4.026 4.534 -0.508 19302 6601 1 9 . 1 1 65 65 ASP C C 65 177.891 177.891 178.634 -0.743 19302 6602 1 9 . 1 1 65 65 ASP CA C 65 57.412 57.412 56.232 1.180 19302 6603 1 9 . 1 1 65 65 ASP CB C 65 41.112 41.112 40.904 0.208 19302 6604 1 9 . 1 1 65 65 ASP H H 65 7.851 7.851 8.352 -0.501 19302 6605 1 9 . 1 1 66 66 LEU N N 66 118.585 118.585 121.435 -2.850 19302 6606 1 9 . 1 1 66 66 LEU HA H 66 3.813 3.813 3.982 -0.169 19302 6607 1 9 . 1 1 66 66 LEU C C 66 178.892 178.892 178.263 0.629 19302 6608 1 9 . 1 1 66 66 LEU CA C 66 56.943 56.943 57.613 -0.670 19302 6609 1 9 . 1 1 66 66 LEU CB C 66 41.700 41.700 41.994 -0.294 19302 6610 1 9 . 1 1 66 66 LEU H H 66 7.210 7.210 7.282 -0.072 19302 6611 1 9 . 1 1 67 67 VAL N N 67 117.714 117.714 116.169 1.545 19302 6612 1 9 . 1 1 67 67 VAL HA H 67 3.088 3.088 3.655 -0.567 19302 6613 1 9 . 1 1 67 67 VAL C C 67 177.430 177.430 176.321 1.109 19302 6614 1 9 . 1 1 67 67 VAL CA C 67 64.392 64.392 65.246 -0.854 19302 6615 1 9 . 1 1 67 67 VAL CB C 67 31.974 31.974 31.740 0.234 19302 6616 1 9 . 1 1 67 67 VAL H H 67 7.774 7.774 7.561 0.213 19302 6617 1 9 . 1 1 68 68 ALA N N 68 120.210 120.210 120.373 -0.163 19302 6618 1 9 . 1 1 68 68 ALA HA H 68 3.992 3.992 4.634 -0.642 19302 6619 1 9 . 1 1 68 68 ALA C C 68 178.127 178.127 176.223 1.904 19302 6620 1 9 . 1 1 68 68 ALA CA C 68 53.540 53.540 51.502 2.038 19302 6621 1 9 . 1 1 68 68 ALA CB C 68 18.849 18.849 20.428 -1.579 19302 6622 1 9 . 1 1 68 68 ALA H H 68 7.336 7.336 7.624 -0.288 19302 6623 1 9 . 1 1 69 69 GLY N N 69 106.149 106.149 108.916 -2.767 19302 6624 1 9 . 1 1 69 69 GLY C C 69 173.298 173.298 174.758 -1.460 19302 6625 1 9 . 1 1 69 69 GLY CA C 69 45.057 45.057 44.945 0.112 19302 6626 1 9 . 1 1 69 69 GLY H H 69 7.143 7.143 8.828 -1.685 19302 6627 1 9 . 1 1 70 70 ASN N N 70 118.879 118.879 118.618 0.261 19302 6628 1 9 . 1 1 70 70 ASN HA H 70 4.855 4.855 4.555 0.300 19302 6629 1 9 . 1 1 70 70 ASN C C 70 177.766 177.766 175.540 2.226 19302 6630 1 9 . 1 1 70 70 ASN CA C 70 52.611 52.611 54.745 -2.134 19302 6631 1 9 . 1 1 70 70 ASN CB C 70 38.356 38.356 37.784 0.572 19302 6632 1 9 . 1 1 70 70 ASN H H 70 8.316 8.316 8.341 -0.025 19302 6633 1 9 . 1 1 71 71 GLY N N 71 114.725 114.725 107.014 7.711 19302 6634 1 9 . 1 1 71 71 GLY C C 71 176.515 176.515 174.347 2.168 19302 6635 1 9 . 1 1 71 71 GLY CA C 71 47.575 47.575 44.896 2.679 19302 6636 1 9 . 1 1 71 71 GLY H H 71 8.812 8.812 7.956 0.856 19302 6637 1 9 . 1 1 72 72 TYR N N 72 118.594 118.594 122.508 -3.914 19302 6638 1 9 . 1 1 72 72 TYR HA H 72 4.182 4.182 4.473 -0.291 19302 6639 1 9 . 1 1 72 72 TYR C C 72 176.205 176.205 177.136 -0.931 19302 6640 1 9 . 1 1 72 72 TYR CA C 72 59.287 59.287 59.629 -0.342 19302 6641 1 9 . 1 1 72 72 TYR CB C 72 37.305 37.305 39.233 -1.928 19302 6642 1 9 . 1 1 72 72 TYR H H 72 8.067 8.067 7.931 0.136 19302 6643 1 9 . 1 1 73 73 ARG N N 73 119.967 119.967 120.177 -0.210 19302 6644 1 9 . 1 1 73 73 ARG HA H 73 3.261 3.261 3.864 -0.603 19302 6645 1 9 . 1 1 73 73 ARG C C 73 177.612 177.612 177.765 -0.153 19302 6646 1 9 . 1 1 73 73 ARG CA C 73 59.984 59.984 60.507 -0.523 19302 6647 1 9 . 1 1 73 73 ARG CB C 73 29.286 29.286 30.051 -0.765 19302 6648 1 9 . 1 1 73 73 ARG H H 73 6.715 6.715 8.119 -1.404 19302 6649 1 9 . 1 1 74 74 LYS N N 74 116.928 116.928 117.798 -0.870 19302 6650 1 9 . 1 1 74 74 LYS HA H 74 3.728 3.728 4.025 -0.297 19302 6651 1 9 . 1 1 74 74 LYS C C 74 179.161 179.161 178.560 0.601 19302 6652 1 9 . 1 1 74 74 LYS CA C 74 59.770 59.770 59.188 0.582 19302 6653 1 9 . 1 1 74 74 LYS CB C 74 32.037 32.037 32.095 -0.058 19302 6654 1 9 . 1 1 74 74 LYS H H 74 7.169 7.169 7.904 -0.735 19302 6655 1 9 . 1 1 75 75 ARG N N 75 117.727 117.727 119.187 -1.460 19302 6656 1 9 . 1 1 75 75 ARG HA H 75 3.753 3.753 3.947 -0.194 19302 6657 1 9 . 1 1 75 75 ARG C C 75 177.176 177.176 178.751 -1.575 19302 6658 1 9 . 1 1 75 75 ARG CA C 75 59.596 59.596 59.151 0.445 19302 6659 1 9 . 1 1 75 75 ARG CB C 75 31.110 31.110 29.567 1.543 19302 6660 1 9 . 1 1 75 75 ARG H H 75 7.511 7.511 8.165 -0.654 19302 6661 1 9 . 1 1 76 76 LEU N N 76 118.105 118.105 118.542 -0.437 19302 6662 1 9 . 1 1 76 76 LEU HA H 76 3.575 3.575 3.980 -0.405 19302 6663 1 9 . 1 1 76 76 LEU C C 76 178.325 178.325 178.578 -0.253 19302 6664 1 9 . 1 1 76 76 LEU CA C 76 59.496 59.496 57.612 1.884 19302 6665 1 9 . 1 1 76 76 LEU CB C 76 41.124 41.124 42.054 -0.930 19302 6666 1 9 . 1 1 76 76 LEU H H 76 6.770 6.770 7.376 -0.606 19302 6667 1 9 . 1 1 77 77 VAL N N 77 117.854 117.854 119.621 -1.767 19302 6668 1 9 . 1 1 77 77 VAL HA H 77 3.243 3.243 3.530 -0.287 19302 6669 1 9 . 1 1 77 77 VAL C C 77 177.335 177.335 177.858 -0.523 19302 6670 1 9 . 1 1 77 77 VAL CA C 77 66.596 66.596 66.608 -0.012 19302 6671 1 9 . 1 1 77 77 VAL CB C 77 31.703 31.703 31.441 0.262 19302 6672 1 9 . 1 1 77 77 VAL H H 77 7.800 7.800 7.463 0.337 19302 6673 1 9 . 1 1 78 78 ARG N N 78 118.783 118.783 118.964 -0.181 19302 6674 1 9 . 1 1 78 78 ARG HA H 78 3.872 3.872 3.976 -0.104 19302 6675 1 9 . 1 1 78 78 ARG C C 78 179.484 179.484 178.739 0.745 19302 6676 1 9 . 1 1 78 78 ARG CA C 78 59.337 59.337 59.194 0.143 19302 6677 1 9 . 1 1 78 78 ARG CB C 78 29.921 29.921 29.605 0.316 19302 6678 1 9 . 1 1 78 78 ARG H H 78 7.385 7.385 8.062 -0.677 19302 6679 1 9 . 1 1 79 79 VAL N N 79 118.747 118.747 119.563 -0.816 19302 6680 1 9 . 1 1 79 79 VAL HA H 79 3.434 3.434 3.663 -0.229 19302 6681 1 9 . 1 1 79 79 VAL C C 79 177.902 177.902 177.327 0.575 19302 6682 1 9 . 1 1 79 79 VAL CA C 79 66.771 66.771 66.329 0.442 19302 6683 1 9 . 1 1 79 79 VAL CB C 79 31.327 31.327 31.517 -0.190 19302 6684 1 9 . 1 1 79 79 VAL H H 79 7.374 7.374 7.354 0.020 19302 6685 1 9 . 1 1 80 80 ARG N N 80 122.868 122.868 118.889 3.979 19302 6686 1 9 . 1 1 80 80 ARG HA H 80 3.960 3.960 3.965 -0.005 19302 6687 1 9 . 1 1 80 80 ARG C C 80 177.893 177.893 177.945 -0.052 19302 6688 1 9 . 1 1 80 80 ARG CA C 80 58.256 58.256 59.163 -0.908 19302 6689 1 9 . 1 1 80 80 ARG CB C 80 29.141 29.141 29.806 -0.665 19302 6690 1 9 . 1 1 80 80 ARG H H 80 8.268 8.268 7.803 0.465 19302 6691 1 9 . 1 1 81 81 ASN N N 81 115.469 115.469 115.899 -0.430 19302 6692 1 9 . 1 1 81 81 ASN HA H 81 4.528 4.528 4.466 0.062 19302 6693 1 9 . 1 1 81 81 ASN C C 81 175.329 175.329 177.191 -1.862 19302 6694 1 9 . 1 1 81 81 ASN CA C 81 53.553 53.553 55.929 -2.376 19302 6695 1 9 . 1 1 81 81 ASN CB C 81 38.358 38.358 38.883 -0.524 19302 6696 1 9 . 1 1 81 81 ASN H H 81 7.878 7.878 8.197 -0.319 19302 6697 1 9 . 1 1 82 82 SER N N 82 117.226 117.226 115.029 2.197 19302 6698 1 9 . 1 1 82 82 SER HA H 82 4.350 4.350 4.129 0.221 19302 6699 1 9 . 1 1 82 82 SER C C 82 175.243 175.243 175.058 0.185 19302 6700 1 9 . 1 1 82 82 SER CA C 82 59.045 59.045 60.987 -1.942 19302 6701 1 9 . 1 1 82 82 SER CB C 82 63.929 63.929 62.889 1.040 19302 6702 1 9 . 1 1 82 82 SER H H 82 7.528 7.528 7.980 -0.452 19302 6703 1 9 . 1 1 83 83 ASN N N 83 121.059 121.059 119.495 1.564 19302 6704 1 9 . 1 1 83 83 ASN HA H 83 4.402 4.402 4.665 -0.263 19302 6705 1 9 . 1 1 83 83 ASN C C 83 175.260 175.260 173.109 2.151 19302 6706 1 9 . 1 1 83 83 ASN CA C 83 54.583 54.583 53.730 0.854 19302 6707 1 9 . 1 1 83 83 ASN CB C 83 38.909 38.909 38.681 0.228 19302 6708 1 9 . 1 1 83 83 ASN H H 83 8.348 8.348 8.348 -0.000 19302 6709 1 9 . 1 1 84 84 ASN N N 84 117.070 117.070 118.588 -1.518 19302 6710 1 9 . 1 1 84 84 ASN HA H 84 4.422 4.422 4.842 -0.420 19302 6711 1 9 . 1 1 84 84 ASN C C 84 173.609 173.609 174.239 -0.630 19302 6712 1 9 . 1 1 84 84 ASN CA C 84 53.753 53.753 52.662 1.091 19302 6713 1 9 . 1 1 84 84 ASN CB C 84 38.551 38.551 38.060 0.491 19302 6714 1 9 . 1 1 84 84 ASN H H 84 8.466 8.466 8.342 0.124 19302 6715 1 9 . 1 1 85 85 LEU N N 85 119.048 119.048 121.686 -2.638 19302 6716 1 9 . 1 1 85 85 LEU HA H 85 4.518 4.518 4.512 0.006 19302 6717 1 9 . 1 1 85 85 LEU C C 85 175.397 175.397 177.486 -2.089 19302 6718 1 9 . 1 1 85 85 LEU CA C 85 54.094 54.094 55.535 -1.441 19302 6719 1 9 . 1 1 85 85 LEU CB C 85 44.902 44.902 42.566 2.336 19302 6720 1 9 . 1 1 85 85 LEU H H 85 7.453 7.453 8.067 -0.614 19302 6721 1 9 . 1 1 86 86 LYS N N 86 125.959 125.959 120.622 5.337 19302 6722 1 9 . 1 1 86 86 LYS HA H 86 4.397 4.397 4.650 -0.253 19302 6723 1 9 . 1 1 86 86 LYS C C 86 175.209 175.209 175.575 -0.366 19302 6724 1 9 . 1 1 86 86 LYS CA C 86 54.934 54.934 55.485 -0.551 19302 6725 1 9 . 1 1 86 86 LYS CB C 86 33.581 33.581 32.485 1.096 19302 6726 1 9 . 1 1 86 86 LYS H H 86 8.242 8.242 8.987 -0.745 19302 6727 1 9 . 1 1 87 87 GLY N N 87 113.359 113.359 109.777 3.582 19302 6728 1 9 . 1 1 87 87 GLY C C 87 171.780 171.780 172.465 -0.685 19302 6729 1 9 . 1 1 87 87 GLY CA C 87 44.894 44.894 43.210 1.684 19302 6730 1 9 . 1 1 87 87 GLY H H 87 8.840 8.840 8.177 0.663 19302 6731 1 9 . 1 1 88 88 ILE N N 88 125.743 125.743 118.910 6.833 19302 6732 1 9 . 1 1 88 88 ILE HA H 88 4.077 4.077 4.657 -0.580 19302 6733 1 9 . 1 1 88 88 ILE C C 88 174.254 174.254 175.082 -0.828 19302 6734 1 9 . 1 1 88 88 ILE CA C 88 60.766 60.766 60.641 0.125 19302 6735 1 9 . 1 1 88 88 ILE CB C 88 40.483 40.483 41.326 -0.843 19302 6736 1 9 . 1 1 88 88 ILE H H 88 8.411 8.411 8.692 -0.281 19302 6737 1 9 . 1 1 89 89 VAL N N 89 129.556 129.556 128.166 1.390 19302 6738 1 9 . 1 1 89 89 VAL HA H 89 4.762 4.762 4.484 0.278 19302 6739 1 9 . 1 1 89 89 VAL C C 89 174.205 174.205 175.069 -0.864 19302 6740 1 9 . 1 1 89 89 VAL CA C 89 61.224 61.224 61.473 -0.249 19302 6741 1 9 . 1 1 89 89 VAL CB C 89 31.924 31.924 32.729 -0.805 19302 6742 1 9 . 1 1 89 89 VAL H H 89 8.859 8.859 8.907 -0.048 19302 6743 1 9 . 1 1 90 90 VAL N N 90 130.678 130.678 128.648 2.030 19302 6744 1 9 . 1 1 90 90 VAL HA H 90 4.804 4.804 4.136 0.668 19302 6745 1 9 . 1 1 90 90 VAL C C 90 173.650 173.650 174.565 -0.915 19302 6746 1 9 . 1 1 90 90 VAL CA C 90 60.478 60.478 61.825 -1.347 19302 6747 1 9 . 1 1 90 90 VAL CB C 90 33.666 33.666 33.142 0.524 19302 6748 1 9 . 1 1 90 90 VAL H H 90 8.747 8.747 8.277 0.470 19302 6749 1 9 . 1 1 91 91 VAL N N 91 122.793 122.793 125.071 -2.278 19302 6750 1 9 . 1 1 91 91 VAL HA H 91 5.019 5.019 4.243 0.776 19302 6751 1 9 . 1 1 91 91 VAL C C 91 173.241 173.241 174.341 -1.100 19302 6752 1 9 . 1 1 91 91 VAL CA C 91 56.898 56.898 59.668 -2.770 19302 6753 1 9 . 1 1 91 91 VAL CB C 91 35.349 35.349 35.378 -0.029 19302 6754 1 9 . 1 1 91 91 VAL H H 91 7.758 7.758 8.008 -0.250 19302 6755 1 9 . 1 1 92 92 GLU N N 92 125.925 125.925 125.160 0.765 19302 6756 1 9 . 1 1 92 92 GLU HA H 92 4.208 4.208 4.523 -0.315 19302 6757 1 9 . 1 1 92 92 GLU C C 92 173.665 173.665 175.369 -1.704 19302 6758 1 9 . 1 1 92 92 GLU CA C 92 55.740 55.740 54.853 0.887 19302 6759 1 9 . 1 1 92 92 GLU CB C 92 29.433 29.433 31.521 -2.088 19302 6760 1 9 . 1 1 92 92 GLU H H 92 7.501 7.501 8.350 -0.849 19302 6761 1 9 . 1 1 93 93 LYS N N 93 132.415 132.415 125.727 6.688 19302 6762 1 9 . 1 1 93 93 LYS HA H 93 4.033 4.033 4.263 -0.230 19302 6763 1 9 . 1 1 93 93 LYS C C 93 173.582 173.582 176.194 -2.612 19302 6764 1 9 . 1 1 93 93 LYS CA C 93 55.460 55.460 56.747 -1.287 19302 6765 1 9 . 1 1 93 93 LYS CB C 93 33.506 33.506 32.679 0.827 19302 6766 1 9 . 1 1 93 93 LYS H H 93 9.015 9.015 8.711 0.304 19302 6767 1 9 . 1 1 94 94 THR N N 94 118.315 118.315 118.103 0.212 19302 6768 1 9 . 1 1 94 94 THR HA H 94 4.600 4.600 4.595 0.005 19302 6769 1 9 . 1 1 94 94 THR C C 94 174.933 174.933 174.605 0.328 19302 6770 1 9 . 1 1 94 94 THR CA C 94 58.678 58.678 62.715 -4.037 19302 6771 1 9 . 1 1 94 94 THR CB C 94 72.561 72.561 70.978 1.583 19302 6772 1 9 . 1 1 94 94 THR H H 94 8.288 8.288 9.042 -0.754 19302 6773 1 9 . 1 1 95 95 ARG N N 95 119.684 119.684 118.161 1.523 19302 6774 1 9 . 1 1 95 95 ARG HA H 95 3.960 3.960 4.695 -0.735 19302 6775 1 9 . 1 1 95 95 ARG C C 95 178.617 178.617 176.344 2.273 19302 6776 1 9 . 1 1 95 95 ARG CA C 95 59.240 59.240 56.672 2.568 19302 6777 1 9 . 1 1 95 95 ARG CB C 95 29.480 29.480 31.334 -1.854 19302 6778 1 9 . 1 1 95 95 ARG H H 95 8.719 8.719 8.081 0.638 19302 6779 1 9 . 1 1 96 96 MET N N 96 115.656 115.656 120.238 -4.582 19302 6780 1 9 . 1 1 96 96 MET HA H 96 4.332 4.332 4.551 -0.219 19302 6781 1 9 . 1 1 96 96 MET C C 96 177.312 177.312 177.129 0.183 19302 6782 1 9 . 1 1 96 96 MET CA C 96 56.615 56.615 56.815 -0.200 19302 6783 1 9 . 1 1 96 96 MET CB C 96 32.723 32.723 33.233 -0.510 19302 6784 1 9 . 1 1 96 96 MET H H 96 7.895 7.895 8.243 -0.348 19302 6785 1 9 . 1 1 97 97 SER N N 97 114.024 114.024 117.554 -3.530 19302 6786 1 9 . 1 1 97 97 SER HA H 97 4.648 4.648 4.227 0.421 19302 6787 1 9 . 1 1 97 97 SER C C 97 176.743 176.743 175.819 0.924 19302 6788 1 9 . 1 1 97 97 SER CA C 97 58.484 58.484 61.549 -3.065 19302 6789 1 9 . 1 1 97 97 SER CB C 97 65.103 65.103 62.171 2.932 19302 6790 1 9 . 1 1 97 97 SER H H 97 8.108 8.108 8.410 -0.302 19302 6791 1 9 . 1 1 98 98 GLU N N 98 124.701 124.701 119.809 4.892 19302 6792 1 9 . 1 1 98 98 GLU HA H 98 3.689 3.689 4.239 -0.550 19302 6793 1 9 . 1 1 98 98 GLU C C 98 178.994 178.994 177.852 1.142 19302 6794 1 9 . 1 1 98 98 GLU CA C 98 60.482 60.482 59.221 1.261 19302 6795 1 9 . 1 1 98 98 GLU CB C 98 29.096 29.096 28.382 0.714 19302 6796 1 9 . 1 1 98 98 GLU H H 98 8.229 8.229 8.906 -0.677 19302 6797 1 9 . 1 1 99 99 GLN N N 99 117.637 117.637 118.332 -0.695 19302 6798 1 9 . 1 1 99 99 GLN HA H 99 4.008 4.008 4.262 -0.254 19302 6799 1 9 . 1 1 99 99 GLN C C 99 176.402 176.402 177.285 -0.883 19302 6800 1 9 . 1 1 99 99 GLN CA C 99 58.127 58.127 58.331 -0.204 19302 6801 1 9 . 1 1 99 99 GLN CB C 99 28.135 28.135 29.241 -1.106 19302 6802 1 9 . 1 1 99 99 GLN H H 99 8.464 8.464 8.332 0.132 19302 6803 1 9 . 1 1 100 100 TYR N N 100 118.538 118.538 117.521 1.017 19302 6804 1 9 . 1 1 100 100 TYR HA H 100 4.512 4.512 4.640 -0.128 19302 6805 1 9 . 1 1 100 100 TYR C C 100 176.132 176.132 176.177 -0.045 19302 6806 1 9 . 1 1 100 100 TYR CA C 100 58.029 58.029 57.362 0.667 19302 6807 1 9 . 1 1 100 100 TYR CB C 100 39.600 39.600 39.966 -0.366 19302 6808 1 9 . 1 1 100 100 TYR H H 100 7.688 7.688 7.903 -0.215 19302 6809 1 9 . 1 1 101 101 PHE N N 101 121.713 121.713 123.254 -1.541 19302 6810 1 9 . 1 1 101 101 PHE HA H 101 4.098 4.098 4.364 -0.266 19302 6811 1 9 . 1 1 101 101 PHE C C 101 173.115 173.115 174.160 -1.045 19302 6812 1 9 . 1 1 101 101 PHE CA C 101 63.389 63.389 61.927 1.462 19302 6813 1 9 . 1 1 101 101 PHE CB C 101 37.438 37.438 36.531 0.907 19302 6814 1 9 . 1 1 101 101 PHE H H 101 7.916 7.916 9.138 -1.222 19302 6815 1 9 . 1 1 102 102 PRO HA H 102 4.078 4.078 3.328 0.750 19302 6816 1 9 . 1 1 102 102 PRO C C 102 179.371 179.371 178.197 1.174 19302 6817 1 9 . 1 1 102 102 PRO CA C 102 67.173 67.173 65.525 1.648 19302 6818 1 9 . 1 1 102 102 PRO CB C 102 30.497 30.497 30.291 0.206 19302 6819 1 9 . 1 1 103 103 ALA N N 103 119.259 119.259 119.250 0.009 19302 6820 1 9 . 1 1 103 103 ALA HA H 103 4.043 4.043 3.887 0.156 19302 6821 1 9 . 1 1 103 103 ALA C C 103 180.693 180.693 179.774 0.919 19302 6822 1 9 . 1 1 103 103 ALA CA C 103 54.322 54.322 54.497 -0.175 19302 6823 1 9 . 1 1 103 103 ALA CB C 103 18.420 18.420 17.512 0.908 19302 6824 1 9 . 1 1 103 103 ALA H H 103 8.030 8.030 8.156 -0.126 19302 6825 1 9 . 1 1 104 104 LEU N N 104 121.207 121.207 116.872 4.335 19302 6826 1 9 . 1 1 104 104 LEU HA H 104 4.164 4.164 4.201 -0.037 19302 6827 1 9 . 1 1 104 104 LEU C C 104 179.295 179.295 178.579 0.716 19302 6828 1 9 . 1 1 104 104 LEU CA C 104 58.235 58.235 56.425 1.810 19302 6829 1 9 . 1 1 104 104 LEU CB C 104 41.154 41.154 42.172 -1.018 19302 6830 1 9 . 1 1 104 104 LEU H H 104 7.161 7.161 7.541 -0.380 19302 6831 1 9 . 1 1 105 105 GLN N N 105 123.941 123.941 119.640 4.301 19302 6832 1 9 . 1 1 105 105 GLN HA H 105 3.451 3.451 4.138 -0.687 19302 6833 1 9 . 1 1 105 105 GLN C C 105 176.984 176.984 178.350 -1.366 19302 6834 1 9 . 1 1 105 105 GLN CA C 105 59.986 59.986 58.740 1.246 19302 6835 1 9 . 1 1 105 105 GLN CB C 105 27.878 27.878 28.625 -0.747 19302 6836 1 9 . 1 1 105 105 GLN H H 105 8.836 8.836 8.048 0.788 19302 6837 1 9 . 1 1 106 106 LYS N N 106 119.943 119.943 120.276 -0.333 19302 6838 1 9 . 1 1 106 106 LYS HA H 106 3.752 3.752 4.058 -0.306 19302 6839 1 9 . 1 1 106 106 LYS C C 106 177.834 177.834 179.094 -1.260 19302 6840 1 9 . 1 1 106 106 LYS CA C 106 60.337 60.337 59.727 0.610 19302 6841 1 9 . 1 1 106 106 LYS CB C 106 32.380 32.380 32.530 -0.150 19302 6842 1 9 . 1 1 106 106 LYS H H 106 7.692 7.692 8.424 -0.732 19302 6843 1 9 . 1 1 107 107 PHE N N 107 117.769 117.769 118.343 -0.574 19302 6844 1 9 . 1 1 107 107 PHE HA H 107 4.378 4.378 4.481 -0.103 19302 6845 1 9 . 1 1 107 107 PHE C C 107 176.089 176.089 177.943 -1.854 19302 6846 1 9 . 1 1 107 107 PHE CA C 107 60.327 60.327 61.021 -0.694 19302 6847 1 9 . 1 1 107 107 PHE CB C 107 40.477 40.477 39.166 1.311 19302 6848 1 9 . 1 1 107 107 PHE H H 107 7.514 7.514 7.774 -0.260 19302 6849 1 9 . 1 1 108 108 THR N N 108 112.966 112.966 116.958 -3.992 19302 6850 1 9 . 1 1 108 108 THR HA H 108 3.196 3.196 3.918 -0.722 19302 6851 1 9 . 1 1 108 108 THR C C 108 174.656 174.656 176.558 -1.902 19302 6852 1 9 . 1 1 108 108 THR CA C 108 67.885 67.885 67.117 0.768 19302 6853 1 9 . 1 1 108 108 THR CB C 108 69.292 69.292 68.674 0.618 19302 6854 1 9 . 1 1 108 108 THR H H 108 8.541 8.541 7.910 0.631 19302 6855 1 9 . 1 1 109 109 VAL N N 109 118.515 118.515 121.765 -3.250 19302 6856 1 9 . 1 1 109 109 VAL HA H 109 3.953 3.953 3.732 0.221 19302 6857 1 9 . 1 1 109 109 VAL C C 109 178.009 178.009 177.787 0.222 19302 6858 1 9 . 1 1 109 109 VAL CA C 109 65.110 65.110 66.956 -1.846 19302 6859 1 9 . 1 1 109 109 VAL CB C 109 32.327 32.327 31.588 0.739 19302 6860 1 9 . 1 1 109 109 VAL H H 109 8.065 8.065 7.672 0.393 19302 6861 1 9 . 1 1 110 110 LEU N N 110 118.627 118.627 119.669 -1.042 19302 6862 1 9 . 1 1 110 110 LEU HA H 110 4.157 4.157 3.932 0.225 19302 6863 1 9 . 1 1 110 110 LEU C C 110 178.351 178.351 178.056 0.295 19302 6864 1 9 . 1 1 110 110 LEU CA C 110 57.133 57.133 57.357 -0.224 19302 6865 1 9 . 1 1 110 110 LEU CB C 110 40.985 40.985 41.767 -0.782 19302 6866 1 9 . 1 1 110 110 LEU H H 110 7.224 7.224 7.584 -0.360 19302 6867 1 9 . 1 1 111 111 ASP N N 111 119.092 119.092 119.886 -0.794 19302 6868 1 9 . 1 1 111 111 ASP HA H 111 4.325 4.325 4.519 -0.194 19302 6869 1 9 . 1 1 111 111 ASP C C 111 178.644 178.644 177.539 1.105 19302 6870 1 9 . 1 1 111 111 ASP CA C 111 57.243 57.243 56.549 0.694 19302 6871 1 9 . 1 1 111 111 ASP CB C 111 39.330 39.330 41.369 -2.039 19302 6872 1 9 . 1 1 111 111 ASP H H 111 7.719 7.719 8.303 -0.584 19302 6873 1 9 . 1 1 112 112 LEU N N 112 114.990 114.990 115.326 -0.336 19302 6874 1 9 . 1 1 112 112 LEU HA H 112 4.044 4.044 4.666 -0.622 19302 6875 1 9 . 1 1 112 112 LEU C C 112 177.936 177.936 177.847 0.089 19302 6876 1 9 . 1 1 112 112 LEU CA C 112 55.507 55.507 55.041 0.466 19302 6877 1 9 . 1 1 112 112 LEU CB C 112 42.142 42.142 43.301 -1.159 19302 6878 1 9 . 1 1 112 112 LEU H H 112 7.306 7.306 8.218 -0.912 19302 6879 1 9 . 1 1 113 113 GLY N N 113 108.097 108.097 107.806 0.291 19302 6880 1 9 . 1 1 113 113 GLY C C 113 175.161 175.161 174.611 0.550 19302 6881 1 9 . 1 1 113 113 GLY CA C 113 47.080 47.080 45.502 1.577 19302 6882 1 9 . 1 1 113 113 GLY H H 113 6.651 6.651 7.695 -1.044 19302 6883 1 9 . 1 1 114 114 MET N N 114 119.916 119.916 118.494 1.422 19302 6884 1 9 . 1 1 114 114 MET HA H 114 4.441 4.441 4.511 -0.070 19302 6885 1 9 . 1 1 114 114 MET C C 114 174.467 174.467 175.816 -1.349 19302 6886 1 9 . 1 1 114 114 MET CA C 114 55.303 55.303 55.102 0.201 19302 6887 1 9 . 1 1 114 114 MET CB C 114 35.820 35.820 34.731 1.089 19302 6888 1 9 . 1 1 114 114 MET H H 114 8.107 8.107 7.690 0.417 19302 6889 1 9 . 1 1 115 115 VAL N N 115 120.592 120.592 121.520 -0.928 19302 6890 1 9 . 1 1 115 115 VAL HA H 115 3.723 3.723 4.306 -0.583 19302 6891 1 9 . 1 1 115 115 VAL C C 115 173.084 173.084 174.268 -1.184 19302 6892 1 9 . 1 1 115 115 VAL CA C 115 62.921 62.921 61.588 1.333 19302 6893 1 9 . 1 1 115 115 VAL CB C 115 33.192 33.192 32.197 0.996 19302 6894 1 9 . 1 1 115 115 VAL H H 115 7.414 7.414 8.302 -0.888 19302 6895 1 9 . 1 1 116 116 LEU N N 116 128.303 128.303 129.470 -1.167 19302 6896 1 9 . 1 1 116 116 LEU HA H 116 5.176 5.176 5.235 -0.059 19302 6897 1 9 . 1 1 116 116 LEU C C 116 175.304 175.304 176.788 -1.484 19302 6898 1 9 . 1 1 116 116 LEU CA C 116 53.335 53.335 54.271 -0.936 19302 6899 1 9 . 1 1 116 116 LEU CB C 116 45.512 45.512 43.542 1.970 19302 6900 1 9 . 1 1 116 116 LEU H H 116 7.872 7.872 8.616 -0.744 19302 6901 1 9 . 1 1 117 117 LEU N N 117 129.470 129.470 124.881 4.589 19302 6902 1 9 . 1 1 117 117 LEU HA H 117 4.922 4.922 4.752 0.170 19302 6903 1 9 . 1 1 117 117 LEU C C 117 173.512 173.512 174.464 -0.952 19302 6904 1 9 . 1 1 117 117 LEU CA C 117 51.061 51.061 52.830 -1.769 19302 6905 1 9 . 1 1 117 117 LEU CB C 117 43.824 43.824 44.508 -0.684 19302 6906 1 9 . 1 1 117 117 LEU H H 117 9.331 9.331 8.317 1.014 19302 6907 1 9 . 1 1 118 118 PRO HA H 118 5.167 5.167 4.726 0.441 19302 6908 1 9 . 1 1 118 118 PRO C C 118 176.784 176.784 176.155 0.629 19302 6909 1 9 . 1 1 118 118 PRO CA C 118 61.019 61.019 62.708 -1.689 19302 6910 1 9 . 1 1 118 118 PRO CB C 118 32.806 32.806 32.125 0.681 19302 6911 1 9 . 1 1 119 119 VAL N N 119 114.345 114.345 117.182 -2.837 19302 6912 1 9 . 1 1 119 119 VAL HA H 119 4.507 4.507 4.496 0.011 19302 6913 1 9 . 1 1 119 119 VAL C C 119 174.881 174.881 174.975 -0.094 19302 6914 1 9 . 1 1 119 119 VAL CA C 119 59.150 59.150 60.751 -1.601 19302 6915 1 9 . 1 1 119 119 VAL CB C 119 36.847 36.847 32.566 4.281 19302 6916 1 9 . 1 1 119 119 VAL H H 119 8.775 8.775 8.438 0.337 19302 6917 1 9 . 1 1 120 120 ALA N N 120 121.458 121.458 118.496 2.962 19302 6918 1 9 . 1 1 120 120 ALA HA H 120 4.335 4.335 4.355 -0.020 19302 6919 1 9 . 1 1 120 120 ALA C C 120 177.637 177.637 175.638 1.999 19302 6920 1 9 . 1 1 120 120 ALA CA C 120 52.662 52.662 52.262 0.400 19302 6921 1 9 . 1 1 120 120 ALA CB C 120 19.817 19.817 19.169 0.648 19302 6922 1 9 . 1 1 120 120 ALA H H 120 8.740 8.740 8.326 0.414 19302 6923 1 9 . 1 1 121 121 SER N N 121 106.201 106.201 115.021 -8.820 19302 6924 1 9 . 1 1 121 121 SER HA H 121 4.523 4.523 4.693 -0.170 19302 6925 1 9 . 1 1 121 121 SER C C 121 173.940 173.940 175.044 -1.104 19302 6926 1 9 . 1 1 121 121 SER CA C 121 56.668 56.668 56.553 0.115 19302 6927 1 9 . 1 1 121 121 SER CB C 121 66.057 66.057 65.645 0.412 19302 6928 1 9 . 1 1 121 121 SER H H 121 7.147 7.147 7.872 -0.725 19302 6929 1 9 . 1 1 122 122 GLN N N 122 120.942 120.942 123.156 -2.214 19302 6930 1 9 . 1 1 122 122 GLN HA H 122 4.063 4.063 4.042 0.021 19302 6931 1 9 . 1 1 122 122 GLN C C 122 178.350 178.350 177.688 0.662 19302 6932 1 9 . 1 1 122 122 GLN CA C 122 59.436 59.436 59.485 -0.049 19302 6933 1 9 . 1 1 122 122 GLN CB C 122 29.018 29.018 28.294 0.724 19302 6934 1 9 . 1 1 122 122 GLN H H 122 9.055 9.055 9.003 0.052 19302 6935 1 9 . 1 1 123 123 MET N N 123 118.978 118.978 117.385 1.593 19302 6936 1 9 . 1 1 123 123 MET HA H 123 3.947 3.947 4.252 -0.305 19302 6937 1 9 . 1 1 123 123 MET C C 123 179.161 179.161 178.361 0.800 19302 6938 1 9 . 1 1 123 123 MET CA C 123 58.802 58.802 59.416 -0.614 19302 6939 1 9 . 1 1 123 123 MET CB C 123 31.305 31.305 32.163 -0.858 19302 6940 1 9 . 1 1 123 123 MET H H 123 7.950 7.950 8.243 -0.293 19302 6941 1 9 . 1 1 124 124 GLU N N 124 121.747 121.747 119.132 2.615 19302 6942 1 9 . 1 1 124 124 GLU HA H 124 3.897 3.897 3.934 -0.037 19302 6943 1 9 . 1 1 124 124 GLU C C 124 179.272 179.272 178.821 0.451 19302 6944 1 9 . 1 1 124 124 GLU CA C 124 59.686 59.686 59.335 0.351 19302 6945 1 9 . 1 1 124 124 GLU CB C 124 29.943 29.943 28.380 1.563 19302 6946 1 9 . 1 1 124 124 GLU H H 124 7.729 7.729 7.905 -0.176 19302 6947 1 9 . 1 1 125 125 ALA N N 125 121.208 121.208 123.227 -2.019 19302 6948 1 9 . 1 1 125 125 ALA HA H 125 3.827 3.827 3.914 -0.087 19302 6949 1 9 . 1 1 125 125 ALA C C 125 178.068 178.068 179.592 -1.524 19302 6950 1 9 . 1 1 125 125 ALA CA C 125 54.330 54.330 55.636 -1.306 19302 6951 1 9 . 1 1 125 125 ALA CB C 125 19.232 19.232 18.445 0.787 19302 6952 1 9 . 1 1 125 125 ALA H H 125 8.083 8.083 7.727 0.356 19302 6953 1 9 . 1 1 126 126 SER N N 126 114.095 114.095 114.916 -0.821 19302 6954 1 9 . 1 1 126 126 SER HA H 126 3.527 3.527 4.111 -0.584 19302 6955 1 9 . 1 1 126 126 SER C C 126 175.129 175.129 176.896 -1.767 19302 6956 1 9 . 1 1 126 126 SER CA C 126 62.161 62.161 61.513 0.648 19302 6957 1 9 . 1 1 126 126 SER CB C 126 69.705 69.705 62.180 7.525 19302 6958 1 9 . 1 1 126 126 SER H H 126 7.975 7.975 7.927 0.048 19302 6959 1 9 . 1 1 127 127 CYS N N 127 119.210 119.210 120.586 -1.376 19302 6960 1 9 . 1 1 127 127 CYS HA H 127 3.819 3.819 4.317 -0.498 19302 6961 1 9 . 1 1 127 127 CYS C C 127 177.016 177.016 176.916 0.100 19302 6962 1 9 . 1 1 127 127 CYS CA C 127 62.351 62.351 62.977 -0.626 19302 6963 1 9 . 1 1 127 127 CYS CB C 127 26.714 26.714 27.108 -0.394 19302 6964 1 9 . 1 1 127 127 CYS H H 127 6.869 6.869 8.434 -1.565 19302 6965 1 9 . 1 1 128 128 LEU N N 128 122.342 122.342 121.573 0.769 19302 6966 1 9 . 1 1 128 128 LEU HA H 128 3.947 3.947 4.142 -0.195 19302 6967 1 9 . 1 1 128 128 LEU C C 128 178.010 178.010 178.592 -0.582 19302 6968 1 9 . 1 1 128 128 LEU CA C 128 57.860 57.860 57.690 0.170 19302 6969 1 9 . 1 1 128 128 LEU CB C 128 41.951 41.951 42.400 -0.449 19302 6970 1 9 . 1 1 128 128 LEU H H 128 7.527 7.527 8.611 -1.084 19302 6971 1 9 . 1 1 129 129 VAL N N 129 119.021 119.021 119.057 -0.036 19302 6972 1 9 . 1 1 129 129 VAL HA H 129 3.035 3.035 3.773 -0.738 19302 6973 1 9 . 1 1 129 129 VAL C C 129 177.035 177.035 177.764 -0.729 19302 6974 1 9 . 1 1 129 129 VAL CA C 129 67.656 67.656 66.299 1.357 19302 6975 1 9 . 1 1 129 129 VAL CB C 129 30.898 30.898 31.739 -0.841 19302 6976 1 9 . 1 1 129 129 VAL H H 129 8.360 8.360 8.734 -0.374 19302 6977 1 9 . 1 1 130 130 ILE N N 130 117.913 117.913 120.155 -2.242 19302 6978 1 9 . 1 1 130 130 ILE HA H 130 3.292 3.292 3.604 -0.312 19302 6979 1 9 . 1 1 130 130 ILE C C 130 177.834 177.834 177.515 0.319 19302 6980 1 9 . 1 1 130 130 ILE CA C 130 64.592 64.592 65.279 -0.687 19302 6981 1 9 . 1 1 130 130 ILE CB C 130 36.970 36.970 37.669 -0.699 19302 6982 1 9 . 1 1 130 130 ILE H H 130 7.331 7.331 7.781 -0.450 19302 6983 1 9 . 1 1 131 131 GLN N N 131 120.359 120.359 119.587 0.772 19302 6984 1 9 . 1 1 131 131 GLN HA H 131 3.846 3.846 3.958 -0.112 19302 6985 1 9 . 1 1 131 131 GLN C C 131 178.708 178.708 178.010 0.698 19302 6986 1 9 . 1 1 131 131 GLN CA C 131 59.310 59.310 58.936 0.374 19302 6987 1 9 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.468 -0.366 19302 6988 1 9 . 1 1 131 131 GLN H H 131 7.505 7.505 7.932 -0.427 19302 6989 1 9 . 1 1 132 132 LEU N N 132 120.310 120.310 120.254 0.056 19302 6990 1 9 . 1 1 132 132 LEU HA H 132 3.848 3.848 4.114 -0.266 19302 6991 1 9 . 1 1 132 132 LEU C C 132 179.854 179.854 178.435 1.419 19302 6992 1 9 . 1 1 132 132 LEU CA C 132 57.975 57.975 57.669 0.306 19302 6993 1 9 . 1 1 132 132 LEU CB C 132 41.902 41.902 42.035 -0.133 19302 6994 1 9 . 1 1 132 132 LEU H H 132 8.270 8.270 7.428 0.842 19302 6995 1 9 . 1 1 133 133 VAL N N 133 120.909 120.909 118.796 2.113 19302 6996 1 9 . 1 1 133 133 VAL HA H 133 4.004 4.004 3.431 0.573 19302 6997 1 9 . 1 1 133 133 VAL C C 133 178.791 178.791 178.554 0.237 19302 6998 1 9 . 1 1 133 133 VAL CA C 133 58.026 58.026 66.540 -8.514 19302 6999 1 9 . 1 1 133 133 VAL CB C 133 32.475 32.475 31.443 1.032 19302 7000 1 9 . 1 1 133 133 VAL H H 133 8.162 8.162 7.464 0.698 19302 7001 1 9 . 1 1 134 134 GLN N N 134 120.073 120.073 120.140 -0.067 19302 7002 1 9 . 1 1 134 134 GLN HA H 134 3.943 3.943 3.900 0.043 19302 7003 1 9 . 1 1 134 134 GLN C C 134 178.374 178.374 177.902 0.472 19302 7004 1 9 . 1 1 134 134 GLN CA C 134 57.164 57.164 59.649 -2.485 19302 7005 1 9 . 1 1 134 134 GLN CB C 134 29.632 29.632 28.468 1.164 19302 7006 1 9 . 1 1 134 134 GLN H H 134 7.837 7.837 8.721 -0.884 19302 7007 1 9 . 1 1 135 135 GLU N N 135 118.639 118.639 118.423 0.216 19302 7008 1 9 . 1 1 135 135 GLU HA H 135 3.902 3.902 4.064 -0.162 19302 7009 1 9 . 1 1 135 135 GLU C C 135 177.986 177.986 178.753 -0.767 19302 7010 1 9 . 1 1 135 135 GLU CA C 135 58.266 58.266 58.727 -0.461 19302 7011 1 9 . 1 1 135 135 GLU CB C 135 29.593 29.593 29.434 0.159 19302 7012 1 9 . 1 1 135 135 GLU H H 135 7.989 7.989 7.670 0.319 19302 7013 1 9 . 1 1 136 136 GLN N N 136 118.352 118.352 116.361 1.991 19302 7014 1 9 . 1 1 136 136 GLN HA H 136 3.994 3.994 4.278 -0.284 19302 7015 1 9 . 1 1 136 136 GLN C C 136 176.807 176.807 177.465 -0.658 19302 7016 1 9 . 1 1 136 136 GLN CA C 136 56.762 56.762 57.696 -0.934 19302 7017 1 9 . 1 1 136 136 GLN CB C 136 28.835 28.835 29.378 -0.544 19302 7018 1 9 . 1 1 136 136 GLN H H 136 7.845 7.845 7.731 0.114 19302 7019 1 9 . 1 1 137 137 THR N N 137 113.953 113.953 114.965 -1.012 19302 7020 1 9 . 1 1 137 137 THR HA H 137 4.163 4.163 4.276 -0.113 19302 7021 1 9 . 1 1 137 137 THR C C 137 174.267 174.267 174.295 -0.028 19302 7022 1 9 . 1 1 137 137 THR CA C 137 64.611 64.611 63.619 0.992 19302 7023 1 9 . 1 1 137 137 THR CB C 137 69.280 69.280 69.559 -0.279 19302 7024 1 9 . 1 1 137 137 THR H H 137 7.847 7.847 7.904 -0.057 19302 7025 1 9 . 1 1 138 138 LYS N N 138 122.289 122.289 123.038 -0.749 19302 7026 1 9 . 1 1 138 138 LYS C C 138 176.119 176.119 176.346 -0.227 19302 7027 1 9 . 1 1 138 138 LYS CA C 138 56.329 56.329 57.472 -1.143 19302 7028 1 9 . 1 1 138 138 LYS CB C 138 32.891 32.891 33.315 -0.424 19302 7029 1 9 . 1 1 138 138 LYS H H 138 7.607 7.607 7.804 -0.197 19302 7030 1 10 . 1 1 2 2 GLU N N 2 123.078 123.078 123.381 -0.303 19302 7031 1 10 . 1 1 2 2 GLU HA H 2 4.160 4.160 4.471 -0.311 19302 7032 1 10 . 1 1 2 2 GLU C C 2 175.765 175.765 176.418 -0.653 19302 7033 1 10 . 1 1 2 2 GLU CA C 2 56.353 56.353 56.443 -0.090 19302 7034 1 10 . 1 1 2 2 GLU CB C 2 30.041 30.041 30.309 -0.268 19302 7035 1 10 . 1 1 2 2 GLU H H 2 8.313 8.313 8.417 -0.104 19302 7036 1 10 . 1 1 3 3 LYS N N 3 124.091 124.091 125.276 -1.185 19302 7037 1 10 . 1 1 3 3 LYS HA H 3 4.013 4.013 4.436 -0.423 19302 7038 1 10 . 1 1 3 3 LYS C C 3 174.713 174.713 176.555 -1.842 19302 7039 1 10 . 1 1 3 3 LYS CA C 3 56.240 56.240 56.620 -0.379 19302 7040 1 10 . 1 1 3 3 LYS CB C 3 33.400 33.400 33.668 -0.268 19302 7041 1 10 . 1 1 3 3 LYS H H 3 8.243 8.243 8.975 -0.732 19302 7042 1 10 . 1 1 4 4 ASN N N 4 121.184 121.184 113.763 7.421 19302 7043 1 10 . 1 1 4 4 ASN C C 4 172.940 172.940 173.092 -0.152 19302 7044 1 10 . 1 1 4 4 ASN CA C 4 50.404 50.404 53.801 -3.397 19302 7045 1 10 . 1 1 4 4 ASN CB C 4 41.212 41.212 37.932 3.280 19302 7046 1 10 . 1 1 4 4 ASN H H 4 8.086 8.086 8.384 -0.298 19302 7047 1 10 . 1 1 6 6 PRO HA H 6 4.222 4.222 4.278 -0.056 19302 7048 1 10 . 1 1 6 6 PRO C C 6 176.390 176.390 175.776 0.614 19302 7049 1 10 . 1 1 6 6 PRO CA C 6 63.267 63.267 64.306 -1.039 19302 7050 1 10 . 1 1 6 6 PRO CB C 6 32.008 32.008 31.309 0.699 19302 7051 1 10 . 1 1 7 7 ASP N N 7 120.412 120.412 123.275 -2.863 19302 7052 1 10 . 1 1 7 7 ASP HA H 7 4.402 4.402 4.604 -0.202 19302 7053 1 10 . 1 1 7 7 ASP C C 7 175.911 175.911 175.518 0.393 19302 7054 1 10 . 1 1 7 7 ASP CA C 7 54.248 54.248 53.073 1.175 19302 7055 1 10 . 1 1 7 7 ASP CB C 7 41.210 41.210 40.778 0.432 19302 7056 1 10 . 1 1 7 7 ASP H H 7 8.175 8.175 7.949 0.226 19302 7057 1 10 . 1 1 8 8 ASP N N 8 121.448 121.448 119.209 2.239 19302 7058 1 10 . 1 1 8 8 ASP HA H 8 4.554 4.554 4.214 0.340 19302 7059 1 10 . 1 1 8 8 ASP C C 8 176.334 176.334 176.377 -0.043 19302 7060 1 10 . 1 1 8 8 ASP CA C 8 54.240 54.240 56.640 -2.400 19302 7061 1 10 . 1 1 8 8 ASP CB C 8 41.354 41.354 39.865 1.489 19302 7062 1 10 . 1 1 8 8 ASP H H 8 8.080 8.080 8.486 -0.406 19302 7063 1 10 . 1 1 9 9 THR N N 9 114.376 114.376 115.973 -1.597 19302 7064 1 10 . 1 1 9 9 THR HA H 9 4.170 4.170 3.992 0.178 19302 7065 1 10 . 1 1 9 9 THR C C 9 174.565 174.565 174.064 0.501 19302 7066 1 10 . 1 1 9 9 THR CA C 9 62.018 62.018 63.955 -1.937 19302 7067 1 10 . 1 1 9 9 THR CB C 9 69.655 69.655 67.872 1.783 19302 7068 1 10 . 1 1 9 9 THR H H 9 7.982 7.982 8.339 -0.357 19302 7069 1 10 . 1 1 10 10 GLY N N 10 111.726 111.726 107.758 3.968 19302 7070 1 10 . 1 1 10 10 GLY C C 10 171.287 171.287 172.484 -1.197 19302 7071 1 10 . 1 1 10 10 GLY CA C 10 44.627 44.627 44.564 0.063 19302 7072 1 10 . 1 1 10 10 GLY H H 10 8.051 8.051 7.983 0.068 19302 7073 1 10 . 1 1 11 11 PRO HA H 11 4.298 4.298 4.764 -0.466 19302 7074 1 10 . 1 1 11 11 PRO C C 11 176.417 176.417 175.981 0.436 19302 7075 1 10 . 1 1 11 11 PRO CA C 11 63.173 63.173 62.762 0.411 19302 7076 1 10 . 1 1 11 11 PRO CB C 11 32.419 32.419 32.956 -0.537 19302 7077 1 10 . 1 1 12 12 VAL N N 12 120.990 120.990 122.958 -1.968 19302 7078 1 10 . 1 1 12 12 VAL HA H 12 3.757 3.757 4.066 -0.309 19302 7079 1 10 . 1 1 12 12 VAL C C 12 174.604 174.604 176.590 -1.986 19302 7080 1 10 . 1 1 12 12 VAL CA C 12 61.747 61.747 63.434 -1.687 19302 7081 1 10 . 1 1 12 12 VAL CB C 12 33.506 33.506 32.275 1.231 19302 7082 1 10 . 1 1 12 12 VAL H H 12 7.667 7.667 8.556 -0.889 19302 7083 1 10 . 1 1 13 13 HIS N N 13 123.020 123.020 119.586 3.434 19302 7084 1 10 . 1 1 13 13 HIS HA H 13 4.387 4.387 4.680 -0.293 19302 7085 1 10 . 1 1 13 13 HIS C C 13 173.601 173.601 174.201 -0.600 19302 7086 1 10 . 1 1 13 13 HIS CA C 13 55.731 55.731 56.407 -0.676 19302 7087 1 10 . 1 1 13 13 HIS CB C 13 30.039 30.039 30.302 -0.263 19302 7088 1 10 . 1 1 13 13 HIS H H 13 8.088 8.088 8.170 -0.082 19302 7089 1 10 . 1 1 14 14 VAL N N 14 126.633 126.633 115.447 11.186 19302 7090 1 10 . 1 1 14 14 VAL HA H 14 3.941 3.941 4.556 -0.615 19302 7091 1 10 . 1 1 14 14 VAL C C 14 173.591 173.591 174.297 -0.706 19302 7092 1 10 . 1 1 14 14 VAL CA C 14 59.095 59.095 59.250 -0.155 19302 7093 1 10 . 1 1 14 14 VAL CB C 14 32.976 32.976 31.617 1.359 19302 7094 1 10 . 1 1 14 14 VAL H H 14 8.128 8.128 7.620 0.508 19302 7095 1 10 . 1 1 15 15 PRO HA H 15 4.042 4.042 4.419 -0.377 19302 7096 1 10 . 1 1 15 15 PRO C C 15 175.581 175.581 176.768 -1.187 19302 7097 1 10 . 1 1 15 15 PRO CA C 15 62.314 62.314 63.859 -1.545 19302 7098 1 10 . 1 1 15 15 PRO CB C 15 31.352 31.352 32.211 -0.859 19302 7099 1 10 . 1 1 16 16 LEU N N 16 122.170 122.170 120.271 1.899 19302 7100 1 10 . 1 1 16 16 LEU HA H 16 4.073 4.073 4.400 -0.327 19302 7101 1 10 . 1 1 16 16 LEU C C 16 180.683 180.683 176.235 4.448 19302 7102 1 10 . 1 1 16 16 LEU CA C 16 56.442 56.442 54.939 1.503 19302 7103 1 10 . 1 1 16 16 LEU CB C 16 41.855 41.855 43.252 -1.397 19302 7104 1 10 . 1 1 16 16 LEU H H 16 8.070 8.070 7.683 0.387 19302 7105 1 10 . 1 1 17 17 GLY N N 17 114.931 114.931 110.955 3.976 19302 7106 1 10 . 1 1 17 17 GLY C C 17 173.075 173.075 173.086 -0.011 19302 7107 1 10 . 1 1 17 17 GLY CA C 17 45.757 45.757 45.239 0.518 19302 7108 1 10 . 1 1 17 17 GLY H H 17 9.325 9.325 7.893 1.432 19302 7109 1 10 . 1 1 18 18 HIS N N 18 117.638 117.638 117.771 -0.133 19302 7110 1 10 . 1 1 18 18 HIS HA H 18 5.386 5.386 4.950 0.436 19302 7111 1 10 . 1 1 18 18 HIS C C 18 173.186 173.186 174.062 -0.876 19302 7112 1 10 . 1 1 18 18 HIS CA C 18 54.007 54.007 53.809 0.198 19302 7113 1 10 . 1 1 18 18 HIS CB C 18 31.691 31.691 32.240 -0.549 19302 7114 1 10 . 1 1 18 18 HIS H H 18 7.803 7.803 7.131 0.672 19302 7115 1 10 . 1 1 19 19 ILE N N 19 114.669 114.669 120.272 -5.603 19302 7116 1 10 . 1 1 19 19 ILE HA H 19 4.372 4.372 4.282 0.090 19302 7117 1 10 . 1 1 19 19 ILE C C 19 174.449 174.449 174.661 -0.212 19302 7118 1 10 . 1 1 19 19 ILE CA C 19 60.368 60.368 60.442 -0.074 19302 7119 1 10 . 1 1 19 19 ILE CB C 19 42.044 42.044 41.360 0.684 19302 7120 1 10 . 1 1 19 19 ILE H H 19 8.059 8.059 8.318 -0.259 19302 7121 1 10 . 1 1 20 20 VAL N N 20 124.211 124.211 124.363 -0.152 19302 7122 1 10 . 1 1 20 20 VAL HA H 20 4.730 4.730 5.048 -0.318 19302 7123 1 10 . 1 1 20 20 VAL C C 20 174.104 174.104 175.035 -0.931 19302 7124 1 10 . 1 1 20 20 VAL CA C 20 61.322 61.322 60.363 0.959 19302 7125 1 10 . 1 1 20 20 VAL CB C 20 33.255 33.255 32.743 0.512 19302 7126 1 10 . 1 1 20 20 VAL H H 20 7.525 7.525 8.138 -0.613 19302 7127 1 10 . 1 1 21 21 ALA N N 21 131.125 131.125 130.619 0.506 19302 7128 1 10 . 1 1 21 21 ALA HA H 21 5.095 5.095 5.370 -0.275 19302 7129 1 10 . 1 1 21 21 ALA C C 21 175.389 175.389 175.917 -0.528 19302 7130 1 10 . 1 1 21 21 ALA CA C 21 49.175 49.175 49.340 -0.165 19302 7131 1 10 . 1 1 21 21 ALA CB C 21 24.297 24.297 22.420 1.877 19302 7132 1 10 . 1 1 21 21 ALA H H 21 9.395 9.395 9.276 0.119 19302 7133 1 10 . 1 1 22 22 ASN N N 22 120.999 120.999 120.299 0.700 19302 7134 1 10 . 1 1 22 22 ASN HA H 22 4.805 4.805 4.917 -0.112 19302 7135 1 10 . 1 1 22 22 ASN C C 22 176.336 176.336 176.072 0.264 19302 7136 1 10 . 1 1 22 22 ASN CA C 22 54.289 54.289 52.969 1.320 19302 7137 1 10 . 1 1 22 22 ASN CB C 22 39.822 39.822 40.228 -0.406 19302 7138 1 10 . 1 1 22 22 ASN H H 22 8.345 8.345 8.027 0.318 19302 7139 1 10 . 1 1 23 23 GLU N N 23 128.726 128.726 124.663 4.063 19302 7140 1 10 . 1 1 23 23 GLU HA H 23 3.927 3.927 3.970 -0.043 19302 7141 1 10 . 1 1 23 23 GLU C C 23 176.348 176.348 177.722 -1.374 19302 7142 1 10 . 1 1 23 23 GLU CA C 23 59.171 59.171 60.300 -1.129 19302 7143 1 10 . 1 1 23 23 GLU CB C 23 30.365 30.365 29.849 0.516 19302 7144 1 10 . 1 1 23 23 GLU H H 23 7.951 7.951 8.308 -0.357 19302 7145 1 10 . 1 1 24 24 LYS N N 24 119.166 119.166 118.965 0.201 19302 7146 1 10 . 1 1 24 24 LYS HA H 24 3.895 3.895 4.203 -0.308 19302 7147 1 10 . 1 1 24 24 LYS C C 24 176.782 176.782 177.658 -0.876 19302 7148 1 10 . 1 1 24 24 LYS CA C 24 58.379 58.379 58.771 -0.392 19302 7149 1 10 . 1 1 24 24 LYS CB C 24 30.846 30.846 32.365 -1.519 19302 7150 1 10 . 1 1 24 24 LYS H H 24 8.583 8.583 8.264 0.319 19302 7151 1 10 . 1 1 25 25 TRP N N 25 118.053 118.053 118.343 -0.290 19302 7152 1 10 . 1 1 25 25 TRP HA H 25 4.326 4.326 4.545 -0.219 19302 7153 1 10 . 1 1 25 25 TRP C C 25 177.280 177.280 175.985 1.295 19302 7154 1 10 . 1 1 25 25 TRP CA C 25 56.722 56.722 57.394 -0.672 19302 7155 1 10 . 1 1 25 25 TRP CB C 25 29.506 29.506 28.663 0.843 19302 7156 1 10 . 1 1 25 25 TRP H H 25 8.169 8.169 8.390 -0.221 19302 7157 1 10 . 1 1 26 26 ARG N N 26 127.838 127.838 120.669 7.169 19302 7158 1 10 . 1 1 26 26 ARG HA H 26 3.302 3.302 4.321 -1.019 19302 7159 1 10 . 1 1 26 26 ARG C C 26 177.506 177.506 177.861 -0.355 19302 7160 1 10 . 1 1 26 26 ARG CA C 26 59.147 59.147 58.492 0.655 19302 7161 1 10 . 1 1 26 26 ARG CB C 26 29.305 29.305 30.501 -1.196 19302 7162 1 10 . 1 1 26 26 ARG H H 26 7.879 7.879 7.402 0.477 19302 7163 1 10 . 1 1 27 27 GLY N N 27 116.455 116.455 109.086 7.369 19302 7164 1 10 . 1 1 27 27 GLY C C 27 174.037 174.037 173.489 0.548 19302 7165 1 10 . 1 1 27 27 GLY CA C 27 45.513 45.513 44.675 0.839 19302 7166 1 10 . 1 1 27 27 GLY H H 27 8.968 8.968 8.485 0.483 19302 7167 1 10 . 1 1 28 28 SER N N 28 115.316 115.316 115.121 0.195 19302 7168 1 10 . 1 1 28 28 SER HA H 28 4.357 4.357 4.434 -0.077 19302 7169 1 10 . 1 1 28 28 SER C C 28 174.705 174.705 175.042 -0.337 19302 7170 1 10 . 1 1 28 28 SER CA C 28 58.055 58.055 55.917 2.138 19302 7171 1 10 . 1 1 28 28 SER CB C 28 65.852 65.852 64.826 1.026 19302 7172 1 10 . 1 1 28 28 SER H H 28 7.718 7.718 7.756 -0.038 19302 7173 1 10 . 1 1 29 29 GLN N N 29 124.252 124.252 123.149 1.103 19302 7174 1 10 . 1 1 29 29 GLN HA H 29 3.940 3.940 3.895 0.045 19302 7175 1 10 . 1 1 29 29 GLN C C 29 178.221 178.221 177.708 0.513 19302 7176 1 10 . 1 1 29 29 GLN CA C 29 59.678 59.678 59.088 0.590 19302 7177 1 10 . 1 1 29 29 GLN CB C 29 27.932 27.932 28.179 -0.247 19302 7178 1 10 . 1 1 29 29 GLN H H 29 8.987 8.987 8.805 0.182 19302 7179 1 10 . 1 1 30 30 LEU N N 30 119.516 119.516 119.963 -0.447 19302 7180 1 10 . 1 1 30 30 LEU HA H 30 3.649 3.649 4.055 -0.406 19302 7181 1 10 . 1 1 30 30 LEU C C 30 177.674 177.674 178.722 -1.048 19302 7182 1 10 . 1 1 30 30 LEU CA C 30 59.240 59.240 57.777 1.463 19302 7183 1 10 . 1 1 30 30 LEU CB C 30 42.377 42.377 41.233 1.145 19302 7184 1 10 . 1 1 30 30 LEU H H 30 8.469 8.469 7.888 0.581 19302 7185 1 10 . 1 1 31 31 ALA N N 31 118.887 118.887 119.717 -0.830 19302 7186 1 10 . 1 1 31 31 ALA HA H 31 3.787 3.787 3.919 -0.132 19302 7187 1 10 . 1 1 31 31 ALA C C 31 179.914 179.914 179.879 0.035 19302 7188 1 10 . 1 1 31 31 ALA CA C 31 55.346 55.346 54.670 0.676 19302 7189 1 10 . 1 1 31 31 ALA CB C 31 18.725 18.725 18.306 0.419 19302 7190 1 10 . 1 1 31 31 ALA H H 31 7.965 7.965 7.642 0.323 19302 7191 1 10 . 1 1 32 32 GLN N N 32 119.187 119.187 118.414 0.773 19302 7192 1 10 . 1 1 32 32 GLN HA H 32 3.874 3.874 3.982 -0.108 19302 7193 1 10 . 1 1 32 32 GLN C C 32 179.160 179.160 178.643 0.517 19302 7194 1 10 . 1 1 32 32 GLN CA C 32 59.072 59.072 58.855 0.217 19302 7195 1 10 . 1 1 32 32 GLN CB C 32 28.676 28.676 28.658 0.018 19302 7196 1 10 . 1 1 32 32 GLN H H 32 8.292 8.292 7.798 0.494 19302 7197 1 10 . 1 1 33 33 GLU N N 33 117.845 117.845 119.181 -1.336 19302 7198 1 10 . 1 1 33 33 GLU HA H 33 3.932 3.932 4.113 -0.181 19302 7199 1 10 . 1 1 33 33 GLU C C 33 178.487 178.487 179.106 -0.619 19302 7200 1 10 . 1 1 33 33 GLU CA C 33 57.948 57.948 59.024 -1.076 19302 7201 1 10 . 1 1 33 33 GLU CB C 33 29.221 29.221 29.761 -0.540 19302 7202 1 10 . 1 1 33 33 GLU H H 33 8.157 8.157 7.626 0.531 19302 7203 1 10 . 1 1 34 34 MET N N 34 116.546 116.546 117.743 -1.197 19302 7204 1 10 . 1 1 34 34 MET HA H 34 3.911 3.911 4.055 -0.144 19302 7205 1 10 . 1 1 34 34 MET C C 34 176.992 176.992 178.159 -1.167 19302 7206 1 10 . 1 1 34 34 MET CA C 34 58.485 58.485 57.389 1.096 19302 7207 1 10 . 1 1 34 34 MET CB C 34 34.045 34.045 31.145 2.900 19302 7208 1 10 . 1 1 34 34 MET H H 34 7.452 7.452 7.726 -0.274 19302 7209 1 10 . 1 1 35 35 GLN N N 35 118.259 118.259 117.174 1.085 19302 7210 1 10 . 1 1 35 35 GLN HA H 35 4.219 4.219 4.585 -0.366 19302 7211 1 10 . 1 1 35 35 GLN C C 35 176.544 176.544 178.217 -1.673 19302 7212 1 10 . 1 1 35 35 GLN CA C 35 58.039 58.039 57.196 0.843 19302 7213 1 10 . 1 1 35 35 GLN CB C 35 28.381 28.381 28.683 -0.302 19302 7214 1 10 . 1 1 35 35 GLN H H 35 7.605 7.605 7.714 -0.109 19302 7215 1 10 . 1 1 36 36 GLY N N 36 110.354 110.354 105.455 4.899 19302 7216 1 10 . 1 1 36 36 GLY C C 36 174.291 174.291 174.043 0.248 19302 7217 1 10 . 1 1 36 36 GLY CA C 36 45.517 45.517 45.391 0.126 19302 7218 1 10 . 1 1 36 36 GLY H H 36 8.178 8.178 8.663 -0.485 19302 7219 1 10 . 1 1 37 37 LYS N N 37 119.406 119.406 119.010 0.396 19302 7220 1 10 . 1 1 37 37 LYS HA H 37 4.254 4.254 4.453 -0.199 19302 7221 1 10 . 1 1 37 37 LYS C C 37 175.387 175.387 175.841 -0.454 19302 7222 1 10 . 1 1 37 37 LYS CA C 37 57.173 57.173 56.521 0.652 19302 7223 1 10 . 1 1 37 37 LYS CB C 37 35.261 35.261 35.477 -0.216 19302 7224 1 10 . 1 1 37 37 LYS H H 37 7.837 7.837 7.604 0.233 19302 7225 1 10 . 1 1 38 38 ILE N N 38 118.201 118.201 120.383 -2.182 19302 7226 1 10 . 1 1 38 38 ILE HA H 38 4.138 4.138 4.373 -0.235 19302 7227 1 10 . 1 1 38 38 ILE C C 38 172.937 172.937 173.591 -0.654 19302 7228 1 10 . 1 1 38 38 ILE CA C 38 59.055 59.055 59.451 -0.396 19302 7229 1 10 . 1 1 38 38 ILE CB C 38 41.631 41.631 41.062 0.569 19302 7230 1 10 . 1 1 38 38 ILE H H 38 7.821 7.821 8.317 -0.496 19302 7231 1 10 . 1 1 39 39 LYS N N 39 122.826 122.826 122.460 0.366 19302 7232 1 10 . 1 1 39 39 LYS HA H 39 4.187 4.187 4.518 -0.331 19302 7233 1 10 . 1 1 39 39 LYS C C 39 174.751 174.751 174.619 0.132 19302 7234 1 10 . 1 1 39 39 LYS CA C 39 55.865 55.865 54.942 0.923 19302 7235 1 10 . 1 1 39 39 LYS CB C 39 33.007 33.007 33.638 -0.631 19302 7236 1 10 . 1 1 39 39 LYS H H 39 7.126 7.126 8.665 -1.539 19302 7237 1 10 . 1 1 40 40 LEU N N 40 124.298 124.298 122.042 2.256 19302 7238 1 10 . 1 1 40 40 LEU HA H 40 4.667 4.667 5.227 -0.560 19302 7239 1 10 . 1 1 40 40 LEU C C 40 176.473 176.473 175.882 0.591 19302 7240 1 10 . 1 1 40 40 LEU CA C 40 54.607 54.607 53.585 1.022 19302 7241 1 10 . 1 1 40 40 LEU CB C 40 44.102 44.102 45.943 -1.841 19302 7242 1 10 . 1 1 40 40 LEU H H 40 8.102 8.102 8.213 -0.111 19302 7243 1 10 . 1 1 41 41 ILE N N 41 124.128 124.128 121.939 2.189 19302 7244 1 10 . 1 1 41 41 ILE HA H 41 4.092 4.092 4.077 0.015 19302 7245 1 10 . 1 1 41 41 ILE C C 41 174.360 174.360 174.773 -0.413 19302 7246 1 10 . 1 1 41 41 ILE CA C 41 60.208 60.208 59.813 0.395 19302 7247 1 10 . 1 1 41 41 ILE CB C 41 40.867 40.867 40.327 0.540 19302 7248 1 10 . 1 1 41 41 ILE H H 41 8.208 8.208 9.103 -0.895 19302 7249 1 10 . 1 1 42 42 PHE N N 42 125.226 125.226 125.515 -0.289 19302 7250 1 10 . 1 1 42 42 PHE HA H 42 5.501 5.501 5.302 0.199 19302 7251 1 10 . 1 1 42 42 PHE C C 42 176.313 176.313 176.261 0.052 19302 7252 1 10 . 1 1 42 42 PHE CA C 42 57.720 57.720 56.778 0.942 19302 7253 1 10 . 1 1 42 42 PHE CB C 42 41.630 41.630 39.975 1.655 19302 7254 1 10 . 1 1 42 42 PHE H H 42 8.636 8.636 8.397 0.239 19302 7255 1 10 . 1 1 43 43 GLU N N 43 121.397 121.397 124.063 -2.666 19302 7256 1 10 . 1 1 43 43 GLU HA H 43 4.643 4.643 4.732 -0.089 19302 7257 1 10 . 1 1 43 43 GLU C C 43 175.211 175.211 175.280 -0.069 19302 7258 1 10 . 1 1 43 43 GLU CA C 43 55.131 55.131 54.925 0.206 19302 7259 1 10 . 1 1 43 43 GLU CB C 43 33.367 33.367 33.718 -0.351 19302 7260 1 10 . 1 1 43 43 GLU H H 43 8.589 8.589 9.066 -0.477 19302 7261 1 10 . 1 1 44 44 ASP N N 44 124.759 124.759 124.748 0.011 19302 7262 1 10 . 1 1 44 44 ASP HA H 44 4.708 4.708 4.614 0.094 19302 7263 1 10 . 1 1 44 44 ASP C C 44 177.308 177.308 176.770 0.538 19302 7264 1 10 . 1 1 44 44 ASP CA C 44 53.737 53.737 54.868 -1.131 19302 7265 1 10 . 1 1 44 44 ASP CB C 44 42.365 42.365 41.258 1.107 19302 7266 1 10 . 1 1 44 44 ASP H H 44 8.729 8.729 8.636 0.093 19302 7267 1 10 . 1 1 45 45 GLY N N 45 108.414 108.414 109.683 -1.269 19302 7268 1 10 . 1 1 45 45 GLY C C 45 174.426 174.426 174.555 -0.129 19302 7269 1 10 . 1 1 45 45 GLY CA C 45 46.367 46.367 44.778 1.589 19302 7270 1 10 . 1 1 45 45 GLY H H 45 8.564 8.564 8.537 0.027 19302 7271 1 10 . 1 1 46 46 LEU N N 46 119.025 119.025 121.039 -2.014 19302 7272 1 10 . 1 1 46 46 LEU HA H 46 4.356 4.356 4.174 0.182 19302 7273 1 10 . 1 1 46 46 LEU C C 46 177.414 177.414 176.922 0.492 19302 7274 1 10 . 1 1 46 46 LEU CA C 46 54.189 54.189 55.730 -1.541 19302 7275 1 10 . 1 1 46 46 LEU CB C 46 43.853 43.853 42.352 1.501 19302 7276 1 10 . 1 1 46 46 LEU H H 46 7.130 7.130 7.771 -0.641 19302 7277 1 10 . 1 1 47 47 THR N N 47 117.926 117.926 117.501 0.425 19302 7278 1 10 . 1 1 47 47 THR HA H 47 4.326 4.326 4.476 -0.150 19302 7279 1 10 . 1 1 47 47 THR CA C 47 67.458 67.458 63.633 3.825 19302 7280 1 10 . 1 1 47 47 THR H H 47 9.042 9.042 8.557 0.485 19302 7281 1 10 . 1 1 48 48 PRO HA H 48 4.163 4.163 4.378 -0.215 19302 7282 1 10 . 1 1 48 48 PRO CA C 48 62.301 62.301 62.993 -0.693 19302 7283 1 10 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.389 -0.865 19302 7284 1 10 . 1 1 49 49 ASP N N 49 116.671 116.671 118.028 -1.357 19302 7285 1 10 . 1 1 49 49 ASP HA H 49 4.336 4.336 4.443 -0.107 19302 7286 1 10 . 1 1 49 49 ASP C C 49 174.082 174.082 175.570 -1.488 19302 7287 1 10 . 1 1 49 49 ASP CA C 49 58.985 58.985 56.783 2.202 19302 7288 1 10 . 1 1 49 49 ASP CB C 49 43.773 43.773 42.514 1.259 19302 7289 1 10 . 1 1 49 49 ASP H H 49 7.731 7.731 8.098 -0.367 19302 7290 1 10 . 1 1 50 50 PHE N N 50 109.227 109.227 116.055 -6.828 19302 7291 1 10 . 1 1 50 50 PHE HA H 50 5.488 5.488 5.555 -0.067 19302 7292 1 10 . 1 1 50 50 PHE C C 50 175.293 175.293 174.635 0.658 19302 7293 1 10 . 1 1 50 50 PHE CA C 50 55.516 55.516 56.306 -0.791 19302 7294 1 10 . 1 1 50 50 PHE CB C 50 43.280 43.280 42.939 0.341 19302 7295 1 10 . 1 1 50 50 PHE H H 50 7.324 7.324 7.588 -0.264 19302 7296 1 10 . 1 1 51 51 TYR N N 51 122.688 122.688 122.010 0.678 19302 7297 1 10 . 1 1 51 51 TYR HA H 51 4.717 4.717 4.912 -0.195 19302 7298 1 10 . 1 1 51 51 TYR C C 51 174.427 174.427 174.938 -0.511 19302 7299 1 10 . 1 1 51 51 TYR CA C 51 59.097 59.097 57.645 1.452 19302 7300 1 10 . 1 1 51 51 TYR CB C 51 39.893 39.893 40.008 -0.115 19302 7301 1 10 . 1 1 51 51 TYR H H 51 9.944 9.944 9.426 0.518 19302 7302 1 10 . 1 1 52 52 LEU N N 52 121.948 121.948 127.668 -5.720 19302 7303 1 10 . 1 1 52 52 LEU HA H 52 4.231 4.231 4.414 -0.183 19302 7304 1 10 . 1 1 52 52 LEU C C 52 175.771 175.771 176.562 -0.791 19302 7305 1 10 . 1 1 52 52 LEU CA C 52 55.320 55.320 56.315 -0.995 19302 7306 1 10 . 1 1 52 52 LEU CB C 52 42.874 42.874 43.254 -0.380 19302 7307 1 10 . 1 1 52 52 LEU H H 52 8.225 8.225 8.319 -0.094 19302 7308 1 10 . 1 1 53 53 SER N N 53 111.729 111.729 110.757 0.972 19302 7309 1 10 . 1 1 53 53 SER HA H 53 4.267 4.267 4.693 -0.426 19302 7310 1 10 . 1 1 53 53 SER C C 53 173.134 173.134 172.796 0.338 19302 7311 1 10 . 1 1 53 53 SER CA C 53 56.843 56.843 57.601 -0.758 19302 7312 1 10 . 1 1 53 53 SER CB C 53 64.642 64.642 65.005 -0.363 19302 7313 1 10 . 1 1 53 53 SER H H 53 8.487 8.487 7.667 0.820 19302 7314 1 10 . 1 1 54 54 ASN N N 54 116.204 116.204 120.268 -4.064 19302 7315 1 10 . 1 1 54 54 ASN HA H 54 4.388 4.388 4.848 -0.460 19302 7316 1 10 . 1 1 54 54 ASN C C 54 175.095 175.095 175.173 -0.078 19302 7317 1 10 . 1 1 54 54 ASN CA C 54 55.905 55.905 54.735 1.170 19302 7318 1 10 . 1 1 54 54 ASN CB C 54 37.761 37.761 38.258 -0.497 19302 7319 1 10 . 1 1 54 54 ASN H H 54 8.682 8.682 8.717 -0.035 19302 7320 1 10 . 1 1 55 55 ARG N N 55 112.605 112.605 117.204 -4.599 19302 7321 1 10 . 1 1 55 55 ARG HA H 55 4.607 4.607 4.844 -0.237 19302 7322 1 10 . 1 1 55 55 ARG C C 55 175.506 175.506 174.628 0.878 19302 7323 1 10 . 1 1 55 55 ARG CA C 55 55.586 55.586 56.249 -0.663 19302 7324 1 10 . 1 1 55 55 ARG CB C 55 31.688 31.688 32.274 -0.586 19302 7325 1 10 . 1 1 55 55 ARG H H 55 7.783 7.783 7.422 0.361 19302 7326 1 10 . 1 1 56 56 CYS N N 56 122.261 122.261 116.761 5.500 19302 7327 1 10 . 1 1 56 56 CYS HA H 56 5.194 5.194 5.478 -0.284 19302 7328 1 10 . 1 1 56 56 CYS C C 56 172.619 172.619 172.626 -0.007 19302 7329 1 10 . 1 1 56 56 CYS CA C 56 58.099 58.099 57.301 0.798 19302 7330 1 10 . 1 1 56 56 CYS CB C 56 28.338 28.338 30.567 -2.229 19302 7331 1 10 . 1 1 56 56 CYS H H 56 7.379 7.379 8.482 -1.103 19302 7332 1 10 . 1 1 57 57 CYS N N 57 124.705 124.705 117.311 7.394 19302 7333 1 10 . 1 1 57 57 CYS HA H 57 5.380 5.380 5.006 0.374 19302 7334 1 10 . 1 1 57 57 CYS C C 57 160.640 160.640 172.287 -11.647 19302 7335 1 10 . 1 1 57 57 CYS CA C 57 54.521 54.521 55.516 -0.995 19302 7336 1 10 . 1 1 57 57 CYS CB C 57 32.506 32.506 31.252 1.254 19302 7337 1 10 . 1 1 57 57 CYS H H 57 8.980 8.980 9.000 -0.020 19302 7338 1 10 . 1 1 58 58 ILE N N 58 118.279 118.279 119.784 -1.505 19302 7339 1 10 . 1 1 58 58 ILE HA H 58 5.181 5.181 4.922 0.259 19302 7340 1 10 . 1 1 58 58 ILE C C 58 175.707 175.707 174.067 1.640 19302 7341 1 10 . 1 1 58 58 ILE CA C 58 58.535 58.535 59.862 -1.327 19302 7342 1 10 . 1 1 58 58 ILE CB C 58 41.538 41.538 42.851 -1.313 19302 7343 1 10 . 1 1 58 58 ILE H H 58 8.960 8.960 8.351 0.609 19302 7344 1 10 . 1 1 59 59 LEU N N 59 130.422 130.422 125.383 5.039 19302 7345 1 10 . 1 1 59 59 LEU HA H 59 4.716 4.716 4.869 -0.153 19302 7346 1 10 . 1 1 59 59 LEU C C 59 172.275 172.275 174.255 -1.980 19302 7347 1 10 . 1 1 59 59 LEU CA C 59 53.756 53.756 53.526 0.230 19302 7348 1 10 . 1 1 59 59 LEU CB C 59 42.530 42.530 45.876 -3.346 19302 7349 1 10 . 1 1 59 59 LEU H H 59 9.078 9.078 8.401 0.677 19302 7350 1 10 . 1 1 60 60 TYR N N 60 129.820 129.820 128.059 1.761 19302 7351 1 10 . 1 1 60 60 TYR HA H 60 5.110 5.110 4.660 0.450 19302 7352 1 10 . 1 1 60 60 TYR C C 60 174.911 174.911 174.245 0.666 19302 7353 1 10 . 1 1 60 60 TYR CA C 60 56.689 56.689 57.936 -1.247 19302 7354 1 10 . 1 1 60 60 TYR CB C 60 41.643 41.643 38.634 3.009 19302 7355 1 10 . 1 1 60 60 TYR H H 60 10.120 10.120 8.814 1.306 19302 7356 1 10 . 1 1 61 61 VAL N N 61 132.504 132.504 127.744 4.760 19302 7357 1 10 . 1 1 61 61 VAL HA H 61 4.232 4.232 4.112 0.120 19302 7358 1 10 . 1 1 61 61 VAL C C 61 174.433 174.433 174.167 0.266 19302 7359 1 10 . 1 1 61 61 VAL CA C 61 61.641 61.641 60.279 1.362 19302 7360 1 10 . 1 1 61 61 VAL CB C 61 33.305 33.305 35.579 -2.274 19302 7361 1 10 . 1 1 61 61 VAL H H 61 8.903 8.903 8.753 0.150 19302 7362 1 10 . 1 1 62 62 THR N N 62 116.863 116.863 115.110 1.753 19302 7363 1 10 . 1 1 62 62 THR HA H 62 4.024 4.024 4.580 -0.556 19302 7364 1 10 . 1 1 62 62 THR C C 62 175.118 175.118 175.314 -0.196 19302 7365 1 10 . 1 1 62 62 THR CA C 62 60.650 60.650 59.381 1.269 19302 7366 1 10 . 1 1 62 62 THR CB C 62 72.134 72.134 71.823 0.311 19302 7367 1 10 . 1 1 62 62 THR H H 62 8.559 8.559 8.100 0.459 19302 7368 1 10 . 1 1 63 63 GLU N N 63 120.767 120.767 126.086 -5.319 19302 7369 1 10 . 1 1 63 63 GLU HA H 63 3.776 3.776 3.731 0.045 19302 7370 1 10 . 1 1 63 63 GLU C C 63 177.194 177.194 177.334 -0.140 19302 7371 1 10 . 1 1 63 63 GLU CA C 63 60.496 60.496 60.764 -0.268 19302 7372 1 10 . 1 1 63 63 GLU CB C 63 30.709 30.709 29.498 1.210 19302 7373 1 10 . 1 1 63 63 GLU H H 63 9.165 9.165 8.372 0.793 19302 7374 1 10 . 1 1 64 64 ALA N N 64 119.167 119.167 120.759 -1.592 19302 7375 1 10 . 1 1 64 64 ALA HA H 64 3.998 3.998 3.987 0.011 19302 7376 1 10 . 1 1 64 64 ALA C C 64 180.477 180.477 179.987 0.490 19302 7377 1 10 . 1 1 64 64 ALA CA C 64 54.912 54.912 54.860 0.052 19302 7378 1 10 . 1 1 64 64 ALA CB C 64 17.899 17.899 18.161 -0.262 19302 7379 1 10 . 1 1 64 64 ALA H H 64 7.919 7.919 8.434 -0.515 19302 7380 1 10 . 1 1 65 65 ASP N N 65 119.995 119.995 117.632 2.363 19302 7381 1 10 . 1 1 65 65 ASP HA H 65 4.026 4.026 4.281 -0.255 19302 7382 1 10 . 1 1 65 65 ASP C C 65 177.891 177.891 178.007 -0.116 19302 7383 1 10 . 1 1 65 65 ASP CA C 65 57.412 57.412 57.361 0.051 19302 7384 1 10 . 1 1 65 65 ASP CB C 65 41.112 41.112 40.535 0.577 19302 7385 1 10 . 1 1 65 65 ASP H H 65 7.851 7.851 8.523 -0.672 19302 7386 1 10 . 1 1 66 66 LEU N N 66 118.585 118.585 120.571 -1.986 19302 7387 1 10 . 1 1 66 66 LEU HA H 66 3.813 3.813 4.127 -0.314 19302 7388 1 10 . 1 1 66 66 LEU C C 66 178.892 178.892 177.867 1.025 19302 7389 1 10 . 1 1 66 66 LEU CA C 66 56.943 56.943 57.719 -0.777 19302 7390 1 10 . 1 1 66 66 LEU CB C 66 41.700 41.700 42.275 -0.575 19302 7391 1 10 . 1 1 66 66 LEU H H 66 7.210 7.210 7.690 -0.480 19302 7392 1 10 . 1 1 67 67 VAL N N 67 117.714 117.714 116.751 0.963 19302 7393 1 10 . 1 1 67 67 VAL HA H 67 3.088 3.088 3.749 -0.661 19302 7394 1 10 . 1 1 67 67 VAL C C 67 177.430 177.430 177.644 -0.214 19302 7395 1 10 . 1 1 67 67 VAL CA C 67 64.392 64.392 64.101 0.291 19302 7396 1 10 . 1 1 67 67 VAL CB C 67 31.974 31.974 31.747 0.227 19302 7397 1 10 . 1 1 67 67 VAL H H 67 7.774 7.774 7.834 -0.060 19302 7398 1 10 . 1 1 68 68 ALA N N 68 120.210 120.210 122.365 -2.155 19302 7399 1 10 . 1 1 68 68 ALA HA H 68 3.992 3.992 4.100 -0.108 19302 7400 1 10 . 1 1 68 68 ALA C C 68 178.127 178.127 177.675 0.452 19302 7401 1 10 . 1 1 68 68 ALA CA C 68 53.540 53.540 53.687 -0.147 19302 7402 1 10 . 1 1 68 68 ALA CB C 68 18.849 18.849 19.177 -0.328 19302 7403 1 10 . 1 1 68 68 ALA H H 68 7.336 7.336 7.192 0.144 19302 7404 1 10 . 1 1 69 69 GLY N N 69 106.149 106.149 107.960 -1.811 19302 7405 1 10 . 1 1 69 69 GLY C C 69 173.298 173.298 173.419 -0.121 19302 7406 1 10 . 1 1 69 69 GLY CA C 69 45.057 45.057 44.518 0.539 19302 7407 1 10 . 1 1 69 69 GLY H H 69 7.143 7.143 8.092 -0.949 19302 7408 1 10 . 1 1 70 70 ASN N N 70 118.879 118.879 120.497 -1.618 19302 7409 1 10 . 1 1 70 70 ASN HA H 70 4.855 4.855 4.465 0.390 19302 7410 1 10 . 1 1 70 70 ASN C C 70 177.766 177.766 176.038 1.728 19302 7411 1 10 . 1 1 70 70 ASN CA C 70 52.611 52.611 53.204 -0.593 19302 7412 1 10 . 1 1 70 70 ASN CB C 70 38.356 38.356 38.824 -0.468 19302 7413 1 10 . 1 1 70 70 ASN H H 70 8.316 8.316 8.345 -0.029 19302 7414 1 10 . 1 1 71 71 GLY N N 71 114.725 114.725 111.722 3.003 19302 7415 1 10 . 1 1 71 71 GLY C C 71 176.515 176.515 175.593 0.922 19302 7416 1 10 . 1 1 71 71 GLY CA C 71 47.575 47.575 45.423 2.152 19302 7417 1 10 . 1 1 71 71 GLY H H 71 8.812 8.812 8.660 0.152 19302 7418 1 10 . 1 1 72 72 TYR N N 72 118.594 118.594 124.298 -5.704 19302 7419 1 10 . 1 1 72 72 TYR HA H 72 4.182 4.182 3.971 0.211 19302 7420 1 10 . 1 1 72 72 TYR C C 72 176.205 176.205 176.977 -0.772 19302 7421 1 10 . 1 1 72 72 TYR CA C 72 59.287 59.287 62.399 -3.112 19302 7422 1 10 . 1 1 72 72 TYR CB C 72 37.305 37.305 38.591 -1.286 19302 7423 1 10 . 1 1 72 72 TYR H H 72 8.067 8.067 7.831 0.236 19302 7424 1 10 . 1 1 73 73 ARG N N 73 119.967 119.967 117.719 2.248 19302 7425 1 10 . 1 1 73 73 ARG HA H 73 3.261 3.261 3.866 -0.605 19302 7426 1 10 . 1 1 73 73 ARG C C 73 177.612 177.612 177.987 -0.375 19302 7427 1 10 . 1 1 73 73 ARG CA C 73 59.984 59.984 59.083 0.901 19302 7428 1 10 . 1 1 73 73 ARG CB C 73 29.286 29.286 29.770 -0.484 19302 7429 1 10 . 1 1 73 73 ARG H H 73 6.715 6.715 8.457 -1.742 19302 7430 1 10 . 1 1 74 74 LYS N N 74 116.928 116.928 118.126 -1.198 19302 7431 1 10 . 1 1 74 74 LYS HA H 74 3.728 3.728 4.017 -0.289 19302 7432 1 10 . 1 1 74 74 LYS C C 74 179.161 179.161 178.888 0.273 19302 7433 1 10 . 1 1 74 74 LYS CA C 74 59.770 59.770 59.230 0.540 19302 7434 1 10 . 1 1 74 74 LYS CB C 74 32.037 32.037 32.205 -0.168 19302 7435 1 10 . 1 1 74 74 LYS H H 74 7.169 7.169 7.937 -0.768 19302 7436 1 10 . 1 1 75 75 ARG N N 75 117.727 117.727 118.141 -0.414 19302 7437 1 10 . 1 1 75 75 ARG HA H 75 3.753 3.753 3.951 -0.198 19302 7438 1 10 . 1 1 75 75 ARG C C 75 177.176 177.176 178.259 -1.083 19302 7439 1 10 . 1 1 75 75 ARG CA C 75 59.596 59.596 58.653 0.943 19302 7440 1 10 . 1 1 75 75 ARG CB C 75 31.110 31.110 29.539 1.571 19302 7441 1 10 . 1 1 75 75 ARG H H 75 7.511 7.511 7.716 -0.205 19302 7442 1 10 . 1 1 76 76 LEU N N 76 118.105 118.105 118.614 -0.509 19302 7443 1 10 . 1 1 76 76 LEU HA H 76 3.575 3.575 4.116 -0.541 19302 7444 1 10 . 1 1 76 76 LEU C C 76 178.325 178.325 178.711 -0.386 19302 7445 1 10 . 1 1 76 76 LEU CA C 76 59.496 59.496 57.278 2.218 19302 7446 1 10 . 1 1 76 76 LEU CB C 76 41.124 41.124 42.304 -1.180 19302 7447 1 10 . 1 1 76 76 LEU H H 76 6.770 6.770 7.392 -0.622 19302 7448 1 10 . 1 1 77 77 VAL N N 77 117.854 117.854 120.552 -2.698 19302 7449 1 10 . 1 1 77 77 VAL HA H 77 3.243 3.243 3.596 -0.353 19302 7450 1 10 . 1 1 77 77 VAL C C 77 177.335 177.335 178.007 -0.672 19302 7451 1 10 . 1 1 77 77 VAL CA C 77 66.596 66.596 66.397 0.199 19302 7452 1 10 . 1 1 77 77 VAL CB C 77 31.703 31.703 31.000 0.703 19302 7453 1 10 . 1 1 77 77 VAL H H 77 7.800 7.800 7.662 0.138 19302 7454 1 10 . 1 1 78 78 ARG N N 78 118.783 118.783 119.751 -0.968 19302 7455 1 10 . 1 1 78 78 ARG HA H 78 3.872 3.872 4.003 -0.131 19302 7456 1 10 . 1 1 78 78 ARG C C 78 179.484 179.484 178.571 0.913 19302 7457 1 10 . 1 1 78 78 ARG CA C 78 59.337 59.337 58.999 0.338 19302 7458 1 10 . 1 1 78 78 ARG CB C 78 29.921 29.921 29.595 0.326 19302 7459 1 10 . 1 1 78 78 ARG H H 78 7.385 7.385 7.465 -0.080 19302 7460 1 10 . 1 1 79 79 VAL N N 79 118.747 118.747 117.640 1.107 19302 7461 1 10 . 1 1 79 79 VAL HA H 79 3.434 3.434 3.773 -0.339 19302 7462 1 10 . 1 1 79 79 VAL C C 79 177.902 177.902 177.219 0.683 19302 7463 1 10 . 1 1 79 79 VAL CA C 79 66.771 66.771 65.488 1.283 19302 7464 1 10 . 1 1 79 79 VAL CB C 79 31.327 31.327 31.351 -0.024 19302 7465 1 10 . 1 1 79 79 VAL H H 79 7.374 7.374 8.445 -1.071 19302 7466 1 10 . 1 1 80 80 ARG N N 80 122.868 122.868 119.095 3.773 19302 7467 1 10 . 1 1 80 80 ARG HA H 80 3.960 3.960 4.114 -0.154 19302 7468 1 10 . 1 1 80 80 ARG C C 80 177.893 177.893 178.008 -0.115 19302 7469 1 10 . 1 1 80 80 ARG CA C 80 58.256 58.256 58.070 0.186 19302 7470 1 10 . 1 1 80 80 ARG CB C 80 29.141 29.141 30.083 -0.942 19302 7471 1 10 . 1 1 80 80 ARG H H 80 8.268 8.268 7.709 0.559 19302 7472 1 10 . 1 1 81 81 ASN N N 81 115.469 115.469 118.313 -2.844 19302 7473 1 10 . 1 1 81 81 ASN HA H 81 4.528 4.528 4.514 0.014 19302 7474 1 10 . 1 1 81 81 ASN C C 81 175.329 175.329 176.859 -1.530 19302 7475 1 10 . 1 1 81 81 ASN CA C 81 53.553 53.553 55.648 -2.095 19302 7476 1 10 . 1 1 81 81 ASN CB C 81 38.358 38.358 38.452 -0.094 19302 7477 1 10 . 1 1 81 81 ASN H H 81 7.878 7.878 7.891 -0.013 19302 7478 1 10 . 1 1 82 82 SER N N 82 117.226 117.226 114.383 2.843 19302 7479 1 10 . 1 1 82 82 SER HA H 82 4.350 4.350 4.325 0.025 19302 7480 1 10 . 1 1 82 82 SER C C 82 175.243 175.243 174.763 0.480 19302 7481 1 10 . 1 1 82 82 SER CA C 82 59.045 59.045 60.090 -1.045 19302 7482 1 10 . 1 1 82 82 SER CB C 82 63.929 63.929 64.008 -0.079 19302 7483 1 10 . 1 1 82 82 SER H H 82 7.528 7.528 7.979 -0.451 19302 7484 1 10 . 1 1 83 83 ASN N N 83 121.059 121.059 116.897 4.162 19302 7485 1 10 . 1 1 83 83 ASN HA H 83 4.402 4.402 4.478 -0.076 19302 7486 1 10 . 1 1 83 83 ASN C C 83 175.260 175.260 173.865 1.395 19302 7487 1 10 . 1 1 83 83 ASN CA C 83 54.583 54.583 53.625 0.958 19302 7488 1 10 . 1 1 83 83 ASN CB C 83 38.909 38.909 37.533 1.376 19302 7489 1 10 . 1 1 83 83 ASN H H 83 8.348 8.348 8.477 -0.129 19302 7490 1 10 . 1 1 84 84 ASN N N 84 117.070 117.070 115.671 1.399 19302 7491 1 10 . 1 1 84 84 ASN HA H 84 4.422 4.422 4.814 -0.392 19302 7492 1 10 . 1 1 84 84 ASN C C 84 173.609 173.609 173.411 0.198 19302 7493 1 10 . 1 1 84 84 ASN CA C 84 53.753 53.753 53.183 0.570 19302 7494 1 10 . 1 1 84 84 ASN CB C 84 38.551 38.551 39.533 -0.982 19302 7495 1 10 . 1 1 84 84 ASN H H 84 8.466 8.466 8.631 -0.165 19302 7496 1 10 . 1 1 85 85 LEU N N 85 119.048 119.048 114.433 4.615 19302 7497 1 10 . 1 1 85 85 LEU HA H 85 4.518 4.518 4.812 -0.294 19302 7498 1 10 . 1 1 85 85 LEU C C 85 175.397 175.397 175.122 0.275 19302 7499 1 10 . 1 1 85 85 LEU CA C 85 54.094 54.094 54.320 -0.226 19302 7500 1 10 . 1 1 85 85 LEU CB C 85 44.902 44.902 45.672 -0.770 19302 7501 1 10 . 1 1 85 85 LEU H H 85 7.453 7.453 7.425 0.028 19302 7502 1 10 . 1 1 86 86 LYS N N 86 125.959 125.959 121.417 4.542 19302 7503 1 10 . 1 1 86 86 LYS HA H 86 4.397 4.397 4.359 0.038 19302 7504 1 10 . 1 1 86 86 LYS C C 86 175.209 175.209 176.639 -1.430 19302 7505 1 10 . 1 1 86 86 LYS CA C 86 54.934 54.934 55.899 -0.965 19302 7506 1 10 . 1 1 86 86 LYS CB C 86 33.581 33.581 32.222 1.359 19302 7507 1 10 . 1 1 86 86 LYS H H 86 8.242 8.242 8.769 -0.527 19302 7508 1 10 . 1 1 87 87 GLY N N 87 113.359 113.359 112.692 0.667 19302 7509 1 10 . 1 1 87 87 GLY C C 87 171.780 171.780 173.479 -1.699 19302 7510 1 10 . 1 1 87 87 GLY CA C 87 44.894 44.894 44.394 0.500 19302 7511 1 10 . 1 1 87 87 GLY H H 87 8.840 8.840 8.538 0.302 19302 7512 1 10 . 1 1 88 88 ILE N N 88 125.743 125.743 127.147 -1.404 19302 7513 1 10 . 1 1 88 88 ILE HA H 88 4.077 4.077 4.499 -0.422 19302 7514 1 10 . 1 1 88 88 ILE C C 88 174.254 174.254 175.255 -1.001 19302 7515 1 10 . 1 1 88 88 ILE CA C 88 60.766 60.766 61.681 -0.915 19302 7516 1 10 . 1 1 88 88 ILE CB C 88 40.483 40.483 39.115 1.368 19302 7517 1 10 . 1 1 88 88 ILE H H 88 8.411 8.411 8.873 -0.463 19302 7518 1 10 . 1 1 89 89 VAL N N 89 129.556 129.556 126.309 3.247 19302 7519 1 10 . 1 1 89 89 VAL HA H 89 4.762 4.762 4.431 0.331 19302 7520 1 10 . 1 1 89 89 VAL C C 89 174.205 174.205 174.620 -0.415 19302 7521 1 10 . 1 1 89 89 VAL CA C 89 61.224 61.224 60.664 0.560 19302 7522 1 10 . 1 1 89 89 VAL CB C 89 31.924 31.924 33.284 -1.360 19302 7523 1 10 . 1 1 89 89 VAL H H 89 8.859 8.859 8.947 -0.088 19302 7524 1 10 . 1 1 90 90 VAL N N 90 130.678 130.678 127.405 3.273 19302 7525 1 10 . 1 1 90 90 VAL HA H 90 4.804 4.804 4.709 0.095 19302 7526 1 10 . 1 1 90 90 VAL C C 90 173.650 173.650 174.717 -1.067 19302 7527 1 10 . 1 1 90 90 VAL CA C 90 60.478 60.478 60.409 0.069 19302 7528 1 10 . 1 1 90 90 VAL CB C 90 33.666 33.666 33.713 -0.047 19302 7529 1 10 . 1 1 90 90 VAL H H 90 8.747 8.747 9.156 -0.409 19302 7530 1 10 . 1 1 91 91 VAL N N 91 122.793 122.793 126.461 -3.668 19302 7531 1 10 . 1 1 91 91 VAL HA H 91 5.019 5.019 4.470 0.549 19302 7532 1 10 . 1 1 91 91 VAL C C 91 173.241 173.241 174.778 -1.537 19302 7533 1 10 . 1 1 91 91 VAL CA C 91 56.898 56.898 60.236 -3.338 19302 7534 1 10 . 1 1 91 91 VAL CB C 91 35.349 35.349 34.419 0.930 19302 7535 1 10 . 1 1 91 91 VAL H H 91 7.758 7.758 8.167 -0.409 19302 7536 1 10 . 1 1 92 92 GLU N N 92 125.925 125.925 125.672 0.253 19302 7537 1 10 . 1 1 92 92 GLU HA H 92 4.208 4.208 4.494 -0.286 19302 7538 1 10 . 1 1 92 92 GLU C C 92 173.665 173.665 174.941 -1.276 19302 7539 1 10 . 1 1 92 92 GLU CA C 92 55.740 55.740 54.304 1.436 19302 7540 1 10 . 1 1 92 92 GLU CB C 92 29.433 29.433 32.062 -2.629 19302 7541 1 10 . 1 1 92 92 GLU H H 92 7.501 7.501 8.460 -0.959 19302 7542 1 10 . 1 1 93 93 LYS N N 93 132.415 132.415 127.417 4.998 19302 7543 1 10 . 1 1 93 93 LYS HA H 93 4.033 4.033 4.190 -0.157 19302 7544 1 10 . 1 1 93 93 LYS C C 93 173.582 173.582 176.043 -2.461 19302 7545 1 10 . 1 1 93 93 LYS CA C 93 55.460 55.460 56.975 -1.515 19302 7546 1 10 . 1 1 93 93 LYS CB C 93 33.506 33.506 32.967 0.539 19302 7547 1 10 . 1 1 93 93 LYS H H 93 9.015 9.015 8.631 0.384 19302 7548 1 10 . 1 1 94 94 THR N N 94 118.315 118.315 117.130 1.185 19302 7549 1 10 . 1 1 94 94 THR HA H 94 4.600 4.600 4.577 0.023 19302 7550 1 10 . 1 1 94 94 THR C C 94 174.933 174.933 174.243 0.690 19302 7551 1 10 . 1 1 94 94 THR CA C 94 58.678 58.678 62.782 -4.104 19302 7552 1 10 . 1 1 94 94 THR CB C 94 72.561 72.561 70.591 1.970 19302 7553 1 10 . 1 1 94 94 THR H H 94 8.288 8.288 8.752 -0.464 19302 7554 1 10 . 1 1 95 95 ARG N N 95 119.684 119.684 120.131 -0.447 19302 7555 1 10 . 1 1 95 95 ARG HA H 95 3.960 3.960 4.485 -0.525 19302 7556 1 10 . 1 1 95 95 ARG C C 95 178.617 178.617 177.932 0.685 19302 7557 1 10 . 1 1 95 95 ARG CA C 95 59.240 59.240 57.557 1.683 19302 7558 1 10 . 1 1 95 95 ARG CB C 95 29.480 29.480 30.882 -1.402 19302 7559 1 10 . 1 1 95 95 ARG H H 95 8.719 8.719 8.093 0.626 19302 7560 1 10 . 1 1 96 96 MET N N 96 115.656 115.656 119.810 -4.154 19302 7561 1 10 . 1 1 96 96 MET HA H 96 4.332 4.332 4.514 -0.182 19302 7562 1 10 . 1 1 96 96 MET C C 96 177.312 177.312 176.775 0.537 19302 7563 1 10 . 1 1 96 96 MET CA C 96 56.615 56.615 55.388 1.227 19302 7564 1 10 . 1 1 96 96 MET CB C 96 32.723 32.723 31.146 1.577 19302 7565 1 10 . 1 1 96 96 MET H H 96 7.895 7.895 8.406 -0.511 19302 7566 1 10 . 1 1 97 97 SER N N 97 114.024 114.024 117.905 -3.881 19302 7567 1 10 . 1 1 97 97 SER HA H 97 4.648 4.648 4.126 0.522 19302 7568 1 10 . 1 1 97 97 SER C C 97 176.743 176.743 176.179 0.564 19302 7569 1 10 . 1 1 97 97 SER CA C 97 58.484 58.484 61.530 -3.046 19302 7570 1 10 . 1 1 97 97 SER CB C 97 65.103 65.103 61.962 3.141 19302 7571 1 10 . 1 1 97 97 SER H H 97 8.108 8.108 8.525 -0.417 19302 7572 1 10 . 1 1 98 98 GLU N N 98 124.701 124.701 119.677 5.024 19302 7573 1 10 . 1 1 98 98 GLU HA H 98 3.689 3.689 4.198 -0.509 19302 7574 1 10 . 1 1 98 98 GLU C C 98 178.994 178.994 178.031 0.963 19302 7575 1 10 . 1 1 98 98 GLU CA C 98 60.482 60.482 59.097 1.385 19302 7576 1 10 . 1 1 98 98 GLU CB C 98 29.096 29.096 28.844 0.252 19302 7577 1 10 . 1 1 98 98 GLU H H 98 8.229 8.229 8.843 -0.614 19302 7578 1 10 . 1 1 99 99 GLN N N 99 117.637 117.637 117.459 0.178 19302 7579 1 10 . 1 1 99 99 GLN HA H 99 4.008 4.008 4.290 -0.281 19302 7580 1 10 . 1 1 99 99 GLN C C 99 176.402 176.402 177.523 -1.121 19302 7581 1 10 . 1 1 99 99 GLN CA C 99 58.127 58.127 58.280 -0.153 19302 7582 1 10 . 1 1 99 99 GLN CB C 99 28.135 28.135 29.282 -1.147 19302 7583 1 10 . 1 1 99 99 GLN H H 99 8.464 8.464 8.047 0.417 19302 7584 1 10 . 1 1 100 100 TYR N N 100 118.538 118.538 117.232 1.306 19302 7585 1 10 . 1 1 100 100 TYR HA H 100 4.512 4.512 4.644 -0.132 19302 7586 1 10 . 1 1 100 100 TYR C C 100 176.132 176.132 176.184 -0.052 19302 7587 1 10 . 1 1 100 100 TYR CA C 100 58.029 58.029 57.491 0.538 19302 7588 1 10 . 1 1 100 100 TYR CB C 100 39.600 39.600 40.273 -0.673 19302 7589 1 10 . 1 1 100 100 TYR H H 100 7.688 7.688 8.580 -0.892 19302 7590 1 10 . 1 1 101 101 PHE N N 101 121.713 121.713 123.117 -1.404 19302 7591 1 10 . 1 1 101 101 PHE HA H 101 4.098 4.098 4.203 -0.105 19302 7592 1 10 . 1 1 101 101 PHE C C 101 173.115 173.115 174.206 -1.091 19302 7593 1 10 . 1 1 101 101 PHE CA C 101 63.389 63.389 62.709 0.680 19302 7594 1 10 . 1 1 101 101 PHE CB C 101 37.438 37.438 36.283 1.155 19302 7595 1 10 . 1 1 101 101 PHE H H 101 7.916 7.916 9.202 -1.286 19302 7596 1 10 . 1 1 102 102 PRO HA H 102 4.078 4.078 3.331 0.747 19302 7597 1 10 . 1 1 102 102 PRO C C 102 179.371 179.371 178.128 1.243 19302 7598 1 10 . 1 1 102 102 PRO CA C 102 67.173 67.173 64.940 2.233 19302 7599 1 10 . 1 1 102 102 PRO CB C 102 30.497 30.497 30.483 0.014 19302 7600 1 10 . 1 1 103 103 ALA N N 103 119.259 119.259 119.163 0.096 19302 7601 1 10 . 1 1 103 103 ALA HA H 103 4.043 4.043 3.804 0.239 19302 7602 1 10 . 1 1 103 103 ALA C C 103 180.693 180.693 179.613 1.080 19302 7603 1 10 . 1 1 103 103 ALA CA C 103 54.322 54.322 54.309 0.013 19302 7604 1 10 . 1 1 103 103 ALA CB C 103 18.420 18.420 17.108 1.312 19302 7605 1 10 . 1 1 103 103 ALA H H 103 8.030 8.030 8.089 -0.059 19302 7606 1 10 . 1 1 104 104 LEU N N 104 121.207 121.207 118.722 2.485 19302 7607 1 10 . 1 1 104 104 LEU HA H 104 4.164 4.164 4.205 -0.041 19302 7608 1 10 . 1 1 104 104 LEU C C 104 179.295 179.295 178.087 1.208 19302 7609 1 10 . 1 1 104 104 LEU CA C 104 58.235 58.235 57.273 0.962 19302 7610 1 10 . 1 1 104 104 LEU CB C 104 41.154 41.154 42.185 -1.032 19302 7611 1 10 . 1 1 104 104 LEU H H 104 7.161 7.161 7.170 -0.009 19302 7612 1 10 . 1 1 105 105 GLN N N 105 123.941 123.941 119.793 4.148 19302 7613 1 10 . 1 1 105 105 GLN HA H 105 3.451 3.451 3.936 -0.485 19302 7614 1 10 . 1 1 105 105 GLN C C 105 176.984 176.984 178.213 -1.229 19302 7615 1 10 . 1 1 105 105 GLN CA C 105 59.986 59.986 59.653 0.333 19302 7616 1 10 . 1 1 105 105 GLN CB C 105 27.878 27.878 28.043 -0.165 19302 7617 1 10 . 1 1 105 105 GLN H H 105 8.836 8.836 7.365 1.471 19302 7618 1 10 . 1 1 106 106 LYS N N 106 119.943 119.943 119.186 0.757 19302 7619 1 10 . 1 1 106 106 LYS HA H 106 3.752 3.752 3.983 -0.231 19302 7620 1 10 . 1 1 106 106 LYS C C 106 177.834 177.834 178.948 -1.114 19302 7621 1 10 . 1 1 106 106 LYS CA C 106 60.337 60.337 59.589 0.748 19302 7622 1 10 . 1 1 106 106 LYS CB C 106 32.380 32.380 32.044 0.336 19302 7623 1 10 . 1 1 106 106 LYS H H 106 7.692 7.692 8.040 -0.348 19302 7624 1 10 . 1 1 107 107 PHE N N 107 117.769 117.769 119.038 -1.269 19302 7625 1 10 . 1 1 107 107 PHE HA H 107 4.378 4.378 4.490 -0.112 19302 7626 1 10 . 1 1 107 107 PHE C C 107 176.089 176.089 177.545 -1.456 19302 7627 1 10 . 1 1 107 107 PHE CA C 107 60.327 60.327 60.579 -0.252 19302 7628 1 10 . 1 1 107 107 PHE CB C 107 40.477 40.477 39.258 1.219 19302 7629 1 10 . 1 1 107 107 PHE H H 107 7.514 7.514 7.611 -0.097 19302 7630 1 10 . 1 1 108 108 THR N N 108 112.966 112.966 116.745 -3.779 19302 7631 1 10 . 1 1 108 108 THR HA H 108 3.196 3.196 4.175 -0.979 19302 7632 1 10 . 1 1 108 108 THR C C 108 174.656 174.656 177.051 -2.395 19302 7633 1 10 . 1 1 108 108 THR CA C 108 67.885 67.885 67.289 0.596 19302 7634 1 10 . 1 1 108 108 THR CB C 108 69.292 69.292 68.741 0.551 19302 7635 1 10 . 1 1 108 108 THR H H 108 8.541 8.541 8.971 -0.430 19302 7636 1 10 . 1 1 109 109 VAL N N 109 118.515 118.515 121.658 -3.143 19302 7637 1 10 . 1 1 109 109 VAL HA H 109 3.953 3.953 3.841 0.112 19302 7638 1 10 . 1 1 109 109 VAL C C 109 178.009 178.009 176.753 1.256 19302 7639 1 10 . 1 1 109 109 VAL CA C 109 65.110 65.110 66.784 -1.674 19302 7640 1 10 . 1 1 109 109 VAL CB C 109 32.327 32.327 31.864 0.463 19302 7641 1 10 . 1 1 109 109 VAL H H 109 8.065 8.065 8.520 -0.455 19302 7642 1 10 . 1 1 110 110 LEU N N 110 118.627 118.627 117.955 0.672 19302 7643 1 10 . 1 1 110 110 LEU HA H 110 4.157 4.157 4.097 0.060 19302 7644 1 10 . 1 1 110 110 LEU C C 110 178.351 178.351 178.446 -0.095 19302 7645 1 10 . 1 1 110 110 LEU CA C 110 57.133 57.133 57.486 -0.353 19302 7646 1 10 . 1 1 110 110 LEU CB C 110 40.985 40.985 41.960 -0.975 19302 7647 1 10 . 1 1 110 110 LEU H H 110 7.224 7.224 7.715 -0.491 19302 7648 1 10 . 1 1 111 111 ASP N N 111 119.092 119.092 118.965 0.127 19302 7649 1 10 . 1 1 111 111 ASP HA H 111 4.325 4.325 4.619 -0.294 19302 7650 1 10 . 1 1 111 111 ASP C C 111 178.644 178.644 177.519 1.125 19302 7651 1 10 . 1 1 111 111 ASP CA C 111 57.243 57.243 56.833 0.410 19302 7652 1 10 . 1 1 111 111 ASP CB C 111 39.330 39.330 42.219 -2.889 19302 7653 1 10 . 1 1 111 111 ASP H H 111 7.719 7.719 8.206 -0.487 19302 7654 1 10 . 1 1 112 112 LEU N N 112 114.990 114.990 118.203 -3.213 19302 7655 1 10 . 1 1 112 112 LEU HA H 112 4.044 4.044 4.504 -0.460 19302 7656 1 10 . 1 1 112 112 LEU C C 112 177.936 177.936 177.343 0.593 19302 7657 1 10 . 1 1 112 112 LEU CA C 112 55.507 55.507 54.562 0.945 19302 7658 1 10 . 1 1 112 112 LEU CB C 112 42.142 42.142 43.766 -1.624 19302 7659 1 10 . 1 1 112 112 LEU H H 112 7.306 7.306 7.917 -0.611 19302 7660 1 10 . 1 1 113 113 GLY N N 113 108.097 108.097 108.139 -0.042 19302 7661 1 10 . 1 1 113 113 GLY C C 113 175.161 175.161 174.828 0.333 19302 7662 1 10 . 1 1 113 113 GLY CA C 113 47.080 47.080 46.523 0.558 19302 7663 1 10 . 1 1 113 113 GLY H H 113 6.651 6.651 7.570 -0.919 19302 7664 1 10 . 1 1 114 114 MET N N 114 119.916 119.916 118.103 1.813 19302 7665 1 10 . 1 1 114 114 MET HA H 114 4.441 4.441 4.505 -0.064 19302 7666 1 10 . 1 1 114 114 MET C C 114 174.467 174.467 176.152 -1.685 19302 7667 1 10 . 1 1 114 114 MET CA C 114 55.303 55.303 54.763 0.540 19302 7668 1 10 . 1 1 114 114 MET CB C 114 35.820 35.820 34.201 1.619 19302 7669 1 10 . 1 1 114 114 MET H H 114 8.107 8.107 7.671 0.436 19302 7670 1 10 . 1 1 115 115 VAL N N 115 120.592 120.592 120.563 0.029 19302 7671 1 10 . 1 1 115 115 VAL HA H 115 3.723 3.723 4.209 -0.486 19302 7672 1 10 . 1 1 115 115 VAL C C 115 173.084 173.084 174.438 -1.354 19302 7673 1 10 . 1 1 115 115 VAL CA C 115 62.921 62.921 62.030 0.891 19302 7674 1 10 . 1 1 115 115 VAL CB C 115 33.192 33.192 32.165 1.027 19302 7675 1 10 . 1 1 115 115 VAL H H 115 7.414 7.414 8.065 -0.651 19302 7676 1 10 . 1 1 116 116 LEU N N 116 128.303 128.303 129.082 -0.779 19302 7677 1 10 . 1 1 116 116 LEU HA H 116 5.176 5.176 4.849 0.327 19302 7678 1 10 . 1 1 116 116 LEU C C 116 175.304 175.304 176.251 -0.947 19302 7679 1 10 . 1 1 116 116 LEU CA C 116 53.335 53.335 54.226 -0.891 19302 7680 1 10 . 1 1 116 116 LEU CB C 116 45.512 45.512 44.193 1.319 19302 7681 1 10 . 1 1 116 116 LEU H H 116 7.872 7.872 8.568 -0.696 19302 7682 1 10 . 1 1 117 117 LEU N N 117 129.470 129.470 123.970 5.500 19302 7683 1 10 . 1 1 117 117 LEU HA H 117 4.922 4.922 4.824 0.098 19302 7684 1 10 . 1 1 117 117 LEU C C 117 173.512 173.512 174.587 -1.075 19302 7685 1 10 . 1 1 117 117 LEU CA C 117 51.061 51.061 52.557 -1.496 19302 7686 1 10 . 1 1 117 117 LEU CB C 117 43.824 43.824 44.756 -0.932 19302 7687 1 10 . 1 1 117 117 LEU H H 117 9.331 9.331 9.119 0.212 19302 7688 1 10 . 1 1 118 118 PRO HA H 118 5.167 5.167 4.909 0.258 19302 7689 1 10 . 1 1 118 118 PRO C C 118 176.784 176.784 175.772 1.012 19302 7690 1 10 . 1 1 118 118 PRO CA C 118 61.019 61.019 62.223 -1.204 19302 7691 1 10 . 1 1 118 118 PRO CB C 118 32.806 32.806 32.313 0.493 19302 7692 1 10 . 1 1 119 119 VAL N N 119 114.345 114.345 117.381 -3.036 19302 7693 1 10 . 1 1 119 119 VAL HA H 119 4.507 4.507 4.421 0.086 19302 7694 1 10 . 1 1 119 119 VAL C C 119 174.881 174.881 174.751 0.130 19302 7695 1 10 . 1 1 119 119 VAL CA C 119 59.150 59.150 60.254 -1.104 19302 7696 1 10 . 1 1 119 119 VAL CB C 119 36.847 36.847 33.071 3.776 19302 7697 1 10 . 1 1 119 119 VAL H H 119 8.775 8.775 8.868 -0.093 19302 7698 1 10 . 1 1 120 120 ALA N N 120 121.458 121.458 120.770 0.688 19302 7699 1 10 . 1 1 120 120 ALA HA H 120 4.335 4.335 4.581 -0.246 19302 7700 1 10 . 1 1 120 120 ALA C C 120 177.637 177.637 176.336 1.301 19302 7701 1 10 . 1 1 120 120 ALA CA C 120 52.662 52.662 52.988 -0.326 19302 7702 1 10 . 1 1 120 120 ALA CB C 120 19.817 19.817 20.132 -0.315 19302 7703 1 10 . 1 1 120 120 ALA H H 120 8.740 8.740 8.418 0.322 19302 7704 1 10 . 1 1 121 121 SER N N 121 106.201 106.201 112.738 -6.537 19302 7705 1 10 . 1 1 121 121 SER HA H 121 4.523 4.523 4.716 -0.193 19302 7706 1 10 . 1 1 121 121 SER C C 121 173.940 173.940 175.200 -1.260 19302 7707 1 10 . 1 1 121 121 SER CA C 121 56.668 56.668 56.778 -0.110 19302 7708 1 10 . 1 1 121 121 SER CB C 121 66.057 66.057 66.299 -0.242 19302 7709 1 10 . 1 1 121 121 SER H H 121 7.147 7.147 7.749 -0.602 19302 7710 1 10 . 1 1 122 122 GLN N N 122 120.942 120.942 122.120 -1.178 19302 7711 1 10 . 1 1 122 122 GLN HA H 122 4.063 4.063 4.140 -0.077 19302 7712 1 10 . 1 1 122 122 GLN C C 122 178.350 178.350 178.125 0.225 19302 7713 1 10 . 1 1 122 122 GLN CA C 122 59.436 59.436 59.653 -0.217 19302 7714 1 10 . 1 1 122 122 GLN CB C 122 29.018 29.018 28.750 0.268 19302 7715 1 10 . 1 1 122 122 GLN H H 122 9.055 9.055 8.936 0.119 19302 7716 1 10 . 1 1 123 123 MET N N 123 118.978 118.978 117.642 1.336 19302 7717 1 10 . 1 1 123 123 MET HA H 123 3.947 3.947 4.158 -0.211 19302 7718 1 10 . 1 1 123 123 MET C C 123 179.161 179.161 178.565 0.596 19302 7719 1 10 . 1 1 123 123 MET CA C 123 58.802 58.802 59.099 -0.297 19302 7720 1 10 . 1 1 123 123 MET CB C 123 31.305 31.305 32.124 -0.819 19302 7721 1 10 . 1 1 123 123 MET H H 123 7.950 7.950 8.253 -0.303 19302 7722 1 10 . 1 1 124 124 GLU N N 124 121.747 121.747 119.536 2.211 19302 7723 1 10 . 1 1 124 124 GLU HA H 124 3.897 3.897 3.947 -0.050 19302 7724 1 10 . 1 1 124 124 GLU C C 124 179.272 179.272 178.828 0.444 19302 7725 1 10 . 1 1 124 124 GLU CA C 124 59.686 59.686 59.907 -0.221 19302 7726 1 10 . 1 1 124 124 GLU CB C 124 29.943 29.943 29.223 0.720 19302 7727 1 10 . 1 1 124 124 GLU H H 124 7.729 7.729 7.726 0.003 19302 7728 1 10 . 1 1 125 125 ALA N N 125 121.208 121.208 121.495 -0.287 19302 7729 1 10 . 1 1 125 125 ALA HA H 125 3.827 3.827 3.989 -0.162 19302 7730 1 10 . 1 1 125 125 ALA C C 125 178.068 178.068 179.584 -1.516 19302 7731 1 10 . 1 1 125 125 ALA CA C 125 54.330 54.330 55.372 -1.042 19302 7732 1 10 . 1 1 125 125 ALA CB C 125 19.232 19.232 18.047 1.185 19302 7733 1 10 . 1 1 125 125 ALA H H 125 8.083 8.083 7.589 0.494 19302 7734 1 10 . 1 1 126 126 SER N N 126 114.095 114.095 114.319 -0.224 19302 7735 1 10 . 1 1 126 126 SER HA H 126 3.527 3.527 4.028 -0.501 19302 7736 1 10 . 1 1 126 126 SER C C 126 175.129 175.129 176.873 -1.744 19302 7737 1 10 . 1 1 126 126 SER CA C 126 62.161 62.161 61.478 0.683 19302 7738 1 10 . 1 1 126 126 SER CB C 126 69.705 69.705 63.152 6.553 19302 7739 1 10 . 1 1 126 126 SER H H 126 7.975 7.975 8.131 -0.156 19302 7740 1 10 . 1 1 127 127 CYS N N 127 119.210 119.210 119.145 0.065 19302 7741 1 10 . 1 1 127 127 CYS HA H 127 3.819 3.819 4.398 -0.579 19302 7742 1 10 . 1 1 127 127 CYS C C 127 177.016 177.016 176.664 0.352 19302 7743 1 10 . 1 1 127 127 CYS CA C 127 62.351 62.351 61.224 1.127 19302 7744 1 10 . 1 1 127 127 CYS CB C 127 26.714 26.714 27.113 -0.399 19302 7745 1 10 . 1 1 127 127 CYS H H 127 6.869 6.869 8.034 -1.165 19302 7746 1 10 . 1 1 128 128 LEU N N 128 122.342 122.342 122.089 0.253 19302 7747 1 10 . 1 1 128 128 LEU HA H 128 3.947 3.947 4.096 -0.149 19302 7748 1 10 . 1 1 128 128 LEU C C 128 178.010 178.010 178.600 -0.590 19302 7749 1 10 . 1 1 128 128 LEU CA C 128 57.860 57.860 57.781 0.080 19302 7750 1 10 . 1 1 128 128 LEU CB C 128 41.951 41.951 42.031 -0.079 19302 7751 1 10 . 1 1 128 128 LEU H H 128 7.527 7.527 8.537 -1.010 19302 7752 1 10 . 1 1 129 129 VAL N N 129 119.021 119.021 120.054 -1.033 19302 7753 1 10 . 1 1 129 129 VAL HA H 129 3.035 3.035 3.632 -0.597 19302 7754 1 10 . 1 1 129 129 VAL C C 129 177.035 177.035 177.726 -0.691 19302 7755 1 10 . 1 1 129 129 VAL CA C 129 67.656 67.656 66.577 1.079 19302 7756 1 10 . 1 1 129 129 VAL CB C 129 30.898 30.898 31.472 -0.574 19302 7757 1 10 . 1 1 129 129 VAL H H 129 8.360 8.360 8.624 -0.264 19302 7758 1 10 . 1 1 130 130 ILE N N 130 117.913 117.913 119.055 -1.142 19302 7759 1 10 . 1 1 130 130 ILE HA H 130 3.292 3.292 3.518 -0.226 19302 7760 1 10 . 1 1 130 130 ILE C C 130 177.834 177.834 177.496 0.338 19302 7761 1 10 . 1 1 130 130 ILE CA C 130 64.592 64.592 65.172 -0.580 19302 7762 1 10 . 1 1 130 130 ILE CB C 130 36.970 36.970 37.798 -0.828 19302 7763 1 10 . 1 1 130 130 ILE H H 130 7.331 7.331 7.232 0.099 19302 7764 1 10 . 1 1 131 131 GLN N N 131 120.359 120.359 119.210 1.149 19302 7765 1 10 . 1 1 131 131 GLN HA H 131 3.846 3.846 3.964 -0.118 19302 7766 1 10 . 1 1 131 131 GLN C C 131 178.708 178.708 178.565 0.143 19302 7767 1 10 . 1 1 131 131 GLN CA C 131 59.310 59.310 59.024 0.286 19302 7768 1 10 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.376 -0.274 19302 7769 1 10 . 1 1 131 131 GLN H H 131 7.505 7.505 7.769 -0.264 19302 7770 1 10 . 1 1 132 132 LEU N N 132 120.310 120.310 119.174 1.136 19302 7771 1 10 . 1 1 132 132 LEU HA H 132 3.848 3.848 4.099 -0.252 19302 7772 1 10 . 1 1 132 132 LEU C C 132 179.854 179.854 178.601 1.253 19302 7773 1 10 . 1 1 132 132 LEU CA C 132 57.975 57.975 57.920 0.055 19302 7774 1 10 . 1 1 132 132 LEU CB C 132 41.902 41.902 41.854 0.048 19302 7775 1 10 . 1 1 132 132 LEU H H 132 8.270 8.270 7.569 0.701 19302 7776 1 10 . 1 1 133 133 VAL N N 133 120.909 120.909 119.540 1.369 19302 7777 1 10 . 1 1 133 133 VAL HA H 133 4.004 4.004 4.055 -0.051 19302 7778 1 10 . 1 1 133 133 VAL C C 133 178.791 178.791 178.799 -0.008 19302 7779 1 10 . 1 1 133 133 VAL CA C 133 58.026 58.026 65.064 -7.038 19302 7780 1 10 . 1 1 133 133 VAL CB C 133 32.475 32.475 30.736 1.739 19302 7781 1 10 . 1 1 133 133 VAL H H 133 8.162 8.162 7.208 0.954 19302 7782 1 10 . 1 1 134 134 GLN N N 134 120.073 120.073 118.628 1.445 19302 7783 1 10 . 1 1 134 134 GLN HA H 134 3.943 3.943 4.046 -0.103 19302 7784 1 10 . 1 1 134 134 GLN C C 134 178.374 178.374 179.057 -0.683 19302 7785 1 10 . 1 1 134 134 GLN CA C 134 57.164 57.164 58.541 -1.377 19302 7786 1 10 . 1 1 134 134 GLN CB C 134 29.632 29.632 28.122 1.510 19302 7787 1 10 . 1 1 134 134 GLN H H 134 7.837 7.837 8.575 -0.738 19302 7788 1 10 . 1 1 135 135 GLU N N 135 118.639 118.639 120.466 -1.827 19302 7789 1 10 . 1 1 135 135 GLU HA H 135 3.902 3.902 4.076 -0.174 19302 7790 1 10 . 1 1 135 135 GLU C C 135 177.986 177.986 178.727 -0.741 19302 7791 1 10 . 1 1 135 135 GLU CA C 135 58.266 58.266 58.966 -0.700 19302 7792 1 10 . 1 1 135 135 GLU CB C 135 29.593 29.593 29.086 0.507 19302 7793 1 10 . 1 1 135 135 GLU H H 135 7.989 7.989 7.569 0.420 19302 7794 1 10 . 1 1 136 136 GLN N N 136 118.352 118.352 117.660 0.692 19302 7795 1 10 . 1 1 136 136 GLN HA H 136 3.994 3.994 4.135 -0.141 19302 7796 1 10 . 1 1 136 136 GLN C C 136 176.807 176.807 178.708 -1.901 19302 7797 1 10 . 1 1 136 136 GLN CA C 136 56.762 56.762 58.298 -1.536 19302 7798 1 10 . 1 1 136 136 GLN CB C 136 28.835 28.835 28.627 0.208 19302 7799 1 10 . 1 1 136 136 GLN H H 136 7.845 7.845 7.747 0.098 19302 7800 1 10 . 1 1 137 137 THR N N 137 113.953 113.953 111.911 2.042 19302 7801 1 10 . 1 1 137 137 THR HA H 137 4.163 4.163 4.220 -0.057 19302 7802 1 10 . 1 1 137 137 THR C C 137 174.267 174.267 173.960 0.307 19302 7803 1 10 . 1 1 137 137 THR CA C 137 64.611 64.611 62.455 2.156 19302 7804 1 10 . 1 1 137 137 THR CB C 137 69.280 69.280 67.782 1.498 19302 7805 1 10 . 1 1 137 137 THR H H 137 7.847 7.847 8.319 -0.472 19302 7806 1 10 . 1 1 138 138 LYS N N 138 122.289 122.289 121.486 0.803 19302 7807 1 10 . 1 1 138 138 LYS C C 138 176.119 176.119 176.247 -0.128 19302 7808 1 10 . 1 1 138 138 LYS CA C 138 56.329 56.329 54.724 1.605 19302 7809 1 10 . 1 1 138 138 LYS CB C 138 32.891 32.891 35.044 -2.153 19302 7810 1 10 . 1 1 138 138 LYS H H 138 7.607 7.607 8.159 -0.552 19302 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 130 3.099 -0.284 3.097 19302 2 1 1 "Average Difference" HA 143 0.333 0.123 0.311 19302 3 1 1 "Average Difference" C 134 1.467 0.282 1.445 19302 4 1 1 "Average Difference" CA 136 1.504 0.062 1.508 19302 5 1 1 "Average Difference" CB 126 1.334 -0.283 1.309 19302 6 1 1 "Average Difference" HN 130 0.586 0.081 0.583 19302 7 1 2 "Average Difference" N 130 3.244 -0.346 3.238 19302 8 1 2 "Average Difference" HA 143 0.361 0.145 0.331 19302 9 1 2 "Average Difference" C 134 1.491 0.371 1.450 19302 10 1 2 "Average Difference" CA 136 1.529 -0.022 1.535 19302 11 1 2 "Average Difference" CB 126 1.337 -0.343 1.298 19302 12 1 2 "Average Difference" HN 130 0.625 0.092 0.621 19302 13 1 3 "Average Difference" N 130 3.143 -0.503 3.114 19302 14 1 3 "Average Difference" HA 143 0.365 0.149 0.334 19302 15 1 3 "Average Difference" C 134 1.447 0.151 1.444 19302 16 1 3 "Average Difference" CA 136 1.433 -0.037 1.438 19302 17 1 3 "Average Difference" CB 126 1.325 -0.192 1.316 19302 18 1 3 "Average Difference" HN 130 0.587 0.101 0.581 19302 19 1 4 "Average Difference" N 130 3.322 -0.421 3.308 19302 20 1 4 "Average Difference" HA 143 0.345 0.138 0.317 19302 21 1 4 "Average Difference" C 134 1.490 0.216 1.479 19302 22 1 4 "Average Difference" CA 136 1.471 0.027 1.477 19302 23 1 4 "Average Difference" CB 126 1.409 -0.216 1.398 19302 24 1 4 "Average Difference" HN 130 0.595 0.087 0.591 19302 25 1 5 "Average Difference" N 130 3.016 -0.368 3.005 19302 26 1 5 "Average Difference" HA 143 0.356 0.129 0.333 19302 27 1 5 "Average Difference" C 134 1.442 0.265 1.423 19302 28 1 5 "Average Difference" CA 136 1.489 0.015 1.494 19302 29 1 5 "Average Difference" CB 126 1.365 -0.272 1.343 19302 30 1 5 "Average Difference" HN 130 0.608 0.065 0.607 19302 31 1 6 "Average Difference" N 130 3.177 -0.368 3.167 19302 32 1 6 "Average Difference" HA 143 0.347 0.149 0.315 19302 33 1 6 "Average Difference" C 134 1.414 0.224 1.402 19302 34 1 6 "Average Difference" CA 136 1.556 -0.076 1.560 19302 35 1 6 "Average Difference" CB 126 1.312 -0.174 1.306 19302 36 1 6 "Average Difference" HN 130 0.647 0.023 0.649 19302 37 1 7 "Average Difference" N 130 3.119 -0.154 3.127 19302 38 1 7 "Average Difference" HA 143 0.356 0.140 0.328 19302 39 1 7 "Average Difference" C 134 1.398 0.250 1.381 19302 40 1 7 "Average Difference" CA 136 1.390 0.009 1.395 19302 41 1 7 "Average Difference" CB 126 1.387 -0.299 1.360 19302 42 1 7 "Average Difference" HN 130 0.636 0.095 0.632 19302 43 1 8 "Average Difference" N 130 3.200 -0.283 3.199 19302 44 1 8 "Average Difference" HA 143 0.357 0.116 0.339 19302 45 1 8 "Average Difference" C 134 1.488 0.173 1.484 19302 46 1 8 "Average Difference" CA 136 1.464 0.013 1.470 19302 47 1 8 "Average Difference" CB 126 1.366 -0.178 1.359 19302 48 1 8 "Average Difference" HN 130 0.596 0.108 0.589 19302 49 1 9 "Average Difference" N 130 3.224 -0.454 3.204 19302 50 1 9 "Average Difference" HA 143 0.371 0.142 0.344 19302 51 1 9 "Average Difference" C 134 1.452 0.228 1.439 19302 52 1 9 "Average Difference" CA 136 1.492 0.012 1.497 19302 53 1 9 "Average Difference" CB 126 1.333 -0.207 1.322 19302 54 1 9 "Average Difference" HN 130 0.629 0.093 0.624 19302 55 1 10 "Average Difference" N 130 3.067 -0.415 3.051 19302 56 1 10 "Average Difference" HA 143 0.342 0.137 0.314 19302 57 1 10 "Average Difference" C 134 1.427 0.260 1.409 19302 58 1 10 "Average Difference" CA 136 1.381 0.019 1.386 19302 59 1 10 "Average Difference" CB 126 1.373 -0.197 1.364 19302 60 1 10 "Average Difference" HN 130 0.575 0.115 0.566 19302 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 19302 _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 GLU N N 2 123.078 123.078 121.899 1.179 19302 2 1 . 1 1 2 2 GLU HA H 2 4.160 4.160 4.453 -0.293 19302 3 1 . 1 1 2 2 GLU C C 2 175.765 175.765 175.670 0.095 19302 4 1 . 1 1 2 2 GLU CA C 2 56.353 56.353 56.415 -0.062 19302 5 1 . 1 1 2 2 GLU CB C 2 30.041 30.041 30.543 -0.502 19302 6 1 . 1 1 2 2 GLU H H 2 8.313 8.313 8.512 -0.199 19302 7 1 . 1 1 3 3 LYS N N 3 124.091 124.091 122.503 1.588 19302 8 1 . 1 1 3 3 LYS HA H 3 4.013 4.013 4.427 -0.414 19302 9 1 . 1 1 3 3 LYS C C 3 174.713 174.713 175.741 -1.028 19302 10 1 . 1 1 3 3 LYS CA C 3 56.240 56.240 56.129 0.111 19302 11 1 . 1 1 3 3 LYS CB C 3 33.400 33.400 33.000 0.400 19302 12 1 . 1 1 3 3 LYS H H 3 8.243 8.243 8.296 -0.053 19302 13 1 . 1 1 4 4 ASN N N 4 121.184 121.184 118.930 2.254 19302 14 1 . 1 1 4 4 ASN C C 4 172.940 172.940 173.219 -0.279 19302 15 1 . 1 1 4 4 ASN CA C 4 50.404 50.404 52.082 -1.678 19302 16 1 . 1 1 4 4 ASN CB C 4 41.212 41.212 38.435 2.777 19302 17 1 . 1 1 4 4 ASN H H 4 8.086 8.086 8.281 -0.196 19302 18 1 . 1 1 6 6 PRO HA H 6 4.222 4.222 4.402 -0.180 19302 19 1 . 1 1 6 6 PRO C C 6 176.390 176.390 176.048 0.342 19302 20 1 . 1 1 6 6 PRO CA C 6 63.267 63.267 63.392 -0.125 19302 21 1 . 1 1 6 6 PRO CB C 6 32.008 32.008 31.923 0.085 19302 22 1 . 1 1 7 7 ASP N N 7 120.412 120.412 122.968 -2.556 19302 23 1 . 1 1 7 7 ASP HA H 7 4.402 4.402 4.621 -0.219 19302 24 1 . 1 1 7 7 ASP C C 7 175.911 175.911 175.391 0.520 19302 25 1 . 1 1 7 7 ASP CA C 7 54.248 54.248 53.465 0.783 19302 26 1 . 1 1 7 7 ASP CB C 7 41.210 41.210 40.599 0.612 19302 27 1 . 1 1 7 7 ASP H H 7 8.175 8.175 8.241 -0.066 19302 28 1 . 1 1 8 8 ASP N N 8 121.448 121.448 119.209 2.239 19302 29 1 . 1 1 8 8 ASP HA H 8 4.554 4.554 4.335 0.219 19302 30 1 . 1 1 8 8 ASP C C 8 176.334 176.334 176.150 0.184 19302 31 1 . 1 1 8 8 ASP CA C 8 54.240 54.240 55.230 -0.990 19302 32 1 . 1 1 8 8 ASP CB C 8 41.354 41.354 39.942 1.412 19302 33 1 . 1 1 8 8 ASP H H 8 8.080 8.080 8.307 -0.227 19302 34 1 . 1 1 9 9 THR N N 9 114.376 114.376 113.759 0.617 19302 35 1 . 1 1 9 9 THR HA H 9 4.170 4.170 4.160 0.010 19302 36 1 . 1 1 9 9 THR C C 9 174.565 174.565 174.704 -0.139 19302 37 1 . 1 1 9 9 THR CA C 9 62.018 62.018 63.044 -1.026 19302 38 1 . 1 1 9 9 THR CB C 9 69.655 69.655 68.887 0.768 19302 39 1 . 1 1 9 9 THR H H 9 7.982 7.982 8.200 -0.218 19302 40 1 . 1 1 10 10 GLY N N 10 111.726 111.726 109.404 2.322 19302 41 1 . 1 1 10 10 GLY C C 10 171.287 171.287 172.558 -1.271 19302 42 1 . 1 1 10 10 GLY CA C 10 44.627 44.627 44.959 -0.332 19302 43 1 . 1 1 10 10 GLY H H 10 8.051 8.051 7.949 0.102 19302 44 1 . 1 1 11 11 PRO HA H 11 4.298 4.298 4.481 -0.183 19302 45 1 . 1 1 11 11 PRO C C 11 176.417 176.417 176.253 0.164 19302 46 1 . 1 1 11 11 PRO CA C 11 63.173 63.173 62.755 0.418 19302 47 1 . 1 1 11 11 PRO CB C 11 32.419 32.419 31.880 0.539 19302 48 1 . 1 1 12 12 VAL N N 12 120.990 120.990 122.330 -1.339 19302 49 1 . 1 1 12 12 VAL HA H 12 3.757 3.757 4.068 -0.311 19302 50 1 . 1 1 12 12 VAL C C 12 174.604 174.604 175.867 -1.263 19302 51 1 . 1 1 12 12 VAL CA C 12 61.747 61.747 62.836 -1.089 19302 52 1 . 1 1 12 12 VAL CB C 12 33.506 33.506 32.432 1.074 19302 53 1 . 1 1 12 12 VAL H H 12 7.667 7.667 8.195 -0.528 19302 54 1 . 1 1 13 13 HIS N N 13 123.020 123.020 121.734 1.286 19302 55 1 . 1 1 13 13 HIS HA H 13 4.387 4.387 4.675 -0.287 19302 56 1 . 1 1 13 13 HIS C C 13 173.601 173.601 174.409 -0.808 19302 57 1 . 1 1 13 13 HIS CA C 13 55.731 55.731 55.232 0.499 19302 58 1 . 1 1 13 13 HIS CB C 13 30.039 30.039 29.697 0.342 19302 59 1 . 1 1 13 13 HIS H H 13 8.088 8.088 8.143 -0.055 19302 60 1 . 1 1 14 14 VAL N N 14 126.633 126.633 118.447 8.186 19302 61 1 . 1 1 14 14 VAL HA H 14 3.941 3.941 4.309 -0.368 19302 62 1 . 1 1 14 14 VAL C C 14 173.591 173.591 174.513 -0.922 19302 63 1 . 1 1 14 14 VAL CA C 14 59.095 59.095 60.261 -1.166 19302 64 1 . 1 1 14 14 VAL CB C 14 32.976 32.976 31.953 1.023 19302 65 1 . 1 1 14 14 VAL H H 14 8.128 8.128 8.132 -0.004 19302 66 1 . 1 1 15 15 PRO HA H 15 4.042 4.042 4.409 -0.367 19302 67 1 . 1 1 15 15 PRO C C 15 175.581 175.581 176.543 -0.962 19302 68 1 . 1 1 15 15 PRO CA C 15 62.314 62.314 63.383 -1.069 19302 69 1 . 1 1 15 15 PRO CB C 15 31.352 31.352 32.021 -0.669 19302 70 1 . 1 1 16 16 LEU N N 16 122.170 122.170 119.354 2.816 19302 71 1 . 1 1 16 16 LEU HA H 16 4.073 4.073 4.407 -0.334 19302 72 1 . 1 1 16 16 LEU C C 16 180.683 180.683 176.980 3.703 19302 73 1 . 1 1 16 16 LEU CA C 16 56.442 56.442 55.193 1.249 19302 74 1 . 1 1 16 16 LEU CB C 16 41.855 41.855 42.329 -0.474 19302 75 1 . 1 1 16 16 LEU H H 16 8.070 8.070 7.940 0.130 19302 76 1 . 1 1 17 17 GLY N N 17 114.931 114.931 107.285 7.646 19302 77 1 . 1 1 17 17 GLY C C 17 173.075 173.075 173.447 -0.372 19302 78 1 . 1 1 17 17 GLY CA C 17 45.757 45.757 45.048 0.709 19302 79 1 . 1 1 17 17 GLY H H 17 9.325 9.325 7.958 1.367 19302 80 1 . 1 1 18 18 HIS N N 18 117.638 117.638 119.285 -1.647 19302 81 1 . 1 1 18 18 HIS HA H 18 5.386 5.386 4.966 0.420 19302 82 1 . 1 1 18 18 HIS C C 18 173.186 173.186 173.700 -0.514 19302 83 1 . 1 1 18 18 HIS CA C 18 54.007 54.007 54.368 -0.361 19302 84 1 . 1 1 18 18 HIS CB C 18 31.691 31.691 31.571 0.119 19302 85 1 . 1 1 18 18 HIS H H 18 7.803 7.803 7.416 0.387 19302 86 1 . 1 1 19 19 ILE N N 19 114.669 114.669 119.602 -4.933 19302 87 1 . 1 1 19 19 ILE HA H 19 4.372 4.372 4.446 -0.074 19302 88 1 . 1 1 19 19 ILE C C 19 174.449 174.449 174.890 -0.441 19302 89 1 . 1 1 19 19 ILE CA C 19 60.368 60.368 59.568 0.800 19302 90 1 . 1 1 19 19 ILE CB C 19 42.044 42.044 41.058 0.986 19302 91 1 . 1 1 19 19 ILE H H 19 8.059 8.059 8.218 -0.159 19302 92 1 . 1 1 20 20 VAL N N 20 124.211 124.211 123.148 1.063 19302 93 1 . 1 1 20 20 VAL HA H 20 4.730 4.730 4.823 -0.093 19302 94 1 . 1 1 20 20 VAL C C 20 174.104 174.104 174.781 -0.677 19302 95 1 . 1 1 20 20 VAL CA C 20 61.322 61.322 60.675 0.647 19302 96 1 . 1 1 20 20 VAL CB C 20 33.255 33.255 33.826 -0.571 19302 97 1 . 1 1 20 20 VAL H H 20 7.525 7.525 8.189 -0.664 19302 98 1 . 1 1 21 21 ALA N N 21 131.125 131.125 127.149 3.976 19302 99 1 . 1 1 21 21 ALA HA H 21 5.095 5.095 5.237 -0.142 19302 100 1 . 1 1 21 21 ALA C C 21 175.389 175.389 175.681 -0.292 19302 101 1 . 1 1 21 21 ALA CA C 21 49.175 49.175 49.588 -0.413 19302 102 1 . 1 1 21 21 ALA CB C 21 24.297 24.297 22.881 1.416 19302 103 1 . 1 1 21 21 ALA H H 21 9.395 9.395 9.091 0.304 19302 104 1 . 1 1 22 22 ASN N N 22 120.999 120.999 120.620 0.379 19302 105 1 . 1 1 22 22 ASN HA H 22 4.805 4.805 4.978 -0.173 19302 106 1 . 1 1 22 22 ASN C C 22 176.336 176.336 176.815 -0.479 19302 107 1 . 1 1 22 22 ASN CA C 22 54.289 54.289 52.518 1.771 19302 108 1 . 1 1 22 22 ASN CB C 22 39.822 39.822 39.975 -0.153 19302 109 1 . 1 1 22 22 ASN H H 22 8.345 8.345 8.230 0.115 19302 110 1 . 1 1 23 23 GLU N N 23 128.726 128.726 127.281 1.445 19302 111 1 . 1 1 23 23 GLU HA H 23 3.927 3.927 4.030 -0.103 19302 112 1 . 1 1 23 23 GLU C C 23 176.348 176.348 177.627 -1.279 19302 113 1 . 1 1 23 23 GLU CA C 23 59.171 59.171 59.863 -0.692 19302 114 1 . 1 1 23 23 GLU CB C 23 30.365 30.365 29.827 0.538 19302 115 1 . 1 1 23 23 GLU H H 23 7.951 7.951 8.414 -0.463 19302 116 1 . 1 1 24 24 LYS N N 24 119.166 119.166 118.738 0.428 19302 117 1 . 1 1 24 24 LYS HA H 24 3.895 3.895 4.181 -0.286 19302 118 1 . 1 1 24 24 LYS C C 24 176.782 176.782 178.325 -1.543 19302 119 1 . 1 1 24 24 LYS CA C 24 58.379 58.379 58.612 -0.233 19302 120 1 . 1 1 24 24 LYS CB C 24 30.846 30.846 32.401 -1.555 19302 121 1 . 1 1 24 24 LYS H H 24 8.583 8.583 8.251 0.332 19302 122 1 . 1 1 25 25 TRP N N 25 118.053 118.053 119.976 -1.923 19302 123 1 . 1 1 25 25 TRP HA H 25 4.326 4.326 4.497 -0.171 19302 124 1 . 1 1 25 25 TRP C C 25 177.280 177.280 176.454 0.826 19302 125 1 . 1 1 25 25 TRP CA C 25 56.722 56.722 58.189 -1.467 19302 126 1 . 1 1 25 25 TRP CB C 25 29.506 29.506 29.393 0.113 19302 127 1 . 1 1 25 25 TRP H H 25 8.169 8.169 8.354 -0.185 19302 128 1 . 1 1 26 26 ARG N N 26 127.838 127.838 119.558 8.280 19302 129 1 . 1 1 26 26 ARG HA H 26 3.302 3.302 4.162 -0.860 19302 130 1 . 1 1 26 26 ARG C C 26 177.506 177.506 177.356 0.150 19302 131 1 . 1 1 26 26 ARG CA C 26 59.147 59.147 57.671 1.476 19302 132 1 . 1 1 26 26 ARG CB C 26 29.305 29.305 29.871 -0.566 19302 133 1 . 1 1 26 26 ARG H H 26 7.879 7.879 7.587 0.291 19302 134 1 . 1 1 27 27 GLY N N 27 116.455 116.455 108.220 8.235 19302 135 1 . 1 1 27 27 GLY C C 27 174.037 174.037 173.833 0.204 19302 136 1 . 1 1 27 27 GLY CA C 27 45.513 45.513 44.995 0.519 19302 137 1 . 1 1 27 27 GLY H H 27 8.968 8.968 7.946 1.022 19302 138 1 . 1 1 28 28 SER N N 28 115.316 115.316 114.453 0.863 19302 139 1 . 1 1 28 28 SER HA H 28 4.357 4.357 4.330 0.027 19302 140 1 . 1 1 28 28 SER C C 28 174.705 174.705 174.713 -0.007 19302 141 1 . 1 1 28 28 SER CA C 28 58.055 58.055 57.186 0.869 19302 142 1 . 1 1 28 28 SER CB C 28 65.852 65.852 64.776 1.076 19302 143 1 . 1 1 28 28 SER H H 28 7.718 7.718 7.460 0.258 19302 144 1 . 1 1 29 29 GLN N N 29 124.252 124.252 122.904 1.348 19302 145 1 . 1 1 29 29 GLN HA H 29 3.940 3.940 4.041 -0.101 19302 146 1 . 1 1 29 29 GLN C C 29 178.221 178.221 177.527 0.694 19302 147 1 . 1 1 29 29 GLN CA C 29 59.678 59.678 58.423 1.255 19302 148 1 . 1 1 29 29 GLN CB C 29 27.932 27.932 28.514 -0.582 19302 149 1 . 1 1 29 29 GLN H H 29 8.987 8.987 8.767 0.220 19302 150 1 . 1 1 30 30 LEU N N 30 119.516 119.516 120.843 -1.327 19302 151 1 . 1 1 30 30 LEU HA H 30 3.649 3.649 4.100 -0.451 19302 152 1 . 1 1 30 30 LEU C C 30 177.674 177.674 178.246 -0.572 19302 153 1 . 1 1 30 30 LEU CA C 30 59.240 59.240 57.821 1.419 19302 154 1 . 1 1 30 30 LEU CB C 30 42.377 42.377 41.125 1.252 19302 155 1 . 1 1 30 30 LEU H H 30 8.469 8.469 7.676 0.793 19302 156 1 . 1 1 31 31 ALA N N 31 118.887 118.887 119.728 -0.841 19302 157 1 . 1 1 31 31 ALA HA H 31 3.787 3.787 4.133 -0.346 19302 158 1 . 1 1 31 31 ALA C C 31 179.914 179.914 179.763 0.151 19302 159 1 . 1 1 31 31 ALA CA C 31 55.346 55.346 54.981 0.365 19302 160 1 . 1 1 31 31 ALA CB C 31 18.725 18.725 18.214 0.511 19302 161 1 . 1 1 31 31 ALA H H 31 7.965 7.965 8.233 -0.269 19302 162 1 . 1 1 32 32 GLN N N 32 119.187 119.187 117.152 2.035 19302 163 1 . 1 1 32 32 GLN HA H 32 3.874 3.874 4.211 -0.337 19302 164 1 . 1 1 32 32 GLN C C 32 179.160 179.160 178.505 0.655 19302 165 1 . 1 1 32 32 GLN CA C 32 59.072 59.072 58.471 0.601 19302 166 1 . 1 1 32 32 GLN CB C 32 28.676 28.676 28.676 0.001 19302 167 1 . 1 1 32 32 GLN H H 32 8.292 8.292 7.882 0.410 19302 168 1 . 1 1 33 33 GLU N N 33 117.845 117.845 120.149 -2.304 19302 169 1 . 1 1 33 33 GLU HA H 33 3.932 3.932 4.061 -0.129 19302 170 1 . 1 1 33 33 GLU C C 33 178.487 178.487 178.952 -0.465 19302 171 1 . 1 1 33 33 GLU CA C 33 57.948 57.948 59.041 -1.093 19302 172 1 . 1 1 33 33 GLU CB C 33 29.221 29.221 29.492 -0.271 19302 173 1 . 1 1 33 33 GLU H H 33 8.157 8.157 8.034 0.123 19302 174 1 . 1 1 34 34 MET N N 34 116.546 116.546 118.095 -1.549 19302 175 1 . 1 1 34 34 MET HA H 34 3.911 3.911 4.035 -0.124 19302 176 1 . 1 1 34 34 MET C C 34 176.992 176.992 177.786 -0.794 19302 177 1 . 1 1 34 34 MET CA C 34 58.485 58.485 58.925 -0.440 19302 178 1 . 1 1 34 34 MET CB C 34 34.045 34.045 32.233 1.812 19302 179 1 . 1 1 34 34 MET H H 34 7.452 7.452 7.897 -0.445 19302 180 1 . 1 1 35 35 GLN N N 35 118.259 118.259 116.892 1.367 19302 181 1 . 1 1 35 35 GLN HA H 35 4.219 4.219 4.516 -0.297 19302 182 1 . 1 1 35 35 GLN C C 35 176.544 176.544 178.002 -1.458 19302 183 1 . 1 1 35 35 GLN CA C 35 58.039 58.039 57.383 0.656 19302 184 1 . 1 1 35 35 GLN CB C 35 28.381 28.381 28.371 0.010 19302 185 1 . 1 1 35 35 GLN H H 35 7.605 7.605 7.795 -0.190 19302 186 1 . 1 1 36 36 GLY N N 36 110.354 110.354 106.182 4.172 19302 187 1 . 1 1 36 36 GLY C C 36 174.291 174.291 174.536 -0.245 19302 188 1 . 1 1 36 36 GLY CA C 36 45.517 45.517 45.588 -0.071 19302 189 1 . 1 1 36 36 GLY H H 36 8.178 8.178 8.374 -0.196 19302 190 1 . 1 1 37 37 LYS N N 37 119.406 119.406 118.465 0.942 19302 191 1 . 1 1 37 37 LYS HA H 37 4.254 4.254 4.498 -0.244 19302 192 1 . 1 1 37 37 LYS C C 37 175.387 175.387 176.061 -0.674 19302 193 1 . 1 1 37 37 LYS CA C 37 57.173 57.173 56.427 0.746 19302 194 1 . 1 1 37 37 LYS CB C 37 35.261 35.261 35.412 -0.151 19302 195 1 . 1 1 37 37 LYS H H 37 7.837 7.837 7.684 0.153 19302 196 1 . 1 1 38 38 ILE N N 38 118.201 118.201 120.556 -2.355 19302 197 1 . 1 1 38 38 ILE HA H 38 4.138 4.138 4.333 -0.195 19302 198 1 . 1 1 38 38 ILE C C 38 172.937 172.937 173.798 -0.862 19302 199 1 . 1 1 38 38 ILE CA C 38 59.055 59.055 59.007 0.048 19302 200 1 . 1 1 38 38 ILE CB C 38 41.631 41.631 41.332 0.299 19302 201 1 . 1 1 38 38 ILE H H 38 7.821 7.821 8.088 -0.268 19302 202 1 . 1 1 39 39 LYS N N 39 122.826 122.826 123.333 -0.507 19302 203 1 . 1 1 39 39 LYS HA H 39 4.187 4.187 4.483 -0.296 19302 204 1 . 1 1 39 39 LYS C C 39 174.751 174.751 174.723 0.028 19302 205 1 . 1 1 39 39 LYS CA C 39 55.865 55.865 55.930 -0.065 19302 206 1 . 1 1 39 39 LYS CB C 39 33.007 33.007 33.348 -0.341 19302 207 1 . 1 1 39 39 LYS H H 39 7.126 7.126 8.616 -1.490 19302 208 1 . 1 1 40 40 LEU N N 40 124.298 124.298 125.479 -1.181 19302 209 1 . 1 1 40 40 LEU HA H 40 4.667 4.667 5.106 -0.439 19302 210 1 . 1 1 40 40 LEU C C 40 176.473 176.473 175.678 0.795 19302 211 1 . 1 1 40 40 LEU CA C 40 54.607 54.607 53.574 1.033 19302 212 1 . 1 1 40 40 LEU CB C 40 44.102 44.102 44.917 -0.815 19302 213 1 . 1 1 40 40 LEU H H 40 8.102 8.102 8.321 -0.219 19302 214 1 . 1 1 41 41 ILE N N 41 124.128 124.128 123.902 0.226 19302 215 1 . 1 1 41 41 ILE HA H 41 4.092 4.092 4.113 -0.021 19302 216 1 . 1 1 41 41 ILE C C 41 174.360 174.360 174.387 -0.027 19302 217 1 . 1 1 41 41 ILE CA C 41 60.208 60.208 59.886 0.322 19302 218 1 . 1 1 41 41 ILE CB C 41 40.867 40.867 40.694 0.173 19302 219 1 . 1 1 41 41 ILE H H 41 8.208 8.208 8.720 -0.512 19302 220 1 . 1 1 42 42 PHE N N 42 125.226 125.226 124.145 1.081 19302 221 1 . 1 1 42 42 PHE HA H 42 5.501 5.501 5.355 0.146 19302 222 1 . 1 1 42 42 PHE C C 42 176.313 176.313 176.001 0.312 19302 223 1 . 1 1 42 42 PHE CA C 42 57.720 57.720 56.557 1.163 19302 224 1 . 1 1 42 42 PHE CB C 42 41.630 41.630 40.551 1.079 19302 225 1 . 1 1 42 42 PHE H H 42 8.636 8.636 8.496 0.140 19302 226 1 . 1 1 43 43 GLU N N 43 121.397 121.397 124.216 -2.819 19302 227 1 . 1 1 43 43 GLU HA H 43 4.643 4.643 4.672 -0.029 19302 228 1 . 1 1 43 43 GLU C C 43 175.211 175.211 175.090 0.121 19302 229 1 . 1 1 43 43 GLU CA C 43 55.131 55.131 55.188 -0.057 19302 230 1 . 1 1 43 43 GLU CB C 43 33.367 33.367 33.536 -0.169 19302 231 1 . 1 1 43 43 GLU H H 43 8.589 8.589 8.927 -0.338 19302 232 1 . 1 1 44 44 ASP N N 44 124.759 124.759 124.945 -0.186 19302 233 1 . 1 1 44 44 ASP HA H 44 4.708 4.708 4.641 0.067 19302 234 1 . 1 1 44 44 ASP C C 44 177.308 177.308 176.735 0.573 19302 235 1 . 1 1 44 44 ASP CA C 44 53.737 53.737 54.244 -0.507 19302 236 1 . 1 1 44 44 ASP CB C 44 42.365 42.365 40.672 1.693 19302 237 1 . 1 1 44 44 ASP H H 44 8.729 8.729 8.728 0.001 19302 238 1 . 1 1 45 45 GLY N N 45 108.414 108.414 111.887 -3.473 19302 239 1 . 1 1 45 45 GLY C C 45 174.426 174.426 174.179 0.247 19302 240 1 . 1 1 45 45 GLY CA C 45 46.367 46.367 45.010 1.357 19302 241 1 . 1 1 45 45 GLY H H 45 8.564 8.564 8.429 0.135 19302 242 1 . 1 1 46 46 LEU N N 46 119.025 119.025 121.609 -2.584 19302 243 1 . 1 1 46 46 LEU HA H 46 4.356 4.356 4.334 0.022 19302 244 1 . 1 1 46 46 LEU C C 46 177.414 177.414 176.840 0.574 19302 245 1 . 1 1 46 46 LEU CA C 46 54.189 54.189 55.267 -1.078 19302 246 1 . 1 1 46 46 LEU CB C 46 43.853 43.853 42.451 1.402 19302 247 1 . 1 1 46 46 LEU H H 46 7.130 7.130 7.709 -0.579 19302 248 1 . 1 1 47 47 THR N N 47 117.926 117.926 114.587 3.339 19302 249 1 . 1 1 47 47 THR HA H 47 4.326 4.326 4.469 -0.143 19302 250 1 . 1 1 47 47 THR CA C 47 67.458 67.458 62.803 4.655 19302 251 1 . 1 1 47 47 THR H H 47 9.042 9.042 8.323 0.719 19302 252 1 . 1 1 48 48 PRO HA H 48 4.163 4.163 4.242 -0.079 19302 253 1 . 1 1 48 48 PRO CA C 48 62.301 62.301 62.974 -0.673 19302 254 1 . 1 1 48 48 PRO CB C 48 31.524 31.524 32.359 -0.835 19302 255 1 . 1 1 49 49 ASP N N 49 116.671 116.671 118.022 -1.351 19302 256 1 . 1 1 49 49 ASP HA H 49 4.336 4.336 4.269 0.067 19302 257 1 . 1 1 49 49 ASP C C 49 174.082 174.082 175.435 -1.353 19302 258 1 . 1 1 49 49 ASP CA C 49 58.985 58.985 55.888 3.098 19302 259 1 . 1 1 49 49 ASP CB C 49 43.773 43.773 42.207 1.566 19302 260 1 . 1 1 49 49 ASP H H 49 7.731 7.731 7.935 -0.204 19302 261 1 . 1 1 50 50 PHE N N 50 109.227 109.227 116.334 -7.107 19302 262 1 . 1 1 50 50 PHE HA H 50 5.488 5.488 5.495 -0.007 19302 263 1 . 1 1 50 50 PHE C C 50 175.293 175.293 174.515 0.778 19302 264 1 . 1 1 50 50 PHE CA C 50 55.516 55.516 56.377 -0.861 19302 265 1 . 1 1 50 50 PHE CB C 50 43.280 43.280 42.982 0.298 19302 266 1 . 1 1 50 50 PHE H H 50 7.324 7.324 7.812 -0.488 19302 267 1 . 1 1 51 51 TYR N N 51 122.688 122.688 122.202 0.486 19302 268 1 . 1 1 51 51 TYR HA H 51 4.717 4.717 4.855 -0.138 19302 269 1 . 1 1 51 51 TYR C C 51 174.427 174.427 175.063 -0.636 19302 270 1 . 1 1 51 51 TYR CA C 51 59.097 59.097 57.565 1.532 19302 271 1 . 1 1 51 51 TYR CB C 51 39.893 39.893 39.998 -0.106 19302 272 1 . 1 1 51 51 TYR H H 51 9.944 9.944 8.764 1.180 19302 273 1 . 1 1 52 52 LEU N N 52 121.948 121.948 127.657 -5.709 19302 274 1 . 1 1 52 52 LEU HA H 52 4.231 4.231 4.327 -0.096 19302 275 1 . 1 1 52 52 LEU C C 52 175.771 175.771 176.398 -0.627 19302 276 1 . 1 1 52 52 LEU CA C 52 55.320 55.320 56.152 -0.832 19302 277 1 . 1 1 52 52 LEU CB C 52 42.874 42.874 43.219 -0.345 19302 278 1 . 1 1 52 52 LEU H H 52 8.225 8.225 8.300 -0.075 19302 279 1 . 1 1 53 53 SER N N 53 111.729 111.729 110.618 1.111 19302 280 1 . 1 1 53 53 SER HA H 53 4.267 4.267 4.577 -0.310 19302 281 1 . 1 1 53 53 SER C C 53 173.134 173.134 173.151 -0.017 19302 282 1 . 1 1 53 53 SER CA C 53 56.843 56.843 57.433 -0.590 19302 283 1 . 1 1 53 53 SER CB C 53 64.642 64.642 64.648 -0.006 19302 284 1 . 1 1 53 53 SER H H 53 8.487 8.487 7.579 0.908 19302 285 1 . 1 1 54 54 ASN N N 54 116.204 116.204 120.103 -3.899 19302 286 1 . 1 1 54 54 ASN HA H 54 4.388 4.388 4.666 -0.278 19302 287 1 . 1 1 54 54 ASN C C 54 175.095 175.095 175.147 -0.052 19302 288 1 . 1 1 54 54 ASN CA C 54 55.905 55.905 54.364 1.541 19302 289 1 . 1 1 54 54 ASN CB C 54 37.761 37.761 38.040 -0.279 19302 290 1 . 1 1 54 54 ASN H H 54 8.682 8.682 8.763 -0.081 19302 291 1 . 1 1 55 55 ARG N N 55 112.605 112.605 116.833 -4.228 19302 292 1 . 1 1 55 55 ARG HA H 55 4.607 4.607 4.531 0.076 19302 293 1 . 1 1 55 55 ARG C C 55 175.506 175.506 174.133 1.373 19302 294 1 . 1 1 55 55 ARG CA C 55 55.586 55.586 56.292 -0.706 19302 295 1 . 1 1 55 55 ARG CB C 55 31.688 31.688 31.928 -0.240 19302 296 1 . 1 1 55 55 ARG H H 55 7.783 7.783 8.043 -0.260 19302 297 1 . 1 1 56 56 CYS N N 56 122.261 122.261 118.518 3.743 19302 298 1 . 1 1 56 56 CYS HA H 56 5.194 5.194 5.127 0.067 19302 299 1 . 1 1 56 56 CYS C C 56 172.619 172.619 172.971 -0.352 19302 300 1 . 1 1 56 56 CYS CA C 56 58.099 58.099 57.587 0.512 19302 301 1 . 1 1 56 56 CYS CB C 56 28.338 28.338 30.178 -1.840 19302 302 1 . 1 1 56 56 CYS H H 56 7.379 7.379 8.052 -0.672 19302 303 1 . 1 1 57 57 CYS N N 57 124.705 124.705 121.088 3.617 19302 304 1 . 1 1 57 57 CYS HA H 57 5.380 5.380 4.949 0.431 19302 305 1 . 1 1 57 57 CYS C C 57 160.640 160.640 172.411 -11.771 19302 306 1 . 1 1 57 57 CYS CA C 57 54.521 54.521 55.913 -1.392 19302 307 1 . 1 1 57 57 CYS CB C 57 32.506 32.506 31.278 1.228 19302 308 1 . 1 1 57 57 CYS H H 57 8.980 8.980 8.562 0.418 19302 309 1 . 1 1 58 58 ILE N N 58 118.279 118.279 119.645 -1.366 19302 310 1 . 1 1 58 58 ILE HA H 58 5.181 5.181 5.018 0.163 19302 311 1 . 1 1 58 58 ILE C C 58 175.707 175.707 174.197 1.510 19302 312 1 . 1 1 58 58 ILE CA C 58 58.535 58.535 60.133 -1.598 19302 313 1 . 1 1 58 58 ILE CB C 58 41.538 41.538 41.973 -0.435 19302 314 1 . 1 1 58 58 ILE H H 58 8.960 8.960 8.556 0.404 19302 315 1 . 1 1 59 59 LEU N N 59 130.422 130.422 127.040 3.382 19302 316 1 . 1 1 59 59 LEU HA H 59 4.716 4.716 4.768 -0.052 19302 317 1 . 1 1 59 59 LEU C C 59 172.275 172.275 174.475 -2.200 19302 318 1 . 1 1 59 59 LEU CA C 59 53.756 53.756 53.341 0.415 19302 319 1 . 1 1 59 59 LEU CB C 59 42.530 42.530 45.989 -3.459 19302 320 1 . 1 1 59 59 LEU H H 59 9.078 9.078 8.477 0.601 19302 321 1 . 1 1 60 60 TYR N N 60 129.820 129.820 126.483 3.337 19302 322 1 . 1 1 60 60 TYR HA H 60 5.110 5.110 4.685 0.425 19302 323 1 . 1 1 60 60 TYR C C 60 174.911 174.911 174.393 0.518 19302 324 1 . 1 1 60 60 TYR CA C 60 56.689 56.689 57.698 -1.009 19302 325 1 . 1 1 60 60 TYR CB C 60 41.643 41.643 39.470 2.173 19302 326 1 . 1 1 60 60 TYR H H 60 10.120 10.120 8.800 1.320 19302 327 1 . 1 1 61 61 VAL N N 61 132.504 132.504 127.335 5.169 19302 328 1 . 1 1 61 61 VAL HA H 61 4.232 4.232 4.322 -0.089 19302 329 1 . 1 1 61 61 VAL C C 61 174.433 174.433 174.540 -0.107 19302 330 1 . 1 1 61 61 VAL CA C 61 61.641 61.641 60.352 1.289 19302 331 1 . 1 1 61 61 VAL CB C 61 33.305 33.305 35.291 -1.986 19302 332 1 . 1 1 61 61 VAL H H 61 8.903 8.903 8.478 0.425 19302 333 1 . 1 1 62 62 THR N N 62 116.863 116.863 116.115 0.748 19302 334 1 . 1 1 62 62 THR HA H 62 4.024 4.024 4.678 -0.654 19302 335 1 . 1 1 62 62 THR C C 62 175.118 175.118 175.287 -0.169 19302 336 1 . 1 1 62 62 THR CA C 62 60.650 60.650 59.389 1.261 19302 337 1 . 1 1 62 62 THR CB C 62 72.134 72.134 71.465 0.669 19302 338 1 . 1 1 62 62 THR H H 62 8.559 8.559 8.432 0.127 19302 339 1 . 1 1 63 63 GLU N N 63 120.767 120.767 126.456 -5.689 19302 340 1 . 1 1 63 63 GLU HA H 63 3.776 3.776 3.826 -0.050 19302 341 1 . 1 1 63 63 GLU C C 63 177.194 177.194 177.614 -0.420 19302 342 1 . 1 1 63 63 GLU CA C 63 60.496 60.496 60.371 0.125 19302 343 1 . 1 1 63 63 GLU CB C 63 30.709 30.709 29.447 1.262 19302 344 1 . 1 1 63 63 GLU H H 63 9.165 9.165 8.737 0.428 19302 345 1 . 1 1 64 64 ALA N N 64 119.167 119.167 120.970 -1.803 19302 346 1 . 1 1 64 64 ALA HA H 64 3.998 3.998 4.017 -0.019 19302 347 1 . 1 1 64 64 ALA C C 64 180.477 180.477 179.631 0.846 19302 348 1 . 1 1 64 64 ALA CA C 64 54.912 54.912 54.828 0.084 19302 349 1 . 1 1 64 64 ALA CB C 64 17.899 17.899 18.183 -0.284 19302 350 1 . 1 1 64 64 ALA H H 64 7.919 7.919 7.862 0.057 19302 351 1 . 1 1 65 65 ASP N N 65 119.995 119.995 118.666 1.329 19302 352 1 . 1 1 65 65 ASP HA H 65 4.026 4.026 4.388 -0.362 19302 353 1 . 1 1 65 65 ASP C C 65 177.891 177.891 178.153 -0.262 19302 354 1 . 1 1 65 65 ASP CA C 65 57.412 57.412 56.557 0.855 19302 355 1 . 1 1 65 65 ASP CB C 65 41.112 41.112 40.557 0.555 19302 356 1 . 1 1 65 65 ASP H H 65 7.851 7.851 8.414 -0.563 19302 357 1 . 1 1 66 66 LEU N N 66 118.585 118.585 121.115 -2.530 19302 358 1 . 1 1 66 66 LEU HA H 66 3.813 3.813 4.017 -0.204 19302 359 1 . 1 1 66 66 LEU C C 66 178.892 178.892 178.323 0.569 19302 360 1 . 1 1 66 66 LEU CA C 66 56.943 56.943 57.704 -0.761 19302 361 1 . 1 1 66 66 LEU CB C 66 41.700 41.700 42.102 -0.402 19302 362 1 . 1 1 66 66 LEU H H 66 7.210 7.210 7.429 -0.219 19302 363 1 . 1 1 67 67 VAL N N 67 117.714 117.714 117.245 0.469 19302 364 1 . 1 1 67 67 VAL HA H 67 3.088 3.088 3.647 -0.559 19302 365 1 . 1 1 67 67 VAL C C 67 177.430 177.430 177.099 0.331 19302 366 1 . 1 1 67 67 VAL CA C 67 64.392 64.392 65.038 -0.646 19302 367 1 . 1 1 67 67 VAL CB C 67 31.974 31.974 31.534 0.440 19302 368 1 . 1 1 67 67 VAL H H 67 7.774 7.774 7.823 -0.049 19302 369 1 . 1 1 68 68 ALA N N 68 120.210 120.210 120.940 -0.730 19302 370 1 . 1 1 68 68 ALA HA H 68 3.992 3.992 4.345 -0.353 19302 371 1 . 1 1 68 68 ALA C C 68 178.127 178.127 177.921 0.206 19302 372 1 . 1 1 68 68 ALA CA C 68 53.540 53.540 52.873 0.666 19302 373 1 . 1 1 68 68 ALA CB C 68 18.849 18.849 19.448 -0.599 19302 374 1 . 1 1 68 68 ALA H H 68 7.336 7.336 7.523 -0.187 19302 375 1 . 1 1 69 69 GLY N N 69 106.149 106.149 108.003 -1.854 19302 376 1 . 1 1 69 69 GLY C C 69 173.298 173.298 174.160 -0.862 19302 377 1 . 1 1 69 69 GLY CA C 69 45.057 45.057 45.735 -0.678 19302 378 1 . 1 1 69 69 GLY H H 69 7.143 7.143 8.284 -1.141 19302 379 1 . 1 1 70 70 ASN N N 70 118.879 118.879 118.686 0.193 19302 380 1 . 1 1 70 70 ASN HA H 70 4.855 4.855 4.675 0.180 19302 381 1 . 1 1 70 70 ASN C C 70 177.766 177.766 175.365 2.401 19302 382 1 . 1 1 70 70 ASN CA C 70 52.611 52.611 53.571 -0.960 19302 383 1 . 1 1 70 70 ASN CB C 70 38.356 38.356 38.658 -0.302 19302 384 1 . 1 1 70 70 ASN H H 70 8.316 8.316 8.137 0.179 19302 385 1 . 1 1 71 71 GLY N N 71 114.725 114.725 109.312 5.413 19302 386 1 . 1 1 71 71 GLY C C 71 176.515 176.515 174.985 1.530 19302 387 1 . 1 1 71 71 GLY CA C 71 47.575 47.575 45.651 1.925 19302 388 1 . 1 1 71 71 GLY H H 71 8.812 8.812 8.144 0.667 19302 389 1 . 1 1 72 72 TYR N N 72 118.594 118.594 123.178 -4.584 19302 390 1 . 1 1 72 72 TYR HA H 72 4.182 4.182 4.334 -0.152 19302 391 1 . 1 1 72 72 TYR C C 72 176.205 176.205 176.707 -0.502 19302 392 1 . 1 1 72 72 TYR CA C 72 59.287 59.287 60.039 -0.752 19302 393 1 . 1 1 72 72 TYR CB C 72 37.305 37.305 38.685 -1.380 19302 394 1 . 1 1 72 72 TYR H H 72 8.067 8.067 8.120 -0.053 19302 395 1 . 1 1 73 73 ARG N N 73 119.967 119.967 119.470 0.497 19302 396 1 . 1 1 73 73 ARG HA H 73 3.261 3.261 3.903 -0.643 19302 397 1 . 1 1 73 73 ARG C C 73 177.612 177.612 177.927 -0.315 19302 398 1 . 1 1 73 73 ARG CA C 73 59.984 59.984 59.559 0.425 19302 399 1 . 1 1 73 73 ARG CB C 73 29.286 29.286 29.822 -0.536 19302 400 1 . 1 1 73 73 ARG H H 73 6.715 6.715 8.400 -1.685 19302 401 1 . 1 1 74 74 LYS N N 74 116.928 116.928 118.124 -1.196 19302 402 1 . 1 1 74 74 LYS HA H 74 3.728 3.728 4.000 -0.272 19302 403 1 . 1 1 74 74 LYS C C 74 179.161 179.161 178.848 0.313 19302 404 1 . 1 1 74 74 LYS CA C 74 59.770 59.770 59.180 0.590 19302 405 1 . 1 1 74 74 LYS CB C 74 32.037 32.037 32.036 0.001 19302 406 1 . 1 1 74 74 LYS H H 74 7.169 7.169 7.889 -0.720 19302 407 1 . 1 1 75 75 ARG N N 75 117.727 117.727 119.125 -1.398 19302 408 1 . 1 1 75 75 ARG HA H 75 3.753 3.753 3.948 -0.195 19302 409 1 . 1 1 75 75 ARG C C 75 177.176 177.176 178.522 -1.346 19302 410 1 . 1 1 75 75 ARG CA C 75 59.596 59.596 58.594 1.002 19302 411 1 . 1 1 75 75 ARG CB C 75 31.110 31.110 29.393 1.717 19302 412 1 . 1 1 75 75 ARG H H 75 7.511 7.511 7.691 -0.180 19302 413 1 . 1 1 76 76 LEU N N 76 118.105 118.105 118.955 -0.850 19302 414 1 . 1 1 76 76 LEU HA H 76 3.575 3.575 3.960 -0.385 19302 415 1 . 1 1 76 76 LEU C C 76 178.325 178.325 178.679 -0.354 19302 416 1 . 1 1 76 76 LEU CA C 76 59.496 59.496 57.629 1.867 19302 417 1 . 1 1 76 76 LEU CB C 76 41.124 41.124 41.811 -0.687 19302 418 1 . 1 1 76 76 LEU H H 76 6.770 6.770 7.490 -0.720 19302 419 1 . 1 1 77 77 VAL N N 77 117.854 117.854 119.026 -1.172 19302 420 1 . 1 1 77 77 VAL HA H 77 3.243 3.243 3.602 -0.359 19302 421 1 . 1 1 77 77 VAL C C 77 177.335 177.335 177.908 -0.573 19302 422 1 . 1 1 77 77 VAL CA C 77 66.596 66.596 66.168 0.428 19302 423 1 . 1 1 77 77 VAL CB C 77 31.703 31.703 31.253 0.450 19302 424 1 . 1 1 77 77 VAL H H 77 7.800 7.800 7.606 0.194 19302 425 1 . 1 1 78 78 ARG N N 78 118.783 118.783 119.830 -1.047 19302 426 1 . 1 1 78 78 ARG HA H 78 3.872 3.872 3.991 -0.119 19302 427 1 . 1 1 78 78 ARG C C 78 179.484 179.484 178.532 0.952 19302 428 1 . 1 1 78 78 ARG CA C 78 59.337 59.337 59.146 0.192 19302 429 1 . 1 1 78 78 ARG CB C 78 29.921 29.921 29.675 0.247 19302 430 1 . 1 1 78 78 ARG H H 78 7.385 7.385 7.631 -0.246 19302 431 1 . 1 1 79 79 VAL N N 79 118.747 118.747 118.020 0.727 19302 432 1 . 1 1 79 79 VAL HA H 79 3.434 3.434 3.698 -0.264 19302 433 1 . 1 1 79 79 VAL C C 79 177.902 177.902 177.434 0.468 19302 434 1 . 1 1 79 79 VAL CA C 79 66.771 66.771 66.163 0.608 19302 435 1 . 1 1 79 79 VAL CB C 79 31.327 31.327 31.594 -0.267 19302 436 1 . 1 1 79 79 VAL H H 79 7.374 7.374 7.706 -0.332 19302 437 1 . 1 1 80 80 ARG N N 80 122.868 122.868 118.626 4.242 19302 438 1 . 1 1 80 80 ARG HA H 80 3.960 3.960 4.131 -0.171 19302 439 1 . 1 1 80 80 ARG C C 80 177.893 177.893 177.880 0.013 19302 440 1 . 1 1 80 80 ARG CA C 80 58.256 58.256 58.497 -0.241 19302 441 1 . 1 1 80 80 ARG CB C 80 29.141 29.141 30.132 -0.991 19302 442 1 . 1 1 80 80 ARG H H 80 8.268 8.268 7.968 0.300 19302 443 1 . 1 1 81 81 ASN N N 81 115.469 115.469 116.835 -1.366 19302 444 1 . 1 1 81 81 ASN HA H 81 4.528 4.528 4.534 -0.006 19302 445 1 . 1 1 81 81 ASN C C 81 175.329 175.329 176.669 -1.340 19302 446 1 . 1 1 81 81 ASN CA C 81 53.553 53.553 55.235 -1.682 19302 447 1 . 1 1 81 81 ASN CB C 81 38.358 38.358 38.611 -0.253 19302 448 1 . 1 1 81 81 ASN H H 81 7.878 7.878 8.087 -0.210 19302 449 1 . 1 1 82 82 SER N N 82 117.226 117.226 115.071 2.155 19302 450 1 . 1 1 82 82 SER HA H 82 4.350 4.350 4.271 0.079 19302 451 1 . 1 1 82 82 SER C C 82 175.243 175.243 174.865 0.378 19302 452 1 . 1 1 82 82 SER CA C 82 59.045 59.045 60.451 -1.406 19302 453 1 . 1 1 82 82 SER CB C 82 63.929 63.929 63.587 0.342 19302 454 1 . 1 1 82 82 SER H H 82 7.528 7.528 7.936 -0.408 19302 455 1 . 1 1 83 83 ASN N N 83 121.059 121.059 117.347 3.712 19302 456 1 . 1 1 83 83 ASN HA H 83 4.402 4.402 4.741 -0.339 19302 457 1 . 1 1 83 83 ASN C C 83 175.260 175.260 173.658 1.602 19302 458 1 . 1 1 83 83 ASN CA C 83 54.583 54.583 53.353 1.230 19302 459 1 . 1 1 83 83 ASN CB C 83 38.909 38.909 39.433 -0.524 19302 460 1 . 1 1 83 83 ASN H H 83 8.348 8.348 8.294 0.054 19302 461 1 . 1 1 84 84 ASN N N 84 117.070 117.070 118.399 -1.329 19302 462 1 . 1 1 84 84 ASN HA H 84 4.422 4.422 4.869 -0.447 19302 463 1 . 1 1 84 84 ASN C C 84 173.609 173.609 173.857 -0.248 19302 464 1 . 1 1 84 84 ASN CA C 84 53.753 53.753 53.095 0.658 19302 465 1 . 1 1 84 84 ASN CB C 84 38.551 38.551 38.653 -0.102 19302 466 1 . 1 1 84 84 ASN H H 84 8.466 8.466 8.423 0.043 19302 467 1 . 1 1 85 85 LEU N N 85 119.048 119.048 120.452 -1.404 19302 468 1 . 1 1 85 85 LEU HA H 85 4.518 4.518 4.655 -0.137 19302 469 1 . 1 1 85 85 LEU C C 85 175.397 175.397 176.569 -1.172 19302 470 1 . 1 1 85 85 LEU CA C 85 54.094 54.094 54.298 -0.204 19302 471 1 . 1 1 85 85 LEU CB C 85 44.902 44.902 43.234 1.668 19302 472 1 . 1 1 85 85 LEU H H 85 7.453 7.453 7.940 -0.487 19302 473 1 . 1 1 86 86 LYS N N 86 125.959 125.959 121.561 4.398 19302 474 1 . 1 1 86 86 LYS HA H 86 4.397 4.397 4.540 -0.143 19302 475 1 . 1 1 86 86 LYS C C 86 175.209 175.209 176.028 -0.819 19302 476 1 . 1 1 86 86 LYS CA C 86 54.934 54.934 55.603 -0.669 19302 477 1 . 1 1 86 86 LYS CB C 86 33.581 33.581 32.083 1.498 19302 478 1 . 1 1 86 86 LYS H H 86 8.242 8.242 8.473 -0.231 19302 479 1 . 1 1 87 87 GLY N N 87 113.359 113.359 110.983 2.376 19302 480 1 . 1 1 87 87 GLY C C 87 171.780 171.780 172.851 -1.071 19302 481 1 . 1 1 87 87 GLY CA C 87 44.894 44.894 43.709 1.185 19302 482 1 . 1 1 87 87 GLY H H 87 8.840 8.840 8.115 0.725 19302 483 1 . 1 1 88 88 ILE N N 88 125.743 125.743 121.327 4.416 19302 484 1 . 1 1 88 88 ILE HA H 88 4.077 4.077 4.708 -0.631 19302 485 1 . 1 1 88 88 ILE C C 88 174.254 174.254 175.154 -0.900 19302 486 1 . 1 1 88 88 ILE CA C 88 60.766 60.766 60.869 -0.103 19302 487 1 . 1 1 88 88 ILE CB C 88 40.483 40.483 40.505 -0.022 19302 488 1 . 1 1 88 88 ILE H H 88 8.411 8.411 8.604 -0.193 19302 489 1 . 1 1 89 89 VAL N N 89 129.556 129.556 127.194 2.362 19302 490 1 . 1 1 89 89 VAL HA H 89 4.762 4.762 4.506 0.256 19302 491 1 . 1 1 89 89 VAL C C 89 174.205 174.205 175.093 -0.888 19302 492 1 . 1 1 89 89 VAL CA C 89 61.224 61.224 61.181 0.043 19302 493 1 . 1 1 89 89 VAL CB C 89 31.924 31.924 32.249 -0.325 19302 494 1 . 1 1 89 89 VAL H H 89 8.859 8.859 9.101 -0.242 19302 495 1 . 1 1 90 90 VAL N N 90 130.678 130.678 128.304 2.374 19302 496 1 . 1 1 90 90 VAL HA H 90 4.804 4.804 4.466 0.338 19302 497 1 . 1 1 90 90 VAL C C 90 173.650 173.650 174.828 -1.178 19302 498 1 . 1 1 90 90 VAL CA C 90 60.478 60.478 61.210 -0.732 19302 499 1 . 1 1 90 90 VAL CB C 90 33.666 33.666 33.331 0.335 19302 500 1 . 1 1 90 90 VAL H H 90 8.747 8.747 8.732 0.015 19302 501 1 . 1 1 91 91 VAL N N 91 122.793 122.793 125.200 -2.406 19302 502 1 . 1 1 91 91 VAL HA H 91 5.019 5.019 4.420 0.599 19302 503 1 . 1 1 91 91 VAL C C 91 173.241 173.241 174.414 -1.173 19302 504 1 . 1 1 91 91 VAL CA C 91 56.898 56.898 60.014 -3.116 19302 505 1 . 1 1 91 91 VAL CB C 91 35.349 35.349 35.235 0.114 19302 506 1 . 1 1 91 91 VAL H H 91 7.758 7.758 8.173 -0.415 19302 507 1 . 1 1 92 92 GLU N N 92 125.925 125.925 125.380 0.545 19302 508 1 . 1 1 92 92 GLU HA H 92 4.208 4.208 4.478 -0.270 19302 509 1 . 1 1 92 92 GLU C C 92 173.665 173.665 175.182 -1.517 19302 510 1 . 1 1 92 92 GLU CA C 92 55.740 55.740 54.770 0.970 19302 511 1 . 1 1 92 92 GLU CB C 92 29.433 29.433 31.470 -2.037 19302 512 1 . 1 1 92 92 GLU H H 92 7.501 7.501 8.357 -0.856 19302 513 1 . 1 1 93 93 LYS N N 93 132.415 132.415 126.766 5.649 19302 514 1 . 1 1 93 93 LYS HA H 93 4.033 4.033 4.190 -0.157 19302 515 1 . 1 1 93 93 LYS C C 93 173.582 173.582 176.088 -2.506 19302 516 1 . 1 1 93 93 LYS CA C 93 55.460 55.460 56.797 -1.337 19302 517 1 . 1 1 93 93 LYS CB C 93 33.506 33.506 32.779 0.727 19302 518 1 . 1 1 93 93 LYS H H 93 9.015 9.015 8.535 0.480 19302 519 1 . 1 1 94 94 THR N N 94 118.315 118.315 116.540 1.775 19302 520 1 . 1 1 94 94 THR HA H 94 4.600 4.600 4.544 0.056 19302 521 1 . 1 1 94 94 THR C C 94 174.933 174.933 174.442 0.491 19302 522 1 . 1 1 94 94 THR CA C 94 58.678 58.678 62.661 -3.983 19302 523 1 . 1 1 94 94 THR CB C 94 72.561 72.561 70.479 2.082 19302 524 1 . 1 1 94 94 THR H H 94 8.288 8.288 8.508 -0.220 19302 525 1 . 1 1 95 95 ARG N N 95 119.684 119.684 119.383 0.301 19302 526 1 . 1 1 95 95 ARG HA H 95 3.960 3.960 4.626 -0.666 19302 527 1 . 1 1 95 95 ARG C C 95 178.617 178.617 177.289 1.328 19302 528 1 . 1 1 95 95 ARG CA C 95 59.240 59.240 56.940 2.300 19302 529 1 . 1 1 95 95 ARG CB C 95 29.480 29.480 31.219 -1.739 19302 530 1 . 1 1 95 95 ARG H H 95 8.719 8.719 8.204 0.515 19302 531 1 . 1 1 96 96 MET N N 96 115.656 115.656 120.101 -4.446 19302 532 1 . 1 1 96 96 MET HA H 96 4.332 4.332 4.425 -0.093 19302 533 1 . 1 1 96 96 MET C C 96 177.312 177.312 177.393 -0.081 19302 534 1 . 1 1 96 96 MET CA C 96 56.615 56.615 56.754 -0.139 19302 535 1 . 1 1 96 96 MET CB C 96 32.723 32.723 32.178 0.545 19302 536 1 . 1 1 96 96 MET H H 96 7.895 7.895 8.555 -0.660 19302 537 1 . 1 1 97 97 SER N N 97 114.024 114.024 117.325 -3.301 19302 538 1 . 1 1 97 97 SER HA H 97 4.648 4.648 4.211 0.437 19302 539 1 . 1 1 97 97 SER C C 97 176.743 176.743 176.016 0.728 19302 540 1 . 1 1 97 97 SER CA C 97 58.484 58.484 61.725 -3.241 19302 541 1 . 1 1 97 97 SER CB C 97 65.103 65.103 62.496 2.607 19302 542 1 . 1 1 97 97 SER H H 97 8.108 8.108 8.450 -0.342 19302 543 1 . 1 1 98 98 GLU N N 98 124.701 124.701 120.417 4.284 19302 544 1 . 1 1 98 98 GLU HA H 98 3.689 3.689 4.185 -0.496 19302 545 1 . 1 1 98 98 GLU C C 98 178.994 178.994 178.172 0.822 19302 546 1 . 1 1 98 98 GLU CA C 98 60.482 60.482 59.217 1.265 19302 547 1 . 1 1 98 98 GLU CB C 98 29.096 29.096 28.808 0.288 19302 548 1 . 1 1 98 98 GLU H H 98 8.229 8.229 8.791 -0.562 19302 549 1 . 1 1 99 99 GLN N N 99 117.637 117.637 117.374 0.263 19302 550 1 . 1 1 99 99 GLN HA H 99 4.008 4.008 4.166 -0.158 19302 551 1 . 1 1 99 99 GLN C C 99 176.402 176.402 177.570 -1.168 19302 552 1 . 1 1 99 99 GLN CA C 99 58.127 58.127 58.448 -0.321 19302 553 1 . 1 1 99 99 GLN CB C 99 28.135 28.135 29.518 -1.383 19302 554 1 . 1 1 99 99 GLN H H 99 8.464 8.464 7.844 0.620 19302 555 1 . 1 1 100 100 TYR N N 100 118.538 118.538 116.231 2.307 19302 556 1 . 1 1 100 100 TYR HA H 100 4.512 4.512 4.693 -0.181 19302 557 1 . 1 1 100 100 TYR C C 100 176.132 176.132 176.247 -0.115 19302 558 1 . 1 1 100 100 TYR CA C 100 58.029 58.029 57.314 0.714 19302 559 1 . 1 1 100 100 TYR CB C 100 39.600 39.600 39.765 -0.165 19302 560 1 . 1 1 100 100 TYR H H 100 7.688 7.688 8.223 -0.535 19302 561 1 . 1 1 101 101 PHE N N 101 121.713 121.713 122.953 -1.240 19302 562 1 . 1 1 101 101 PHE HA H 101 4.098 4.098 4.434 -0.336 19302 563 1 . 1 1 101 101 PHE C C 101 173.115 173.115 174.094 -0.979 19302 564 1 . 1 1 101 101 PHE CA C 101 63.389 63.389 61.783 1.606 19302 565 1 . 1 1 101 101 PHE CB C 101 37.438 37.438 36.815 0.623 19302 566 1 . 1 1 101 101 PHE H H 101 7.916 7.916 9.196 -1.280 19302 567 1 . 1 1 102 102 PRO HA H 102 4.078 4.078 3.708 0.370 19302 568 1 . 1 1 102 102 PRO C C 102 179.371 179.371 178.080 1.291 19302 569 1 . 1 1 102 102 PRO CA C 102 67.173 67.173 65.452 1.721 19302 570 1 . 1 1 102 102 PRO CB C 102 30.497 30.497 30.591 -0.094 19302 571 1 . 1 1 103 103 ALA N N 103 119.259 119.259 119.782 -0.522 19302 572 1 . 1 1 103 103 ALA HA H 103 4.043 4.043 3.977 0.066 19302 573 1 . 1 1 103 103 ALA C C 103 180.693 180.693 179.731 0.963 19302 574 1 . 1 1 103 103 ALA CA C 103 54.322 54.322 54.635 -0.313 19302 575 1 . 1 1 103 103 ALA CB C 103 18.420 18.420 17.841 0.579 19302 576 1 . 1 1 103 103 ALA H H 103 8.030 8.030 8.077 -0.047 19302 577 1 . 1 1 104 104 LEU N N 104 121.207 121.207 119.079 2.128 19302 578 1 . 1 1 104 104 LEU HA H 104 4.164 4.164 4.060 0.104 19302 579 1 . 1 1 104 104 LEU C C 104 179.295 179.295 178.342 0.953 19302 580 1 . 1 1 104 104 LEU CA C 104 58.235 58.235 57.557 0.678 19302 581 1 . 1 1 104 104 LEU CB C 104 41.154 41.154 42.042 -0.888 19302 582 1 . 1 1 104 104 LEU H H 104 7.161 7.161 7.448 -0.287 19302 583 1 . 1 1 105 105 GLN N N 105 123.941 123.941 119.463 4.478 19302 584 1 . 1 1 105 105 GLN HA H 105 3.451 3.451 3.882 -0.431 19302 585 1 . 1 1 105 105 GLN C C 105 176.984 176.984 178.412 -1.428 19302 586 1 . 1 1 105 105 GLN CA C 105 59.986 59.986 59.093 0.893 19302 587 1 . 1 1 105 105 GLN CB C 105 27.878 27.878 28.227 -0.349 19302 588 1 . 1 1 105 105 GLN H H 105 8.836 8.836 7.815 1.021 19302 589 1 . 1 1 106 106 LYS N N 106 119.943 119.943 119.532 0.410 19302 590 1 . 1 1 106 106 LYS HA H 106 3.752 3.752 4.023 -0.271 19302 591 1 . 1 1 106 106 LYS C C 106 177.834 177.834 178.889 -1.055 19302 592 1 . 1 1 106 106 LYS CA C 106 60.337 60.337 59.358 0.979 19302 593 1 . 1 1 106 106 LYS CB C 106 32.380 32.380 32.200 0.180 19302 594 1 . 1 1 106 106 LYS H H 106 7.692 7.692 8.046 -0.354 19302 595 1 . 1 1 107 107 PHE N N 107 117.769 117.769 119.055 -1.286 19302 596 1 . 1 1 107 107 PHE HA H 107 4.378 4.378 4.365 0.012 19302 597 1 . 1 1 107 107 PHE C C 107 176.089 176.089 177.657 -1.568 19302 598 1 . 1 1 107 107 PHE CA C 107 60.327 60.327 61.464 -1.137 19302 599 1 . 1 1 107 107 PHE CB C 107 40.477 40.477 39.234 1.243 19302 600 1 . 1 1 107 107 PHE H H 107 7.514 7.514 7.831 -0.317 19302 601 1 . 1 1 108 108 THR N N 108 112.966 112.966 115.951 -2.984 19302 602 1 . 1 1 108 108 THR HA H 108 3.196 3.196 3.972 -0.776 19302 603 1 . 1 1 108 108 THR C C 108 174.656 174.656 176.814 -2.158 19302 604 1 . 1 1 108 108 THR CA C 108 67.885 67.885 66.855 1.030 19302 605 1 . 1 1 108 108 THR CB C 108 69.292 69.292 68.493 0.799 19302 606 1 . 1 1 108 108 THR H H 108 8.541 8.541 8.784 -0.243 19302 607 1 . 1 1 109 109 VAL N N 109 118.515 118.515 122.206 -3.691 19302 608 1 . 1 1 109 109 VAL HA H 109 3.953 3.953 3.769 0.184 19302 609 1 . 1 1 109 109 VAL C C 109 178.009 178.009 177.822 0.187 19302 610 1 . 1 1 109 109 VAL CA C 109 65.110 65.110 66.551 -1.441 19302 611 1 . 1 1 109 109 VAL CB C 109 32.327 32.327 31.584 0.743 19302 612 1 . 1 1 109 109 VAL H H 109 8.065 8.065 7.854 0.211 19302 613 1 . 1 1 110 110 LEU N N 110 118.627 118.627 119.276 -0.649 19302 614 1 . 1 1 110 110 LEU HA H 110 4.157 4.157 3.964 0.193 19302 615 1 . 1 1 110 110 LEU C C 110 178.351 178.351 178.262 0.089 19302 616 1 . 1 1 110 110 LEU CA C 110 57.133 57.133 57.486 -0.353 19302 617 1 . 1 1 110 110 LEU CB C 110 40.985 40.985 41.605 -0.620 19302 618 1 . 1 1 110 110 LEU H H 110 7.224 7.224 7.682 -0.458 19302 619 1 . 1 1 111 111 ASP N N 111 119.092 119.092 119.055 0.037 19302 620 1 . 1 1 111 111 ASP HA H 111 4.325 4.325 4.538 -0.213 19302 621 1 . 1 1 111 111 ASP C C 111 178.644 178.644 177.670 0.974 19302 622 1 . 1 1 111 111 ASP CA C 111 57.243 57.243 56.796 0.447 19302 623 1 . 1 1 111 111 ASP CB C 111 39.330 39.330 41.894 -2.564 19302 624 1 . 1 1 111 111 ASP H H 111 7.719 7.719 8.240 -0.521 19302 625 1 . 1 1 112 112 LEU N N 112 114.990 114.990 117.065 -2.075 19302 626 1 . 1 1 112 112 LEU HA H 112 4.044 4.044 4.517 -0.473 19302 627 1 . 1 1 112 112 LEU C C 112 177.936 177.936 177.379 0.557 19302 628 1 . 1 1 112 112 LEU CA C 112 55.507 55.507 54.725 0.782 19302 629 1 . 1 1 112 112 LEU CB C 112 42.142 42.142 43.679 -1.537 19302 630 1 . 1 1 112 112 LEU H H 112 7.306 7.306 8.176 -0.870 19302 631 1 . 1 1 113 113 GLY N N 113 108.097 108.097 107.911 0.186 19302 632 1 . 1 1 113 113 GLY C C 113 175.161 175.161 174.701 0.460 19302 633 1 . 1 1 113 113 GLY CA C 113 47.080 47.080 46.211 0.869 19302 634 1 . 1 1 113 113 GLY H H 113 6.651 6.651 7.823 -1.172 19302 635 1 . 1 1 114 114 MET N N 114 119.916 119.916 117.977 1.939 19302 636 1 . 1 1 114 114 MET HA H 114 4.441 4.441 4.483 -0.042 19302 637 1 . 1 1 114 114 MET C C 114 174.467 174.467 175.693 -1.226 19302 638 1 . 1 1 114 114 MET CA C 114 55.303 55.303 55.139 0.164 19302 639 1 . 1 1 114 114 MET CB C 114 35.820 35.820 34.454 1.366 19302 640 1 . 1 1 114 114 MET H H 114 8.107 8.107 7.595 0.512 19302 641 1 . 1 1 115 115 VAL N N 115 120.592 120.592 120.665 -0.073 19302 642 1 . 1 1 115 115 VAL HA H 115 3.723 3.723 4.280 -0.557 19302 643 1 . 1 1 115 115 VAL C C 115 173.084 173.084 174.289 -1.205 19302 644 1 . 1 1 115 115 VAL CA C 115 62.921 62.921 61.747 1.174 19302 645 1 . 1 1 115 115 VAL CB C 115 33.192 33.192 32.130 1.063 19302 646 1 . 1 1 115 115 VAL H H 115 7.414 7.414 8.214 -0.800 19302 647 1 . 1 1 116 116 LEU N N 116 128.303 128.303 128.828 -0.525 19302 648 1 . 1 1 116 116 LEU HA H 116 5.176 5.176 5.185 -0.009 19302 649 1 . 1 1 116 116 LEU C C 116 175.304 175.304 176.316 -1.012 19302 650 1 . 1 1 116 116 LEU CA C 116 53.335 53.335 53.909 -0.574 19302 651 1 . 1 1 116 116 LEU CB C 116 45.512 45.512 43.957 1.555 19302 652 1 . 1 1 116 116 LEU H H 116 7.872 7.872 8.567 -0.695 19302 653 1 . 1 1 117 117 LEU N N 117 129.470 129.470 125.937 3.533 19302 654 1 . 1 1 117 117 LEU HA H 117 4.922 4.922 4.859 0.063 19302 655 1 . 1 1 117 117 LEU C C 117 173.512 173.512 174.673 -1.161 19302 656 1 . 1 1 117 117 LEU CA C 117 51.061 51.061 52.305 -1.244 19302 657 1 . 1 1 117 117 LEU CB C 117 43.824 43.824 44.614 -0.791 19302 658 1 . 1 1 117 117 LEU H H 117 9.331 9.331 8.633 0.698 19302 659 1 . 1 1 118 118 PRO HA H 118 5.167 5.167 4.726 0.441 19302 660 1 . 1 1 118 118 PRO C C 118 176.784 176.784 176.092 0.692 19302 661 1 . 1 1 118 118 PRO CA C 118 61.019 61.019 62.542 -1.523 19302 662 1 . 1 1 118 118 PRO CB C 118 32.806 32.806 32.347 0.459 19302 663 1 . 1 1 119 119 VAL N N 119 114.345 114.345 117.199 -2.854 19302 664 1 . 1 1 119 119 VAL HA H 119 4.507 4.507 4.377 0.130 19302 665 1 . 1 1 119 119 VAL C C 119 174.881 174.881 174.970 -0.089 19302 666 1 . 1 1 119 119 VAL CA C 119 59.150 59.150 60.646 -1.495 19302 667 1 . 1 1 119 119 VAL CB C 119 36.847 36.847 32.821 4.026 19302 668 1 . 1 1 119 119 VAL H H 119 8.775 8.775 8.454 0.321 19302 669 1 . 1 1 120 120 ALA N N 120 121.458 121.458 119.661 1.797 19302 670 1 . 1 1 120 120 ALA HA H 120 4.335 4.335 4.425 -0.090 19302 671 1 . 1 1 120 120 ALA C C 120 177.637 177.637 175.747 1.890 19302 672 1 . 1 1 120 120 ALA CA C 120 52.662 52.662 52.481 0.181 19302 673 1 . 1 1 120 120 ALA CB C 120 19.817 19.817 19.673 0.144 19302 674 1 . 1 1 120 120 ALA H H 120 8.740 8.740 8.331 0.409 19302 675 1 . 1 1 121 121 SER N N 121 106.201 106.201 113.040 -6.839 19302 676 1 . 1 1 121 121 SER HA H 121 4.523 4.523 4.745 -0.222 19302 677 1 . 1 1 121 121 SER C C 121 173.940 173.940 174.999 -1.059 19302 678 1 . 1 1 121 121 SER CA C 121 56.668 56.668 56.896 -0.228 19302 679 1 . 1 1 121 121 SER CB C 121 66.057 66.057 65.424 0.633 19302 680 1 . 1 1 121 121 SER H H 121 7.147 7.147 7.761 -0.614 19302 681 1 . 1 1 122 122 GLN N N 122 120.942 120.942 121.364 -0.422 19302 682 1 . 1 1 122 122 GLN HA H 122 4.063 4.063 4.214 -0.151 19302 683 1 . 1 1 122 122 GLN C C 122 178.350 178.350 177.805 0.545 19302 684 1 . 1 1 122 122 GLN CA C 122 59.436 59.436 58.958 0.479 19302 685 1 . 1 1 122 122 GLN CB C 122 29.018 29.018 28.753 0.265 19302 686 1 . 1 1 122 122 GLN H H 122 9.055 9.055 8.911 0.145 19302 687 1 . 1 1 123 123 MET N N 123 118.978 118.978 118.043 0.935 19302 688 1 . 1 1 123 123 MET HA H 123 3.947 3.947 4.218 -0.271 19302 689 1 . 1 1 123 123 MET C C 123 179.161 179.161 178.274 0.887 19302 690 1 . 1 1 123 123 MET CA C 123 58.802 58.802 58.717 0.085 19302 691 1 . 1 1 123 123 MET CB C 123 31.305 31.305 32.198 -0.893 19302 692 1 . 1 1 123 123 MET H H 123 7.950 7.950 8.036 -0.086 19302 693 1 . 1 1 124 124 GLU N N 124 121.747 121.747 119.599 2.148 19302 694 1 . 1 1 124 124 GLU HA H 124 3.897 3.897 3.924 -0.027 19302 695 1 . 1 1 124 124 GLU C C 124 179.272 179.272 178.753 0.518 19302 696 1 . 1 1 124 124 GLU CA C 124 59.686 59.686 59.766 -0.080 19302 697 1 . 1 1 124 124 GLU CB C 124 29.943 29.943 28.972 0.971 19302 698 1 . 1 1 124 124 GLU H H 124 7.729 7.729 8.086 -0.357 19302 699 1 . 1 1 125 125 ALA N N 125 121.208 121.208 122.116 -0.908 19302 700 1 . 1 1 125 125 ALA HA H 125 3.827 3.827 3.987 -0.160 19302 701 1 . 1 1 125 125 ALA C C 125 178.068 178.068 179.599 -1.531 19302 702 1 . 1 1 125 125 ALA CA C 125 54.330 54.330 55.524 -1.194 19302 703 1 . 1 1 125 125 ALA CB C 125 19.232 19.232 18.279 0.954 19302 704 1 . 1 1 125 125 ALA H H 125 8.083 8.083 7.736 0.347 19302 705 1 . 1 1 126 126 SER N N 126 114.095 114.095 114.798 -0.703 19302 706 1 . 1 1 126 126 SER HA H 126 3.527 3.527 4.050 -0.523 19302 707 1 . 1 1 126 126 SER C C 126 175.129 175.129 176.756 -1.627 19302 708 1 . 1 1 126 126 SER CA C 126 62.161 62.161 61.812 0.349 19302 709 1 . 1 1 126 126 SER CB C 126 69.705 69.705 62.696 7.009 19302 710 1 . 1 1 126 126 SER H H 126 7.975 7.975 8.037 -0.062 19302 711 1 . 1 1 127 127 CYS N N 127 119.210 119.210 120.085 -0.875 19302 712 1 . 1 1 127 127 CYS HA H 127 3.819 3.819 4.331 -0.512 19302 713 1 . 1 1 127 127 CYS C C 127 177.016 177.016 176.531 0.485 19302 714 1 . 1 1 127 127 CYS CA C 127 62.351 62.351 61.848 0.503 19302 715 1 . 1 1 127 127 CYS CB C 127 26.714 26.714 27.145 -0.430 19302 716 1 . 1 1 127 127 CYS H H 127 6.869 6.869 8.375 -1.506 19302 717 1 . 1 1 128 128 LEU N N 128 122.342 122.342 122.367 -0.025 19302 718 1 . 1 1 128 128 LEU HA H 128 3.947 3.947 4.097 -0.149 19302 719 1 . 1 1 128 128 LEU C C 128 178.010 178.010 178.636 -0.626 19302 720 1 . 1 1 128 128 LEU CA C 128 57.860 57.860 57.984 -0.124 19302 721 1 . 1 1 128 128 LEU CB C 128 41.951 41.951 42.116 -0.165 19302 722 1 . 1 1 128 128 LEU H H 128 7.527 7.527 8.564 -1.037 19302 723 1 . 1 1 129 129 VAL N N 129 119.021 119.021 119.408 -0.387 19302 724 1 . 1 1 129 129 VAL HA H 129 3.035 3.035 3.626 -0.591 19302 725 1 . 1 1 129 129 VAL C C 129 177.035 177.035 177.893 -0.858 19302 726 1 . 1 1 129 129 VAL CA C 129 67.656 67.656 66.764 0.892 19302 727 1 . 1 1 129 129 VAL CB C 129 30.898 30.898 31.488 -0.590 19302 728 1 . 1 1 129 129 VAL H H 129 8.360 8.360 8.725 -0.365 19302 729 1 . 1 1 130 130 ILE N N 130 117.913 117.913 119.348 -1.435 19302 730 1 . 1 1 130 130 ILE HA H 130 3.292 3.292 3.536 -0.244 19302 731 1 . 1 1 130 130 ILE C C 130 177.834 177.834 177.633 0.201 19302 732 1 . 1 1 130 130 ILE CA C 130 64.592 64.592 65.211 -0.619 19302 733 1 . 1 1 130 130 ILE CB C 130 36.970 36.970 37.531 -0.561 19302 734 1 . 1 1 130 130 ILE H H 130 7.331 7.331 7.405 -0.074 19302 735 1 . 1 1 131 131 GLN N N 131 120.359 120.359 119.211 1.148 19302 736 1 . 1 1 131 131 GLN HA H 131 3.846 3.846 3.941 -0.095 19302 737 1 . 1 1 131 131 GLN C C 131 178.708 178.708 178.310 0.398 19302 738 1 . 1 1 131 131 GLN CA C 131 59.310 59.310 59.085 0.225 19302 739 1 . 1 1 131 131 GLN CB C 131 28.102 28.102 28.399 -0.297 19302 740 1 . 1 1 131 131 GLN H H 131 7.505 7.505 7.812 -0.307 19302 741 1 . 1 1 132 132 LEU N N 132 120.310 120.310 119.487 0.823 19302 742 1 . 1 1 132 132 LEU HA H 132 3.848 3.848 4.066 -0.218 19302 743 1 . 1 1 132 132 LEU C C 132 179.854 179.854 178.729 1.125 19302 744 1 . 1 1 132 132 LEU CA C 132 57.975 57.975 57.994 -0.019 19302 745 1 . 1 1 132 132 LEU CB C 132 41.902 41.902 41.936 -0.034 19302 746 1 . 1 1 132 132 LEU H H 132 8.270 8.270 7.587 0.683 19302 747 1 . 1 1 133 133 VAL N N 133 120.909 120.909 118.708 2.201 19302 748 1 . 1 1 133 133 VAL HA H 133 4.004 4.004 3.626 0.378 19302 749 1 . 1 1 133 133 VAL C C 133 178.791 178.791 178.340 0.451 19302 750 1 . 1 1 133 133 VAL CA C 133 58.026 58.026 66.139 -8.113 19302 751 1 . 1 1 133 133 VAL CB C 133 32.475 32.475 31.122 1.353 19302 752 1 . 1 1 133 133 VAL H H 133 8.162 8.162 7.454 0.708 19302 753 1 . 1 1 134 134 GLN N N 134 120.073 120.073 119.481 0.592 19302 754 1 . 1 1 134 134 GLN HA H 134 3.943 3.943 3.953 -0.010 19302 755 1 . 1 1 134 134 GLN C C 134 178.374 178.374 178.298 0.076 19302 756 1 . 1 1 134 134 GLN CA C 134 57.164 57.164 59.113 -1.949 19302 757 1 . 1 1 134 134 GLN CB C 134 29.632 29.632 28.546 1.086 19302 758 1 . 1 1 134 134 GLN H H 134 7.837 7.837 8.471 -0.634 19302 759 1 . 1 1 135 135 GLU N N 135 118.639 118.639 118.625 0.014 19302 760 1 . 1 1 135 135 GLU HA H 135 3.902 3.902 4.067 -0.165 19302 761 1 . 1 1 135 135 GLU C C 135 177.986 177.986 178.642 -0.656 19302 762 1 . 1 1 135 135 GLU CA C 135 58.266 58.266 58.794 -0.528 19302 763 1 . 1 1 135 135 GLU CB C 135 29.593 29.593 29.451 0.142 19302 764 1 . 1 1 135 135 GLU H H 135 7.989 7.989 7.913 0.076 19302 765 1 . 1 1 136 136 GLN N N 136 118.352 118.352 117.791 0.561 19302 766 1 . 1 1 136 136 GLN HA H 136 3.994 3.994 4.134 -0.140 19302 767 1 . 1 1 136 136 GLN C C 136 176.807 176.807 177.903 -1.096 19302 768 1 . 1 1 136 136 GLN CA C 136 56.762 56.762 58.203 -1.441 19302 769 1 . 1 1 136 136 GLN CB C 136 28.835 28.835 29.057 -0.222 19302 770 1 . 1 1 136 136 GLN H H 136 7.845 7.845 7.722 0.123 19302 771 1 . 1 1 137 137 THR N N 137 113.953 113.953 112.018 1.935 19302 772 1 . 1 1 137 137 THR HA H 137 4.163 4.163 4.167 -0.004 19302 773 1 . 1 1 137 137 THR C C 137 174.267 174.267 174.353 -0.086 19302 774 1 . 1 1 137 137 THR CA C 137 64.611 64.611 63.052 1.559 19302 775 1 . 1 1 137 137 THR CB C 137 69.280 69.280 68.581 0.699 19302 776 1 . 1 1 137 137 THR H H 137 7.847 7.847 7.938 -0.091 19302 777 1 . 1 1 138 138 LYS N N 138 122.289 122.289 121.311 0.978 19302 778 1 . 1 1 138 138 LYS C C 138 176.119 176.119 175.889 0.230 19302 779 1 . 1 1 138 138 LYS CA C 138 56.329 56.329 56.481 -0.152 19302 780 1 . 1 1 138 138 LYS CB C 138 32.891 32.891 32.980 -0.089 19302 781 1 . 1 1 138 138 LYS H H 138 7.607 7.607 7.786 -0.179 19302 stop_ save_