data_25850 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25850 _Entry.PDB_ID 2N8I 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 25850 _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 GLY C C 2 173.891 173.891 174.150 -0.259 25850 2 1 1 . 1 1 2 2 GLY CA C 2 44.831 44.831 44.761 0.070 25850 3 1 1 . 1 1 3 3 SER N N 3 117.545 117.545 116.033 1.512 25850 4 1 1 . 1 1 3 3 SER HA H 3 4.799 4.799 4.612 0.187 25850 5 1 1 . 1 1 3 3 SER C C 3 173.162 173.162 174.909 -1.747 25850 6 1 1 . 1 1 3 3 SER CA C 3 56.530 56.530 56.836 -0.306 25850 7 1 1 . 1 1 3 3 SER CB C 3 63.002 63.002 63.558 -0.556 25850 8 1 1 . 1 1 3 3 SER H H 3 8.428 8.428 7.884 0.544 25850 9 1 1 . 1 1 4 4 PRO HA H 4 4.644 4.644 4.460 0.184 25850 10 1 1 . 1 1 4 4 PRO C C 4 178.093 178.093 178.335 -0.242 25850 11 1 1 . 1 1 4 4 PRO CA C 4 65.378 65.378 65.400 -0.022 25850 12 1 1 . 1 1 4 4 PRO CB C 4 31.965 31.965 31.800 0.164 25850 13 1 1 . 1 1 5 5 ASP N N 5 115.270 115.270 116.266 -0.996 25850 14 1 1 . 1 1 5 5 ASP HA H 5 4.353 4.353 4.346 0.007 25850 15 1 1 . 1 1 5 5 ASP C C 5 178.915 178.915 178.533 0.382 25850 16 1 1 . 1 1 5 5 ASP CA C 5 56.796 56.796 58.397 -1.601 25850 17 1 1 . 1 1 5 5 ASP CB C 5 40.690 40.690 40.102 0.588 25850 18 1 1 . 1 1 5 5 ASP H H 5 8.233 8.233 8.675 -0.442 25850 19 1 1 . 1 1 6 6 GLU N N 6 121.390 121.390 118.536 2.854 25850 20 1 1 . 1 1 6 6 GLU HA H 6 4.027 4.027 4.113 -0.086 25850 21 1 1 . 1 1 6 6 GLU C C 6 178.836 178.836 178.985 -0.149 25850 22 1 1 . 1 1 6 6 GLU CA C 6 58.594 58.594 58.483 0.111 25850 23 1 1 . 1 1 6 6 GLU CB C 6 29.641 29.641 29.272 0.369 25850 24 1 1 . 1 1 6 6 GLU H H 6 7.770 7.770 7.623 0.147 25850 25 1 1 . 1 1 7 7 ASN N N 7 119.966 119.966 119.246 0.720 25850 26 1 1 . 1 1 7 7 ASN HA H 7 4.155 4.155 4.404 -0.249 25850 27 1 1 . 1 1 7 7 ASN C C 7 176.723 176.723 177.562 -0.839 25850 28 1 1 . 1 1 7 7 ASN CA C 7 55.007 55.007 55.343 -0.336 25850 29 1 1 . 1 1 7 7 ASN CB C 7 36.627 36.627 38.525 -1.898 25850 30 1 1 . 1 1 7 7 ASN H H 7 8.378 8.378 7.999 0.379 25850 31 1 1 . 1 1 8 8 ILE N N 8 119.915 119.915 121.014 -1.099 25850 32 1 1 . 1 1 8 8 ILE HA H 8 3.608 3.608 3.667 -0.059 25850 33 1 1 . 1 1 8 8 ILE CA C 8 66.495 66.495 65.744 0.751 25850 34 1 1 . 1 1 8 8 ILE CB C 8 37.558 37.558 37.910 -0.352 25850 35 1 1 . 1 1 8 8 ILE H H 8 8.626 8.626 8.290 0.336 25850 36 1 1 . 1 1 9 9 ALA N N 9 121.268 121.268 120.733 0.535 25850 37 1 1 . 1 1 9 9 ALA HA H 9 4.235 4.235 4.007 0.228 25850 38 1 1 . 1 1 9 9 ALA C C 9 180.624 180.624 179.140 1.484 25850 39 1 1 . 1 1 9 9 ALA CA C 9 54.922 54.922 55.151 -0.229 25850 40 1 1 . 1 1 9 9 ALA CB C 9 17.710 17.710 17.973 -0.263 25850 41 1 1 . 1 1 9 9 ALA H H 9 7.597 7.597 8.003 -0.406 25850 42 1 1 . 1 1 10 10 LYS N N 10 118.798 118.798 119.576 -0.778 25850 43 1 1 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.994 0.017 25850 44 1 1 . 1 1 10 10 LYS C C 10 180.034 180.034 178.984 1.050 25850 45 1 1 . 1 1 10 10 LYS CA C 10 59.264 59.264 59.126 0.138 25850 46 1 1 . 1 1 10 10 LYS CB C 10 31.744 31.744 32.243 -0.499 25850 47 1 1 . 1 1 10 10 LYS H H 10 7.569 7.569 7.420 0.149 25850 48 1 1 . 1 1 11 11 PHE N N 11 121.394 121.394 117.719 3.675 25850 49 1 1 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.343 0.385 25850 50 1 1 . 1 1 11 11 PHE C C 11 178.445 178.445 178.427 0.018 25850 51 1 1 . 1 1 11 11 PHE CA C 11 59.549 59.549 60.339 -0.790 25850 52 1 1 . 1 1 11 11 PHE CB C 11 39.001 39.001 38.327 0.674 25850 53 1 1 . 1 1 11 11 PHE H H 11 8.347 8.347 8.136 0.211 25850 54 1 1 . 1 1 12 12 GLU N N 12 121.864 121.864 120.626 1.238 25850 55 1 1 . 1 1 12 12 GLU HA H 12 4.127 4.127 4.181 -0.054 25850 56 1 1 . 1 1 12 12 GLU C C 12 179.600 179.600 179.072 0.528 25850 57 1 1 . 1 1 12 12 GLU CA C 12 59.803 59.803 59.503 0.300 25850 58 1 1 . 1 1 12 12 GLU CB C 12 29.488 29.488 29.155 0.333 25850 59 1 1 . 1 1 12 12 GLU H H 12 9.184 9.184 8.225 0.959 25850 60 1 1 . 1 1 13 13 LYS N N 13 120.472 120.472 119.246 1.226 25850 61 1 1 . 1 1 13 13 LYS HA H 13 4.127 4.127 4.093 0.034 25850 62 1 1 . 1 1 13 13 LYS C C 13 179.120 179.120 179.015 0.105 25850 63 1 1 . 1 1 13 13 LYS CA C 13 59.308 59.308 59.336 -0.028 25850 64 1 1 . 1 1 13 13 LYS CB C 13 32.147 32.147 32.264 -0.117 25850 65 1 1 . 1 1 13 13 LYS H H 13 7.800 7.800 7.803 -0.003 25850 66 1 1 . 1 1 14 14 ALA N N 14 122.753 122.753 121.841 0.912 25850 67 1 1 . 1 1 14 14 ALA HA H 14 4.205 4.205 4.186 0.019 25850 68 1 1 . 1 1 14 14 ALA C C 14 180.640 180.640 179.647 0.993 25850 69 1 1 . 1 1 14 14 ALA CA C 14 54.756 54.756 54.888 -0.132 25850 70 1 1 . 1 1 14 14 ALA CB C 14 17.913 17.913 18.299 -0.386 25850 71 1 1 . 1 1 14 14 ALA H H 14 8.001 8.001 7.801 0.200 25850 72 1 1 . 1 1 15 15 TYR HA H 15 3.850 3.850 4.158 -0.308 25850 73 1 1 . 1 1 15 15 TYR C C 15 175.898 175.898 177.767 -1.869 25850 74 1 1 . 1 1 15 15 TYR CA C 15 62.008 62.008 60.934 1.073 25850 75 1 1 . 1 1 15 15 TYR CB C 15 37.756 37.756 38.515 -0.759 25850 76 1 1 . 1 1 15 15 TYR H H 15 8.906 8.906 8.014 0.892 25850 77 1 1 . 1 1 16 16 LYS N N 16 119.082 119.082 118.155 0.927 25850 78 1 1 . 1 1 16 16 LYS HA H 16 3.985 3.985 3.804 0.181 25850 79 1 1 . 1 1 16 16 LYS C C 16 179.068 179.068 179.093 -0.025 25850 80 1 1 . 1 1 16 16 LYS CA C 16 58.622 58.622 58.601 0.021 25850 81 1 1 . 1 1 16 16 LYS CB C 16 32.131 32.131 31.807 0.324 25850 82 1 1 . 1 1 16 16 LYS H H 16 8.059 8.059 8.150 -0.091 25850 83 1 1 . 1 1 17 17 LYS N N 17 119.708 119.708 120.106 -0.398 25850 84 1 1 . 1 1 17 17 LYS HA H 17 4.142 4.142 4.328 -0.186 25850 85 1 1 . 1 1 17 17 LYS CA C 17 57.951 57.951 58.178 -0.227 25850 86 1 1 . 1 1 17 17 LYS CB C 17 31.802 31.802 31.947 -0.145 25850 87 1 1 . 1 1 17 17 LYS H H 17 7.900 7.900 7.680 0.220 25850 88 1 1 . 1 1 18 18 ALA N N 18 120.860 120.860 121.707 -0.847 25850 89 1 1 . 1 1 18 18 ALA HA H 18 4.329 4.329 4.044 0.285 25850 90 1 1 . 1 1 18 18 ALA C C 18 179.572 179.572 179.257 0.315 25850 91 1 1 . 1 1 18 18 ALA CA C 18 54.110 54.110 55.224 -1.114 25850 92 1 1 . 1 1 18 18 ALA CB C 18 18.782 18.782 18.203 0.579 25850 93 1 1 . 1 1 18 18 ALA H H 18 7.854 7.854 7.904 -0.050 25850 94 1 1 . 1 1 19 19 GLU N N 19 120.904 120.904 118.861 2.043 25850 95 1 1 . 1 1 19 19 GLU HA H 19 4.240 4.240 3.928 0.312 25850 96 1 1 . 1 1 19 19 GLU C C 19 180.268 180.268 179.079 1.189 25850 97 1 1 . 1 1 19 19 GLU CA C 19 59.147 59.147 58.565 0.582 25850 98 1 1 . 1 1 19 19 GLU CB C 19 29.889 29.889 29.506 0.383 25850 99 1 1 . 1 1 19 19 GLU H H 19 8.690 8.690 7.891 0.799 25850 100 1 1 . 1 1 20 20 GLU N N 20 120.868 120.868 119.166 1.702 25850 101 1 1 . 1 1 20 20 GLU HA H 20 4.024 4.024 4.066 -0.042 25850 102 1 1 . 1 1 20 20 GLU C C 20 177.975 177.975 178.357 -0.382 25850 103 1 1 . 1 1 20 20 GLU CA C 20 58.935 58.935 58.645 0.290 25850 104 1 1 . 1 1 20 20 GLU CB C 20 29.549 29.549 29.704 -0.155 25850 105 1 1 . 1 1 20 20 GLU H H 20 7.898 7.898 7.867 0.031 25850 106 1 1 . 1 1 21 21 LEU N N 21 116.701 116.701 116.354 0.347 25850 107 1 1 . 1 1 21 21 LEU HA H 21 4.351 4.351 4.338 0.013 25850 108 1 1 . 1 1 21 21 LEU C C 21 176.199 176.199 175.928 0.271 25850 109 1 1 . 1 1 21 21 LEU CA C 21 54.158 54.158 54.604 -0.446 25850 110 1 1 . 1 1 21 21 LEU CB C 21 41.776 41.776 42.106 -0.330 25850 111 1 1 . 1 1 21 21 LEU H H 21 7.393 7.393 7.401 -0.008 25850 112 1 1 . 1 1 22 22 ASN N N 22 118.557 118.557 113.765 4.792 25850 113 1 1 . 1 1 22 22 ASN HA H 22 4.278 4.278 4.389 -0.111 25850 114 1 1 . 1 1 22 22 ASN C C 22 174.436 174.436 174.803 -0.367 25850 115 1 1 . 1 1 22 22 ASN CA C 22 54.104 54.104 54.280 -0.176 25850 116 1 1 . 1 1 22 22 ASN CB C 22 37.364 37.364 36.405 0.959 25850 117 1 1 . 1 1 22 22 ASN H H 22 7.994 7.994 7.710 0.284 25850 118 1 1 . 1 1 23 23 GLN N N 23 118.344 118.344 118.935 -0.591 25850 119 1 1 . 1 1 23 23 GLN HA H 23 4.557 4.557 4.356 0.201 25850 120 1 1 . 1 1 23 23 GLN C C 23 176.685 176.685 176.490 0.195 25850 121 1 1 . 1 1 23 23 GLN CA C 23 53.983 53.983 55.259 -1.276 25850 122 1 1 . 1 1 23 23 GLN CB C 23 27.770 27.770 26.782 0.988 25850 123 1 1 . 1 1 23 23 GLN H H 23 8.378 8.378 8.049 0.329 25850 124 1 1 . 1 1 24 24 GLY N N 24 113.071 113.071 113.578 -0.507 25850 125 1 1 . 1 1 24 24 GLY C C 24 175.286 175.286 175.377 -0.091 25850 126 1 1 . 1 1 24 24 GLY CA C 24 47.823 47.823 47.294 0.529 25850 127 1 1 . 1 1 24 24 GLY H H 24 8.468 8.468 8.361 0.107 25850 128 1 1 . 1 1 25 25 GLU N N 25 120.717 120.717 121.797 -1.080 25850 129 1 1 . 1 1 25 25 GLU HA H 25 4.124 4.124 4.027 0.097 25850 130 1 1 . 1 1 25 25 GLU C C 25 176.495 176.495 178.860 -2.365 25850 131 1 1 . 1 1 25 25 GLU CA C 25 59.621 59.621 59.190 0.431 25850 132 1 1 . 1 1 25 25 GLU CB C 25 28.636 28.636 28.959 -0.323 25850 133 1 1 . 1 1 25 25 GLU H H 25 9.067 9.067 8.110 0.957 25850 134 1 1 . 1 1 26 26 LEU HA H 26 4.222 4.222 4.190 0.032 25850 135 1 1 . 1 1 26 26 LEU C C 26 180.590 180.590 179.054 1.536 25850 136 1 1 . 1 1 26 26 LEU CA C 26 56.882 56.882 57.521 -0.639 25850 137 1 1 . 1 1 26 26 LEU CB C 26 41.231 41.231 41.993 -0.762 25850 138 1 1 . 1 1 26 26 LEU H H 26 7.165 7.165 7.738 -0.573 25850 139 1 1 . 1 1 27 27 MET N N 27 121.053 121.053 118.644 2.409 25850 140 1 1 . 1 1 27 27 MET HA H 27 3.932 3.932 4.243 -0.311 25850 141 1 1 . 1 1 27 27 MET CA C 27 59.980 59.980 60.023 -0.043 25850 142 1 1 . 1 1 27 27 MET CB C 27 34.537 34.537 32.523 2.014 25850 143 1 1 . 1 1 27 27 MET H H 27 8.203 8.203 8.142 0.061 25850 144 1 1 . 1 1 28 28 GLY N N 28 106.038 106.038 106.055 -0.017 25850 145 1 1 . 1 1 28 28 GLY C C 28 174.900 174.900 175.500 -0.600 25850 146 1 1 . 1 1 28 28 GLY CA C 28 47.672 47.672 46.545 1.127 25850 147 1 1 . 1 1 28 28 GLY H H 28 8.527 8.527 8.448 0.079 25850 148 1 1 . 1 1 29 29 ARG N N 29 120.201 120.201 121.691 -1.490 25850 149 1 1 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.208 -0.013 25850 150 1 1 . 1 1 29 29 ARG C C 29 178.065 178.065 178.466 -0.401 25850 151 1 1 . 1 1 29 29 ARG CA C 29 59.974 59.974 59.342 0.632 25850 152 1 1 . 1 1 29 29 ARG CB C 29 30.416 30.416 30.162 0.254 25850 153 1 1 . 1 1 29 29 ARG H H 29 8.224 8.224 7.559 0.665 25850 154 1 1 . 1 1 30 30 ALA N N 30 121.394 121.394 122.961 -1.567 25850 155 1 1 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.046 0.151 25850 156 1 1 . 1 1 30 30 ALA C C 30 179.433 179.433 179.663 -0.230 25850 157 1 1 . 1 1 30 30 ALA CA C 30 55.838 55.838 55.078 0.761 25850 158 1 1 . 1 1 30 30 ALA CB C 30 18.269 18.269 18.326 -0.057 25850 159 1 1 . 1 1 30 30 ALA H H 30 7.876 7.876 7.907 -0.031 25850 160 1 1 . 1 1 31 31 LEU N N 31 116.122 116.122 118.403 -2.281 25850 161 1 1 . 1 1 31 31 LEU HA H 31 4.003 4.003 3.825 0.178 25850 162 1 1 . 1 1 31 31 LEU C C 31 178.416 178.416 178.847 -0.431 25850 163 1 1 . 1 1 31 31 LEU CA C 31 57.921 57.921 57.558 0.363 25850 164 1 1 . 1 1 31 31 LEU CB C 31 42.463 42.463 41.741 0.722 25850 165 1 1 . 1 1 31 31 LEU H H 31 8.084 8.084 7.798 0.286 25850 166 1 1 . 1 1 32 32 TYR N N 32 119.225 119.225 120.569 -1.344 25850 167 1 1 . 1 1 32 32 TYR HA H 32 4.063 4.063 4.260 -0.197 25850 168 1 1 . 1 1 32 32 TYR C C 32 176.310 176.310 177.623 -1.313 25850 169 1 1 . 1 1 32 32 TYR CA C 32 61.992 61.992 61.998 -0.006 25850 170 1 1 . 1 1 32 32 TYR CB C 32 38.659 38.659 38.607 0.052 25850 171 1 1 . 1 1 32 32 TYR H H 32 8.562 8.562 8.511 0.051 25850 172 1 1 . 1 1 33 33 ASN N N 33 116.880 116.880 117.355 -0.475 25850 173 1 1 . 1 1 33 33 ASN HA H 33 4.068 4.068 4.177 -0.109 25850 174 1 1 . 1 1 33 33 ASN C C 33 178.353 178.353 177.632 0.721 25850 175 1 1 . 1 1 33 33 ASN CA C 33 55.858 55.858 55.970 -0.112 25850 176 1 1 . 1 1 33 33 ASN CB C 33 35.968 35.968 37.331 -1.363 25850 177 1 1 . 1 1 33 33 ASN H H 33 8.213 8.213 7.839 0.374 25850 178 1 1 . 1 1 34 34 ILE N N 34 121.401 121.401 120.246 1.155 25850 179 1 1 . 1 1 34 34 ILE HA H 34 3.300 3.300 3.579 -0.279 25850 180 1 1 . 1 1 34 34 ILE C C 34 177.867 177.867 177.715 0.152 25850 181 1 1 . 1 1 34 34 ILE CA C 34 66.528 66.528 65.374 1.154 25850 182 1 1 . 1 1 34 34 ILE CB C 34 37.839 37.839 37.131 0.708 25850 183 1 1 . 1 1 34 34 ILE H H 34 8.087 8.087 7.733 0.354 25850 184 1 1 . 1 1 35 35 GLY N N 35 107.275 107.275 107.809 -0.534 25850 185 1 1 . 1 1 35 35 GLY C C 35 175.048 175.048 175.673 -0.625 25850 186 1 1 . 1 1 35 35 GLY CA C 35 48.547 48.547 46.709 1.839 25850 187 1 1 . 1 1 35 35 GLY H H 35 7.922 7.922 7.921 0.001 25850 188 1 1 . 1 1 36 36 LEU N N 36 120.414 120.414 122.096 -1.682 25850 189 1 1 . 1 1 36 36 LEU HA H 36 4.048 4.048 3.930 0.118 25850 190 1 1 . 1 1 36 36 LEU C C 36 180.804 180.804 179.176 1.628 25850 191 1 1 . 1 1 36 36 LEU CA C 36 58.063 58.063 57.818 0.245 25850 192 1 1 . 1 1 36 36 LEU CB C 36 41.701 41.701 41.494 0.207 25850 193 1 1 . 1 1 36 36 LEU H H 36 8.177 8.177 7.793 0.384 25850 194 1 1 . 1 1 37 37 GLU N N 37 120.083 120.083 118.834 1.249 25850 195 1 1 . 1 1 37 37 GLU HA H 37 4.075 4.075 3.983 0.092 25850 196 1 1 . 1 1 37 37 GLU C C 37 179.517 179.517 179.381 0.136 25850 197 1 1 . 1 1 37 37 GLU CA C 37 58.603 58.603 59.148 -0.544 25850 198 1 1 . 1 1 37 37 GLU CB C 37 29.799 29.799 28.921 0.878 25850 199 1 1 . 1 1 37 37 GLU H H 37 7.750 7.750 7.864 -0.114 25850 200 1 1 . 1 1 38 38 LYS N N 38 118.263 118.263 117.870 0.393 25850 201 1 1 . 1 1 38 38 LYS HA H 38 3.862 3.862 3.980 -0.118 25850 202 1 1 . 1 1 38 38 LYS C C 38 179.253 179.253 178.975 0.278 25850 203 1 1 . 1 1 38 38 LYS CA C 38 57.937 57.937 58.570 -0.633 25850 204 1 1 . 1 1 38 38 LYS CB C 38 30.769 30.769 31.893 -1.124 25850 205 1 1 . 1 1 38 38 LYS H H 38 8.550 8.550 7.900 0.650 25850 206 1 1 . 1 1 39 39 ASN N N 39 118.329 118.329 117.235 1.094 25850 207 1 1 . 1 1 39 39 ASN HA H 39 4.193 4.193 4.494 -0.301 25850 208 1 1 . 1 1 39 39 ASN C C 39 179.428 179.428 177.576 1.852 25850 209 1 1 . 1 1 39 39 ASN CA C 39 56.177 56.177 55.583 0.594 25850 210 1 1 . 1 1 39 39 ASN CB C 39 38.478 38.478 38.490 -0.012 25850 211 1 1 . 1 1 39 39 ASN H H 39 8.294 8.294 8.019 0.275 25850 212 1 1 . 1 1 40 40 LYS N N 40 121.176 121.176 118.879 2.297 25850 213 1 1 . 1 1 40 40 LYS HA H 40 4.047 4.047 4.082 -0.035 25850 214 1 1 . 1 1 40 40 LYS C C 40 178.229 178.229 178.317 -0.088 25850 215 1 1 . 1 1 40 40 LYS CA C 40 59.471 59.471 58.613 0.858 25850 216 1 1 . 1 1 40 40 LYS CB C 40 32.427 32.427 32.354 0.073 25850 217 1 1 . 1 1 40 40 LYS H H 40 7.912 7.912 7.725 0.187 25850 218 1 1 . 1 1 41 41 MET N N 41 114.548 114.548 115.386 -0.838 25850 219 1 1 . 1 1 41 41 MET HA H 41 4.512 4.512 4.431 0.081 25850 220 1 1 . 1 1 41 41 MET C C 41 175.915 175.915 176.974 -1.059 25850 221 1 1 . 1 1 41 41 MET CA C 41 55.529 55.529 56.869 -1.340 25850 222 1 1 . 1 1 41 41 MET CB C 41 34.022 34.022 33.149 0.873 25850 223 1 1 . 1 1 41 41 MET H H 41 7.389 7.389 7.567 -0.178 25850 224 1 1 . 1 1 42 42 GLY N N 42 107.409 107.409 106.387 1.022 25850 225 1 1 . 1 1 42 42 GLY C C 42 175.041 175.041 174.870 0.171 25850 226 1 1 . 1 1 42 42 GLY CA C 42 45.335 45.335 45.064 0.271 25850 227 1 1 . 1 1 42 42 GLY H H 42 7.929 7.929 7.463 0.466 25850 228 1 1 . 1 1 43 43 LYS N N 43 124.326 124.326 122.616 1.710 25850 229 1 1 . 1 1 43 43 LYS HA H 43 4.684 4.684 4.448 0.236 25850 230 1 1 . 1 1 43 43 LYS C C 43 176.514 176.514 176.018 0.496 25850 231 1 1 . 1 1 43 43 LYS CA C 43 53.791 53.791 55.292 -1.501 25850 232 1 1 . 1 1 43 43 LYS CB C 43 30.065 30.065 30.735 -0.670 25850 233 1 1 . 1 1 43 43 LYS H H 43 8.040 8.040 7.933 0.107 25850 234 1 1 . 1 1 44 44 VAL N N 44 121.020 121.020 121.027 -0.007 25850 235 1 1 . 1 1 44 44 VAL HA H 44 3.580 3.580 3.709 -0.129 25850 236 1 1 . 1 1 44 44 VAL C C 44 177.096 177.096 177.521 -0.425 25850 237 1 1 . 1 1 44 44 VAL CA C 44 66.166 66.166 65.777 0.389 25850 238 1 1 . 1 1 44 44 VAL CB C 44 31.869 31.869 31.598 0.271 25850 239 1 1 . 1 1 44 44 VAL H H 44 7.439 7.439 7.763 -0.324 25850 240 1 1 . 1 1 45 45 LYS N N 45 119.164 119.164 119.443 -0.279 25850 241 1 1 . 1 1 45 45 LYS HA H 45 3.950 3.950 3.851 0.099 25850 242 1 1 . 1 1 45 45 LYS C C 45 179.726 179.726 178.562 1.164 25850 243 1 1 . 1 1 45 45 LYS CA C 45 60.153 60.153 60.303 -0.150 25850 244 1 1 . 1 1 45 45 LYS CB C 45 31.446 31.446 32.144 -0.698 25850 245 1 1 . 1 1 45 45 LYS H H 45 8.427 8.427 8.640 -0.213 25850 246 1 1 . 1 1 46 46 GLU N N 46 118.446 118.446 119.594 -1.148 25850 247 1 1 . 1 1 46 46 GLU HA H 46 4.092 4.092 4.046 0.046 25850 248 1 1 . 1 1 46 46 GLU C C 46 178.490 178.490 178.412 0.078 25850 249 1 1 . 1 1 46 46 GLU CA C 46 59.327 59.327 58.764 0.563 25850 250 1 1 . 1 1 46 46 GLU CB C 46 29.764 29.764 29.142 0.622 25850 251 1 1 . 1 1 46 46 GLU H H 46 7.867 7.867 8.175 -0.308 25850 252 1 1 . 1 1 47 47 ALA N N 47 122.279 122.279 123.193 -0.914 25850 253 1 1 . 1 1 47 47 ALA HA H 47 3.513 3.513 3.667 -0.154 25850 254 1 1 . 1 1 47 47 ALA C C 47 178.065 178.065 178.906 -0.841 25850 255 1 1 . 1 1 47 47 ALA CA C 47 55.905 55.905 55.042 0.863 25850 256 1 1 . 1 1 47 47 ALA CB C 47 18.256 18.256 18.200 0.056 25850 257 1 1 . 1 1 47 47 ALA H H 47 8.315 8.315 7.799 0.516 25850 258 1 1 . 1 1 48 48 ILE N N 48 115.863 115.863 118.296 -2.433 25850 259 1 1 . 1 1 48 48 ILE HA H 48 3.401 3.401 3.531 -0.130 25850 260 1 1 . 1 1 48 48 ILE C C 48 176.808 176.808 177.932 -1.124 25850 261 1 1 . 1 1 48 48 ILE CA C 48 66.282 66.282 65.565 0.717 25850 262 1 1 . 1 1 48 48 ILE CB C 48 38.375 38.375 37.504 0.871 25850 263 1 1 . 1 1 48 48 ILE H H 48 8.077 8.077 7.786 0.291 25850 264 1 1 . 1 1 49 49 GLU N N 49 116.853 116.853 119.021 -2.168 25850 265 1 1 . 1 1 49 49 GLU HA H 49 3.920 3.920 3.885 0.035 25850 266 1 1 . 1 1 49 49 GLU C C 49 179.914 179.914 179.747 0.167 25850 267 1 1 . 1 1 49 49 GLU CA C 49 59.535 59.535 59.467 0.068 25850 268 1 1 . 1 1 49 49 GLU CB C 49 28.995 28.995 28.889 0.106 25850 269 1 1 . 1 1 49 49 GLU H H 49 7.175 7.175 7.554 -0.379 25850 270 1 1 . 1 1 50 50 TYR N N 50 117.578 117.578 119.503 -1.925 25850 271 1 1 . 1 1 50 50 TYR HA H 50 3.774 3.774 4.175 -0.401 25850 272 1 1 . 1 1 50 50 TYR C C 50 178.462 178.462 178.158 0.304 25850 273 1 1 . 1 1 50 50 TYR CA C 50 64.368 64.368 61.274 3.094 25850 274 1 1 . 1 1 50 50 TYR CB C 50 37.345 37.345 38.111 -0.766 25850 275 1 1 . 1 1 50 50 TYR H H 50 7.676 7.676 7.635 0.041 25850 276 1 1 . 1 1 51 51 PHE N N 51 119.480 119.480 118.339 1.141 25850 277 1 1 . 1 1 51 51 PHE HA H 51 4.711 4.711 4.430 0.281 25850 278 1 1 . 1 1 51 51 PHE C C 51 178.720 178.720 178.018 0.702 25850 279 1 1 . 1 1 51 51 PHE CA C 51 58.958 58.958 60.025 -1.067 25850 280 1 1 . 1 1 51 51 PHE CB C 51 37.771 37.771 38.027 -0.256 25850 281 1 1 . 1 1 51 51 PHE H H 51 9.013 9.013 8.174 0.839 25850 282 1 1 . 1 1 52 52 LEU N N 52 120.365 120.365 120.893 -0.528 25850 283 1 1 . 1 1 52 52 LEU HA H 52 4.093 4.093 3.911 0.182 25850 284 1 1 . 1 1 52 52 LEU C C 52 180.229 180.229 178.898 1.331 25850 285 1 1 . 1 1 52 52 LEU CA C 52 58.252 58.252 58.472 -0.221 25850 286 1 1 . 1 1 52 52 LEU CB C 52 42.160 42.160 41.457 0.703 25850 287 1 1 . 1 1 52 52 LEU H H 52 8.906 8.906 8.668 0.238 25850 288 1 1 . 1 1 53 53 ARG N N 53 119.294 119.294 118.870 0.424 25850 289 1 1 . 1 1 53 53 ARG HA H 53 3.929 3.929 3.929 -0.000 25850 290 1 1 . 1 1 53 53 ARG C C 53 179.087 179.087 178.487 0.600 25850 291 1 1 . 1 1 53 53 ARG CA C 53 59.580 59.580 59.634 -0.054 25850 292 1 1 . 1 1 53 53 ARG CB C 53 31.418 31.418 29.892 1.526 25850 293 1 1 . 1 1 53 53 ARG H H 53 7.846 7.846 7.774 0.072 25850 294 1 1 . 1 1 54 54 ALA N N 54 121.351 121.351 121.669 -0.318 25850 295 1 1 . 1 1 54 54 ALA HA H 54 3.693 3.693 3.745 -0.052 25850 296 1 1 . 1 1 54 54 ALA C C 54 177.631 177.631 178.906 -1.275 25850 297 1 1 . 1 1 54 54 ALA CA C 54 55.115 55.115 55.359 -0.244 25850 298 1 1 . 1 1 54 54 ALA CB C 54 17.612 17.612 18.325 -0.713 25850 299 1 1 . 1 1 54 54 ALA H H 54 8.892 8.892 8.219 0.673 25850 300 1 1 . 1 1 55 55 LYS N N 55 117.135 117.135 118.772 -1.637 25850 301 1 1 . 1 1 55 55 LYS HA H 55 3.835 3.835 4.266 -0.431 25850 302 1 1 . 1 1 55 55 LYS C C 55 176.970 176.970 178.622 -1.652 25850 303 1 1 . 1 1 55 55 LYS CA C 55 60.725 60.725 59.659 1.066 25850 304 1 1 . 1 1 55 55 LYS CB C 55 32.602 32.602 32.417 0.185 25850 305 1 1 . 1 1 55 55 LYS H H 55 8.626 8.626 8.003 0.623 25850 306 1 1 . 1 1 56 56 LYS N N 56 116.695 116.695 119.528 -2.833 25850 307 1 1 . 1 1 56 56 LYS HA H 56 4.171 4.171 4.234 -0.063 25850 308 1 1 . 1 1 56 56 LYS C C 56 180.037 180.037 179.215 0.822 25850 309 1 1 . 1 1 56 56 LYS CA C 56 59.606 59.606 59.290 0.316 25850 310 1 1 . 1 1 56 56 LYS CB C 56 32.349 32.349 32.243 0.106 25850 311 1 1 . 1 1 56 56 LYS H H 56 7.652 7.652 7.809 -0.158 25850 312 1 1 . 1 1 57 57 VAL N N 57 120.809 120.809 119.076 1.733 25850 313 1 1 . 1 1 57 57 VAL HA H 57 3.753 3.753 3.680 0.073 25850 314 1 1 . 1 1 57 57 VAL C C 57 178.174 178.174 177.838 0.336 25850 315 1 1 . 1 1 57 57 VAL CA C 57 66.226 66.226 66.330 -0.104 25850 316 1 1 . 1 1 57 57 VAL CB C 57 31.424 31.424 31.367 0.056 25850 317 1 1 . 1 1 57 57 VAL H H 57 7.583 7.583 7.762 -0.179 25850 318 1 1 . 1 1 58 58 PHE N N 58 118.864 118.864 119.557 -0.693 25850 319 1 1 . 1 1 58 58 PHE HA H 58 4.521 4.521 4.173 0.348 25850 320 1 1 . 1 1 58 58 PHE C C 58 179.187 179.187 177.606 1.581 25850 321 1 1 . 1 1 58 58 PHE CA C 58 59.849 59.849 61.123 -1.274 25850 322 1 1 . 1 1 58 58 PHE CB C 58 37.753 37.753 37.891 -0.138 25850 323 1 1 . 1 1 58 58 PHE H H 58 8.871 8.871 8.010 0.861 25850 324 1 1 . 1 1 59 59 ASP N N 59 119.714 119.714 119.446 0.268 25850 325 1 1 . 1 1 59 59 ASP HA H 59 4.444 4.444 4.467 -0.023 25850 326 1 1 . 1 1 59 59 ASP C C 59 180.066 180.066 178.599 1.467 25850 327 1 1 . 1 1 59 59 ASP CA C 59 57.201 57.201 57.290 -0.089 25850 328 1 1 . 1 1 59 59 ASP CB C 59 39.713 39.713 40.345 -0.632 25850 329 1 1 . 1 1 59 59 ASP H H 59 9.157 9.157 8.468 0.689 25850 330 1 1 . 1 1 60 60 ALA N N 60 124.290 124.290 122.089 2.201 25850 331 1 1 . 1 1 60 60 ALA HA H 60 4.087 4.087 4.000 0.087 25850 332 1 1 . 1 1 60 60 ALA C C 60 179.389 179.389 178.872 0.517 25850 333 1 1 . 1 1 60 60 ALA CA C 60 54.760 54.760 54.243 0.517 25850 334 1 1 . 1 1 60 60 ALA CB C 60 18.025 18.025 18.675 -0.651 25850 335 1 1 . 1 1 60 60 ALA H H 60 7.742 7.742 7.619 0.123 25850 336 1 1 . 1 1 61 61 GLU N N 61 114.493 114.493 115.788 -1.295 25850 337 1 1 . 1 1 61 61 GLU HA H 61 4.259 4.259 4.141 0.118 25850 338 1 1 . 1 1 61 61 GLU C C 61 175.970 175.970 176.247 -0.277 25850 339 1 1 . 1 1 61 61 GLU CA C 61 55.049 55.049 56.384 -1.335 25850 340 1 1 . 1 1 61 61 GLU CB C 61 29.724 29.724 30.008 -0.284 25850 341 1 1 . 1 1 61 61 GLU H H 61 7.908 7.908 7.727 0.181 25850 342 1 1 . 1 1 62 62 HIS N N 62 115.130 115.130 113.219 1.911 25850 343 1 1 . 1 1 62 62 HIS HA H 62 4.264 4.264 4.277 -0.013 25850 344 1 1 . 1 1 62 62 HIS C C 62 173.916 173.916 174.116 -0.200 25850 345 1 1 . 1 1 62 62 HIS CA C 62 56.531 56.531 56.925 -0.394 25850 346 1 1 . 1 1 62 62 HIS CB C 62 26.039 26.039 26.997 -0.958 25850 347 1 1 . 1 1 62 62 HIS H H 62 7.830 7.830 7.414 0.416 25850 348 1 1 . 1 1 63 63 ASP N N 63 118.507 118.507 119.947 -1.440 25850 349 1 1 . 1 1 63 63 ASP HA H 63 4.854 4.854 4.756 0.098 25850 350 1 1 . 1 1 63 63 ASP C C 63 176.143 176.143 176.427 -0.284 25850 351 1 1 . 1 1 63 63 ASP CA C 63 52.127 52.127 53.161 -1.034 25850 352 1 1 . 1 1 63 63 ASP CB C 63 40.068 40.068 40.772 -0.704 25850 353 1 1 . 1 1 63 63 ASP H H 63 8.521 8.521 8.235 0.286 25850 354 1 1 . 1 1 64 64 THR N N 64 119.037 119.037 120.088 -1.051 25850 355 1 1 . 1 1 64 64 THR HA H 64 3.869 3.869 3.984 -0.115 25850 356 1 1 . 1 1 64 64 THR C C 64 176.814 176.814 175.425 1.389 25850 357 1 1 . 1 1 64 64 THR CA C 64 65.198 65.198 65.325 -0.127 25850 358 1 1 . 1 1 64 64 THR CB C 64 68.315 68.315 68.952 -0.637 25850 359 1 1 . 1 1 64 64 THR H H 64 7.907 7.907 7.799 0.108 25850 360 1 1 . 1 1 65 65 ASP N N 65 122.892 122.892 120.772 2.120 25850 361 1 1 . 1 1 65 65 ASP HA H 65 4.287 4.287 4.242 0.045 25850 362 1 1 . 1 1 65 65 ASP C C 65 178.326 178.326 178.408 -0.082 25850 363 1 1 . 1 1 65 65 ASP CA C 65 57.350 57.350 58.218 -0.868 25850 364 1 1 . 1 1 65 65 ASP CB C 65 41.121 41.121 40.042 1.079 25850 365 1 1 . 1 1 65 65 ASP H H 65 8.375 8.375 8.311 0.064 25850 366 1 1 . 1 1 66 66 GLY N N 66 109.334 109.334 106.765 2.569 25850 367 1 1 . 1 1 66 66 GLY C C 66 175.861 175.861 175.165 0.696 25850 368 1 1 . 1 1 66 66 GLY CA C 66 46.136 46.136 45.907 0.229 25850 369 1 1 . 1 1 66 66 GLY H H 66 8.234 8.234 7.953 0.281 25850 370 1 1 . 1 1 67 67 ALA N N 67 122.888 122.888 125.023 -2.135 25850 371 1 1 . 1 1 67 67 ALA HA H 67 3.892 3.892 4.056 -0.164 25850 372 1 1 . 1 1 67 67 ALA C C 67 179.384 179.384 179.605 -0.221 25850 373 1 1 . 1 1 67 67 ALA CA C 67 55.960 55.960 54.811 1.149 25850 374 1 1 . 1 1 67 67 ALA CB C 67 18.611 18.611 18.523 0.088 25850 375 1 1 . 1 1 67 67 ALA H H 67 7.949 7.949 7.685 0.264 25850 376 1 1 . 1 1 68 68 ARG N N 68 118.221 118.221 117.773 0.448 25850 377 1 1 . 1 1 68 68 ARG HA H 68 3.993 3.993 3.994 -0.001 25850 378 1 1 . 1 1 68 68 ARG C C 68 179.355 179.355 178.672 0.683 25850 379 1 1 . 1 1 68 68 ARG CA C 68 59.234 59.234 59.285 -0.051 25850 380 1 1 . 1 1 68 68 ARG CB C 68 29.799 29.799 30.080 -0.281 25850 381 1 1 . 1 1 68 68 ARG H H 68 7.917 7.917 8.179 -0.262 25850 382 1 1 . 1 1 69 69 ARG N N 69 120.551 120.551 119.969 0.582 25850 383 1 1 . 1 1 69 69 ARG HA H 69 3.923 3.923 3.968 -0.045 25850 384 1 1 . 1 1 69 69 ARG C C 69 179.120 179.120 178.017 1.103 25850 385 1 1 . 1 1 69 69 ARG CA C 69 59.310 59.310 59.196 0.114 25850 386 1 1 . 1 1 69 69 ARG CB C 69 29.189 29.189 29.865 -0.676 25850 387 1 1 . 1 1 69 69 ARG H H 69 7.749 7.749 7.739 0.010 25850 388 1 1 . 1 1 70 70 ALA N N 70 121.098 121.098 120.872 0.226 25850 389 1 1 . 1 1 70 70 ALA HA H 70 4.016 4.016 4.357 -0.341 25850 390 1 1 . 1 1 70 70 ALA C C 70 178.438 178.438 179.405 -0.967 25850 391 1 1 . 1 1 70 70 ALA CA C 70 55.536 55.536 54.817 0.719 25850 392 1 1 . 1 1 70 70 ALA CB C 70 17.216 17.216 18.361 -1.145 25850 393 1 1 . 1 1 70 70 ALA H H 70 8.245 8.245 8.153 0.092 25850 394 1 1 . 1 1 71 71 ALA N N 71 119.333 119.333 120.772 -1.439 25850 395 1 1 . 1 1 71 71 ALA HA H 71 4.047 4.047 4.120 -0.073 25850 396 1 1 . 1 1 71 71 ALA C C 71 180.219 180.219 179.028 1.191 25850 397 1 1 . 1 1 71 71 ALA CA C 71 55.083 55.083 54.903 0.180 25850 398 1 1 . 1 1 71 71 ALA CB C 71 18.198 18.198 18.233 -0.035 25850 399 1 1 . 1 1 71 71 ALA H H 71 8.565 8.565 7.845 0.720 25850 400 1 1 . 1 1 72 72 LYS N N 72 121.188 121.188 119.581 1.607 25850 401 1 1 . 1 1 72 72 LYS HA H 72 4.107 4.107 4.113 -0.006 25850 402 1 1 . 1 1 72 72 LYS C C 72 179.155 179.155 178.729 0.426 25850 403 1 1 . 1 1 72 72 LYS CA C 72 59.271 59.271 58.955 0.316 25850 404 1 1 . 1 1 72 72 LYS CB C 72 31.786 31.786 32.206 -0.420 25850 405 1 1 . 1 1 72 72 LYS H H 72 8.108 8.108 8.083 0.025 25850 406 1 1 . 1 1 73 73 SER N N 73 116.976 116.976 116.086 0.890 25850 407 1 1 . 1 1 73 73 SER HA H 73 3.957 3.957 4.043 -0.086 25850 408 1 1 . 1 1 73 73 SER C C 73 176.394 176.394 176.729 -0.335 25850 409 1 1 . 1 1 73 73 SER CA C 73 62.753 62.753 61.473 1.280 25850 410 1 1 . 1 1 73 73 SER CB C 73 60.718 60.718 62.278 -1.560 25850 411 1 1 . 1 1 73 73 SER H H 73 8.057 8.057 7.785 0.272 25850 412 1 1 . 1 1 74 74 LEU N N 74 123.741 123.741 122.549 1.192 25850 413 1 1 . 1 1 74 74 LEU HA H 74 3.831 3.831 3.911 -0.080 25850 414 1 1 . 1 1 74 74 LEU C C 74 176.704 176.704 178.392 -1.688 25850 415 1 1 . 1 1 74 74 LEU CA C 74 58.545 58.545 58.125 0.420 25850 416 1 1 . 1 1 74 74 LEU CB C 74 41.862 41.862 41.767 0.095 25850 417 1 1 . 1 1 74 74 LEU H H 74 8.341 8.341 7.903 0.438 25850 418 1 1 . 1 1 75 75 SER N N 75 113.508 113.508 115.347 -1.839 25850 419 1 1 . 1 1 75 75 SER HA H 75 4.277 4.277 4.303 -0.026 25850 420 1 1 . 1 1 75 75 SER C C 75 177.668 177.668 177.021 0.647 25850 421 1 1 . 1 1 75 75 SER CA C 75 61.926 61.926 61.903 0.023 25850 422 1 1 . 1 1 75 75 SER CB C 75 62.702 62.702 62.464 0.238 25850 423 1 1 . 1 1 75 75 SER H H 75 8.055 8.055 7.957 0.098 25850 424 1 1 . 1 1 76 76 GLU N N 76 119.999 119.999 120.486 -0.487 25850 425 1 1 . 1 1 76 76 GLU HA H 76 4.041 4.041 4.143 -0.102 25850 426 1 1 . 1 1 76 76 GLU C C 76 178.836 178.836 178.799 0.037 25850 427 1 1 . 1 1 76 76 GLU CA C 76 58.928 58.928 58.683 0.245 25850 428 1 1 . 1 1 76 76 GLU CB C 76 29.684 29.684 29.082 0.602 25850 429 1 1 . 1 1 76 76 GLU H H 76 7.874 7.874 7.992 -0.118 25850 430 1 1 . 1 1 77 77 ALA N N 77 123.551 123.551 123.366 0.185 25850 431 1 1 . 1 1 77 77 ALA HA H 77 4.242 4.242 4.134 0.108 25850 432 1 1 . 1 1 77 77 ALA C C 77 180.005 180.005 179.768 0.237 25850 433 1 1 . 1 1 77 77 ALA CA C 77 55.031 55.031 54.812 0.219 25850 434 1 1 . 1 1 77 77 ALA CB C 77 18.237 18.237 18.473 -0.236 25850 435 1 1 . 1 1 77 77 ALA H H 77 8.043 8.043 7.707 0.336 25850 436 1 1 . 1 1 78 78 TYR N N 78 116.371 116.371 117.603 -1.232 25850 437 1 1 . 1 1 78 78 TYR HA H 78 4.418 4.418 4.177 0.241 25850 438 1 1 . 1 1 78 78 TYR C C 78 178.901 178.901 178.691 0.210 25850 439 1 1 . 1 1 78 78 TYR CA C 78 60.302 60.302 61.447 -1.145 25850 440 1 1 . 1 1 78 78 TYR CB C 78 37.416 37.416 37.699 -0.283 25850 441 1 1 . 1 1 78 78 TYR H H 78 8.699 8.699 8.305 0.394 25850 442 1 1 . 1 1 79 79 GLN N N 79 116.649 116.649 118.620 -1.971 25850 443 1 1 . 1 1 79 79 GLN HA H 79 4.212 4.212 4.083 0.129 25850 444 1 1 . 1 1 79 79 GLN C C 79 177.778 177.778 178.309 -0.531 25850 445 1 1 . 1 1 79 79 GLN CA C 79 57.922 57.922 58.990 -1.068 25850 446 1 1 . 1 1 79 79 GLN CB C 79 28.659 28.659 28.603 0.056 25850 447 1 1 . 1 1 79 79 GLN H H 79 7.667 7.667 7.843 -0.176 25850 448 1 1 . 1 1 80 80 LYS N N 80 118.855 118.855 117.825 1.030 25850 449 1 1 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.143 0.150 25850 450 1 1 . 1 1 80 80 LYS C C 80 178.038 178.038 178.211 -0.173 25850 451 1 1 . 1 1 80 80 LYS CA C 80 57.474 57.474 58.477 -1.002 25850 452 1 1 . 1 1 80 80 LYS CB C 80 32.816 32.816 32.423 0.393 25850 453 1 1 . 1 1 80 80 LYS H H 80 7.766 7.766 7.505 0.261 25850 454 1 1 . 1 1 81 81 VAL N N 81 117.863 117.863 117.679 0.184 25850 455 1 1 . 1 1 81 81 VAL HA H 81 4.076 4.076 3.878 0.198 25850 456 1 1 . 1 1 81 81 VAL C C 81 176.805 176.805 177.023 -0.218 25850 457 1 1 . 1 1 81 81 VAL CA C 81 63.409 63.409 64.919 -1.510 25850 458 1 1 . 1 1 81 81 VAL CB C 81 32.423 32.423 32.221 0.202 25850 459 1 1 . 1 1 81 81 VAL H H 81 7.821 7.821 7.869 -0.048 25850 460 1 1 . 1 1 82 82 GLU N N 82 122.552 122.552 118.745 3.807 25850 461 1 1 . 1 1 82 82 GLU HA H 82 4.277 4.277 4.546 -0.269 25850 462 1 1 . 1 1 82 82 GLU C C 82 177.559 177.559 177.432 0.127 25850 463 1 1 . 1 1 82 82 GLU CA C 82 57.300 57.300 55.760 1.540 25850 464 1 1 . 1 1 82 82 GLU CB C 82 29.927 29.927 30.618 -0.691 25850 465 1 1 . 1 1 82 82 GLU H H 82 8.329 8.329 7.858 0.471 25850 466 1 1 . 1 1 83 83 GLY N N 83 109.040 109.040 108.961 0.079 25850 467 1 1 . 1 1 83 83 GLY C C 83 174.590 174.590 173.903 0.687 25850 468 1 1 . 1 1 83 83 GLY CA C 83 45.530 45.530 44.996 0.534 25850 469 1 1 . 1 1 83 83 GLY H H 83 8.309 8.309 8.546 -0.237 25850 470 1 1 . 1 1 84 84 SER N N 84 115.258 115.258 120.173 -4.915 25850 471 1 1 . 1 1 84 84 SER HA H 84 4.495 4.495 4.538 -0.043 25850 472 1 1 . 1 1 84 84 SER C C 84 175.217 175.217 174.417 0.800 25850 473 1 1 . 1 1 84 84 SER CA C 84 58.580 58.580 57.476 1.104 25850 474 1 1 . 1 1 84 84 SER CB C 84 63.827 63.827 63.472 0.355 25850 475 1 1 . 1 1 84 84 SER H H 84 8.180 8.180 7.741 0.439 25850 476 1 1 . 1 1 85 85 GLY N N 85 110.681 110.681 111.370 -0.689 25850 477 1 1 . 1 1 85 85 GLY C C 85 174.063 174.063 174.609 -0.546 25850 478 1 1 . 1 1 85 85 GLY CA C 85 45.395 45.395 44.773 0.622 25850 479 1 1 . 1 1 85 85 GLY H H 85 8.472 8.472 8.303 0.169 25850 480 1 1 . 1 1 86 86 ASP N N 86 120.537 120.537 124.436 -3.899 25850 481 1 1 . 1 1 86 86 ASP HA H 86 4.597 4.597 4.648 -0.051 25850 482 1 1 . 1 1 86 86 ASP C C 86 176.761 176.761 175.879 0.882 25850 483 1 1 . 1 1 86 86 ASP CA C 86 54.451 54.451 54.370 0.081 25850 484 1 1 . 1 1 86 86 ASP CB C 86 41.069 41.069 39.554 1.515 25850 485 1 1 . 1 1 86 86 ASP H H 86 8.272 8.272 8.513 -0.241 25850 486 1 1 . 1 1 87 87 LYS N N 87 121.608 121.608 120.421 1.187 25850 487 1 1 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.534 -0.288 25850 488 1 1 . 1 1 87 87 LYS C C 87 177.342 177.342 177.616 -0.274 25850 489 1 1 . 1 1 87 87 LYS CA C 87 56.545 56.545 55.117 1.428 25850 490 1 1 . 1 1 87 87 LYS CB C 87 32.302 32.302 34.222 -1.920 25850 491 1 1 . 1 1 87 87 LYS H H 87 8.344 8.344 7.878 0.466 25850 492 1 1 . 1 1 88 88 GLY N N 88 108.711 108.711 109.486 -0.775 25850 493 1 1 . 1 1 88 88 GLY C C 88 174.216 174.216 174.003 0.213 25850 494 1 1 . 1 1 88 88 GLY CA C 88 45.339 45.339 45.762 -0.423 25850 495 1 1 . 1 1 88 88 GLY H H 88 8.449 8.449 8.444 0.005 25850 496 1 1 . 1 1 89 89 LYS N N 89 120.508 120.508 121.562 -1.054 25850 497 1 1 . 1 1 89 89 LYS HA H 89 4.266 4.266 4.414 -0.148 25850 498 1 1 . 1 1 89 89 LYS C C 89 176.464 176.464 174.894 1.570 25850 499 1 1 . 1 1 89 89 LYS CA C 89 56.214 56.214 55.440 0.774 25850 500 1 1 . 1 1 89 89 LYS CB C 89 32.824 32.824 35.520 -2.696 25850 501 1 1 . 1 1 89 89 LYS H H 89 7.958 7.958 8.056 -0.098 25850 502 1 1 . 1 1 90 90 ILE N N 90 121.127 121.127 120.332 0.795 25850 503 1 1 . 1 1 90 90 ILE HA H 90 4.091 4.091 4.353 -0.262 25850 504 1 1 . 1 1 90 90 ILE C C 90 175.896 175.896 174.314 1.582 25850 505 1 1 . 1 1 90 90 ILE CA C 90 61.022 61.022 60.837 0.184 25850 506 1 1 . 1 1 90 90 ILE CB C 90 38.488 38.488 38.092 0.396 25850 507 1 1 . 1 1 90 90 ILE H H 90 8.005 8.005 7.938 0.067 25850 508 1 1 . 1 1 91 91 PHE N N 91 123.843 123.843 125.737 -1.894 25850 509 1 1 . 1 1 91 91 PHE HA H 91 4.615 4.615 4.777 -0.162 25850 510 1 1 . 1 1 91 91 PHE C C 91 175.327 175.327 176.043 -0.716 25850 511 1 1 . 1 1 91 91 PHE CA C 91 57.565 57.565 56.945 0.620 25850 512 1 1 . 1 1 91 91 PHE CB C 91 39.457 39.457 40.233 -0.777 25850 513 1 1 . 1 1 91 91 PHE H H 91 8.283 8.283 8.385 -0.102 25850 514 1 1 . 1 1 92 92 GLN N N 92 122.349 122.349 123.476 -1.127 25850 515 1 1 . 1 1 92 92 GLN HA H 92 4.296 4.296 4.385 -0.089 25850 516 1 1 . 1 1 92 92 GLN C C 92 175.338 175.338 175.819 -0.481 25850 517 1 1 . 1 1 92 92 GLN CA C 92 55.492 55.492 55.804 -0.312 25850 518 1 1 . 1 1 92 92 GLN CB C 92 29.708 29.708 29.339 0.369 25850 519 1 1 . 1 1 92 92 GLN H H 92 8.212 8.212 8.553 -0.341 25850 520 1 1 . 1 1 93 93 LYS N N 93 123.137 123.137 123.373 -0.236 25850 521 1 1 . 1 1 93 93 LYS HA H 93 4.250 4.250 4.255 -0.005 25850 522 1 1 . 1 1 93 93 LYS C C 93 176.492 176.492 177.096 -0.604 25850 523 1 1 . 1 1 93 93 LYS CA C 93 56.272 56.272 56.459 -0.187 25850 524 1 1 . 1 1 93 93 LYS CB C 93 33.055 33.055 32.525 0.530 25850 525 1 1 . 1 1 93 93 LYS H H 93 8.364 8.364 8.270 0.094 25850 526 1 1 . 1 1 94 94 GLU N N 94 122.671 122.671 123.738 -1.067 25850 527 1 1 . 1 1 94 94 GLU HA H 94 4.246 4.246 4.282 -0.036 25850 528 1 1 . 1 1 94 94 GLU C C 94 177.008 177.008 177.323 -0.315 25850 529 1 1 . 1 1 94 94 GLU CA C 94 56.848 56.848 56.396 0.452 25850 530 1 1 . 1 1 94 94 GLU CB C 94 30.054 30.054 28.879 1.175 25850 531 1 1 . 1 1 94 94 GLU H H 94 8.571 8.571 8.609 -0.038 25850 532 1 1 . 1 1 95 95 GLY N N 95 110.337 110.337 115.208 -4.871 25850 533 1 1 . 1 1 95 95 GLY C C 95 174.070 174.070 174.130 -0.060 25850 534 1 1 . 1 1 95 95 GLY CA C 95 45.191 45.191 45.418 -0.227 25850 535 1 1 . 1 1 95 95 GLY H H 95 8.490 8.490 8.549 -0.059 25850 536 1 1 . 1 1 96 96 GLU N N 96 120.183 120.183 121.243 -1.060 25850 537 1 1 . 1 1 96 96 GLU HA H 96 4.339 4.339 4.330 0.009 25850 538 1 1 . 1 1 96 96 GLU C C 96 176.463 176.463 175.834 0.629 25850 539 1 1 . 1 1 96 96 GLU CA C 96 56.204 56.204 56.298 -0.094 25850 540 1 1 . 1 1 96 96 GLU CB C 96 30.433 30.433 30.044 0.389 25850 541 1 1 . 1 1 96 96 GLU H H 96 8.142 8.142 8.088 0.054 25850 542 1 1 . 1 1 97 97 SER N N 97 116.979 116.979 122.503 -5.524 25850 543 1 1 . 1 1 97 97 SER HA H 97 4.472 4.472 4.705 -0.233 25850 544 1 1 . 1 1 97 97 SER C C 97 174.162 174.162 173.996 0.166 25850 545 1 1 . 1 1 97 97 SER CA C 97 58.070 58.070 57.484 0.586 25850 546 1 1 . 1 1 97 97 SER CB C 97 63.710 63.710 63.649 0.061 25850 547 1 1 . 1 1 97 97 SER H H 97 8.381 8.381 8.742 -0.361 25850 548 1 1 . 1 1 98 98 ILE N N 98 122.626 122.626 127.788 -5.162 25850 549 1 1 . 1 1 98 98 ILE HA H 98 4.201 4.201 4.202 -0.001 25850 550 1 1 . 1 1 98 98 ILE C C 98 175.921 175.921 175.129 0.792 25850 551 1 1 . 1 1 98 98 ILE CA C 98 60.947 60.947 60.956 -0.009 25850 552 1 1 . 1 1 98 98 ILE CB C 98 38.616 38.616 37.395 1.221 25850 553 1 1 . 1 1 98 98 ILE H H 98 8.216 8.216 8.751 -0.535 25850 554 1 1 . 1 1 99 99 LEU N N 99 126.765 126.765 130.778 -4.013 25850 555 1 1 . 1 1 99 99 LEU HA H 99 4.399 4.399 4.635 -0.236 25850 556 1 1 . 1 1 99 99 LEU C C 99 176.093 176.093 176.273 -0.180 25850 557 1 1 . 1 1 99 99 LEU CA C 99 54.853 54.853 54.351 0.502 25850 558 1 1 . 1 1 99 99 LEU CB C 99 42.135 42.135 41.840 0.295 25850 559 1 1 . 1 1 99 99 LEU H H 99 8.326 8.326 8.453 -0.127 25850 560 1 2 . 1 1 2 2 GLY C C 2 173.891 173.891 174.239 -0.348 25850 561 1 2 . 1 1 2 2 GLY CA C 2 44.831 44.831 44.530 0.301 25850 562 1 2 . 1 1 3 3 SER N N 3 117.545 117.545 118.375 -0.830 25850 563 1 2 . 1 1 3 3 SER HA H 3 4.799 4.799 4.632 0.167 25850 564 1 2 . 1 1 3 3 SER C C 3 173.162 173.162 174.079 -0.917 25850 565 1 2 . 1 1 3 3 SER CA C 3 56.530 56.530 57.035 -0.505 25850 566 1 2 . 1 1 3 3 SER CB C 3 63.002 63.002 63.654 -0.652 25850 567 1 2 . 1 1 3 3 SER H H 3 8.428 8.428 8.402 0.026 25850 568 1 2 . 1 1 4 4 PRO HA H 4 4.644 4.644 4.284 0.360 25850 569 1 2 . 1 1 4 4 PRO C C 4 178.093 178.093 177.361 0.732 25850 570 1 2 . 1 1 4 4 PRO CA C 4 65.378 65.378 65.057 0.321 25850 571 1 2 . 1 1 4 4 PRO CB C 4 31.965 31.965 31.834 0.131 25850 572 1 2 . 1 1 5 5 ASP N N 5 115.270 115.270 116.141 -0.871 25850 573 1 2 . 1 1 5 5 ASP HA H 5 4.353 4.353 4.313 0.040 25850 574 1 2 . 1 1 5 5 ASP C C 5 178.915 178.915 178.424 0.491 25850 575 1 2 . 1 1 5 5 ASP CA C 5 56.796 56.796 57.759 -0.963 25850 576 1 2 . 1 1 5 5 ASP CB C 5 40.690 40.690 40.171 0.519 25850 577 1 2 . 1 1 5 5 ASP H H 5 8.233 8.233 8.929 -0.696 25850 578 1 2 . 1 1 6 6 GLU N N 6 121.390 121.390 119.600 1.790 25850 579 1 2 . 1 1 6 6 GLU HA H 6 4.027 4.027 4.063 -0.036 25850 580 1 2 . 1 1 6 6 GLU C C 6 178.836 178.836 178.838 -0.002 25850 581 1 2 . 1 1 6 6 GLU CA C 6 58.594 58.594 58.750 -0.156 25850 582 1 2 . 1 1 6 6 GLU CB C 6 29.641 29.641 29.515 0.126 25850 583 1 2 . 1 1 6 6 GLU H H 6 7.770 7.770 7.737 0.033 25850 584 1 2 . 1 1 7 7 ASN N N 7 119.966 119.966 118.838 1.128 25850 585 1 2 . 1 1 7 7 ASN HA H 7 4.155 4.155 4.270 -0.115 25850 586 1 2 . 1 1 7 7 ASN C C 7 176.723 176.723 177.530 -0.807 25850 587 1 2 . 1 1 7 7 ASN CA C 7 55.007 55.007 55.767 -0.760 25850 588 1 2 . 1 1 7 7 ASN CB C 7 36.627 36.627 37.960 -1.333 25850 589 1 2 . 1 1 7 7 ASN H H 7 8.378 8.378 7.519 0.859 25850 590 1 2 . 1 1 8 8 ILE N N 8 119.915 119.915 121.000 -1.085 25850 591 1 2 . 1 1 8 8 ILE HA H 8 3.608 3.608 3.664 -0.056 25850 592 1 2 . 1 1 8 8 ILE CA C 8 66.495 66.495 65.689 0.806 25850 593 1 2 . 1 1 8 8 ILE CB C 8 37.558 37.558 37.683 -0.125 25850 594 1 2 . 1 1 8 8 ILE H H 8 8.626 8.626 7.978 0.648 25850 595 1 2 . 1 1 9 9 ALA N N 9 121.268 121.268 120.911 0.357 25850 596 1 2 . 1 1 9 9 ALA HA H 9 4.235 4.235 3.946 0.289 25850 597 1 2 . 1 1 9 9 ALA C C 9 180.624 180.624 179.564 1.060 25850 598 1 2 . 1 1 9 9 ALA CA C 9 54.922 54.922 55.163 -0.241 25850 599 1 2 . 1 1 9 9 ALA CB C 9 17.710 17.710 18.013 -0.303 25850 600 1 2 . 1 1 9 9 ALA H H 9 7.597 7.597 7.558 0.039 25850 601 1 2 . 1 1 10 10 LYS N N 10 118.798 118.798 119.566 -0.768 25850 602 1 2 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.907 0.104 25850 603 1 2 . 1 1 10 10 LYS C C 10 180.034 180.034 179.113 0.921 25850 604 1 2 . 1 1 10 10 LYS CA C 10 59.264 59.264 59.157 0.107 25850 605 1 2 . 1 1 10 10 LYS CB C 10 31.744 31.744 32.049 -0.305 25850 606 1 2 . 1 1 10 10 LYS H H 10 7.569 7.569 7.360 0.209 25850 607 1 2 . 1 1 11 11 PHE N N 11 121.394 121.394 117.666 3.728 25850 608 1 2 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.349 0.379 25850 609 1 2 . 1 1 11 11 PHE C C 11 178.445 178.445 178.387 0.058 25850 610 1 2 . 1 1 11 11 PHE CA C 11 59.549 59.549 60.035 -0.486 25850 611 1 2 . 1 1 11 11 PHE CB C 11 39.001 39.001 38.292 0.709 25850 612 1 2 . 1 1 11 11 PHE H H 11 8.347 8.347 7.662 0.685 25850 613 1 2 . 1 1 12 12 GLU N N 12 121.864 121.864 120.267 1.597 25850 614 1 2 . 1 1 12 12 GLU HA H 12 4.127 4.127 4.087 0.040 25850 615 1 2 . 1 1 12 12 GLU C C 12 179.600 179.600 178.541 1.059 25850 616 1 2 . 1 1 12 12 GLU CA C 12 59.803 59.803 58.890 0.913 25850 617 1 2 . 1 1 12 12 GLU CB C 12 29.488 29.488 29.360 0.128 25850 618 1 2 . 1 1 12 12 GLU H H 12 9.184 9.184 8.361 0.823 25850 619 1 2 . 1 1 13 13 LYS N N 13 120.472 120.472 119.644 0.828 25850 620 1 2 . 1 1 13 13 LYS HA H 13 4.127 4.127 4.207 -0.080 25850 621 1 2 . 1 1 13 13 LYS C C 13 179.120 179.120 178.710 0.410 25850 622 1 2 . 1 1 13 13 LYS CA C 13 59.308 59.308 58.769 0.539 25850 623 1 2 . 1 1 13 13 LYS CB C 13 32.147 32.147 32.537 -0.390 25850 624 1 2 . 1 1 13 13 LYS H H 13 7.800 7.800 7.997 -0.197 25850 625 1 2 . 1 1 14 14 ALA N N 14 122.753 122.753 121.578 1.175 25850 626 1 2 . 1 1 14 14 ALA HA H 14 4.205 4.205 4.176 0.029 25850 627 1 2 . 1 1 14 14 ALA C C 14 180.640 180.640 179.647 0.993 25850 628 1 2 . 1 1 14 14 ALA CA C 14 54.756 54.756 54.775 -0.019 25850 629 1 2 . 1 1 14 14 ALA CB C 14 17.913 17.913 18.096 -0.183 25850 630 1 2 . 1 1 14 14 ALA H H 14 8.001 8.001 8.073 -0.072 25850 631 1 2 . 1 1 15 15 TYR HA H 15 3.850 3.850 4.142 -0.292 25850 632 1 2 . 1 1 15 15 TYR C C 15 175.898 175.898 177.652 -1.754 25850 633 1 2 . 1 1 15 15 TYR CA C 15 62.008 62.008 61.656 0.352 25850 634 1 2 . 1 1 15 15 TYR CB C 15 37.756 37.756 38.406 -0.650 25850 635 1 2 . 1 1 15 15 TYR H H 15 8.906 8.906 8.020 0.886 25850 636 1 2 . 1 1 16 16 LYS N N 16 119.082 119.082 118.385 0.697 25850 637 1 2 . 1 1 16 16 LYS HA H 16 3.985 3.985 3.809 0.176 25850 638 1 2 . 1 1 16 16 LYS C C 16 179.068 179.068 178.563 0.505 25850 639 1 2 . 1 1 16 16 LYS CA C 16 58.622 58.622 59.853 -1.231 25850 640 1 2 . 1 1 16 16 LYS CB C 16 32.131 32.131 32.169 -0.038 25850 641 1 2 . 1 1 16 16 LYS H H 16 8.059 8.059 7.681 0.378 25850 642 1 2 . 1 1 17 17 LYS N N 17 119.708 119.708 120.334 -0.626 25850 643 1 2 . 1 1 17 17 LYS HA H 17 4.142 4.142 4.305 -0.163 25850 644 1 2 . 1 1 17 17 LYS CA C 17 57.951 57.951 59.219 -1.268 25850 645 1 2 . 1 1 17 17 LYS CB C 17 31.802 31.802 32.547 -0.745 25850 646 1 2 . 1 1 17 17 LYS H H 17 7.900 7.900 7.751 0.149 25850 647 1 2 . 1 1 18 18 ALA N N 18 120.860 120.860 121.415 -0.555 25850 648 1 2 . 1 1 18 18 ALA HA H 18 4.329 4.329 4.027 0.302 25850 649 1 2 . 1 1 18 18 ALA C C 18 179.572 179.572 179.046 0.526 25850 650 1 2 . 1 1 18 18 ALA CA C 18 54.110 54.110 55.130 -1.020 25850 651 1 2 . 1 1 18 18 ALA CB C 18 18.782 18.782 17.979 0.803 25850 652 1 2 . 1 1 18 18 ALA H H 18 7.854 7.854 8.033 -0.179 25850 653 1 2 . 1 1 19 19 GLU N N 19 120.904 120.904 118.989 1.915 25850 654 1 2 . 1 1 19 19 GLU HA H 19 4.240 4.240 3.868 0.372 25850 655 1 2 . 1 1 19 19 GLU C C 19 180.268 180.268 179.043 1.225 25850 656 1 2 . 1 1 19 19 GLU CA C 19 59.147 59.147 58.824 0.323 25850 657 1 2 . 1 1 19 19 GLU CB C 19 29.889 29.889 29.483 0.406 25850 658 1 2 . 1 1 19 19 GLU H H 19 8.690 8.690 7.807 0.883 25850 659 1 2 . 1 1 20 20 GLU N N 20 120.868 120.868 119.574 1.294 25850 660 1 2 . 1 1 20 20 GLU HA H 20 4.024 4.024 4.048 -0.024 25850 661 1 2 . 1 1 20 20 GLU C C 20 177.975 177.975 178.656 -0.681 25850 662 1 2 . 1 1 20 20 GLU CA C 20 58.935 58.935 58.645 0.290 25850 663 1 2 . 1 1 20 20 GLU CB C 20 29.549 29.549 29.621 -0.072 25850 664 1 2 . 1 1 20 20 GLU H H 20 7.898 7.898 7.627 0.271 25850 665 1 2 . 1 1 21 21 LEU N N 21 116.701 116.701 116.945 -0.244 25850 666 1 2 . 1 1 21 21 LEU HA H 21 4.351 4.351 4.225 0.126 25850 667 1 2 . 1 1 21 21 LEU C C 21 176.199 176.199 177.110 -0.911 25850 668 1 2 . 1 1 21 21 LEU CA C 21 54.158 54.158 55.172 -1.014 25850 669 1 2 . 1 1 21 21 LEU CB C 21 41.776 41.776 42.400 -0.624 25850 670 1 2 . 1 1 21 21 LEU H H 21 7.393 7.393 7.772 -0.379 25850 671 1 2 . 1 1 22 22 ASN N N 22 118.557 118.557 115.596 2.961 25850 672 1 2 . 1 1 22 22 ASN HA H 22 4.278 4.278 4.423 -0.145 25850 673 1 2 . 1 1 22 22 ASN C C 22 174.436 174.436 174.257 0.179 25850 674 1 2 . 1 1 22 22 ASN CA C 22 54.104 54.104 54.299 -0.195 25850 675 1 2 . 1 1 22 22 ASN CB C 22 37.364 37.364 37.416 -0.052 25850 676 1 2 . 1 1 22 22 ASN H H 22 7.994 7.994 7.759 0.235 25850 677 1 2 . 1 1 23 23 GLN N N 23 118.344 118.344 118.297 0.047 25850 678 1 2 . 1 1 23 23 GLN HA H 23 4.557 4.557 4.562 -0.005 25850 679 1 2 . 1 1 23 23 GLN C C 23 176.685 176.685 176.604 0.081 25850 680 1 2 . 1 1 23 23 GLN CA C 23 53.983 53.983 55.037 -1.054 25850 681 1 2 . 1 1 23 23 GLN CB C 23 27.770 27.770 28.993 -1.223 25850 682 1 2 . 1 1 23 23 GLN H H 23 8.378 8.378 7.831 0.547 25850 683 1 2 . 1 1 24 24 GLY N N 24 113.071 113.071 114.714 -1.643 25850 684 1 2 . 1 1 24 24 GLY C C 24 175.286 175.286 175.653 -0.367 25850 685 1 2 . 1 1 24 24 GLY CA C 24 47.823 47.823 46.511 1.312 25850 686 1 2 . 1 1 24 24 GLY H H 24 8.468 8.468 8.800 -0.332 25850 687 1 2 . 1 1 25 25 GLU N N 25 120.717 120.717 122.469 -1.752 25850 688 1 2 . 1 1 25 25 GLU HA H 25 4.124 4.124 4.166 -0.042 25850 689 1 2 . 1 1 25 25 GLU C C 25 176.495 176.495 178.890 -2.395 25850 690 1 2 . 1 1 25 25 GLU CA C 25 59.621 59.621 59.461 0.160 25850 691 1 2 . 1 1 25 25 GLU CB C 25 28.636 28.636 29.483 -0.847 25850 692 1 2 . 1 1 25 25 GLU H H 25 9.067 9.067 8.030 1.037 25850 693 1 2 . 1 1 26 26 LEU HA H 26 4.222 4.222 4.135 0.087 25850 694 1 2 . 1 1 26 26 LEU C C 26 180.590 180.590 179.175 1.415 25850 695 1 2 . 1 1 26 26 LEU CA C 26 56.882 56.882 57.532 -0.650 25850 696 1 2 . 1 1 26 26 LEU CB C 26 41.231 41.231 41.998 -0.767 25850 697 1 2 . 1 1 26 26 LEU H H 26 7.165 7.165 7.298 -0.133 25850 698 1 2 . 1 1 27 27 MET N N 27 121.053 121.053 117.685 3.368 25850 699 1 2 . 1 1 27 27 MET HA H 27 3.932 3.932 4.228 -0.296 25850 700 1 2 . 1 1 27 27 MET CA C 27 59.980 59.980 59.764 0.216 25850 701 1 2 . 1 1 27 27 MET CB C 27 34.537 34.537 32.347 2.189 25850 702 1 2 . 1 1 27 27 MET H H 27 8.203 8.203 8.262 -0.059 25850 703 1 2 . 1 1 28 28 GLY N N 28 106.038 106.038 106.472 -0.434 25850 704 1 2 . 1 1 28 28 GLY C C 28 174.900 174.900 175.431 -0.531 25850 705 1 2 . 1 1 28 28 GLY CA C 28 47.672 47.672 46.376 1.296 25850 706 1 2 . 1 1 28 28 GLY H H 28 8.527 8.527 8.154 0.373 25850 707 1 2 . 1 1 29 29 ARG N N 29 120.201 120.201 121.568 -1.367 25850 708 1 2 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.255 -0.060 25850 709 1 2 . 1 1 29 29 ARG C C 29 178.065 178.065 178.508 -0.443 25850 710 1 2 . 1 1 29 29 ARG CA C 29 59.974 59.974 59.271 0.703 25850 711 1 2 . 1 1 29 29 ARG CB C 29 30.416 30.416 30.194 0.222 25850 712 1 2 . 1 1 29 29 ARG H H 29 8.224 8.224 7.497 0.727 25850 713 1 2 . 1 1 30 30 ALA N N 30 121.394 121.394 123.114 -1.720 25850 714 1 2 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.182 0.015 25850 715 1 2 . 1 1 30 30 ALA C C 30 179.433 179.433 179.676 -0.243 25850 716 1 2 . 1 1 30 30 ALA CA C 30 55.838 55.838 55.201 0.637 25850 717 1 2 . 1 1 30 30 ALA CB C 30 18.269 18.269 18.352 -0.083 25850 718 1 2 . 1 1 30 30 ALA H H 30 7.876 7.876 7.908 -0.032 25850 719 1 2 . 1 1 31 31 LEU N N 31 116.122 116.122 118.293 -2.171 25850 720 1 2 . 1 1 31 31 LEU HA H 31 4.003 4.003 3.903 0.100 25850 721 1 2 . 1 1 31 31 LEU C C 31 178.416 178.416 178.950 -0.534 25850 722 1 2 . 1 1 31 31 LEU CA C 31 57.921 57.921 57.497 0.424 25850 723 1 2 . 1 1 31 31 LEU CB C 31 42.463 42.463 41.769 0.694 25850 724 1 2 . 1 1 31 31 LEU H H 31 8.084 8.084 7.638 0.446 25850 725 1 2 . 1 1 32 32 TYR N N 32 119.225 119.225 120.809 -1.584 25850 726 1 2 . 1 1 32 32 TYR HA H 32 4.063 4.063 4.300 -0.237 25850 727 1 2 . 1 1 32 32 TYR C C 32 176.310 176.310 177.538 -1.228 25850 728 1 2 . 1 1 32 32 TYR CA C 32 61.992 61.992 61.808 0.184 25850 729 1 2 . 1 1 32 32 TYR CB C 32 38.659 38.659 38.575 0.084 25850 730 1 2 . 1 1 32 32 TYR H H 32 8.562 8.562 8.400 0.162 25850 731 1 2 . 1 1 33 33 ASN N N 33 116.880 116.880 117.122 -0.242 25850 732 1 2 . 1 1 33 33 ASN HA H 33 4.068 4.068 4.095 -0.027 25850 733 1 2 . 1 1 33 33 ASN C C 33 178.353 178.353 177.601 0.752 25850 734 1 2 . 1 1 33 33 ASN CA C 33 55.858 55.858 55.531 0.327 25850 735 1 2 . 1 1 33 33 ASN CB C 33 35.968 35.968 37.339 -1.371 25850 736 1 2 . 1 1 33 33 ASN H H 33 8.213 8.213 7.969 0.244 25850 737 1 2 . 1 1 34 34 ILE N N 34 121.401 121.401 120.787 0.614 25850 738 1 2 . 1 1 34 34 ILE HA H 34 3.300 3.300 3.593 -0.293 25850 739 1 2 . 1 1 34 34 ILE C C 34 177.867 177.867 177.670 0.197 25850 740 1 2 . 1 1 34 34 ILE CA C 34 66.528 66.528 65.556 0.972 25850 741 1 2 . 1 1 34 34 ILE CB C 34 37.839 37.839 37.207 0.632 25850 742 1 2 . 1 1 34 34 ILE H H 34 8.087 8.087 7.657 0.430 25850 743 1 2 . 1 1 35 35 GLY N N 35 107.275 107.275 107.602 -0.327 25850 744 1 2 . 1 1 35 35 GLY C C 35 175.048 175.048 175.700 -0.652 25850 745 1 2 . 1 1 35 35 GLY CA C 35 48.547 48.547 46.754 1.793 25850 746 1 2 . 1 1 35 35 GLY H H 35 7.922 7.922 7.759 0.163 25850 747 1 2 . 1 1 36 36 LEU N N 36 120.414 120.414 121.335 -0.921 25850 748 1 2 . 1 1 36 36 LEU HA H 36 4.048 4.048 4.077 -0.029 25850 749 1 2 . 1 1 36 36 LEU C C 36 180.804 180.804 179.651 1.153 25850 750 1 2 . 1 1 36 36 LEU CA C 36 58.063 58.063 57.534 0.529 25850 751 1 2 . 1 1 36 36 LEU CB C 36 41.701 41.701 41.417 0.284 25850 752 1 2 . 1 1 36 36 LEU H H 36 8.177 8.177 7.768 0.409 25850 753 1 2 . 1 1 37 37 GLU N N 37 120.083 120.083 120.165 -0.082 25850 754 1 2 . 1 1 37 37 GLU HA H 37 4.075 4.075 4.067 0.008 25850 755 1 2 . 1 1 37 37 GLU C C 37 179.517 179.517 178.905 0.612 25850 756 1 2 . 1 1 37 37 GLU CA C 37 58.603 58.603 59.016 -0.413 25850 757 1 2 . 1 1 37 37 GLU CB C 37 29.799 29.799 28.870 0.929 25850 758 1 2 . 1 1 37 37 GLU H H 37 7.750 7.750 7.876 -0.126 25850 759 1 2 . 1 1 38 38 LYS N N 38 118.263 118.263 118.419 -0.156 25850 760 1 2 . 1 1 38 38 LYS HA H 38 3.862 3.862 3.949 -0.087 25850 761 1 2 . 1 1 38 38 LYS C C 38 179.253 179.253 178.750 0.503 25850 762 1 2 . 1 1 38 38 LYS CA C 38 57.937 57.937 58.742 -0.805 25850 763 1 2 . 1 1 38 38 LYS CB C 38 30.769 30.769 31.839 -1.070 25850 764 1 2 . 1 1 38 38 LYS H H 38 8.550 8.550 7.968 0.582 25850 765 1 2 . 1 1 39 39 ASN N N 39 118.329 118.329 117.238 1.091 25850 766 1 2 . 1 1 39 39 ASN HA H 39 4.193 4.193 4.488 -0.295 25850 767 1 2 . 1 1 39 39 ASN C C 39 179.428 179.428 177.358 2.070 25850 768 1 2 . 1 1 39 39 ASN CA C 39 56.177 56.177 55.885 0.292 25850 769 1 2 . 1 1 39 39 ASN CB C 39 38.478 38.478 38.695 -0.217 25850 770 1 2 . 1 1 39 39 ASN H H 39 8.294 8.294 8.204 0.090 25850 771 1 2 . 1 1 40 40 LYS N N 40 121.176 121.176 118.074 3.102 25850 772 1 2 . 1 1 40 40 LYS HA H 40 4.047 4.047 4.153 -0.106 25850 773 1 2 . 1 1 40 40 LYS C C 40 178.229 178.229 177.849 0.380 25850 774 1 2 . 1 1 40 40 LYS CA C 40 59.471 59.471 58.271 1.200 25850 775 1 2 . 1 1 40 40 LYS CB C 40 32.427 32.427 32.089 0.338 25850 776 1 2 . 1 1 40 40 LYS H H 40 7.912 7.912 7.775 0.137 25850 777 1 2 . 1 1 41 41 MET N N 41 114.548 114.548 116.216 -1.668 25850 778 1 2 . 1 1 41 41 MET HA H 41 4.512 4.512 4.419 0.093 25850 779 1 2 . 1 1 41 41 MET C C 41 175.915 175.915 177.111 -1.196 25850 780 1 2 . 1 1 41 41 MET CA C 41 55.529 55.529 56.867 -1.338 25850 781 1 2 . 1 1 41 41 MET CB C 41 34.022 34.022 33.484 0.538 25850 782 1 2 . 1 1 41 41 MET H H 41 7.389 7.389 7.627 -0.238 25850 783 1 2 . 1 1 42 42 GLY N N 42 107.409 107.409 106.654 0.755 25850 784 1 2 . 1 1 42 42 GLY C C 42 175.041 175.041 174.937 0.104 25850 785 1 2 . 1 1 42 42 GLY CA C 42 45.335 45.335 45.342 -0.007 25850 786 1 2 . 1 1 42 42 GLY H H 42 7.929 7.929 7.756 0.173 25850 787 1 2 . 1 1 43 43 LYS N N 43 124.326 124.326 122.177 2.149 25850 788 1 2 . 1 1 43 43 LYS HA H 43 4.684 4.684 4.404 0.280 25850 789 1 2 . 1 1 43 43 LYS C C 43 176.514 176.514 176.344 0.170 25850 790 1 2 . 1 1 43 43 LYS CA C 43 53.791 53.791 54.709 -0.918 25850 791 1 2 . 1 1 43 43 LYS CB C 43 30.065 30.065 31.065 -1.000 25850 792 1 2 . 1 1 43 43 LYS H H 43 8.040 8.040 8.047 -0.007 25850 793 1 2 . 1 1 44 44 VAL N N 44 121.020 121.020 120.815 0.205 25850 794 1 2 . 1 1 44 44 VAL HA H 44 3.580 3.580 3.588 -0.008 25850 795 1 2 . 1 1 44 44 VAL C C 44 177.096 177.096 177.297 -0.201 25850 796 1 2 . 1 1 44 44 VAL CA C 44 66.166 66.166 66.213 -0.047 25850 797 1 2 . 1 1 44 44 VAL CB C 44 31.869 31.869 31.902 -0.033 25850 798 1 2 . 1 1 44 44 VAL H H 44 7.439 7.439 7.602 -0.163 25850 799 1 2 . 1 1 45 45 LYS N N 45 119.164 119.164 118.830 0.334 25850 800 1 2 . 1 1 45 45 LYS HA H 45 3.950 3.950 3.908 0.042 25850 801 1 2 . 1 1 45 45 LYS C C 45 179.726 179.726 178.710 1.016 25850 802 1 2 . 1 1 45 45 LYS CA C 45 60.153 60.153 59.873 0.280 25850 803 1 2 . 1 1 45 45 LYS CB C 45 31.446 31.446 31.787 -0.341 25850 804 1 2 . 1 1 45 45 LYS H H 45 8.427 8.427 8.604 -0.177 25850 805 1 2 . 1 1 46 46 GLU N N 46 118.446 118.446 119.248 -0.802 25850 806 1 2 . 1 1 46 46 GLU HA H 46 4.092 4.092 4.067 0.025 25850 807 1 2 . 1 1 46 46 GLU C C 46 178.490 178.490 178.512 -0.022 25850 808 1 2 . 1 1 46 46 GLU CA C 46 59.327 59.327 58.471 0.855 25850 809 1 2 . 1 1 46 46 GLU CB C 46 29.764 29.764 29.617 0.147 25850 810 1 2 . 1 1 46 46 GLU H H 46 7.867 7.867 7.645 0.222 25850 811 1 2 . 1 1 47 47 ALA N N 47 122.279 122.279 123.553 -1.274 25850 812 1 2 . 1 1 47 47 ALA HA H 47 3.513 3.513 3.693 -0.180 25850 813 1 2 . 1 1 47 47 ALA C C 47 178.065 178.065 179.050 -0.985 25850 814 1 2 . 1 1 47 47 ALA CA C 47 55.905 55.905 55.083 0.822 25850 815 1 2 . 1 1 47 47 ALA CB C 47 18.256 18.256 18.187 0.069 25850 816 1 2 . 1 1 47 47 ALA H H 47 8.315 8.315 7.604 0.711 25850 817 1 2 . 1 1 48 48 ILE N N 48 115.863 115.863 117.955 -2.092 25850 818 1 2 . 1 1 48 48 ILE HA H 48 3.401 3.401 3.553 -0.152 25850 819 1 2 . 1 1 48 48 ILE C C 48 176.808 176.808 177.968 -1.160 25850 820 1 2 . 1 1 48 48 ILE CA C 48 66.282 66.282 65.636 0.646 25850 821 1 2 . 1 1 48 48 ILE CB C 48 38.375 38.375 37.524 0.851 25850 822 1 2 . 1 1 48 48 ILE H H 48 8.077 8.077 7.876 0.201 25850 823 1 2 . 1 1 49 49 GLU N N 49 116.853 116.853 118.556 -1.703 25850 824 1 2 . 1 1 49 49 GLU HA H 49 3.920 3.920 3.893 0.027 25850 825 1 2 . 1 1 49 49 GLU C C 49 179.914 179.914 179.232 0.682 25850 826 1 2 . 1 1 49 49 GLU CA C 49 59.535 59.535 59.158 0.377 25850 827 1 2 . 1 1 49 49 GLU CB C 49 28.995 28.995 28.980 0.015 25850 828 1 2 . 1 1 49 49 GLU H H 49 7.175 7.175 7.797 -0.622 25850 829 1 2 . 1 1 50 50 TYR N N 50 117.578 117.578 119.270 -1.692 25850 830 1 2 . 1 1 50 50 TYR HA H 50 3.774 3.774 4.192 -0.418 25850 831 1 2 . 1 1 50 50 TYR C C 50 178.462 178.462 178.484 -0.022 25850 832 1 2 . 1 1 50 50 TYR CA C 50 64.368 64.368 61.252 3.115 25850 833 1 2 . 1 1 50 50 TYR CB C 50 37.345 37.345 38.022 -0.677 25850 834 1 2 . 1 1 50 50 TYR H H 50 7.676 7.676 7.792 -0.116 25850 835 1 2 . 1 1 51 51 PHE N N 51 119.480 119.480 118.445 1.035 25850 836 1 2 . 1 1 51 51 PHE HA H 51 4.711 4.711 4.484 0.227 25850 837 1 2 . 1 1 51 51 PHE C C 51 178.720 178.720 177.984 0.736 25850 838 1 2 . 1 1 51 51 PHE CA C 51 58.958 58.958 60.042 -1.084 25850 839 1 2 . 1 1 51 51 PHE CB C 51 37.771 37.771 38.139 -0.368 25850 840 1 2 . 1 1 51 51 PHE H H 51 9.013 9.013 8.246 0.767 25850 841 1 2 . 1 1 52 52 LEU N N 52 120.365 120.365 120.879 -0.514 25850 842 1 2 . 1 1 52 52 LEU HA H 52 4.093 4.093 4.014 0.079 25850 843 1 2 . 1 1 52 52 LEU C C 52 180.229 180.229 179.056 1.173 25850 844 1 2 . 1 1 52 52 LEU CA C 52 58.252 58.252 58.533 -0.281 25850 845 1 2 . 1 1 52 52 LEU CB C 52 42.160 42.160 41.550 0.610 25850 846 1 2 . 1 1 52 52 LEU H H 52 8.906 8.906 8.543 0.363 25850 847 1 2 . 1 1 53 53 ARG N N 53 119.294 119.294 118.820 0.474 25850 848 1 2 . 1 1 53 53 ARG HA H 53 3.929 3.929 3.993 -0.064 25850 849 1 2 . 1 1 53 53 ARG C C 53 179.087 179.087 178.506 0.581 25850 850 1 2 . 1 1 53 53 ARG CA C 53 59.580 59.580 59.638 -0.058 25850 851 1 2 . 1 1 53 53 ARG CB C 53 31.418 31.418 29.931 1.487 25850 852 1 2 . 1 1 53 53 ARG H H 53 7.846 7.846 8.307 -0.461 25850 853 1 2 . 1 1 54 54 ALA N N 54 121.351 121.351 122.027 -0.676 25850 854 1 2 . 1 1 54 54 ALA HA H 54 3.693 3.693 3.969 -0.276 25850 855 1 2 . 1 1 54 54 ALA C C 54 177.631 177.631 179.109 -1.478 25850 856 1 2 . 1 1 54 54 ALA CA C 54 55.115 55.115 55.305 -0.190 25850 857 1 2 . 1 1 54 54 ALA CB C 54 17.612 17.612 18.436 -0.824 25850 858 1 2 . 1 1 54 54 ALA H H 54 8.892 8.892 8.182 0.710 25850 859 1 2 . 1 1 55 55 LYS N N 55 117.135 117.135 118.621 -1.486 25850 860 1 2 . 1 1 55 55 LYS HA H 55 3.835 3.835 4.280 -0.445 25850 861 1 2 . 1 1 55 55 LYS C C 55 176.970 176.970 178.530 -1.560 25850 862 1 2 . 1 1 55 55 LYS CA C 55 60.725 60.725 59.593 1.132 25850 863 1 2 . 1 1 55 55 LYS CB C 55 32.602 32.602 32.429 0.173 25850 864 1 2 . 1 1 55 55 LYS H H 55 8.626 8.626 8.110 0.516 25850 865 1 2 . 1 1 56 56 LYS N N 56 116.695 116.695 120.005 -3.310 25850 866 1 2 . 1 1 56 56 LYS HA H 56 4.171 4.171 4.089 0.082 25850 867 1 2 . 1 1 56 56 LYS C C 56 180.037 180.037 179.072 0.965 25850 868 1 2 . 1 1 56 56 LYS CA C 56 59.606 59.606 59.568 0.038 25850 869 1 2 . 1 1 56 56 LYS CB C 56 32.349 32.349 32.406 -0.057 25850 870 1 2 . 1 1 56 56 LYS H H 56 7.652 7.652 7.856 -0.204 25850 871 1 2 . 1 1 57 57 VAL N N 57 120.809 120.809 118.607 2.202 25850 872 1 2 . 1 1 57 57 VAL HA H 57 3.753 3.753 3.679 0.074 25850 873 1 2 . 1 1 57 57 VAL C C 57 178.174 178.174 178.064 0.110 25850 874 1 2 . 1 1 57 57 VAL CA C 57 66.226 66.226 65.909 0.317 25850 875 1 2 . 1 1 57 57 VAL CB C 57 31.424 31.424 31.640 -0.216 25850 876 1 2 . 1 1 57 57 VAL H H 57 7.583 7.583 7.689 -0.106 25850 877 1 2 . 1 1 58 58 PHE N N 58 118.864 118.864 119.955 -1.091 25850 878 1 2 . 1 1 58 58 PHE HA H 58 4.521 4.521 4.242 0.279 25850 879 1 2 . 1 1 58 58 PHE C C 58 179.187 179.187 177.814 1.373 25850 880 1 2 . 1 1 58 58 PHE CA C 58 59.849 59.849 61.096 -1.246 25850 881 1 2 . 1 1 58 58 PHE CB C 58 37.753 37.753 38.076 -0.323 25850 882 1 2 . 1 1 58 58 PHE H H 58 8.871 8.871 8.014 0.857 25850 883 1 2 . 1 1 59 59 ASP N N 59 119.714 119.714 119.344 0.370 25850 884 1 2 . 1 1 59 59 ASP HA H 59 4.444 4.444 4.524 -0.080 25850 885 1 2 . 1 1 59 59 ASP C C 59 180.066 180.066 177.790 2.276 25850 886 1 2 . 1 1 59 59 ASP CA C 59 57.201 57.201 57.137 0.064 25850 887 1 2 . 1 1 59 59 ASP CB C 59 39.713 39.713 40.648 -0.935 25850 888 1 2 . 1 1 59 59 ASP H H 59 9.157 9.157 8.314 0.843 25850 889 1 2 . 1 1 60 60 ALA N N 60 124.290 124.290 121.358 2.932 25850 890 1 2 . 1 1 60 60 ALA HA H 60 4.087 4.087 4.045 0.042 25850 891 1 2 . 1 1 60 60 ALA C C 60 179.389 179.389 178.643 0.746 25850 892 1 2 . 1 1 60 60 ALA CA C 60 54.760 54.760 54.121 0.639 25850 893 1 2 . 1 1 60 60 ALA CB C 60 18.025 18.025 18.795 -0.770 25850 894 1 2 . 1 1 60 60 ALA H H 60 7.742 7.742 7.553 0.189 25850 895 1 2 . 1 1 61 61 GLU N N 61 114.493 114.493 115.280 -0.787 25850 896 1 2 . 1 1 61 61 GLU HA H 61 4.259 4.259 4.184 0.075 25850 897 1 2 . 1 1 61 61 GLU C C 61 175.970 175.970 176.766 -0.796 25850 898 1 2 . 1 1 61 61 GLU CA C 61 55.049 55.049 56.266 -1.217 25850 899 1 2 . 1 1 61 61 GLU CB C 61 29.724 29.724 30.195 -0.471 25850 900 1 2 . 1 1 61 61 GLU H H 61 7.908 7.908 7.626 0.282 25850 901 1 2 . 1 1 62 62 HIS N N 62 115.130 115.130 114.690 0.440 25850 902 1 2 . 1 1 62 62 HIS HA H 62 4.264 4.264 4.261 0.003 25850 903 1 2 . 1 1 62 62 HIS C C 62 173.916 173.916 173.837 0.079 25850 904 1 2 . 1 1 62 62 HIS CA C 62 56.531 56.531 56.702 -0.171 25850 905 1 2 . 1 1 62 62 HIS CB C 62 26.039 26.039 27.738 -1.699 25850 906 1 2 . 1 1 62 62 HIS H H 62 7.830 7.830 7.662 0.168 25850 907 1 2 . 1 1 63 63 ASP N N 63 118.507 118.507 119.409 -0.902 25850 908 1 2 . 1 1 63 63 ASP HA H 63 4.854 4.854 4.790 0.064 25850 909 1 2 . 1 1 63 63 ASP C C 63 176.143 176.143 176.365 -0.222 25850 910 1 2 . 1 1 63 63 ASP CA C 63 52.127 52.127 53.396 -1.269 25850 911 1 2 . 1 1 63 63 ASP CB C 63 40.068 40.068 40.889 -0.821 25850 912 1 2 . 1 1 63 63 ASP H H 63 8.521 8.521 8.245 0.276 25850 913 1 2 . 1 1 64 64 THR N N 64 119.037 119.037 121.167 -2.130 25850 914 1 2 . 1 1 64 64 THR HA H 64 3.869 3.869 4.000 -0.131 25850 915 1 2 . 1 1 64 64 THR C C 64 176.814 176.814 175.487 1.327 25850 916 1 2 . 1 1 64 64 THR CA C 64 65.198 65.198 65.237 -0.039 25850 917 1 2 . 1 1 64 64 THR CB C 64 68.315 68.315 68.723 -0.408 25850 918 1 2 . 1 1 64 64 THR H H 64 7.907 7.907 8.239 -0.332 25850 919 1 2 . 1 1 65 65 ASP N N 65 122.892 122.892 120.558 2.334 25850 920 1 2 . 1 1 65 65 ASP HA H 65 4.287 4.287 4.388 -0.101 25850 921 1 2 . 1 1 65 65 ASP C C 65 178.326 178.326 177.979 0.347 25850 922 1 2 . 1 1 65 65 ASP CA C 65 57.350 57.350 56.658 0.692 25850 923 1 2 . 1 1 65 65 ASP CB C 65 41.121 41.121 40.472 0.649 25850 924 1 2 . 1 1 65 65 ASP H H 65 8.375 8.375 8.232 0.143 25850 925 1 2 . 1 1 66 66 GLY N N 66 109.334 109.334 106.887 2.447 25850 926 1 2 . 1 1 66 66 GLY C C 66 175.861 175.861 175.008 0.853 25850 927 1 2 . 1 1 66 66 GLY CA C 66 46.136 46.136 45.641 0.495 25850 928 1 2 . 1 1 66 66 GLY H H 66 8.234 8.234 7.704 0.530 25850 929 1 2 . 1 1 67 67 ALA N N 67 122.888 122.888 125.074 -2.186 25850 930 1 2 . 1 1 67 67 ALA HA H 67 3.892 3.892 4.037 -0.145 25850 931 1 2 . 1 1 67 67 ALA C C 67 179.384 179.384 179.175 0.209 25850 932 1 2 . 1 1 67 67 ALA CA C 67 55.960 55.960 54.989 0.971 25850 933 1 2 . 1 1 67 67 ALA CB C 67 18.611 18.611 18.590 0.021 25850 934 1 2 . 1 1 67 67 ALA H H 67 7.949 7.949 7.729 0.220 25850 935 1 2 . 1 1 68 68 ARG N N 68 118.221 118.221 117.856 0.365 25850 936 1 2 . 1 1 68 68 ARG HA H 68 3.993 3.993 3.983 0.010 25850 937 1 2 . 1 1 68 68 ARG C C 68 179.355 179.355 178.290 1.065 25850 938 1 2 . 1 1 68 68 ARG CA C 68 59.234 59.234 58.968 0.266 25850 939 1 2 . 1 1 68 68 ARG CB C 68 29.799 29.799 29.700 0.099 25850 940 1 2 . 1 1 68 68 ARG H H 68 7.917 7.917 8.045 -0.128 25850 941 1 2 . 1 1 69 69 ARG N N 69 120.551 120.551 119.996 0.555 25850 942 1 2 . 1 1 69 69 ARG HA H 69 3.923 3.923 4.030 -0.107 25850 943 1 2 . 1 1 69 69 ARG C C 69 179.120 179.120 177.889 1.231 25850 944 1 2 . 1 1 69 69 ARG CA C 69 59.310 59.310 58.763 0.547 25850 945 1 2 . 1 1 69 69 ARG CB C 69 29.189 29.189 29.911 -0.722 25850 946 1 2 . 1 1 69 69 ARG H H 69 7.749 7.749 7.323 0.426 25850 947 1 2 . 1 1 70 70 ALA N N 70 121.098 121.098 121.368 -0.270 25850 948 1 2 . 1 1 70 70 ALA HA H 70 4.016 4.016 4.209 -0.193 25850 949 1 2 . 1 1 70 70 ALA C C 70 178.438 178.438 179.419 -0.981 25850 950 1 2 . 1 1 70 70 ALA CA C 70 55.536 55.536 54.756 0.780 25850 951 1 2 . 1 1 70 70 ALA CB C 70 17.216 17.216 18.308 -1.093 25850 952 1 2 . 1 1 70 70 ALA H H 70 8.245 8.245 7.966 0.279 25850 953 1 2 . 1 1 71 71 ALA N N 71 119.333 119.333 120.362 -1.029 25850 954 1 2 . 1 1 71 71 ALA HA H 71 4.047 4.047 4.158 -0.111 25850 955 1 2 . 1 1 71 71 ALA C C 71 180.219 180.219 179.269 0.950 25850 956 1 2 . 1 1 71 71 ALA CA C 71 55.083 55.083 54.705 0.378 25850 957 1 2 . 1 1 71 71 ALA CB C 71 18.198 18.198 18.360 -0.162 25850 958 1 2 . 1 1 71 71 ALA H H 71 8.565 8.565 7.989 0.576 25850 959 1 2 . 1 1 72 72 LYS N N 72 121.188 121.188 120.065 1.123 25850 960 1 2 . 1 1 72 72 LYS HA H 72 4.107 4.107 4.057 0.050 25850 961 1 2 . 1 1 72 72 LYS C C 72 179.155 179.155 178.656 0.499 25850 962 1 2 . 1 1 72 72 LYS CA C 72 59.271 59.271 58.654 0.617 25850 963 1 2 . 1 1 72 72 LYS CB C 72 31.786 31.786 31.917 -0.131 25850 964 1 2 . 1 1 72 72 LYS H H 72 8.108 8.108 7.806 0.302 25850 965 1 2 . 1 1 73 73 SER N N 73 116.976 116.976 115.465 1.511 25850 966 1 2 . 1 1 73 73 SER HA H 73 3.957 3.957 4.110 -0.153 25850 967 1 2 . 1 1 73 73 SER C C 73 176.394 176.394 176.334 0.060 25850 968 1 2 . 1 1 73 73 SER CA C 73 62.753 62.753 61.157 1.596 25850 969 1 2 . 1 1 73 73 SER CB C 73 60.718 60.718 62.295 -1.577 25850 970 1 2 . 1 1 73 73 SER H H 73 8.057 8.057 7.847 0.210 25850 971 1 2 . 1 1 74 74 LEU N N 74 123.741 123.741 123.395 0.346 25850 972 1 2 . 1 1 74 74 LEU HA H 74 3.831 3.831 4.037 -0.206 25850 973 1 2 . 1 1 74 74 LEU C C 74 176.704 176.704 178.733 -2.029 25850 974 1 2 . 1 1 74 74 LEU CA C 74 58.545 58.545 58.512 0.033 25850 975 1 2 . 1 1 74 74 LEU CB C 74 41.862 41.862 41.934 -0.073 25850 976 1 2 . 1 1 74 74 LEU H H 74 8.341 8.341 7.762 0.579 25850 977 1 2 . 1 1 75 75 SER N N 75 113.508 113.508 114.715 -1.207 25850 978 1 2 . 1 1 75 75 SER HA H 75 4.277 4.277 4.196 0.081 25850 979 1 2 . 1 1 75 75 SER C C 75 177.668 177.668 176.460 1.208 25850 980 1 2 . 1 1 75 75 SER CA C 75 61.926 61.926 62.333 -0.407 25850 981 1 2 . 1 1 75 75 SER CB C 75 62.702 62.702 62.926 -0.224 25850 982 1 2 . 1 1 75 75 SER H H 75 8.055 8.055 8.133 -0.078 25850 983 1 2 . 1 1 76 76 GLU N N 76 119.999 119.999 121.578 -1.579 25850 984 1 2 . 1 1 76 76 GLU HA H 76 4.041 4.041 4.368 -0.327 25850 985 1 2 . 1 1 76 76 GLU C C 76 178.836 178.836 178.608 0.228 25850 986 1 2 . 1 1 76 76 GLU CA C 76 58.928 58.928 59.112 -0.184 25850 987 1 2 . 1 1 76 76 GLU CB C 76 29.684 29.684 29.717 -0.033 25850 988 1 2 . 1 1 76 76 GLU H H 76 7.874 7.874 7.901 -0.027 25850 989 1 2 . 1 1 77 77 ALA N N 77 123.551 123.551 122.618 0.933 25850 990 1 2 . 1 1 77 77 ALA HA H 77 4.242 4.242 4.270 -0.028 25850 991 1 2 . 1 1 77 77 ALA C C 77 180.005 180.005 180.244 -0.239 25850 992 1 2 . 1 1 77 77 ALA CA C 77 55.031 55.031 54.716 0.315 25850 993 1 2 . 1 1 77 77 ALA CB C 77 18.237 18.237 18.620 -0.383 25850 994 1 2 . 1 1 77 77 ALA H H 77 8.043 8.043 7.745 0.298 25850 995 1 2 . 1 1 78 78 TYR N N 78 116.371 116.371 118.688 -2.317 25850 996 1 2 . 1 1 78 78 TYR HA H 78 4.418 4.418 4.164 0.254 25850 997 1 2 . 1 1 78 78 TYR C C 78 178.901 178.901 178.251 0.650 25850 998 1 2 . 1 1 78 78 TYR CA C 78 60.302 60.302 61.822 -1.520 25850 999 1 2 . 1 1 78 78 TYR CB C 78 37.416 37.416 37.668 -0.252 25850 1000 1 2 . 1 1 78 78 TYR H H 78 8.699 8.699 8.485 0.214 25850 1001 1 2 . 1 1 79 79 GLN N N 79 116.649 116.649 118.858 -2.209 25850 1002 1 2 . 1 1 79 79 GLN HA H 79 4.212 4.212 3.982 0.230 25850 1003 1 2 . 1 1 79 79 GLN C C 79 177.778 177.778 177.876 -0.098 25850 1004 1 2 . 1 1 79 79 GLN CA C 79 57.922 57.922 59.203 -1.281 25850 1005 1 2 . 1 1 79 79 GLN CB C 79 28.659 28.659 28.468 0.191 25850 1006 1 2 . 1 1 79 79 GLN H H 79 7.667 7.667 7.950 -0.283 25850 1007 1 2 . 1 1 80 80 LYS N N 80 118.855 118.855 116.761 2.094 25850 1008 1 2 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.108 0.185 25850 1009 1 2 . 1 1 80 80 LYS C C 80 178.038 178.038 177.692 0.346 25850 1010 1 2 . 1 1 80 80 LYS CA C 80 57.474 57.474 58.452 -0.978 25850 1011 1 2 . 1 1 80 80 LYS CB C 80 32.816 32.816 32.215 0.601 25850 1012 1 2 . 1 1 80 80 LYS H H 80 7.766 7.766 7.587 0.179 25850 1013 1 2 . 1 1 81 81 VAL N N 81 117.863 117.863 117.189 0.674 25850 1014 1 2 . 1 1 81 81 VAL HA H 81 4.076 4.076 3.813 0.263 25850 1015 1 2 . 1 1 81 81 VAL C C 81 176.805 176.805 177.410 -0.605 25850 1016 1 2 . 1 1 81 81 VAL CA C 81 63.409 63.409 65.236 -1.827 25850 1017 1 2 . 1 1 81 81 VAL CB C 81 32.423 32.423 32.271 0.152 25850 1018 1 2 . 1 1 81 81 VAL H H 81 7.821 7.821 7.368 0.453 25850 1019 1 2 . 1 1 82 82 GLU N N 82 122.552 122.552 120.604 1.948 25850 1020 1 2 . 1 1 82 82 GLU HA H 82 4.277 4.277 4.236 0.041 25850 1021 1 2 . 1 1 82 82 GLU C C 82 177.559 177.559 176.073 1.486 25850 1022 1 2 . 1 1 82 82 GLU CA C 82 57.300 57.300 56.667 0.633 25850 1023 1 2 . 1 1 82 82 GLU CB C 82 29.927 29.927 28.181 1.746 25850 1024 1 2 . 1 1 82 82 GLU H H 82 8.329 8.329 8.169 0.160 25850 1025 1 2 . 1 1 83 83 GLY N N 83 109.040 109.040 112.489 -3.449 25850 1026 1 2 . 1 1 83 83 GLY C C 83 174.590 174.590 173.428 1.162 25850 1027 1 2 . 1 1 83 83 GLY CA C 83 45.530 45.530 45.701 -0.171 25850 1028 1 2 . 1 1 83 83 GLY H H 83 8.309 8.309 8.044 0.265 25850 1029 1 2 . 1 1 84 84 SER N N 84 115.258 115.258 115.947 -0.689 25850 1030 1 2 . 1 1 84 84 SER HA H 84 4.495 4.495 4.519 -0.024 25850 1031 1 2 . 1 1 84 84 SER C C 84 175.217 175.217 174.669 0.548 25850 1032 1 2 . 1 1 84 84 SER CA C 84 58.580 58.580 58.705 -0.125 25850 1033 1 2 . 1 1 84 84 SER CB C 84 63.827 63.827 64.630 -0.803 25850 1034 1 2 . 1 1 84 84 SER H H 84 8.180 8.180 8.606 -0.426 25850 1035 1 2 . 1 1 85 85 GLY N N 85 110.681 110.681 111.064 -0.383 25850 1036 1 2 . 1 1 85 85 GLY C C 85 174.063 174.063 173.049 1.014 25850 1037 1 2 . 1 1 85 85 GLY CA C 85 45.395 45.395 44.999 0.396 25850 1038 1 2 . 1 1 85 85 GLY H H 85 8.472 8.472 8.260 0.212 25850 1039 1 2 . 1 1 86 86 ASP N N 86 120.537 120.537 120.194 0.343 25850 1040 1 2 . 1 1 86 86 ASP HA H 86 4.597 4.597 4.448 0.149 25850 1041 1 2 . 1 1 86 86 ASP C C 86 176.761 176.761 175.135 1.626 25850 1042 1 2 . 1 1 86 86 ASP CA C 86 54.451 54.451 54.919 -0.468 25850 1043 1 2 . 1 1 86 86 ASP CB C 86 41.069 41.069 41.320 -0.251 25850 1044 1 2 . 1 1 86 86 ASP H H 86 8.272 8.272 8.472 -0.200 25850 1045 1 2 . 1 1 87 87 LYS N N 87 121.608 121.608 122.129 -0.521 25850 1046 1 2 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.591 -0.345 25850 1047 1 2 . 1 1 87 87 LYS C C 87 177.342 177.342 176.839 0.503 25850 1048 1 2 . 1 1 87 87 LYS CA C 87 56.545 56.545 55.636 0.909 25850 1049 1 2 . 1 1 87 87 LYS CB C 87 32.302 32.302 33.338 -1.036 25850 1050 1 2 . 1 1 87 87 LYS H H 87 8.344 8.344 8.130 0.214 25850 1051 1 2 . 1 1 88 88 GLY N N 88 108.711 108.711 112.132 -3.421 25850 1052 1 2 . 1 1 88 88 GLY C C 88 174.216 174.216 173.597 0.619 25850 1053 1 2 . 1 1 88 88 GLY CA C 88 45.339 45.339 44.689 0.650 25850 1054 1 2 . 1 1 88 88 GLY H H 88 8.449 8.449 8.745 -0.296 25850 1055 1 2 . 1 1 89 89 LYS N N 89 120.508 120.508 118.923 1.585 25850 1056 1 2 . 1 1 89 89 LYS HA H 89 4.266 4.266 3.720 0.546 25850 1057 1 2 . 1 1 89 89 LYS C C 89 176.464 176.464 174.783 1.681 25850 1058 1 2 . 1 1 89 89 LYS CA C 89 56.214 56.214 56.172 0.042 25850 1059 1 2 . 1 1 89 89 LYS CB C 89 32.824 32.824 32.220 0.604 25850 1060 1 2 . 1 1 89 89 LYS H H 89 7.958 7.958 7.556 0.402 25850 1061 1 2 . 1 1 90 90 ILE N N 90 121.127 121.127 122.700 -1.573 25850 1062 1 2 . 1 1 90 90 ILE HA H 90 4.091 4.091 3.668 0.423 25850 1063 1 2 . 1 1 90 90 ILE C C 90 175.896 175.896 176.178 -0.282 25850 1064 1 2 . 1 1 90 90 ILE CA C 90 61.022 61.022 61.445 -0.423 25850 1065 1 2 . 1 1 90 90 ILE CB C 90 38.488 38.488 37.067 1.421 25850 1066 1 2 . 1 1 90 90 ILE H H 90 8.005 8.005 8.099 -0.094 25850 1067 1 2 . 1 1 91 91 PHE N N 91 123.843 123.843 128.474 -4.631 25850 1068 1 2 . 1 1 91 91 PHE HA H 91 4.615 4.615 4.419 0.196 25850 1069 1 2 . 1 1 91 91 PHE C C 91 175.327 175.327 175.585 -0.258 25850 1070 1 2 . 1 1 91 91 PHE CA C 91 57.565 57.565 57.687 -0.122 25850 1071 1 2 . 1 1 91 91 PHE CB C 91 39.457 39.457 38.135 1.322 25850 1072 1 2 . 1 1 91 91 PHE H H 91 8.283 8.283 8.208 0.075 25850 1073 1 2 . 1 1 92 92 GLN N N 92 122.349 122.349 124.879 -2.530 25850 1074 1 2 . 1 1 92 92 GLN HA H 92 4.296 4.296 4.384 -0.088 25850 1075 1 2 . 1 1 92 92 GLN C C 92 175.338 175.338 176.056 -0.718 25850 1076 1 2 . 1 1 92 92 GLN CA C 92 55.492 55.492 55.644 -0.152 25850 1077 1 2 . 1 1 92 92 GLN CB C 92 29.708 29.708 30.083 -0.375 25850 1078 1 2 . 1 1 92 92 GLN H H 92 8.212 8.212 8.514 -0.302 25850 1079 1 2 . 1 1 93 93 LYS N N 93 123.137 123.137 125.485 -2.348 25850 1080 1 2 . 1 1 93 93 LYS HA H 93 4.250 4.250 4.198 0.052 25850 1081 1 2 . 1 1 93 93 LYS C C 93 176.492 176.492 176.357 0.135 25850 1082 1 2 . 1 1 93 93 LYS CA C 93 56.272 56.272 56.595 -0.323 25850 1083 1 2 . 1 1 93 93 LYS CB C 93 33.055 33.055 32.804 0.251 25850 1084 1 2 . 1 1 93 93 LYS H H 93 8.364 8.364 8.570 -0.206 25850 1085 1 2 . 1 1 94 94 GLU N N 94 122.671 122.671 125.938 -3.267 25850 1086 1 2 . 1 1 94 94 GLU HA H 94 4.246 4.246 4.498 -0.252 25850 1087 1 2 . 1 1 94 94 GLU C C 94 177.008 177.008 176.725 0.283 25850 1088 1 2 . 1 1 94 94 GLU CA C 94 56.848 56.848 55.904 0.945 25850 1089 1 2 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.808 -0.754 25850 1090 1 2 . 1 1 94 94 GLU H H 94 8.571 8.571 8.644 -0.073 25850 1091 1 2 . 1 1 95 95 GLY N N 95 110.337 110.337 115.841 -5.504 25850 1092 1 2 . 1 1 95 95 GLY C C 95 174.070 174.070 173.722 0.348 25850 1093 1 2 . 1 1 95 95 GLY CA C 95 45.191 45.191 44.836 0.355 25850 1094 1 2 . 1 1 95 95 GLY H H 95 8.490 8.490 8.851 -0.361 25850 1095 1 2 . 1 1 96 96 GLU N N 96 120.183 120.183 122.947 -2.764 25850 1096 1 2 . 1 1 96 96 GLU HA H 96 4.339 4.339 4.504 -0.165 25850 1097 1 2 . 1 1 96 96 GLU C C 96 176.463 176.463 175.371 1.092 25850 1098 1 2 . 1 1 96 96 GLU CA C 96 56.204 56.204 55.555 0.649 25850 1099 1 2 . 1 1 96 96 GLU CB C 96 30.433 30.433 31.212 -0.779 25850 1100 1 2 . 1 1 96 96 GLU H H 96 8.142 8.142 7.792 0.350 25850 1101 1 2 . 1 1 97 97 SER N N 97 116.979 116.979 120.038 -3.059 25850 1102 1 2 . 1 1 97 97 SER HA H 97 4.472 4.472 4.674 -0.202 25850 1103 1 2 . 1 1 97 97 SER C C 97 174.162 174.162 174.254 -0.092 25850 1104 1 2 . 1 1 97 97 SER CA C 97 58.070 58.070 57.567 0.503 25850 1105 1 2 . 1 1 97 97 SER CB C 97 63.710 63.710 64.372 -0.662 25850 1106 1 2 . 1 1 97 97 SER H H 97 8.381 8.381 8.457 -0.076 25850 1107 1 2 . 1 1 98 98 ILE N N 98 122.626 122.626 125.482 -2.856 25850 1108 1 2 . 1 1 98 98 ILE HA H 98 4.201 4.201 4.174 0.027 25850 1109 1 2 . 1 1 98 98 ILE C C 98 175.921 175.921 176.121 -0.200 25850 1110 1 2 . 1 1 98 98 ILE CA C 98 60.947 60.947 61.564 -0.617 25850 1111 1 2 . 1 1 98 98 ILE CB C 98 38.616 38.616 36.987 1.629 25850 1112 1 2 . 1 1 98 98 ILE H H 98 8.216 8.216 8.374 -0.158 25850 1113 1 2 . 1 1 99 99 LEU N N 99 126.765 126.765 125.941 0.824 25850 1114 1 2 . 1 1 99 99 LEU HA H 99 4.399 4.399 4.979 -0.580 25850 1115 1 2 . 1 1 99 99 LEU C C 99 176.093 176.093 175.974 0.119 25850 1116 1 2 . 1 1 99 99 LEU CA C 99 54.853 54.853 54.117 0.736 25850 1117 1 2 . 1 1 99 99 LEU CB C 99 42.135 42.135 43.831 -1.696 25850 1118 1 2 . 1 1 99 99 LEU H H 99 8.326 8.326 8.177 0.149 25850 1119 1 3 . 1 1 2 2 GLY C C 2 173.891 173.891 174.851 -0.960 25850 1120 1 3 . 1 1 2 2 GLY CA C 2 44.831 44.831 45.049 -0.218 25850 1121 1 3 . 1 1 3 3 SER N N 3 117.545 117.545 116.648 0.897 25850 1122 1 3 . 1 1 3 3 SER HA H 3 4.799 4.799 4.580 0.219 25850 1123 1 3 . 1 1 3 3 SER C C 3 173.162 173.162 173.966 -0.804 25850 1124 1 3 . 1 1 3 3 SER CA C 3 56.530 56.530 56.341 0.189 25850 1125 1 3 . 1 1 3 3 SER CB C 3 63.002 63.002 63.705 -0.703 25850 1126 1 3 . 1 1 3 3 SER H H 3 8.428 8.428 7.959 0.469 25850 1127 1 3 . 1 1 4 4 PRO HA H 4 4.644 4.644 4.408 0.236 25850 1128 1 3 . 1 1 4 4 PRO C C 4 178.093 178.093 178.190 -0.097 25850 1129 1 3 . 1 1 4 4 PRO CA C 4 65.378 65.378 65.136 0.242 25850 1130 1 3 . 1 1 4 4 PRO CB C 4 31.965 31.965 32.148 -0.183 25850 1131 1 3 . 1 1 5 5 ASP N N 5 115.270 115.270 116.985 -1.715 25850 1132 1 3 . 1 1 5 5 ASP HA H 5 4.353 4.353 4.255 0.098 25850 1133 1 3 . 1 1 5 5 ASP C C 5 178.915 178.915 178.379 0.536 25850 1134 1 3 . 1 1 5 5 ASP CA C 5 56.796 56.796 57.519 -0.723 25850 1135 1 3 . 1 1 5 5 ASP CB C 5 40.690 40.690 40.062 0.628 25850 1136 1 3 . 1 1 5 5 ASP H H 5 8.233 8.233 8.483 -0.250 25850 1137 1 3 . 1 1 6 6 GLU N N 6 121.390 121.390 118.345 3.045 25850 1138 1 3 . 1 1 6 6 GLU HA H 6 4.027 4.027 4.043 -0.016 25850 1139 1 3 . 1 1 6 6 GLU C C 6 178.836 178.836 178.785 0.051 25850 1140 1 3 . 1 1 6 6 GLU CA C 6 58.594 58.594 59.251 -0.657 25850 1141 1 3 . 1 1 6 6 GLU CB C 6 29.641 29.641 29.167 0.474 25850 1142 1 3 . 1 1 6 6 GLU H H 6 7.770 7.770 8.493 -0.723 25850 1143 1 3 . 1 1 7 7 ASN N N 7 119.966 119.966 117.738 2.228 25850 1144 1 3 . 1 1 7 7 ASN HA H 7 4.155 4.155 4.256 -0.101 25850 1145 1 3 . 1 1 7 7 ASN C C 7 176.723 176.723 177.711 -0.988 25850 1146 1 3 . 1 1 7 7 ASN CA C 7 55.007 55.007 55.567 -0.560 25850 1147 1 3 . 1 1 7 7 ASN CB C 7 36.627 36.627 38.133 -1.506 25850 1148 1 3 . 1 1 7 7 ASN H H 7 8.378 8.378 7.525 0.853 25850 1149 1 3 . 1 1 8 8 ILE N N 8 119.915 119.915 121.289 -1.374 25850 1150 1 3 . 1 1 8 8 ILE HA H 8 3.608 3.608 3.655 -0.047 25850 1151 1 3 . 1 1 8 8 ILE CA C 8 66.495 66.495 65.728 0.767 25850 1152 1 3 . 1 1 8 8 ILE CB C 8 37.558 37.558 37.608 -0.051 25850 1153 1 3 . 1 1 8 8 ILE H H 8 8.626 8.626 8.056 0.570 25850 1154 1 3 . 1 1 9 9 ALA N N 9 121.268 121.268 121.168 0.100 25850 1155 1 3 . 1 1 9 9 ALA HA H 9 4.235 4.235 3.938 0.297 25850 1156 1 3 . 1 1 9 9 ALA C C 9 180.624 180.624 179.449 1.175 25850 1157 1 3 . 1 1 9 9 ALA CA C 9 54.922 54.922 55.309 -0.387 25850 1158 1 3 . 1 1 9 9 ALA CB C 9 17.710 17.710 18.012 -0.302 25850 1159 1 3 . 1 1 9 9 ALA H H 9 7.597 7.597 7.593 0.004 25850 1160 1 3 . 1 1 10 10 LYS N N 10 118.798 118.798 119.176 -0.378 25850 1161 1 3 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.949 0.062 25850 1162 1 3 . 1 1 10 10 LYS C C 10 180.034 180.034 179.227 0.807 25850 1163 1 3 . 1 1 10 10 LYS CA C 10 59.264 59.264 59.055 0.209 25850 1164 1 3 . 1 1 10 10 LYS CB C 10 31.744 31.744 32.095 -0.351 25850 1165 1 3 . 1 1 10 10 LYS H H 10 7.569 7.569 7.214 0.355 25850 1166 1 3 . 1 1 11 11 PHE N N 11 121.394 121.394 117.958 3.436 25850 1167 1 3 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.385 0.344 25850 1168 1 3 . 1 1 11 11 PHE C C 11 178.445 178.445 178.327 0.118 25850 1169 1 3 . 1 1 11 11 PHE CA C 11 59.549 59.549 59.603 -0.054 25850 1170 1 3 . 1 1 11 11 PHE CB C 11 39.001 39.001 38.257 0.744 25850 1171 1 3 . 1 1 11 11 PHE H H 11 8.347 8.347 8.070 0.277 25850 1172 1 3 . 1 1 12 12 GLU N N 12 121.864 121.864 120.927 0.937 25850 1173 1 3 . 1 1 12 12 GLU HA H 12 4.127 4.127 4.072 0.055 25850 1174 1 3 . 1 1 12 12 GLU C C 12 179.600 179.600 178.430 1.170 25850 1175 1 3 . 1 1 12 12 GLU CA C 12 59.803 59.803 59.000 0.803 25850 1176 1 3 . 1 1 12 12 GLU CB C 12 29.488 29.488 29.260 0.228 25850 1177 1 3 . 1 1 12 12 GLU H H 12 9.184 9.184 8.404 0.780 25850 1178 1 3 . 1 1 13 13 LYS N N 13 120.472 120.472 119.797 0.675 25850 1179 1 3 . 1 1 13 13 LYS HA H 13 4.127 4.127 4.176 -0.049 25850 1180 1 3 . 1 1 13 13 LYS C C 13 179.120 179.120 178.847 0.273 25850 1181 1 3 . 1 1 13 13 LYS CA C 13 59.308 59.308 59.225 0.083 25850 1182 1 3 . 1 1 13 13 LYS CB C 13 32.147 32.147 32.510 -0.363 25850 1183 1 3 . 1 1 13 13 LYS H H 13 7.800 7.800 8.083 -0.283 25850 1184 1 3 . 1 1 14 14 ALA N N 14 122.753 122.753 121.230 1.523 25850 1185 1 3 . 1 1 14 14 ALA HA H 14 4.205 4.205 4.194 0.011 25850 1186 1 3 . 1 1 14 14 ALA C C 14 180.640 180.640 179.561 1.079 25850 1187 1 3 . 1 1 14 14 ALA CA C 14 54.756 54.756 54.664 0.092 25850 1188 1 3 . 1 1 14 14 ALA CB C 14 17.913 17.913 18.148 -0.235 25850 1189 1 3 . 1 1 14 14 ALA H H 14 8.001 8.001 7.966 0.035 25850 1190 1 3 . 1 1 15 15 TYR HA H 15 3.850 3.850 4.156 -0.306 25850 1191 1 3 . 1 1 15 15 TYR C C 15 175.898 175.898 177.617 -1.719 25850 1192 1 3 . 1 1 15 15 TYR CA C 15 62.008 62.008 61.687 0.321 25850 1193 1 3 . 1 1 15 15 TYR CB C 15 37.756 37.756 38.565 -0.808 25850 1194 1 3 . 1 1 15 15 TYR H H 15 8.906 8.906 7.819 1.087 25850 1195 1 3 . 1 1 16 16 LYS N N 16 119.082 119.082 117.746 1.336 25850 1196 1 3 . 1 1 16 16 LYS HA H 16 3.985 3.985 3.921 0.064 25850 1197 1 3 . 1 1 16 16 LYS C C 16 179.068 179.068 178.759 0.309 25850 1198 1 3 . 1 1 16 16 LYS CA C 16 58.622 58.622 59.556 -0.934 25850 1199 1 3 . 1 1 16 16 LYS CB C 16 32.131 32.131 32.265 -0.134 25850 1200 1 3 . 1 1 16 16 LYS H H 16 8.059 8.059 8.068 -0.009 25850 1201 1 3 . 1 1 17 17 LYS N N 17 119.708 119.708 120.282 -0.574 25850 1202 1 3 . 1 1 17 17 LYS HA H 17 4.142 4.142 4.382 -0.240 25850 1203 1 3 . 1 1 17 17 LYS CA C 17 57.951 57.951 59.240 -1.289 25850 1204 1 3 . 1 1 17 17 LYS CB C 17 31.802 31.802 32.506 -0.704 25850 1205 1 3 . 1 1 17 17 LYS H H 17 7.900 7.900 8.008 -0.108 25850 1206 1 3 . 1 1 18 18 ALA N N 18 120.860 120.860 121.659 -0.799 25850 1207 1 3 . 1 1 18 18 ALA HA H 18 4.329 4.329 4.052 0.277 25850 1208 1 3 . 1 1 18 18 ALA C C 18 179.572 179.572 179.110 0.462 25850 1209 1 3 . 1 1 18 18 ALA CA C 18 54.110 54.110 55.092 -0.982 25850 1210 1 3 . 1 1 18 18 ALA CB C 18 18.782 18.782 17.920 0.862 25850 1211 1 3 . 1 1 18 18 ALA H H 18 7.854 7.854 7.803 0.051 25850 1212 1 3 . 1 1 19 19 GLU N N 19 120.904 120.904 118.775 2.129 25850 1213 1 3 . 1 1 19 19 GLU HA H 19 4.240 4.240 3.919 0.321 25850 1214 1 3 . 1 1 19 19 GLU C C 19 180.268 180.268 178.882 1.386 25850 1215 1 3 . 1 1 19 19 GLU CA C 19 59.147 59.147 58.974 0.173 25850 1216 1 3 . 1 1 19 19 GLU CB C 19 29.889 29.889 29.372 0.517 25850 1217 1 3 . 1 1 19 19 GLU H H 19 8.690 8.690 7.836 0.854 25850 1218 1 3 . 1 1 20 20 GLU N N 20 120.868 120.868 119.653 1.215 25850 1219 1 3 . 1 1 20 20 GLU HA H 20 4.024 4.024 4.083 -0.059 25850 1220 1 3 . 1 1 20 20 GLU C C 20 177.975 177.975 178.646 -0.671 25850 1221 1 3 . 1 1 20 20 GLU CA C 20 58.935 58.935 58.687 0.248 25850 1222 1 3 . 1 1 20 20 GLU CB C 20 29.549 29.549 29.605 -0.056 25850 1223 1 3 . 1 1 20 20 GLU H H 20 7.898 7.898 7.783 0.115 25850 1224 1 3 . 1 1 21 21 LEU N N 21 116.701 116.701 116.976 -0.275 25850 1225 1 3 . 1 1 21 21 LEU HA H 21 4.351 4.351 4.206 0.145 25850 1226 1 3 . 1 1 21 21 LEU C C 21 176.199 176.199 176.834 -0.635 25850 1227 1 3 . 1 1 21 21 LEU CA C 21 54.158 54.158 55.392 -1.234 25850 1228 1 3 . 1 1 21 21 LEU CB C 21 41.776 41.776 42.222 -0.446 25850 1229 1 3 . 1 1 21 21 LEU H H 21 7.393 7.393 7.572 -0.179 25850 1230 1 3 . 1 1 22 22 ASN N N 22 118.557 118.557 113.241 5.316 25850 1231 1 3 . 1 1 22 22 ASN HA H 22 4.278 4.278 4.432 -0.154 25850 1232 1 3 . 1 1 22 22 ASN C C 22 174.436 174.436 174.416 0.020 25850 1233 1 3 . 1 1 22 22 ASN CA C 22 54.104 54.104 54.513 -0.409 25850 1234 1 3 . 1 1 22 22 ASN CB C 22 37.364 37.364 36.419 0.945 25850 1235 1 3 . 1 1 22 22 ASN H H 22 7.994 7.994 7.682 0.312 25850 1236 1 3 . 1 1 23 23 GLN N N 23 118.344 118.344 118.801 -0.457 25850 1237 1 3 . 1 1 23 23 GLN HA H 23 4.557 4.557 4.517 0.040 25850 1238 1 3 . 1 1 23 23 GLN C C 23 176.685 176.685 176.375 0.310 25850 1239 1 3 . 1 1 23 23 GLN CA C 23 53.983 53.983 54.918 -0.935 25850 1240 1 3 . 1 1 23 23 GLN CB C 23 27.770 27.770 28.725 -0.955 25850 1241 1 3 . 1 1 23 23 GLN H H 23 8.378 8.378 7.882 0.496 25850 1242 1 3 . 1 1 24 24 GLY N N 24 113.071 113.071 113.936 -0.865 25850 1243 1 3 . 1 1 24 24 GLY C C 24 175.286 175.286 175.147 0.139 25850 1244 1 3 . 1 1 24 24 GLY CA C 24 47.823 47.823 46.970 0.853 25850 1245 1 3 . 1 1 24 24 GLY H H 24 8.468 8.468 8.866 -0.398 25850 1246 1 3 . 1 1 25 25 GLU N N 25 120.717 120.717 121.927 -1.210 25850 1247 1 3 . 1 1 25 25 GLU HA H 25 4.124 4.124 3.934 0.190 25850 1248 1 3 . 1 1 25 25 GLU C C 25 176.495 176.495 178.683 -2.188 25850 1249 1 3 . 1 1 25 25 GLU CA C 25 59.621 59.621 58.863 0.758 25850 1250 1 3 . 1 1 25 25 GLU CB C 25 28.636 28.636 29.029 -0.393 25850 1251 1 3 . 1 1 25 25 GLU H H 25 9.067 9.067 8.177 0.890 25850 1252 1 3 . 1 1 26 26 LEU HA H 26 4.222 4.222 4.162 0.060 25850 1253 1 3 . 1 1 26 26 LEU C C 26 180.590 180.590 179.064 1.526 25850 1254 1 3 . 1 1 26 26 LEU CA C 26 56.882 56.882 56.937 -0.055 25850 1255 1 3 . 1 1 26 26 LEU CB C 26 41.231 41.231 42.108 -0.877 25850 1256 1 3 . 1 1 26 26 LEU H H 26 7.165 7.165 7.375 -0.210 25850 1257 1 3 . 1 1 27 27 MET N N 27 121.053 121.053 119.203 1.850 25850 1258 1 3 . 1 1 27 27 MET HA H 27 3.932 3.932 4.058 -0.126 25850 1259 1 3 . 1 1 27 27 MET CA C 27 59.980 59.980 59.927 0.053 25850 1260 1 3 . 1 1 27 27 MET CB C 27 34.537 34.537 32.323 2.214 25850 1261 1 3 . 1 1 27 27 MET H H 27 8.203 8.203 7.583 0.620 25850 1262 1 3 . 1 1 28 28 GLY N N 28 106.038 106.038 105.908 0.130 25850 1263 1 3 . 1 1 28 28 GLY C C 28 174.900 174.900 175.447 -0.547 25850 1264 1 3 . 1 1 28 28 GLY CA C 28 47.672 47.672 46.870 0.802 25850 1265 1 3 . 1 1 28 28 GLY H H 28 8.527 8.527 8.579 -0.052 25850 1266 1 3 . 1 1 29 29 ARG N N 29 120.201 120.201 122.461 -2.260 25850 1267 1 3 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.381 -0.186 25850 1268 1 3 . 1 1 29 29 ARG C C 29 178.065 178.065 178.162 -0.097 25850 1269 1 3 . 1 1 29 29 ARG CA C 29 59.974 59.974 59.057 0.917 25850 1270 1 3 . 1 1 29 29 ARG CB C 29 30.416 30.416 30.002 0.414 25850 1271 1 3 . 1 1 29 29 ARG H H 29 8.224 8.224 7.460 0.764 25850 1272 1 3 . 1 1 30 30 ALA N N 30 121.394 121.394 122.369 -0.975 25850 1273 1 3 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.115 0.082 25850 1274 1 3 . 1 1 30 30 ALA C C 30 179.433 179.433 180.096 -0.663 25850 1275 1 3 . 1 1 30 30 ALA CA C 30 55.838 55.838 55.118 0.720 25850 1276 1 3 . 1 1 30 30 ALA CB C 30 18.269 18.269 18.241 0.027 25850 1277 1 3 . 1 1 30 30 ALA H H 30 7.876 7.876 7.851 0.025 25850 1278 1 3 . 1 1 31 31 LEU N N 31 116.122 116.122 118.696 -2.574 25850 1279 1 3 . 1 1 31 31 LEU HA H 31 4.003 4.003 3.902 0.101 25850 1280 1 3 . 1 1 31 31 LEU C C 31 178.416 178.416 178.917 -0.501 25850 1281 1 3 . 1 1 31 31 LEU CA C 31 57.921 57.921 57.828 0.093 25850 1282 1 3 . 1 1 31 31 LEU CB C 31 42.463 42.463 41.763 0.700 25850 1283 1 3 . 1 1 31 31 LEU H H 31 8.084 8.084 8.065 0.019 25850 1284 1 3 . 1 1 32 32 TYR N N 32 119.225 119.225 120.254 -1.029 25850 1285 1 3 . 1 1 32 32 TYR HA H 32 4.063 4.063 4.333 -0.270 25850 1286 1 3 . 1 1 32 32 TYR C C 32 176.310 176.310 177.820 -1.510 25850 1287 1 3 . 1 1 32 32 TYR CA C 32 61.992 61.992 61.962 0.030 25850 1288 1 3 . 1 1 32 32 TYR CB C 32 38.659 38.659 38.551 0.108 25850 1289 1 3 . 1 1 32 32 TYR H H 32 8.562 8.562 8.326 0.236 25850 1290 1 3 . 1 1 33 33 ASN N N 33 116.880 116.880 117.449 -0.569 25850 1291 1 3 . 1 1 33 33 ASN HA H 33 4.068 4.068 4.135 -0.067 25850 1292 1 3 . 1 1 33 33 ASN C C 33 178.353 178.353 177.555 0.798 25850 1293 1 3 . 1 1 33 33 ASN CA C 33 55.858 55.858 56.605 -0.747 25850 1294 1 3 . 1 1 33 33 ASN CB C 33 35.968 35.968 37.792 -1.824 25850 1295 1 3 . 1 1 33 33 ASN H H 33 8.213 8.213 7.866 0.347 25850 1296 1 3 . 1 1 34 34 ILE N N 34 121.401 121.401 120.318 1.083 25850 1297 1 3 . 1 1 34 34 ILE HA H 34 3.300 3.300 3.653 -0.353 25850 1298 1 3 . 1 1 34 34 ILE C C 34 177.867 177.867 177.750 0.117 25850 1299 1 3 . 1 1 34 34 ILE CA C 34 66.528 66.528 65.391 1.137 25850 1300 1 3 . 1 1 34 34 ILE CB C 34 37.839 37.839 37.140 0.699 25850 1301 1 3 . 1 1 34 34 ILE H H 34 8.087 8.087 8.127 -0.040 25850 1302 1 3 . 1 1 35 35 GLY N N 35 107.275 107.275 107.828 -0.553 25850 1303 1 3 . 1 1 35 35 GLY C C 35 175.048 175.048 175.725 -0.677 25850 1304 1 3 . 1 1 35 35 GLY CA C 35 48.547 48.547 46.769 1.778 25850 1305 1 3 . 1 1 35 35 GLY H H 35 7.922 7.922 7.957 -0.035 25850 1306 1 3 . 1 1 36 36 LEU N N 36 120.414 120.414 121.369 -0.955 25850 1307 1 3 . 1 1 36 36 LEU HA H 36 4.048 4.048 4.030 0.018 25850 1308 1 3 . 1 1 36 36 LEU C C 36 180.804 180.804 179.553 1.251 25850 1309 1 3 . 1 1 36 36 LEU CA C 36 58.063 58.063 57.356 0.707 25850 1310 1 3 . 1 1 36 36 LEU CB C 36 41.701 41.701 41.516 0.185 25850 1311 1 3 . 1 1 36 36 LEU H H 36 8.177 8.177 7.735 0.442 25850 1312 1 3 . 1 1 37 37 GLU N N 37 120.083 120.083 119.665 0.418 25850 1313 1 3 . 1 1 37 37 GLU HA H 37 4.075 4.075 4.137 -0.062 25850 1314 1 3 . 1 1 37 37 GLU C C 37 179.517 179.517 179.042 0.475 25850 1315 1 3 . 1 1 37 37 GLU CA C 37 58.603 58.603 58.895 -0.292 25850 1316 1 3 . 1 1 37 37 GLU CB C 37 29.799 29.799 28.953 0.846 25850 1317 1 3 . 1 1 37 37 GLU H H 37 7.750 7.750 7.823 -0.073 25850 1318 1 3 . 1 1 38 38 LYS N N 38 118.263 118.263 118.724 -0.461 25850 1319 1 3 . 1 1 38 38 LYS HA H 38 3.862 3.862 4.013 -0.151 25850 1320 1 3 . 1 1 38 38 LYS C C 38 179.253 179.253 178.652 0.601 25850 1321 1 3 . 1 1 38 38 LYS CA C 38 57.937 57.937 58.491 -0.554 25850 1322 1 3 . 1 1 38 38 LYS CB C 38 30.769 30.769 31.768 -0.999 25850 1323 1 3 . 1 1 38 38 LYS H H 38 8.550 8.550 7.996 0.554 25850 1324 1 3 . 1 1 39 39 ASN N N 39 118.329 118.329 117.111 1.218 25850 1325 1 3 . 1 1 39 39 ASN HA H 39 4.193 4.193 4.461 -0.268 25850 1326 1 3 . 1 1 39 39 ASN C C 39 179.428 179.428 177.151 2.277 25850 1327 1 3 . 1 1 39 39 ASN CA C 39 56.177 56.177 56.254 -0.077 25850 1328 1 3 . 1 1 39 39 ASN CB C 39 38.478 38.478 38.759 -0.281 25850 1329 1 3 . 1 1 39 39 ASN H H 39 8.294 8.294 8.002 0.292 25850 1330 1 3 . 1 1 40 40 LYS N N 40 121.176 121.176 118.479 2.697 25850 1331 1 3 . 1 1 40 40 LYS HA H 40 4.047 4.047 4.104 -0.057 25850 1332 1 3 . 1 1 40 40 LYS C C 40 178.229 178.229 178.193 0.036 25850 1333 1 3 . 1 1 40 40 LYS CA C 40 59.471 59.471 58.360 1.111 25850 1334 1 3 . 1 1 40 40 LYS CB C 40 32.427 32.427 32.366 0.061 25850 1335 1 3 . 1 1 40 40 LYS H H 40 7.912 7.912 7.349 0.563 25850 1336 1 3 . 1 1 41 41 MET N N 41 114.548 114.548 115.991 -1.443 25850 1337 1 3 . 1 1 41 41 MET HA H 41 4.512 4.512 4.383 0.129 25850 1338 1 3 . 1 1 41 41 MET C C 41 175.915 175.915 176.792 -0.877 25850 1339 1 3 . 1 1 41 41 MET CA C 41 55.529 55.529 56.418 -0.889 25850 1340 1 3 . 1 1 41 41 MET CB C 41 34.022 34.022 32.812 1.210 25850 1341 1 3 . 1 1 41 41 MET H H 41 7.389 7.389 7.827 -0.438 25850 1342 1 3 . 1 1 42 42 GLY N N 42 107.409 107.409 107.271 0.138 25850 1343 1 3 . 1 1 42 42 GLY C C 42 175.041 175.041 174.674 0.367 25850 1344 1 3 . 1 1 42 42 GLY CA C 42 45.335 45.335 45.905 -0.570 25850 1345 1 3 . 1 1 42 42 GLY H H 42 7.929 7.929 7.620 0.309 25850 1346 1 3 . 1 1 43 43 LYS N N 43 124.326 124.326 122.861 1.465 25850 1347 1 3 . 1 1 43 43 LYS HA H 43 4.684 4.684 4.551 0.133 25850 1348 1 3 . 1 1 43 43 LYS C C 43 176.514 176.514 176.347 0.167 25850 1349 1 3 . 1 1 43 43 LYS CA C 43 53.791 53.791 54.396 -0.605 25850 1350 1 3 . 1 1 43 43 LYS CB C 43 30.065 30.065 31.605 -1.540 25850 1351 1 3 . 1 1 43 43 LYS H H 43 8.040 8.040 7.651 0.389 25850 1352 1 3 . 1 1 44 44 VAL N N 44 121.020 121.020 122.419 -1.399 25850 1353 1 3 . 1 1 44 44 VAL HA H 44 3.580 3.580 3.665 -0.085 25850 1354 1 3 . 1 1 44 44 VAL C C 44 177.096 177.096 177.555 -0.459 25850 1355 1 3 . 1 1 44 44 VAL CA C 44 66.166 66.166 65.269 0.897 25850 1356 1 3 . 1 1 44 44 VAL CB C 44 31.869 31.869 31.675 0.194 25850 1357 1 3 . 1 1 44 44 VAL H H 44 7.439 7.439 7.689 -0.250 25850 1358 1 3 . 1 1 45 45 LYS N N 45 119.164 119.164 120.303 -1.139 25850 1359 1 3 . 1 1 45 45 LYS HA H 45 3.950 3.950 4.001 -0.051 25850 1360 1 3 . 1 1 45 45 LYS C C 45 179.726 179.726 178.849 0.877 25850 1361 1 3 . 1 1 45 45 LYS CA C 45 60.153 60.153 60.199 -0.046 25850 1362 1 3 . 1 1 45 45 LYS CB C 45 31.446 31.446 31.832 -0.386 25850 1363 1 3 . 1 1 45 45 LYS H H 45 8.427 8.427 8.508 -0.081 25850 1364 1 3 . 1 1 46 46 GLU N N 46 118.446 118.446 118.877 -0.431 25850 1365 1 3 . 1 1 46 46 GLU HA H 46 4.092 4.092 4.068 0.024 25850 1366 1 3 . 1 1 46 46 GLU C C 46 178.490 178.490 178.546 -0.056 25850 1367 1 3 . 1 1 46 46 GLU CA C 46 59.327 59.327 58.753 0.574 25850 1368 1 3 . 1 1 46 46 GLU CB C 46 29.764 29.764 29.333 0.431 25850 1369 1 3 . 1 1 46 46 GLU H H 46 7.867 7.867 7.844 0.023 25850 1370 1 3 . 1 1 47 47 ALA N N 47 122.279 122.279 123.362 -1.083 25850 1371 1 3 . 1 1 47 47 ALA HA H 47 3.513 3.513 3.657 -0.144 25850 1372 1 3 . 1 1 47 47 ALA C C 47 178.065 178.065 178.871 -0.806 25850 1373 1 3 . 1 1 47 47 ALA CA C 47 55.905 55.905 54.954 0.951 25850 1374 1 3 . 1 1 47 47 ALA CB C 47 18.256 18.256 18.213 0.043 25850 1375 1 3 . 1 1 47 47 ALA H H 47 8.315 8.315 7.283 1.032 25850 1376 1 3 . 1 1 48 48 ILE N N 48 115.863 115.863 118.534 -2.671 25850 1377 1 3 . 1 1 48 48 ILE HA H 48 3.401 3.401 3.562 -0.161 25850 1378 1 3 . 1 1 48 48 ILE C C 48 176.808 176.808 177.825 -1.017 25850 1379 1 3 . 1 1 48 48 ILE CA C 48 66.282 66.282 65.758 0.524 25850 1380 1 3 . 1 1 48 48 ILE CB C 48 38.375 38.375 37.667 0.708 25850 1381 1 3 . 1 1 48 48 ILE H H 48 8.077 8.077 8.051 0.026 25850 1382 1 3 . 1 1 49 49 GLU N N 49 116.853 116.853 119.868 -3.015 25850 1383 1 3 . 1 1 49 49 GLU HA H 49 3.920 3.920 3.888 0.032 25850 1384 1 3 . 1 1 49 49 GLU C C 49 179.914 179.914 179.223 0.691 25850 1385 1 3 . 1 1 49 49 GLU CA C 49 59.535 59.535 59.674 -0.139 25850 1386 1 3 . 1 1 49 49 GLU CB C 49 28.995 28.995 29.123 -0.128 25850 1387 1 3 . 1 1 49 49 GLU H H 49 7.175 7.175 7.606 -0.431 25850 1388 1 3 . 1 1 50 50 TYR N N 50 117.578 117.578 118.281 -0.703 25850 1389 1 3 . 1 1 50 50 TYR HA H 50 3.774 3.774 4.218 -0.444 25850 1390 1 3 . 1 1 50 50 TYR C C 50 178.462 178.462 178.622 -0.160 25850 1391 1 3 . 1 1 50 50 TYR CA C 50 64.368 64.368 61.329 3.039 25850 1392 1 3 . 1 1 50 50 TYR CB C 50 37.345 37.345 38.301 -0.956 25850 1393 1 3 . 1 1 50 50 TYR H H 50 7.676 7.676 7.563 0.113 25850 1394 1 3 . 1 1 51 51 PHE N N 51 119.480 119.480 118.518 0.962 25850 1395 1 3 . 1 1 51 51 PHE HA H 51 4.711 4.711 4.428 0.282 25850 1396 1 3 . 1 1 51 51 PHE C C 51 178.720 178.720 178.047 0.673 25850 1397 1 3 . 1 1 51 51 PHE CA C 51 58.958 58.958 60.149 -1.191 25850 1398 1 3 . 1 1 51 51 PHE CB C 51 37.771 37.771 38.024 -0.253 25850 1399 1 3 . 1 1 51 51 PHE H H 51 9.013 9.013 8.155 0.858 25850 1400 1 3 . 1 1 52 52 LEU N N 52 120.365 120.365 120.477 -0.112 25850 1401 1 3 . 1 1 52 52 LEU HA H 52 4.093 4.093 3.963 0.130 25850 1402 1 3 . 1 1 52 52 LEU C C 52 180.229 180.229 178.973 1.256 25850 1403 1 3 . 1 1 52 52 LEU CA C 52 58.252 58.252 58.396 -0.144 25850 1404 1 3 . 1 1 52 52 LEU CB C 52 42.160 42.160 41.475 0.685 25850 1405 1 3 . 1 1 52 52 LEU H H 52 8.906 8.906 8.416 0.490 25850 1406 1 3 . 1 1 53 53 ARG N N 53 119.294 119.294 118.976 0.318 25850 1407 1 3 . 1 1 53 53 ARG HA H 53 3.929 3.929 3.991 -0.062 25850 1408 1 3 . 1 1 53 53 ARG C C 53 179.087 179.087 178.566 0.521 25850 1409 1 3 . 1 1 53 53 ARG CA C 53 59.580 59.580 59.621 -0.041 25850 1410 1 3 . 1 1 53 53 ARG CB C 53 31.418 31.418 29.881 1.537 25850 1411 1 3 . 1 1 53 53 ARG H H 53 7.846 7.846 7.705 0.141 25850 1412 1 3 . 1 1 54 54 ALA N N 54 121.351 121.351 122.078 -0.727 25850 1413 1 3 . 1 1 54 54 ALA HA H 54 3.693 3.693 3.965 -0.272 25850 1414 1 3 . 1 1 54 54 ALA C C 54 177.631 177.631 179.080 -1.449 25850 1415 1 3 . 1 1 54 54 ALA CA C 54 55.115 55.115 55.489 -0.373 25850 1416 1 3 . 1 1 54 54 ALA CB C 54 17.612 17.612 18.509 -0.897 25850 1417 1 3 . 1 1 54 54 ALA H H 54 8.892 8.892 8.420 0.472 25850 1418 1 3 . 1 1 55 55 LYS N N 55 117.135 117.135 119.026 -1.891 25850 1419 1 3 . 1 1 55 55 LYS HA H 55 3.835 3.835 4.210 -0.375 25850 1420 1 3 . 1 1 55 55 LYS C C 55 176.970 176.970 178.560 -1.590 25850 1421 1 3 . 1 1 55 55 LYS CA C 55 60.725 60.725 59.652 1.073 25850 1422 1 3 . 1 1 55 55 LYS CB C 55 32.602 32.602 32.420 0.182 25850 1423 1 3 . 1 1 55 55 LYS H H 55 8.626 8.626 8.116 0.510 25850 1424 1 3 . 1 1 56 56 LYS N N 56 116.695 116.695 119.879 -3.184 25850 1425 1 3 . 1 1 56 56 LYS HA H 56 4.171 4.171 4.187 -0.016 25850 1426 1 3 . 1 1 56 56 LYS C C 56 180.037 180.037 179.127 0.910 25850 1427 1 3 . 1 1 56 56 LYS CA C 56 59.606 59.606 59.494 0.112 25850 1428 1 3 . 1 1 56 56 LYS CB C 56 32.349 32.349 32.261 0.088 25850 1429 1 3 . 1 1 56 56 LYS H H 56 7.652 7.652 7.732 -0.080 25850 1430 1 3 . 1 1 57 57 VAL N N 57 120.809 120.809 118.634 2.175 25850 1431 1 3 . 1 1 57 57 VAL HA H 57 3.753 3.753 3.611 0.142 25850 1432 1 3 . 1 1 57 57 VAL C C 57 178.174 178.174 178.074 0.100 25850 1433 1 3 . 1 1 57 57 VAL CA C 57 66.226 66.226 66.154 0.072 25850 1434 1 3 . 1 1 57 57 VAL CB C 57 31.424 31.424 31.558 -0.134 25850 1435 1 3 . 1 1 57 57 VAL H H 57 7.583 7.583 7.533 0.050 25850 1436 1 3 . 1 1 58 58 PHE N N 58 118.864 118.864 119.272 -0.408 25850 1437 1 3 . 1 1 58 58 PHE HA H 58 4.521 4.521 4.090 0.431 25850 1438 1 3 . 1 1 58 58 PHE C C 58 179.187 179.187 177.654 1.533 25850 1439 1 3 . 1 1 58 58 PHE CA C 58 59.849 59.849 61.656 -1.807 25850 1440 1 3 . 1 1 58 58 PHE CB C 58 37.753 37.753 38.055 -0.302 25850 1441 1 3 . 1 1 58 58 PHE H H 58 8.871 8.871 7.850 1.021 25850 1442 1 3 . 1 1 59 59 ASP N N 59 119.714 119.714 119.577 0.137 25850 1443 1 3 . 1 1 59 59 ASP HA H 59 4.444 4.444 4.377 0.067 25850 1444 1 3 . 1 1 59 59 ASP C C 59 180.066 180.066 178.648 1.418 25850 1445 1 3 . 1 1 59 59 ASP CA C 59 57.201 57.201 57.720 -0.519 25850 1446 1 3 . 1 1 59 59 ASP CB C 59 39.713 39.713 40.449 -0.736 25850 1447 1 3 . 1 1 59 59 ASP H H 59 9.157 9.157 8.513 0.644 25850 1448 1 3 . 1 1 60 60 ALA N N 60 124.290 124.290 121.292 2.998 25850 1449 1 3 . 1 1 60 60 ALA HA H 60 4.087 4.087 3.996 0.091 25850 1450 1 3 . 1 1 60 60 ALA C C 60 179.389 179.389 178.990 0.399 25850 1451 1 3 . 1 1 60 60 ALA CA C 60 54.760 54.760 54.101 0.659 25850 1452 1 3 . 1 1 60 60 ALA CB C 60 18.025 18.025 18.741 -0.716 25850 1453 1 3 . 1 1 60 60 ALA H H 60 7.742 7.742 7.532 0.210 25850 1454 1 3 . 1 1 61 61 GLU N N 61 114.493 114.493 115.779 -1.286 25850 1455 1 3 . 1 1 61 61 GLU HA H 61 4.259 4.259 4.076 0.183 25850 1456 1 3 . 1 1 61 61 GLU C C 61 175.970 175.970 176.231 -0.261 25850 1457 1 3 . 1 1 61 61 GLU CA C 61 55.049 55.049 56.280 -1.231 25850 1458 1 3 . 1 1 61 61 GLU CB C 61 29.724 29.724 29.834 -0.109 25850 1459 1 3 . 1 1 61 61 GLU H H 61 7.908 7.908 7.704 0.204 25850 1460 1 3 . 1 1 62 62 HIS N N 62 115.130 115.130 113.023 2.107 25850 1461 1 3 . 1 1 62 62 HIS HA H 62 4.264 4.264 4.381 -0.117 25850 1462 1 3 . 1 1 62 62 HIS C C 62 173.916 173.916 174.277 -0.361 25850 1463 1 3 . 1 1 62 62 HIS CA C 62 56.531 56.531 56.731 -0.200 25850 1464 1 3 . 1 1 62 62 HIS CB C 62 26.039 26.039 27.468 -1.429 25850 1465 1 3 . 1 1 62 62 HIS H H 62 7.830 7.830 7.144 0.686 25850 1466 1 3 . 1 1 63 63 ASP N N 63 118.507 118.507 119.929 -1.422 25850 1467 1 3 . 1 1 63 63 ASP HA H 63 4.854 4.854 4.871 -0.017 25850 1468 1 3 . 1 1 63 63 ASP C C 63 176.143 176.143 176.309 -0.166 25850 1469 1 3 . 1 1 63 63 ASP CA C 63 52.127 52.127 52.810 -0.683 25850 1470 1 3 . 1 1 63 63 ASP CB C 63 40.068 40.068 40.986 -0.918 25850 1471 1 3 . 1 1 63 63 ASP H H 63 8.521 8.521 8.137 0.384 25850 1472 1 3 . 1 1 64 64 THR N N 64 119.037 119.037 121.135 -2.098 25850 1473 1 3 . 1 1 64 64 THR HA H 64 3.869 3.869 4.033 -0.164 25850 1474 1 3 . 1 1 64 64 THR C C 64 176.814 176.814 175.553 1.261 25850 1475 1 3 . 1 1 64 64 THR CA C 64 65.198 65.198 65.161 0.037 25850 1476 1 3 . 1 1 64 64 THR CB C 64 68.315 68.315 68.831 -0.516 25850 1477 1 3 . 1 1 64 64 THR H H 64 7.907 7.907 8.255 -0.348 25850 1478 1 3 . 1 1 65 65 ASP N N 65 122.892 122.892 120.847 2.045 25850 1479 1 3 . 1 1 65 65 ASP HA H 65 4.287 4.287 4.354 -0.067 25850 1480 1 3 . 1 1 65 65 ASP C C 65 178.326 178.326 178.003 0.323 25850 1481 1 3 . 1 1 65 65 ASP CA C 65 57.350 57.350 57.284 0.066 25850 1482 1 3 . 1 1 65 65 ASP CB C 65 41.121 41.121 40.514 0.607 25850 1483 1 3 . 1 1 65 65 ASP H H 65 8.375 8.375 8.315 0.060 25850 1484 1 3 . 1 1 66 66 GLY N N 66 109.334 109.334 106.809 2.525 25850 1485 1 3 . 1 1 66 66 GLY C C 66 175.861 175.861 175.320 0.541 25850 1486 1 3 . 1 1 66 66 GLY CA C 66 46.136 46.136 45.995 0.141 25850 1487 1 3 . 1 1 66 66 GLY H H 66 8.234 8.234 7.769 0.465 25850 1488 1 3 . 1 1 67 67 ALA N N 67 122.888 122.888 125.233 -2.345 25850 1489 1 3 . 1 1 67 67 ALA HA H 67 3.892 3.892 4.083 -0.191 25850 1490 1 3 . 1 1 67 67 ALA C C 67 179.384 179.384 179.093 0.291 25850 1491 1 3 . 1 1 67 67 ALA CA C 67 55.960 55.960 54.932 1.028 25850 1492 1 3 . 1 1 67 67 ALA CB C 67 18.611 18.611 18.591 0.020 25850 1493 1 3 . 1 1 67 67 ALA H H 67 7.949 7.949 7.510 0.439 25850 1494 1 3 . 1 1 68 68 ARG N N 68 118.221 118.221 117.989 0.232 25850 1495 1 3 . 1 1 68 68 ARG HA H 68 3.993 3.993 4.026 -0.033 25850 1496 1 3 . 1 1 68 68 ARG C C 68 179.355 179.355 178.426 0.929 25850 1497 1 3 . 1 1 68 68 ARG CA C 68 59.234 59.234 58.851 0.383 25850 1498 1 3 . 1 1 68 68 ARG CB C 68 29.799 29.799 29.766 0.033 25850 1499 1 3 . 1 1 68 68 ARG H H 68 7.917 7.917 7.990 -0.073 25850 1500 1 3 . 1 1 69 69 ARG N N 69 120.551 120.551 120.032 0.519 25850 1501 1 3 . 1 1 69 69 ARG HA H 69 3.923 3.923 3.994 -0.071 25850 1502 1 3 . 1 1 69 69 ARG C C 69 179.120 179.120 178.065 1.055 25850 1503 1 3 . 1 1 69 69 ARG CA C 69 59.310 59.310 59.083 0.227 25850 1504 1 3 . 1 1 69 69 ARG CB C 69 29.189 29.189 29.951 -0.762 25850 1505 1 3 . 1 1 69 69 ARG H H 69 7.749 7.749 7.937 -0.188 25850 1506 1 3 . 1 1 70 70 ALA N N 70 121.098 121.098 121.254 -0.156 25850 1507 1 3 . 1 1 70 70 ALA HA H 70 4.016 4.016 4.292 -0.276 25850 1508 1 3 . 1 1 70 70 ALA C C 70 178.438 178.438 179.463 -1.025 25850 1509 1 3 . 1 1 70 70 ALA CA C 70 55.536 55.536 54.900 0.636 25850 1510 1 3 . 1 1 70 70 ALA CB C 70 17.216 17.216 18.297 -1.081 25850 1511 1 3 . 1 1 70 70 ALA H H 70 8.245 8.245 7.889 0.356 25850 1512 1 3 . 1 1 71 71 ALA N N 71 119.333 119.333 120.335 -1.002 25850 1513 1 3 . 1 1 71 71 ALA HA H 71 4.047 4.047 4.121 -0.074 25850 1514 1 3 . 1 1 71 71 ALA C C 71 180.219 180.219 179.431 0.788 25850 1515 1 3 . 1 1 71 71 ALA CA C 71 55.083 55.083 54.806 0.277 25850 1516 1 3 . 1 1 71 71 ALA CB C 71 18.198 18.198 18.374 -0.176 25850 1517 1 3 . 1 1 71 71 ALA H H 71 8.565 8.565 8.024 0.541 25850 1518 1 3 . 1 1 72 72 LYS N N 72 121.188 121.188 120.026 1.162 25850 1519 1 3 . 1 1 72 72 LYS HA H 72 4.107 4.107 4.129 -0.022 25850 1520 1 3 . 1 1 72 72 LYS C C 72 179.155 179.155 178.513 0.642 25850 1521 1 3 . 1 1 72 72 LYS CA C 72 59.271 59.271 58.106 1.165 25850 1522 1 3 . 1 1 72 72 LYS CB C 72 31.786 31.786 31.987 -0.201 25850 1523 1 3 . 1 1 72 72 LYS H H 72 8.108 8.108 7.829 0.279 25850 1524 1 3 . 1 1 73 73 SER N N 73 116.976 116.976 115.418 1.558 25850 1525 1 3 . 1 1 73 73 SER HA H 73 3.957 3.957 4.127 -0.170 25850 1526 1 3 . 1 1 73 73 SER C C 73 176.394 176.394 176.546 -0.152 25850 1527 1 3 . 1 1 73 73 SER CA C 73 62.753 62.753 60.842 1.911 25850 1528 1 3 . 1 1 73 73 SER CB C 73 60.718 60.718 62.022 -1.304 25850 1529 1 3 . 1 1 73 73 SER H H 73 8.057 8.057 7.799 0.258 25850 1530 1 3 . 1 1 74 74 LEU N N 74 123.741 123.741 120.991 2.750 25850 1531 1 3 . 1 1 74 74 LEU HA H 74 3.831 3.831 3.817 0.014 25850 1532 1 3 . 1 1 74 74 LEU C C 74 176.704 176.704 178.059 -1.355 25850 1533 1 3 . 1 1 74 74 LEU CA C 74 58.545 58.545 57.791 0.754 25850 1534 1 3 . 1 1 74 74 LEU CB C 74 41.862 41.862 41.499 0.363 25850 1535 1 3 . 1 1 74 74 LEU H H 74 8.341 8.341 7.855 0.486 25850 1536 1 3 . 1 1 75 75 SER N N 75 113.508 113.508 115.508 -2.000 25850 1537 1 3 . 1 1 75 75 SER HA H 75 4.277 4.277 4.187 0.090 25850 1538 1 3 . 1 1 75 75 SER C C 75 177.668 177.668 176.791 0.877 25850 1539 1 3 . 1 1 75 75 SER CA C 75 61.926 61.926 62.515 -0.589 25850 1540 1 3 . 1 1 75 75 SER CB C 75 62.702 62.702 62.652 0.050 25850 1541 1 3 . 1 1 75 75 SER H H 75 8.055 8.055 7.411 0.644 25850 1542 1 3 . 1 1 76 76 GLU N N 76 119.999 119.999 120.786 -0.787 25850 1543 1 3 . 1 1 76 76 GLU HA H 76 4.041 4.041 4.104 -0.063 25850 1544 1 3 . 1 1 76 76 GLU C C 76 178.836 178.836 178.646 0.190 25850 1545 1 3 . 1 1 76 76 GLU CA C 76 58.928 58.928 59.125 -0.197 25850 1546 1 3 . 1 1 76 76 GLU CB C 76 29.684 29.684 29.138 0.546 25850 1547 1 3 . 1 1 76 76 GLU H H 76 7.874 7.874 7.597 0.277 25850 1548 1 3 . 1 1 77 77 ALA N N 77 123.551 123.551 122.901 0.650 25850 1549 1 3 . 1 1 77 77 ALA HA H 77 4.242 4.242 4.047 0.195 25850 1550 1 3 . 1 1 77 77 ALA C C 77 180.005 180.005 179.519 0.486 25850 1551 1 3 . 1 1 77 77 ALA CA C 77 55.031 55.031 55.005 0.026 25850 1552 1 3 . 1 1 77 77 ALA CB C 77 18.237 18.237 18.453 -0.216 25850 1553 1 3 . 1 1 77 77 ALA H H 77 8.043 8.043 7.470 0.573 25850 1554 1 3 . 1 1 78 78 TYR N N 78 116.371 116.371 117.377 -1.006 25850 1555 1 3 . 1 1 78 78 TYR HA H 78 4.418 4.418 4.296 0.122 25850 1556 1 3 . 1 1 78 78 TYR C C 78 178.901 178.901 178.662 0.239 25850 1557 1 3 . 1 1 78 78 TYR CA C 78 60.302 60.302 59.678 0.624 25850 1558 1 3 . 1 1 78 78 TYR CB C 78 37.416 37.416 37.546 -0.130 25850 1559 1 3 . 1 1 78 78 TYR H H 78 8.699 8.699 8.174 0.525 25850 1560 1 3 . 1 1 79 79 GLN N N 79 116.649 116.649 118.760 -2.111 25850 1561 1 3 . 1 1 79 79 GLN HA H 79 4.212 4.212 4.091 0.121 25850 1562 1 3 . 1 1 79 79 GLN C C 79 177.778 177.778 178.280 -0.502 25850 1563 1 3 . 1 1 79 79 GLN CA C 79 57.922 57.922 59.146 -1.224 25850 1564 1 3 . 1 1 79 79 GLN CB C 79 28.659 28.659 28.394 0.265 25850 1565 1 3 . 1 1 79 79 GLN H H 79 7.667 7.667 7.904 -0.237 25850 1566 1 3 . 1 1 80 80 LYS N N 80 118.855 118.855 120.179 -1.324 25850 1567 1 3 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.171 0.122 25850 1568 1 3 . 1 1 80 80 LYS C C 80 178.038 178.038 179.027 -0.989 25850 1569 1 3 . 1 1 80 80 LYS CA C 80 57.474 57.474 59.630 -2.156 25850 1570 1 3 . 1 1 80 80 LYS CB C 80 32.816 32.816 32.575 0.241 25850 1571 1 3 . 1 1 80 80 LYS H H 80 7.766 7.766 7.512 0.254 25850 1572 1 3 . 1 1 81 81 VAL N N 81 117.863 117.863 118.820 -0.957 25850 1573 1 3 . 1 1 81 81 VAL HA H 81 4.076 4.076 3.911 0.165 25850 1574 1 3 . 1 1 81 81 VAL C C 81 176.805 176.805 176.522 0.283 25850 1575 1 3 . 1 1 81 81 VAL CA C 81 63.409 63.409 65.056 -1.647 25850 1576 1 3 . 1 1 81 81 VAL CB C 81 32.423 32.423 32.162 0.261 25850 1577 1 3 . 1 1 81 81 VAL H H 81 7.821 7.821 7.805 0.016 25850 1578 1 3 . 1 1 82 82 GLU N N 82 122.552 122.552 120.634 1.918 25850 1579 1 3 . 1 1 82 82 GLU HA H 82 4.277 4.277 4.138 0.139 25850 1580 1 3 . 1 1 82 82 GLU C C 82 177.559 177.559 177.180 0.379 25850 1581 1 3 . 1 1 82 82 GLU CA C 82 57.300 57.300 57.121 0.179 25850 1582 1 3 . 1 1 82 82 GLU CB C 82 29.927 29.927 29.643 0.284 25850 1583 1 3 . 1 1 82 82 GLU H H 82 8.329 8.329 7.936 0.393 25850 1584 1 3 . 1 1 83 83 GLY N N 83 109.040 109.040 115.848 -6.808 25850 1585 1 3 . 1 1 83 83 GLY C C 83 174.590 174.590 173.870 0.720 25850 1586 1 3 . 1 1 83 83 GLY CA C 83 45.530 45.530 45.399 0.131 25850 1587 1 3 . 1 1 83 83 GLY H H 83 8.309 8.309 8.359 -0.050 25850 1588 1 3 . 1 1 84 84 SER N N 84 115.258 115.258 118.996 -3.738 25850 1589 1 3 . 1 1 84 84 SER HA H 84 4.495 4.495 4.747 -0.252 25850 1590 1 3 . 1 1 84 84 SER C C 84 175.217 175.217 174.454 0.763 25850 1591 1 3 . 1 1 84 84 SER CA C 84 58.580 58.580 57.916 0.665 25850 1592 1 3 . 1 1 84 84 SER CB C 84 63.827 63.827 64.100 -0.273 25850 1593 1 3 . 1 1 84 84 SER H H 84 8.180 8.180 8.252 -0.072 25850 1594 1 3 . 1 1 85 85 GLY N N 85 110.681 110.681 111.792 -1.111 25850 1595 1 3 . 1 1 85 85 GLY C C 85 174.063 174.063 174.616 -0.553 25850 1596 1 3 . 1 1 85 85 GLY CA C 85 45.395 45.395 45.247 0.148 25850 1597 1 3 . 1 1 85 85 GLY H H 85 8.472 8.472 8.310 0.162 25850 1598 1 3 . 1 1 86 86 ASP N N 86 120.537 120.537 119.030 1.507 25850 1599 1 3 . 1 1 86 86 ASP HA H 86 4.597 4.597 4.263 0.334 25850 1600 1 3 . 1 1 86 86 ASP C C 86 176.761 176.761 175.343 1.418 25850 1601 1 3 . 1 1 86 86 ASP CA C 86 54.451 54.451 55.487 -1.036 25850 1602 1 3 . 1 1 86 86 ASP CB C 86 41.069 41.069 40.427 0.642 25850 1603 1 3 . 1 1 86 86 ASP H H 86 8.272 8.272 7.831 0.441 25850 1604 1 3 . 1 1 87 87 LYS N N 87 121.608 121.608 115.775 5.833 25850 1605 1 3 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.080 0.166 25850 1606 1 3 . 1 1 87 87 LYS C C 87 177.342 177.342 175.353 1.989 25850 1607 1 3 . 1 1 87 87 LYS CA C 87 56.545 56.545 56.074 0.471 25850 1608 1 3 . 1 1 87 87 LYS CB C 87 32.302 32.302 31.060 1.242 25850 1609 1 3 . 1 1 87 87 LYS H H 87 8.344 8.344 8.283 0.061 25850 1610 1 3 . 1 1 88 88 GLY N N 88 108.711 108.711 108.174 0.537 25850 1611 1 3 . 1 1 88 88 GLY C C 88 174.216 174.216 174.041 0.175 25850 1612 1 3 . 1 1 88 88 GLY CA C 88 45.339 45.339 44.766 0.574 25850 1613 1 3 . 1 1 88 88 GLY H H 88 8.449 8.449 8.338 0.111 25850 1614 1 3 . 1 1 89 89 LYS N N 89 120.508 120.508 128.181 -7.673 25850 1615 1 3 . 1 1 89 89 LYS HA H 89 4.266 4.266 4.161 0.105 25850 1616 1 3 . 1 1 89 89 LYS C C 89 176.464 176.464 175.705 0.759 25850 1617 1 3 . 1 1 89 89 LYS CA C 89 56.214 56.214 55.282 0.932 25850 1618 1 3 . 1 1 89 89 LYS CB C 89 32.824 32.824 32.348 0.476 25850 1619 1 3 . 1 1 89 89 LYS H H 89 7.958 7.958 8.143 -0.185 25850 1620 1 3 . 1 1 90 90 ILE N N 90 121.127 121.127 126.043 -4.916 25850 1621 1 3 . 1 1 90 90 ILE HA H 90 4.091 4.091 3.892 0.199 25850 1622 1 3 . 1 1 90 90 ILE C C 90 175.896 175.896 175.846 0.050 25850 1623 1 3 . 1 1 90 90 ILE CA C 90 61.022 61.022 61.320 -0.298 25850 1624 1 3 . 1 1 90 90 ILE CB C 90 38.488 38.488 37.656 0.833 25850 1625 1 3 . 1 1 90 90 ILE H H 90 8.005 8.005 7.839 0.166 25850 1626 1 3 . 1 1 91 91 PHE N N 91 123.843 123.843 128.684 -4.841 25850 1627 1 3 . 1 1 91 91 PHE HA H 91 4.615 4.615 4.614 0.001 25850 1628 1 3 . 1 1 91 91 PHE C C 91 175.327 175.327 175.645 -0.318 25850 1629 1 3 . 1 1 91 91 PHE CA C 91 57.565 57.565 57.283 0.282 25850 1630 1 3 . 1 1 91 91 PHE CB C 91 39.457 39.457 39.467 -0.010 25850 1631 1 3 . 1 1 91 91 PHE H H 91 8.283 8.283 8.445 -0.162 25850 1632 1 3 . 1 1 92 92 GLN N N 92 122.349 122.349 124.000 -1.651 25850 1633 1 3 . 1 1 92 92 GLN HA H 92 4.296 4.296 4.280 0.016 25850 1634 1 3 . 1 1 92 92 GLN C C 92 175.338 175.338 175.619 -0.281 25850 1635 1 3 . 1 1 92 92 GLN CA C 92 55.492 55.492 56.290 -0.798 25850 1636 1 3 . 1 1 92 92 GLN CB C 92 29.708 29.708 28.979 0.729 25850 1637 1 3 . 1 1 92 92 GLN H H 92 8.212 8.212 8.739 -0.527 25850 1638 1 3 . 1 1 93 93 LYS N N 93 123.137 123.137 126.784 -3.647 25850 1639 1 3 . 1 1 93 93 LYS HA H 93 4.250 4.250 4.205 0.045 25850 1640 1 3 . 1 1 93 93 LYS C C 93 176.492 176.492 176.171 0.321 25850 1641 1 3 . 1 1 93 93 LYS CA C 93 56.272 56.272 56.797 -0.525 25850 1642 1 3 . 1 1 93 93 LYS CB C 93 33.055 33.055 32.898 0.157 25850 1643 1 3 . 1 1 93 93 LYS H H 93 8.364 8.364 8.688 -0.324 25850 1644 1 3 . 1 1 94 94 GLU N N 94 122.671 122.671 125.168 -2.497 25850 1645 1 3 . 1 1 94 94 GLU HA H 94 4.246 4.246 4.417 -0.171 25850 1646 1 3 . 1 1 94 94 GLU C C 94 177.008 177.008 176.466 0.542 25850 1647 1 3 . 1 1 94 94 GLU CA C 94 56.848 56.848 56.108 0.739 25850 1648 1 3 . 1 1 94 94 GLU CB C 94 30.054 30.054 29.775 0.279 25850 1649 1 3 . 1 1 94 94 GLU H H 94 8.571 8.571 8.655 -0.084 25850 1650 1 3 . 1 1 95 95 GLY N N 95 110.337 110.337 114.553 -4.216 25850 1651 1 3 . 1 1 95 95 GLY C C 95 174.070 174.070 172.843 1.227 25850 1652 1 3 . 1 1 95 95 GLY CA C 95 45.191 45.191 44.623 0.568 25850 1653 1 3 . 1 1 95 95 GLY H H 95 8.490 8.490 8.615 -0.125 25850 1654 1 3 . 1 1 96 96 GLU N N 96 120.183 120.183 119.459 0.724 25850 1655 1 3 . 1 1 96 96 GLU HA H 96 4.339 4.339 4.476 -0.137 25850 1656 1 3 . 1 1 96 96 GLU C C 96 176.463 176.463 174.587 1.876 25850 1657 1 3 . 1 1 96 96 GLU CA C 96 56.204 56.204 55.664 0.540 25850 1658 1 3 . 1 1 96 96 GLU CB C 96 30.433 30.433 31.406 -0.973 25850 1659 1 3 . 1 1 96 96 GLU H H 96 8.142 8.142 8.213 -0.071 25850 1660 1 3 . 1 1 97 97 SER N N 97 116.979 116.979 118.845 -1.866 25850 1661 1 3 . 1 1 97 97 SER HA H 97 4.472 4.472 4.894 -0.422 25850 1662 1 3 . 1 1 97 97 SER C C 97 174.162 174.162 173.383 0.779 25850 1663 1 3 . 1 1 97 97 SER CA C 97 58.070 58.070 58.384 -0.314 25850 1664 1 3 . 1 1 97 97 SER CB C 97 63.710 63.710 63.449 0.261 25850 1665 1 3 . 1 1 97 97 SER H H 97 8.381 8.381 8.536 -0.155 25850 1666 1 3 . 1 1 98 98 ILE N N 98 122.626 122.626 124.328 -1.702 25850 1667 1 3 . 1 1 98 98 ILE HA H 98 4.201 4.201 4.762 -0.561 25850 1668 1 3 . 1 1 98 98 ILE C C 98 175.921 175.921 174.469 1.452 25850 1669 1 3 . 1 1 98 98 ILE CA C 98 60.947 60.947 59.965 0.982 25850 1670 1 3 . 1 1 98 98 ILE CB C 98 38.616 38.616 39.332 -0.716 25850 1671 1 3 . 1 1 98 98 ILE H H 98 8.216 8.216 8.214 0.002 25850 1672 1 3 . 1 1 99 99 LEU N N 99 126.765 126.765 120.566 6.199 25850 1673 1 3 . 1 1 99 99 LEU HA H 99 4.399 4.399 5.062 -0.663 25850 1674 1 3 . 1 1 99 99 LEU C C 99 176.093 176.093 175.550 0.543 25850 1675 1 3 . 1 1 99 99 LEU CA C 99 54.853 54.853 54.148 0.705 25850 1676 1 3 . 1 1 99 99 LEU CB C 99 42.135 42.135 44.549 -2.414 25850 1677 1 3 . 1 1 99 99 LEU H H 99 8.326 8.326 8.987 -0.661 25850 1678 1 4 . 1 1 2 2 GLY C C 2 173.891 173.891 173.758 0.133 25850 1679 1 4 . 1 1 2 2 GLY CA C 2 44.831 44.831 44.354 0.477 25850 1680 1 4 . 1 1 3 3 SER N N 3 117.545 117.545 116.721 0.824 25850 1681 1 4 . 1 1 3 3 SER HA H 3 4.799 4.799 4.690 0.109 25850 1682 1 4 . 1 1 3 3 SER C C 3 173.162 173.162 174.621 -1.459 25850 1683 1 4 . 1 1 3 3 SER CA C 3 56.530 56.530 56.813 -0.283 25850 1684 1 4 . 1 1 3 3 SER CB C 3 63.002 63.002 63.512 -0.510 25850 1685 1 4 . 1 1 3 3 SER H H 3 8.428 8.428 8.111 0.317 25850 1686 1 4 . 1 1 4 4 PRO HA H 4 4.644 4.644 4.398 0.246 25850 1687 1 4 . 1 1 4 4 PRO C C 4 178.093 178.093 178.064 0.029 25850 1688 1 4 . 1 1 4 4 PRO CA C 4 65.378 65.378 65.621 -0.243 25850 1689 1 4 . 1 1 4 4 PRO CB C 4 31.965 31.965 31.613 0.352 25850 1690 1 4 . 1 1 5 5 ASP N N 5 115.270 115.270 114.526 0.744 25850 1691 1 4 . 1 1 5 5 ASP HA H 5 4.353 4.353 4.301 0.052 25850 1692 1 4 . 1 1 5 5 ASP C C 5 178.915 178.915 178.442 0.473 25850 1693 1 4 . 1 1 5 5 ASP CA C 5 56.796 56.796 57.167 -0.371 25850 1694 1 4 . 1 1 5 5 ASP CB C 5 40.690 40.690 39.782 0.908 25850 1695 1 4 . 1 1 5 5 ASP H H 5 8.233 8.233 8.786 -0.553 25850 1696 1 4 . 1 1 6 6 GLU N N 6 121.390 121.390 119.876 1.514 25850 1697 1 4 . 1 1 6 6 GLU HA H 6 4.027 4.027 3.935 0.092 25850 1698 1 4 . 1 1 6 6 GLU C C 6 178.836 178.836 178.936 -0.100 25850 1699 1 4 . 1 1 6 6 GLU CA C 6 58.594 58.594 58.997 -0.403 25850 1700 1 4 . 1 1 6 6 GLU CB C 6 29.641 29.641 29.457 0.184 25850 1701 1 4 . 1 1 6 6 GLU H H 6 7.770 7.770 7.840 -0.070 25850 1702 1 4 . 1 1 7 7 ASN N N 7 119.966 119.966 118.564 1.402 25850 1703 1 4 . 1 1 7 7 ASN HA H 7 4.155 4.155 4.135 0.020 25850 1704 1 4 . 1 1 7 7 ASN C C 7 176.723 176.723 177.381 -0.658 25850 1705 1 4 . 1 1 7 7 ASN CA C 7 55.007 55.007 55.687 -0.680 25850 1706 1 4 . 1 1 7 7 ASN CB C 7 36.627 36.627 38.020 -1.393 25850 1707 1 4 . 1 1 7 7 ASN H H 7 8.378 8.378 7.716 0.662 25850 1708 1 4 . 1 1 8 8 ILE N N 8 119.915 119.915 120.769 -0.854 25850 1709 1 4 . 1 1 8 8 ILE HA H 8 3.608 3.608 3.721 -0.113 25850 1710 1 4 . 1 1 8 8 ILE CA C 8 66.495 66.495 65.546 0.949 25850 1711 1 4 . 1 1 8 8 ILE CB C 8 37.558 37.558 37.639 -0.081 25850 1712 1 4 . 1 1 8 8 ILE H H 8 8.626 8.626 8.273 0.353 25850 1713 1 4 . 1 1 9 9 ALA N N 9 121.268 121.268 121.366 -0.098 25850 1714 1 4 . 1 1 9 9 ALA HA H 9 4.235 4.235 3.957 0.278 25850 1715 1 4 . 1 1 9 9 ALA C C 9 180.624 180.624 179.506 1.118 25850 1716 1 4 . 1 1 9 9 ALA CA C 9 54.922 54.922 55.190 -0.268 25850 1717 1 4 . 1 1 9 9 ALA CB C 9 17.710 17.710 18.038 -0.328 25850 1718 1 4 . 1 1 9 9 ALA H H 9 7.597 7.597 7.746 -0.149 25850 1719 1 4 . 1 1 10 10 LYS N N 10 118.798 118.798 119.037 -0.239 25850 1720 1 4 . 1 1 10 10 LYS HA H 10 4.011 4.011 4.017 -0.006 25850 1721 1 4 . 1 1 10 10 LYS C C 10 180.034 180.034 179.162 0.872 25850 1722 1 4 . 1 1 10 10 LYS CA C 10 59.264 59.264 58.951 0.313 25850 1723 1 4 . 1 1 10 10 LYS CB C 10 31.744 31.744 32.214 -0.470 25850 1724 1 4 . 1 1 10 10 LYS H H 10 7.569 7.569 7.256 0.313 25850 1725 1 4 . 1 1 11 11 PHE N N 11 121.394 121.394 118.471 2.923 25850 1726 1 4 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.344 0.384 25850 1727 1 4 . 1 1 11 11 PHE C C 11 178.445 178.445 178.245 0.200 25850 1728 1 4 . 1 1 11 11 PHE CA C 11 59.549 59.549 59.488 0.061 25850 1729 1 4 . 1 1 11 11 PHE CB C 11 39.001 39.001 38.133 0.868 25850 1730 1 4 . 1 1 11 11 PHE H H 11 8.347 8.347 7.961 0.386 25850 1731 1 4 . 1 1 12 12 GLU N N 12 121.864 121.864 120.080 1.784 25850 1732 1 4 . 1 1 12 12 GLU HA H 12 4.127 4.127 4.124 0.003 25850 1733 1 4 . 1 1 12 12 GLU C C 12 179.600 179.600 178.803 0.797 25850 1734 1 4 . 1 1 12 12 GLU CA C 12 59.803 59.803 59.034 0.769 25850 1735 1 4 . 1 1 12 12 GLU CB C 12 29.488 29.488 29.173 0.315 25850 1736 1 4 . 1 1 12 12 GLU H H 12 9.184 9.184 8.235 0.949 25850 1737 1 4 . 1 1 13 13 LYS N N 13 120.472 120.472 119.870 0.602 25850 1738 1 4 . 1 1 13 13 LYS HA H 13 4.127 4.127 4.138 -0.011 25850 1739 1 4 . 1 1 13 13 LYS C C 13 179.120 179.120 178.800 0.320 25850 1740 1 4 . 1 1 13 13 LYS CA C 13 59.308 59.308 59.380 -0.072 25850 1741 1 4 . 1 1 13 13 LYS CB C 13 32.147 32.147 32.447 -0.300 25850 1742 1 4 . 1 1 13 13 LYS H H 13 7.800 7.800 7.828 -0.028 25850 1743 1 4 . 1 1 14 14 ALA N N 14 122.753 122.753 121.279 1.474 25850 1744 1 4 . 1 1 14 14 ALA HA H 14 4.205 4.205 4.127 0.078 25850 1745 1 4 . 1 1 14 14 ALA C C 14 180.640 180.640 178.961 1.679 25850 1746 1 4 . 1 1 14 14 ALA CA C 14 54.756 54.756 54.736 0.020 25850 1747 1 4 . 1 1 14 14 ALA CB C 14 17.913 17.913 18.497 -0.584 25850 1748 1 4 . 1 1 14 14 ALA H H 14 8.001 8.001 8.081 -0.080 25850 1749 1 4 . 1 1 15 15 TYR HA H 15 3.850 3.850 4.138 -0.288 25850 1750 1 4 . 1 1 15 15 TYR C C 15 175.898 175.898 177.593 -1.695 25850 1751 1 4 . 1 1 15 15 TYR CA C 15 62.008 62.008 61.865 0.143 25850 1752 1 4 . 1 1 15 15 TYR CB C 15 37.756 37.756 38.518 -0.762 25850 1753 1 4 . 1 1 15 15 TYR H H 15 8.906 8.906 7.940 0.966 25850 1754 1 4 . 1 1 16 16 LYS N N 16 119.082 119.082 118.234 0.848 25850 1755 1 4 . 1 1 16 16 LYS HA H 16 3.985 3.985 3.918 0.067 25850 1756 1 4 . 1 1 16 16 LYS C C 16 179.068 179.068 178.702 0.366 25850 1757 1 4 . 1 1 16 16 LYS CA C 16 58.622 58.622 60.004 -1.382 25850 1758 1 4 . 1 1 16 16 LYS CB C 16 32.131 32.131 32.269 -0.138 25850 1759 1 4 . 1 1 16 16 LYS H H 16 8.059 8.059 8.126 -0.067 25850 1760 1 4 . 1 1 17 17 LYS N N 17 119.708 119.708 120.032 -0.324 25850 1761 1 4 . 1 1 17 17 LYS HA H 17 4.142 4.142 4.395 -0.253 25850 1762 1 4 . 1 1 17 17 LYS CA C 17 57.951 57.951 59.208 -1.257 25850 1763 1 4 . 1 1 17 17 LYS CB C 17 31.802 31.802 32.522 -0.720 25850 1764 1 4 . 1 1 17 17 LYS H H 17 7.900 7.900 7.765 0.135 25850 1765 1 4 . 1 1 18 18 ALA N N 18 120.860 120.860 121.400 -0.540 25850 1766 1 4 . 1 1 18 18 ALA HA H 18 4.329 4.329 4.021 0.308 25850 1767 1 4 . 1 1 18 18 ALA C C 18 179.572 179.572 179.481 0.091 25850 1768 1 4 . 1 1 18 18 ALA CA C 18 54.110 54.110 55.155 -1.045 25850 1769 1 4 . 1 1 18 18 ALA CB C 18 18.782 18.782 17.953 0.828 25850 1770 1 4 . 1 1 18 18 ALA H H 18 7.854 7.854 7.962 -0.108 25850 1771 1 4 . 1 1 19 19 GLU N N 19 120.904 120.904 118.994 1.910 25850 1772 1 4 . 1 1 19 19 GLU HA H 19 4.240 4.240 3.911 0.329 25850 1773 1 4 . 1 1 19 19 GLU C C 19 180.268 180.268 178.966 1.302 25850 1774 1 4 . 1 1 19 19 GLU CA C 19 59.147 59.147 58.716 0.431 25850 1775 1 4 . 1 1 19 19 GLU CB C 19 29.889 29.889 29.233 0.656 25850 1776 1 4 . 1 1 19 19 GLU H H 19 8.690 8.690 7.802 0.888 25850 1777 1 4 . 1 1 20 20 GLU N N 20 120.868 120.868 119.358 1.510 25850 1778 1 4 . 1 1 20 20 GLU HA H 20 4.024 4.024 4.064 -0.040 25850 1779 1 4 . 1 1 20 20 GLU C C 20 177.975 177.975 178.749 -0.774 25850 1780 1 4 . 1 1 20 20 GLU CA C 20 58.935 58.935 58.656 0.279 25850 1781 1 4 . 1 1 20 20 GLU CB C 20 29.549 29.549 29.523 0.026 25850 1782 1 4 . 1 1 20 20 GLU H H 20 7.898 7.898 7.688 0.210 25850 1783 1 4 . 1 1 21 21 LEU N N 21 116.701 116.701 116.470 0.231 25850 1784 1 4 . 1 1 21 21 LEU HA H 21 4.351 4.351 4.251 0.100 25850 1785 1 4 . 1 1 21 21 LEU C C 21 176.199 176.199 176.741 -0.542 25850 1786 1 4 . 1 1 21 21 LEU CA C 21 54.158 54.158 54.932 -0.774 25850 1787 1 4 . 1 1 21 21 LEU CB C 21 41.776 41.776 42.299 -0.523 25850 1788 1 4 . 1 1 21 21 LEU H H 21 7.393 7.393 7.570 -0.177 25850 1789 1 4 . 1 1 22 22 ASN N N 22 118.557 118.557 116.064 2.493 25850 1790 1 4 . 1 1 22 22 ASN HA H 22 4.278 4.278 4.448 -0.170 25850 1791 1 4 . 1 1 22 22 ASN C C 22 174.436 174.436 174.344 0.092 25850 1792 1 4 . 1 1 22 22 ASN CA C 22 54.104 54.104 54.216 -0.112 25850 1793 1 4 . 1 1 22 22 ASN CB C 22 37.364 37.364 37.505 -0.141 25850 1794 1 4 . 1 1 22 22 ASN H H 22 7.994 7.994 7.594 0.400 25850 1795 1 4 . 1 1 23 23 GLN N N 23 118.344 118.344 118.429 -0.085 25850 1796 1 4 . 1 1 23 23 GLN HA H 23 4.557 4.557 4.595 -0.038 25850 1797 1 4 . 1 1 23 23 GLN C C 23 176.685 176.685 176.585 0.100 25850 1798 1 4 . 1 1 23 23 GLN CA C 23 53.983 53.983 54.787 -0.804 25850 1799 1 4 . 1 1 23 23 GLN CB C 23 27.770 27.770 29.073 -1.303 25850 1800 1 4 . 1 1 23 23 GLN H H 23 8.378 8.378 7.946 0.432 25850 1801 1 4 . 1 1 24 24 GLY N N 24 113.071 113.071 114.734 -1.663 25850 1802 1 4 . 1 1 24 24 GLY C C 24 175.286 175.286 175.311 -0.025 25850 1803 1 4 . 1 1 24 24 GLY CA C 24 47.823 47.823 46.924 0.899 25850 1804 1 4 . 1 1 24 24 GLY H H 24 8.468 8.468 8.827 -0.359 25850 1805 1 4 . 1 1 25 25 GLU N N 25 120.717 120.717 121.895 -1.178 25850 1806 1 4 . 1 1 25 25 GLU HA H 25 4.124 4.124 3.987 0.137 25850 1807 1 4 . 1 1 25 25 GLU C C 25 176.495 176.495 178.677 -2.182 25850 1808 1 4 . 1 1 25 25 GLU CA C 25 59.621 59.621 58.929 0.692 25850 1809 1 4 . 1 1 25 25 GLU CB C 25 28.636 28.636 29.077 -0.441 25850 1810 1 4 . 1 1 25 25 GLU H H 25 9.067 9.067 8.224 0.843 25850 1811 1 4 . 1 1 26 26 LEU HA H 26 4.222 4.222 4.101 0.121 25850 1812 1 4 . 1 1 26 26 LEU C C 26 180.590 180.590 179.328 1.262 25850 1813 1 4 . 1 1 26 26 LEU CA C 26 56.882 56.882 57.616 -0.734 25850 1814 1 4 . 1 1 26 26 LEU CB C 26 41.231 41.231 41.675 -0.444 25850 1815 1 4 . 1 1 26 26 LEU H H 26 7.165 7.165 7.351 -0.186 25850 1816 1 4 . 1 1 27 27 MET N N 27 121.053 121.053 117.937 3.116 25850 1817 1 4 . 1 1 27 27 MET HA H 27 3.932 3.932 4.189 -0.257 25850 1818 1 4 . 1 1 27 27 MET CA C 27 59.980 59.980 59.357 0.623 25850 1819 1 4 . 1 1 27 27 MET CB C 27 34.537 34.537 32.008 2.529 25850 1820 1 4 . 1 1 27 27 MET H H 27 8.203 8.203 7.466 0.737 25850 1821 1 4 . 1 1 28 28 GLY N N 28 106.038 106.038 107.217 -1.179 25850 1822 1 4 . 1 1 28 28 GLY C C 28 174.900 174.900 175.666 -0.766 25850 1823 1 4 . 1 1 28 28 GLY CA C 28 47.672 47.672 46.532 1.140 25850 1824 1 4 . 1 1 28 28 GLY H H 28 8.527 8.527 8.366 0.161 25850 1825 1 4 . 1 1 29 29 ARG N N 29 120.201 120.201 121.935 -1.734 25850 1826 1 4 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.198 -0.003 25850 1827 1 4 . 1 1 29 29 ARG C C 29 178.065 178.065 178.533 -0.468 25850 1828 1 4 . 1 1 29 29 ARG CA C 29 59.974 59.974 59.467 0.507 25850 1829 1 4 . 1 1 29 29 ARG CB C 29 30.416 30.416 30.148 0.269 25850 1830 1 4 . 1 1 29 29 ARG H H 29 8.224 8.224 8.168 0.056 25850 1831 1 4 . 1 1 30 30 ALA N N 30 121.394 121.394 122.774 -1.380 25850 1832 1 4 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.138 0.059 25850 1833 1 4 . 1 1 30 30 ALA C C 30 179.433 179.433 179.778 -0.345 25850 1834 1 4 . 1 1 30 30 ALA CA C 30 55.838 55.838 55.133 0.705 25850 1835 1 4 . 1 1 30 30 ALA CB C 30 18.269 18.269 18.372 -0.103 25850 1836 1 4 . 1 1 30 30 ALA H H 30 7.876 7.876 7.757 0.119 25850 1837 1 4 . 1 1 31 31 LEU N N 31 116.122 116.122 118.526 -2.404 25850 1838 1 4 . 1 1 31 31 LEU HA H 31 4.003 4.003 3.923 0.080 25850 1839 1 4 . 1 1 31 31 LEU C C 31 178.416 178.416 178.954 -0.538 25850 1840 1 4 . 1 1 31 31 LEU CA C 31 57.921 57.921 57.694 0.227 25850 1841 1 4 . 1 1 31 31 LEU CB C 31 42.463 42.463 41.861 0.602 25850 1842 1 4 . 1 1 31 31 LEU H H 31 8.084 8.084 7.966 0.118 25850 1843 1 4 . 1 1 32 32 TYR N N 32 119.225 119.225 120.569 -1.344 25850 1844 1 4 . 1 1 32 32 TYR HA H 32 4.063 4.063 4.318 -0.255 25850 1845 1 4 . 1 1 32 32 TYR C C 32 176.310 176.310 177.644 -1.334 25850 1846 1 4 . 1 1 32 32 TYR CA C 32 61.992 61.992 61.998 -0.006 25850 1847 1 4 . 1 1 32 32 TYR CB C 32 38.659 38.659 38.607 0.052 25850 1848 1 4 . 1 1 32 32 TYR H H 32 8.562 8.562 8.379 0.183 25850 1849 1 4 . 1 1 33 33 ASN N N 33 116.880 116.880 117.183 -0.303 25850 1850 1 4 . 1 1 33 33 ASN HA H 33 4.068 4.068 4.123 -0.055 25850 1851 1 4 . 1 1 33 33 ASN C C 33 178.353 178.353 177.619 0.734 25850 1852 1 4 . 1 1 33 33 ASN CA C 33 55.858 55.858 55.554 0.304 25850 1853 1 4 . 1 1 33 33 ASN CB C 33 35.968 35.968 37.315 -1.347 25850 1854 1 4 . 1 1 33 33 ASN H H 33 8.213 8.213 7.948 0.265 25850 1855 1 4 . 1 1 34 34 ILE N N 34 121.401 121.401 120.496 0.905 25850 1856 1 4 . 1 1 34 34 ILE HA H 34 3.300 3.300 3.674 -0.374 25850 1857 1 4 . 1 1 34 34 ILE C C 34 177.867 177.867 177.726 0.141 25850 1858 1 4 . 1 1 34 34 ILE CA C 34 66.528 66.528 65.433 1.095 25850 1859 1 4 . 1 1 34 34 ILE CB C 34 37.839 37.839 37.180 0.659 25850 1860 1 4 . 1 1 34 34 ILE H H 34 8.087 8.087 8.167 -0.080 25850 1861 1 4 . 1 1 35 35 GLY N N 35 107.275 107.275 107.826 -0.551 25850 1862 1 4 . 1 1 35 35 GLY C C 35 175.048 175.048 175.714 -0.666 25850 1863 1 4 . 1 1 35 35 GLY CA C 35 48.547 48.547 46.736 1.811 25850 1864 1 4 . 1 1 35 35 GLY H H 35 7.922 7.922 7.807 0.115 25850 1865 1 4 . 1 1 36 36 LEU N N 36 120.414 120.414 121.645 -1.231 25850 1866 1 4 . 1 1 36 36 LEU HA H 36 4.048 4.048 3.957 0.091 25850 1867 1 4 . 1 1 36 36 LEU C C 36 180.804 180.804 179.037 1.767 25850 1868 1 4 . 1 1 36 36 LEU CA C 36 58.063 58.063 57.743 0.320 25850 1869 1 4 . 1 1 36 36 LEU CB C 36 41.701 41.701 41.522 0.179 25850 1870 1 4 . 1 1 36 36 LEU H H 36 8.177 8.177 7.620 0.557 25850 1871 1 4 . 1 1 37 37 GLU N N 37 120.083 120.083 118.764 1.319 25850 1872 1 4 . 1 1 37 37 GLU HA H 37 4.075 4.075 4.073 0.002 25850 1873 1 4 . 1 1 37 37 GLU C C 37 179.517 179.517 179.352 0.165 25850 1874 1 4 . 1 1 37 37 GLU CA C 37 58.603 58.603 58.971 -0.368 25850 1875 1 4 . 1 1 37 37 GLU CB C 37 29.799 29.799 28.942 0.857 25850 1876 1 4 . 1 1 37 37 GLU H H 37 7.750 7.750 7.730 0.020 25850 1877 1 4 . 1 1 38 38 LYS N N 38 118.263 118.263 118.571 -0.308 25850 1878 1 4 . 1 1 38 38 LYS HA H 38 3.862 3.862 4.034 -0.172 25850 1879 1 4 . 1 1 38 38 LYS C C 38 179.253 179.253 178.751 0.502 25850 1880 1 4 . 1 1 38 38 LYS CA C 38 57.937 57.937 58.339 -0.402 25850 1881 1 4 . 1 1 38 38 LYS CB C 38 30.769 30.769 31.901 -1.131 25850 1882 1 4 . 1 1 38 38 LYS H H 38 8.550 8.550 8.056 0.494 25850 1883 1 4 . 1 1 39 39 ASN N N 39 118.329 118.329 117.542 0.787 25850 1884 1 4 . 1 1 39 39 ASN HA H 39 4.193 4.193 4.480 -0.287 25850 1885 1 4 . 1 1 39 39 ASN C C 39 179.428 179.428 177.531 1.897 25850 1886 1 4 . 1 1 39 39 ASN CA C 39 56.177 56.177 55.750 0.427 25850 1887 1 4 . 1 1 39 39 ASN CB C 39 38.478 38.478 38.486 -0.007 25850 1888 1 4 . 1 1 39 39 ASN H H 39 8.294 8.294 7.890 0.404 25850 1889 1 4 . 1 1 40 40 LYS N N 40 121.176 121.176 119.128 2.048 25850 1890 1 4 . 1 1 40 40 LYS HA H 40 4.047 4.047 4.083 -0.036 25850 1891 1 4 . 1 1 40 40 LYS C C 40 178.229 178.229 178.652 -0.423 25850 1892 1 4 . 1 1 40 40 LYS CA C 40 59.471 59.471 58.480 0.991 25850 1893 1 4 . 1 1 40 40 LYS CB C 40 32.427 32.427 32.377 0.050 25850 1894 1 4 . 1 1 40 40 LYS H H 40 7.912 7.912 7.616 0.296 25850 1895 1 4 . 1 1 41 41 MET N N 41 114.548 114.548 116.128 -1.580 25850 1896 1 4 . 1 1 41 41 MET HA H 41 4.512 4.512 4.346 0.166 25850 1897 1 4 . 1 1 41 41 MET C C 41 175.915 175.915 177.063 -1.148 25850 1898 1 4 . 1 1 41 41 MET CA C 41 55.529 55.529 56.581 -1.052 25850 1899 1 4 . 1 1 41 41 MET CB C 41 34.022 34.022 33.104 0.918 25850 1900 1 4 . 1 1 41 41 MET H H 41 7.389 7.389 7.787 -0.398 25850 1901 1 4 . 1 1 42 42 GLY N N 42 107.409 107.409 106.302 1.107 25850 1902 1 4 . 1 1 42 42 GLY C C 42 175.041 175.041 174.916 0.125 25850 1903 1 4 . 1 1 42 42 GLY CA C 42 45.335 45.335 45.214 0.121 25850 1904 1 4 . 1 1 42 42 GLY H H 42 7.929 7.929 7.547 0.382 25850 1905 1 4 . 1 1 43 43 LYS N N 43 124.326 124.326 122.647 1.679 25850 1906 1 4 . 1 1 43 43 LYS HA H 43 4.684 4.684 4.443 0.241 25850 1907 1 4 . 1 1 43 43 LYS C C 43 176.514 176.514 176.357 0.157 25850 1908 1 4 . 1 1 43 43 LYS CA C 43 53.791 53.791 54.576 -0.785 25850 1909 1 4 . 1 1 43 43 LYS CB C 43 30.065 30.065 30.456 -0.391 25850 1910 1 4 . 1 1 43 43 LYS H H 43 8.040 8.040 8.076 -0.036 25850 1911 1 4 . 1 1 44 44 VAL N N 44 121.020 121.020 121.893 -0.873 25850 1912 1 4 . 1 1 44 44 VAL HA H 44 3.580 3.580 3.589 -0.009 25850 1913 1 4 . 1 1 44 44 VAL C C 44 177.096 177.096 177.235 -0.139 25850 1914 1 4 . 1 1 44 44 VAL CA C 44 66.166 66.166 66.558 -0.392 25850 1915 1 4 . 1 1 44 44 VAL CB C 44 31.869 31.869 31.778 0.091 25850 1916 1 4 . 1 1 44 44 VAL H H 44 7.439 7.439 7.744 -0.305 25850 1917 1 4 . 1 1 45 45 LYS N N 45 119.164 119.164 118.941 0.223 25850 1918 1 4 . 1 1 45 45 LYS HA H 45 3.950 3.950 4.004 -0.054 25850 1919 1 4 . 1 1 45 45 LYS C C 45 179.726 179.726 178.708 1.018 25850 1920 1 4 . 1 1 45 45 LYS CA C 45 60.153 60.153 59.196 0.957 25850 1921 1 4 . 1 1 45 45 LYS CB C 45 31.446 31.446 31.474 -0.028 25850 1922 1 4 . 1 1 45 45 LYS H H 45 8.427 8.427 8.702 -0.275 25850 1923 1 4 . 1 1 46 46 GLU N N 46 118.446 118.446 119.866 -1.420 25850 1924 1 4 . 1 1 46 46 GLU HA H 46 4.092 4.092 4.070 0.022 25850 1925 1 4 . 1 1 46 46 GLU C C 46 178.490 178.490 178.410 0.080 25850 1926 1 4 . 1 1 46 46 GLU CA C 46 59.327 59.327 58.884 0.443 25850 1927 1 4 . 1 1 46 46 GLU CB C 46 29.764 29.764 29.177 0.588 25850 1928 1 4 . 1 1 46 46 GLU H H 46 7.867 7.867 8.263 -0.396 25850 1929 1 4 . 1 1 47 47 ALA N N 47 122.279 122.279 123.310 -1.031 25850 1930 1 4 . 1 1 47 47 ALA HA H 47 3.513 3.513 3.838 -0.325 25850 1931 1 4 . 1 1 47 47 ALA C C 47 178.065 178.065 179.091 -1.026 25850 1932 1 4 . 1 1 47 47 ALA CA C 47 55.905 55.905 55.006 0.899 25850 1933 1 4 . 1 1 47 47 ALA CB C 47 18.256 18.256 18.151 0.106 25850 1934 1 4 . 1 1 47 47 ALA H H 47 8.315 8.315 7.756 0.559 25850 1935 1 4 . 1 1 48 48 ILE N N 48 115.863 115.863 118.420 -2.557 25850 1936 1 4 . 1 1 48 48 ILE HA H 48 3.401 3.401 3.568 -0.167 25850 1937 1 4 . 1 1 48 48 ILE C C 48 176.808 176.808 177.807 -0.999 25850 1938 1 4 . 1 1 48 48 ILE CA C 48 66.282 66.282 65.569 0.713 25850 1939 1 4 . 1 1 48 48 ILE CB C 48 38.375 38.375 37.576 0.799 25850 1940 1 4 . 1 1 48 48 ILE H H 48 8.077 8.077 7.731 0.346 25850 1941 1 4 . 1 1 49 49 GLU N N 49 116.853 116.853 119.825 -2.972 25850 1942 1 4 . 1 1 49 49 GLU HA H 49 3.920 3.920 3.887 0.033 25850 1943 1 4 . 1 1 49 49 GLU C C 49 179.914 179.914 179.266 0.648 25850 1944 1 4 . 1 1 49 49 GLU CA C 49 59.535 59.535 59.660 -0.125 25850 1945 1 4 . 1 1 49 49 GLU CB C 49 28.995 28.995 29.119 -0.124 25850 1946 1 4 . 1 1 49 49 GLU H H 49 7.175 7.175 7.592 -0.417 25850 1947 1 4 . 1 1 50 50 TYR N N 50 117.578 117.578 118.393 -0.815 25850 1948 1 4 . 1 1 50 50 TYR HA H 50 3.774 3.774 4.214 -0.440 25850 1949 1 4 . 1 1 50 50 TYR C C 50 178.462 178.462 178.600 -0.138 25850 1950 1 4 . 1 1 50 50 TYR CA C 50 64.368 64.368 61.223 3.145 25850 1951 1 4 . 1 1 50 50 TYR CB C 50 37.345 37.345 38.173 -0.828 25850 1952 1 4 . 1 1 50 50 TYR H H 50 7.676 7.676 7.765 -0.089 25850 1953 1 4 . 1 1 51 51 PHE N N 51 119.480 119.480 118.481 0.999 25850 1954 1 4 . 1 1 51 51 PHE HA H 51 4.711 4.711 4.437 0.274 25850 1955 1 4 . 1 1 51 51 PHE C C 51 178.720 178.720 178.002 0.718 25850 1956 1 4 . 1 1 51 51 PHE CA C 51 58.958 58.958 60.181 -1.223 25850 1957 1 4 . 1 1 51 51 PHE CB C 51 37.771 37.771 38.086 -0.315 25850 1958 1 4 . 1 1 51 51 PHE H H 51 9.013 9.013 7.964 1.049 25850 1959 1 4 . 1 1 52 52 LEU N N 52 120.365 120.365 120.656 -0.291 25850 1960 1 4 . 1 1 52 52 LEU HA H 52 4.093 4.093 3.979 0.114 25850 1961 1 4 . 1 1 52 52 LEU C C 52 180.229 180.229 178.990 1.239 25850 1962 1 4 . 1 1 52 52 LEU CA C 52 58.252 58.252 58.203 0.049 25850 1963 1 4 . 1 1 52 52 LEU CB C 52 42.160 42.160 41.469 0.691 25850 1964 1 4 . 1 1 52 52 LEU H H 52 8.906 8.906 8.612 0.294 25850 1965 1 4 . 1 1 53 53 ARG N N 53 119.294 119.294 119.057 0.237 25850 1966 1 4 . 1 1 53 53 ARG HA H 53 3.929 3.929 3.902 0.027 25850 1967 1 4 . 1 1 53 53 ARG C C 53 179.087 179.087 178.507 0.580 25850 1968 1 4 . 1 1 53 53 ARG CA C 53 59.580 59.580 59.760 -0.180 25850 1969 1 4 . 1 1 53 53 ARG CB C 53 31.418 31.418 29.949 1.469 25850 1970 1 4 . 1 1 53 53 ARG H H 53 7.846 7.846 8.054 -0.208 25850 1971 1 4 . 1 1 54 54 ALA N N 54 121.351 121.351 121.400 -0.049 25850 1972 1 4 . 1 1 54 54 ALA HA H 54 3.693 3.693 3.912 -0.219 25850 1973 1 4 . 1 1 54 54 ALA C C 54 177.631 177.631 179.061 -1.430 25850 1974 1 4 . 1 1 54 54 ALA CA C 54 55.115 55.115 55.312 -0.197 25850 1975 1 4 . 1 1 54 54 ALA CB C 54 17.612 17.612 18.361 -0.749 25850 1976 1 4 . 1 1 54 54 ALA H H 54 8.892 8.892 8.152 0.740 25850 1977 1 4 . 1 1 55 55 LYS N N 55 117.135 117.135 118.762 -1.627 25850 1978 1 4 . 1 1 55 55 LYS HA H 55 3.835 3.835 4.344 -0.509 25850 1979 1 4 . 1 1 55 55 LYS C C 55 176.970 176.970 178.575 -1.605 25850 1980 1 4 . 1 1 55 55 LYS CA C 55 60.725 60.725 59.586 1.139 25850 1981 1 4 . 1 1 55 55 LYS CB C 55 32.602 32.602 32.433 0.169 25850 1982 1 4 . 1 1 55 55 LYS H H 55 8.626 8.626 7.997 0.629 25850 1983 1 4 . 1 1 56 56 LYS N N 56 116.695 116.695 119.859 -3.164 25850 1984 1 4 . 1 1 56 56 LYS HA H 56 4.171 4.171 4.224 -0.053 25850 1985 1 4 . 1 1 56 56 LYS C C 56 180.037 180.037 179.226 0.811 25850 1986 1 4 . 1 1 56 56 LYS CA C 56 59.606 59.606 59.443 0.163 25850 1987 1 4 . 1 1 56 56 LYS CB C 56 32.349 32.349 32.271 0.078 25850 1988 1 4 . 1 1 56 56 LYS H H 56 7.652 7.652 7.922 -0.270 25850 1989 1 4 . 1 1 57 57 VAL N N 57 120.809 120.809 118.592 2.217 25850 1990 1 4 . 1 1 57 57 VAL HA H 57 3.753 3.753 3.684 0.069 25850 1991 1 4 . 1 1 57 57 VAL C C 57 178.174 178.174 177.889 0.285 25850 1992 1 4 . 1 1 57 57 VAL CA C 57 66.226 66.226 66.155 0.071 25850 1993 1 4 . 1 1 57 57 VAL CB C 57 31.424 31.424 31.362 0.062 25850 1994 1 4 . 1 1 57 57 VAL H H 57 7.583 7.583 7.684 -0.101 25850 1995 1 4 . 1 1 58 58 PHE N N 58 118.864 118.864 119.729 -0.865 25850 1996 1 4 . 1 1 58 58 PHE HA H 58 4.521 4.521 4.151 0.370 25850 1997 1 4 . 1 1 58 58 PHE C C 58 179.187 179.187 177.587 1.600 25850 1998 1 4 . 1 1 58 58 PHE CA C 58 59.849 59.849 61.419 -1.570 25850 1999 1 4 . 1 1 58 58 PHE CB C 58 37.753 37.753 37.888 -0.135 25850 2000 1 4 . 1 1 58 58 PHE H H 58 8.871 8.871 7.929 0.942 25850 2001 1 4 . 1 1 59 59 ASP N N 59 119.714 119.714 119.456 0.258 25850 2002 1 4 . 1 1 59 59 ASP HA H 59 4.444 4.444 4.442 0.002 25850 2003 1 4 . 1 1 59 59 ASP C C 59 180.066 180.066 178.510 1.556 25850 2004 1 4 . 1 1 59 59 ASP CA C 59 57.201 57.201 57.347 -0.146 25850 2005 1 4 . 1 1 59 59 ASP CB C 59 39.713 39.713 40.308 -0.595 25850 2006 1 4 . 1 1 59 59 ASP H H 59 9.157 9.157 8.448 0.709 25850 2007 1 4 . 1 1 60 60 ALA N N 60 124.290 124.290 121.593 2.697 25850 2008 1 4 . 1 1 60 60 ALA HA H 60 4.087 4.087 4.035 0.052 25850 2009 1 4 . 1 1 60 60 ALA C C 60 179.389 179.389 178.701 0.688 25850 2010 1 4 . 1 1 60 60 ALA CA C 60 54.760 54.760 54.101 0.659 25850 2011 1 4 . 1 1 60 60 ALA CB C 60 18.025 18.025 18.779 -0.753 25850 2012 1 4 . 1 1 60 60 ALA H H 60 7.742 7.742 7.446 0.296 25850 2013 1 4 . 1 1 61 61 GLU N N 61 114.493 114.493 115.705 -1.212 25850 2014 1 4 . 1 1 61 61 GLU HA H 61 4.259 4.259 4.100 0.159 25850 2015 1 4 . 1 1 61 61 GLU C C 61 175.970 175.970 175.829 0.141 25850 2016 1 4 . 1 1 61 61 GLU CA C 61 55.049 55.049 56.237 -1.188 25850 2017 1 4 . 1 1 61 61 GLU CB C 61 29.724 29.724 29.789 -0.065 25850 2018 1 4 . 1 1 61 61 GLU H H 61 7.908 7.908 7.758 0.150 25850 2019 1 4 . 1 1 62 62 HIS N N 62 115.130 115.130 112.397 2.733 25850 2020 1 4 . 1 1 62 62 HIS HA H 62 4.264 4.264 4.223 0.041 25850 2021 1 4 . 1 1 62 62 HIS C C 62 173.916 173.916 174.064 -0.148 25850 2022 1 4 . 1 1 62 62 HIS CA C 62 56.531 56.531 56.960 -0.429 25850 2023 1 4 . 1 1 62 62 HIS CB C 62 26.039 26.039 27.077 -1.038 25850 2024 1 4 . 1 1 62 62 HIS H H 62 7.830 7.830 7.302 0.528 25850 2025 1 4 . 1 1 63 63 ASP N N 63 118.507 118.507 119.523 -1.016 25850 2026 1 4 . 1 1 63 63 ASP HA H 63 4.854 4.854 4.833 0.021 25850 2027 1 4 . 1 1 63 63 ASP C C 63 176.143 176.143 176.335 -0.192 25850 2028 1 4 . 1 1 63 63 ASP CA C 63 52.127 52.127 53.422 -1.295 25850 2029 1 4 . 1 1 63 63 ASP CB C 63 40.068 40.068 40.993 -0.925 25850 2030 1 4 . 1 1 63 63 ASP H H 63 8.521 8.521 8.111 0.410 25850 2031 1 4 . 1 1 64 64 THR N N 64 119.037 119.037 120.725 -1.688 25850 2032 1 4 . 1 1 64 64 THR HA H 64 3.869 3.869 3.946 -0.077 25850 2033 1 4 . 1 1 64 64 THR C C 64 176.814 176.814 175.525 1.289 25850 2034 1 4 . 1 1 64 64 THR CA C 64 65.198 65.198 66.144 -0.947 25850 2035 1 4 . 1 1 64 64 THR CB C 64 68.315 68.315 68.886 -0.571 25850 2036 1 4 . 1 1 64 64 THR H H 64 7.907 7.907 8.096 -0.189 25850 2037 1 4 . 1 1 65 65 ASP N N 65 122.892 122.892 120.966 1.926 25850 2038 1 4 . 1 1 65 65 ASP HA H 65 4.287 4.287 4.282 0.005 25850 2039 1 4 . 1 1 65 65 ASP C C 65 178.326 178.326 178.338 -0.012 25850 2040 1 4 . 1 1 65 65 ASP CA C 65 57.350 57.350 57.952 -0.602 25850 2041 1 4 . 1 1 65 65 ASP CB C 65 41.121 41.121 40.078 1.043 25850 2042 1 4 . 1 1 65 65 ASP H H 65 8.375 8.375 8.362 0.013 25850 2043 1 4 . 1 1 66 66 GLY N N 66 109.334 109.334 106.812 2.522 25850 2044 1 4 . 1 1 66 66 GLY C C 66 175.861 175.861 175.005 0.856 25850 2045 1 4 . 1 1 66 66 GLY CA C 66 46.136 46.136 45.867 0.269 25850 2046 1 4 . 1 1 66 66 GLY H H 66 8.234 8.234 7.941 0.293 25850 2047 1 4 . 1 1 67 67 ALA N N 67 122.888 122.888 124.843 -1.955 25850 2048 1 4 . 1 1 67 67 ALA HA H 67 3.892 3.892 4.060 -0.168 25850 2049 1 4 . 1 1 67 67 ALA C C 67 179.384 179.384 179.559 -0.175 25850 2050 1 4 . 1 1 67 67 ALA CA C 67 55.960 55.960 54.712 1.248 25850 2051 1 4 . 1 1 67 67 ALA CB C 67 18.611 18.611 18.571 0.040 25850 2052 1 4 . 1 1 67 67 ALA H H 67 7.949 7.949 7.477 0.472 25850 2053 1 4 . 1 1 68 68 ARG N N 68 118.221 118.221 117.562 0.659 25850 2054 1 4 . 1 1 68 68 ARG HA H 68 3.993 3.993 4.020 -0.027 25850 2055 1 4 . 1 1 68 68 ARG C C 68 179.355 179.355 178.587 0.768 25850 2056 1 4 . 1 1 68 68 ARG CA C 68 59.234 59.234 59.080 0.154 25850 2057 1 4 . 1 1 68 68 ARG CB C 68 29.799 29.799 30.104 -0.305 25850 2058 1 4 . 1 1 68 68 ARG H H 68 7.917 7.917 7.974 -0.057 25850 2059 1 4 . 1 1 69 69 ARG N N 69 120.551 120.551 120.374 0.177 25850 2060 1 4 . 1 1 69 69 ARG HA H 69 3.923 3.923 3.928 -0.005 25850 2061 1 4 . 1 1 69 69 ARG C C 69 179.120 179.120 177.928 1.192 25850 2062 1 4 . 1 1 69 69 ARG CA C 69 59.310 59.310 59.257 0.053 25850 2063 1 4 . 1 1 69 69 ARG CB C 69 29.189 29.189 29.869 -0.680 25850 2064 1 4 . 1 1 69 69 ARG H H 69 7.749 7.749 7.729 0.020 25850 2065 1 4 . 1 1 70 70 ALA N N 70 121.098 121.098 120.492 0.606 25850 2066 1 4 . 1 1 70 70 ALA HA H 70 4.016 4.016 4.241 -0.225 25850 2067 1 4 . 1 1 70 70 ALA C C 70 178.438 178.438 179.491 -1.053 25850 2068 1 4 . 1 1 70 70 ALA CA C 70 55.536 55.536 54.841 0.695 25850 2069 1 4 . 1 1 70 70 ALA CB C 70 17.216 17.216 18.334 -1.119 25850 2070 1 4 . 1 1 70 70 ALA H H 70 8.245 8.245 8.041 0.204 25850 2071 1 4 . 1 1 71 71 ALA N N 71 119.333 119.333 120.527 -1.194 25850 2072 1 4 . 1 1 71 71 ALA HA H 71 4.047 4.047 4.139 -0.092 25850 2073 1 4 . 1 1 71 71 ALA C C 71 180.219 180.219 179.363 0.856 25850 2074 1 4 . 1 1 71 71 ALA CA C 71 55.083 55.083 54.786 0.297 25850 2075 1 4 . 1 1 71 71 ALA CB C 71 18.198 18.198 18.296 -0.098 25850 2076 1 4 . 1 1 71 71 ALA H H 71 8.565 8.565 7.745 0.820 25850 2077 1 4 . 1 1 72 72 LYS N N 72 121.188 121.188 119.644 1.544 25850 2078 1 4 . 1 1 72 72 LYS HA H 72 4.107 4.107 4.050 0.057 25850 2079 1 4 . 1 1 72 72 LYS C C 72 179.155 179.155 178.693 0.462 25850 2080 1 4 . 1 1 72 72 LYS CA C 72 59.271 59.271 59.282 -0.011 25850 2081 1 4 . 1 1 72 72 LYS CB C 72 31.786 31.786 32.418 -0.632 25850 2082 1 4 . 1 1 72 72 LYS H H 72 8.108 8.108 7.912 0.196 25850 2083 1 4 . 1 1 73 73 SER N N 73 116.976 116.976 115.782 1.194 25850 2084 1 4 . 1 1 73 73 SER HA H 73 3.957 3.957 4.029 -0.072 25850 2085 1 4 . 1 1 73 73 SER C C 73 176.394 176.394 176.393 0.001 25850 2086 1 4 . 1 1 73 73 SER CA C 73 62.753 62.753 61.110 1.643 25850 2087 1 4 . 1 1 73 73 SER CB C 73 60.718 60.718 62.503 -1.785 25850 2088 1 4 . 1 1 73 73 SER H H 73 8.057 8.057 7.847 0.210 25850 2089 1 4 . 1 1 74 74 LEU N N 74 123.741 123.741 122.345 1.396 25850 2090 1 4 . 1 1 74 74 LEU HA H 74 3.831 3.831 3.936 -0.105 25850 2091 1 4 . 1 1 74 74 LEU C C 74 176.704 176.704 178.402 -1.698 25850 2092 1 4 . 1 1 74 74 LEU CA C 74 58.545 58.545 57.932 0.613 25850 2093 1 4 . 1 1 74 74 LEU CB C 74 41.862 41.862 41.865 -0.004 25850 2094 1 4 . 1 1 74 74 LEU H H 74 8.341 8.341 7.870 0.471 25850 2095 1 4 . 1 1 75 75 SER N N 75 113.508 113.508 114.217 -0.709 25850 2096 1 4 . 1 1 75 75 SER HA H 75 4.277 4.277 4.271 0.006 25850 2097 1 4 . 1 1 75 75 SER C C 75 177.668 177.668 176.819 0.849 25850 2098 1 4 . 1 1 75 75 SER CA C 75 61.926 61.926 61.948 -0.022 25850 2099 1 4 . 1 1 75 75 SER CB C 75 62.702 62.702 62.881 -0.179 25850 2100 1 4 . 1 1 75 75 SER H H 75 8.055 8.055 7.830 0.225 25850 2101 1 4 . 1 1 76 76 GLU N N 76 119.999 119.999 120.672 -0.673 25850 2102 1 4 . 1 1 76 76 GLU HA H 76 4.041 4.041 4.061 -0.020 25850 2103 1 4 . 1 1 76 76 GLU C C 76 178.836 178.836 178.672 0.164 25850 2104 1 4 . 1 1 76 76 GLU CA C 76 58.928 58.928 59.158 -0.230 25850 2105 1 4 . 1 1 76 76 GLU CB C 76 29.684 29.684 29.643 0.041 25850 2106 1 4 . 1 1 76 76 GLU H H 76 7.874 7.874 7.687 0.187 25850 2107 1 4 . 1 1 77 77 ALA N N 77 123.551 123.551 121.311 2.240 25850 2108 1 4 . 1 1 77 77 ALA HA H 77 4.242 4.242 4.156 0.086 25850 2109 1 4 . 1 1 77 77 ALA C C 77 180.005 180.005 179.739 0.266 25850 2110 1 4 . 1 1 77 77 ALA CA C 77 55.031 55.031 54.685 0.346 25850 2111 1 4 . 1 1 77 77 ALA CB C 77 18.237 18.237 18.461 -0.224 25850 2112 1 4 . 1 1 77 77 ALA H H 77 8.043 8.043 7.401 0.642 25850 2113 1 4 . 1 1 78 78 TYR N N 78 116.371 116.371 118.189 -1.818 25850 2114 1 4 . 1 1 78 78 TYR HA H 78 4.418 4.418 4.200 0.218 25850 2115 1 4 . 1 1 78 78 TYR C C 78 178.901 178.901 178.564 0.337 25850 2116 1 4 . 1 1 78 78 TYR CA C 78 60.302 60.302 61.146 -0.844 25850 2117 1 4 . 1 1 78 78 TYR CB C 78 37.416 37.416 37.676 -0.260 25850 2118 1 4 . 1 1 78 78 TYR H H 78 8.699 8.699 8.375 0.324 25850 2119 1 4 . 1 1 79 79 GLN N N 79 116.649 116.649 118.628 -1.979 25850 2120 1 4 . 1 1 79 79 GLN HA H 79 4.212 4.212 4.068 0.144 25850 2121 1 4 . 1 1 79 79 GLN C C 79 177.778 177.778 178.417 -0.639 25850 2122 1 4 . 1 1 79 79 GLN CA C 79 57.922 57.922 59.071 -1.149 25850 2123 1 4 . 1 1 79 79 GLN CB C 79 28.659 28.659 28.366 0.293 25850 2124 1 4 . 1 1 79 79 GLN H H 79 7.667 7.667 7.983 -0.316 25850 2125 1 4 . 1 1 80 80 LYS N N 80 118.855 118.855 117.761 1.094 25850 2126 1 4 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.181 0.112 25850 2127 1 4 . 1 1 80 80 LYS C C 80 178.038 178.038 178.010 0.028 25850 2128 1 4 . 1 1 80 80 LYS CA C 80 57.474 57.474 58.385 -0.911 25850 2129 1 4 . 1 1 80 80 LYS CB C 80 32.816 32.816 32.499 0.317 25850 2130 1 4 . 1 1 80 80 LYS H H 80 7.766 7.766 7.524 0.242 25850 2131 1 4 . 1 1 81 81 VAL N N 81 117.863 117.863 118.233 -0.370 25850 2132 1 4 . 1 1 81 81 VAL HA H 81 4.076 4.076 3.974 0.102 25850 2133 1 4 . 1 1 81 81 VAL C C 81 176.805 176.805 176.998 -0.193 25850 2134 1 4 . 1 1 81 81 VAL CA C 81 63.409 63.409 64.524 -1.115 25850 2135 1 4 . 1 1 81 81 VAL CB C 81 32.423 32.423 31.997 0.426 25850 2136 1 4 . 1 1 81 81 VAL H H 81 7.821 7.821 7.605 0.216 25850 2137 1 4 . 1 1 82 82 GLU N N 82 122.552 122.552 120.255 2.297 25850 2138 1 4 . 1 1 82 82 GLU HA H 82 4.277 4.277 4.328 -0.051 25850 2139 1 4 . 1 1 82 82 GLU C C 82 177.559 177.559 177.815 -0.256 25850 2140 1 4 . 1 1 82 82 GLU CA C 82 57.300 57.300 56.639 0.661 25850 2141 1 4 . 1 1 82 82 GLU CB C 82 29.927 29.927 31.215 -1.288 25850 2142 1 4 . 1 1 82 82 GLU H H 82 8.329 8.329 7.692 0.637 25850 2143 1 4 . 1 1 83 83 GLY N N 83 109.040 109.040 112.593 -3.553 25850 2144 1 4 . 1 1 83 83 GLY C C 83 174.590 174.590 174.904 -0.314 25850 2145 1 4 . 1 1 83 83 GLY CA C 83 45.530 45.530 46.732 -1.202 25850 2146 1 4 . 1 1 83 83 GLY H H 83 8.309 8.309 8.692 -0.383 25850 2147 1 4 . 1 1 84 84 SER N N 84 115.258 115.258 113.788 1.470 25850 2148 1 4 . 1 1 84 84 SER HA H 84 4.495 4.495 4.620 -0.125 25850 2149 1 4 . 1 1 84 84 SER C C 84 175.217 175.217 174.676 0.541 25850 2150 1 4 . 1 1 84 84 SER CA C 84 58.580 58.580 58.782 -0.202 25850 2151 1 4 . 1 1 84 84 SER CB C 84 63.827 63.827 65.984 -2.157 25850 2152 1 4 . 1 1 84 84 SER H H 84 8.180 8.180 7.848 0.332 25850 2153 1 4 . 1 1 85 85 GLY N N 85 110.681 110.681 112.036 -1.355 25850 2154 1 4 . 1 1 85 85 GLY C C 85 174.063 174.063 173.551 0.512 25850 2155 1 4 . 1 1 85 85 GLY CA C 85 45.395 45.395 46.368 -0.973 25850 2156 1 4 . 1 1 85 85 GLY H H 85 8.472 8.472 8.288 0.184 25850 2157 1 4 . 1 1 86 86 ASP N N 86 120.537 120.537 120.954 -0.417 25850 2158 1 4 . 1 1 86 86 ASP HA H 86 4.597 4.597 4.684 -0.087 25850 2159 1 4 . 1 1 86 86 ASP C C 86 176.761 176.761 174.541 2.220 25850 2160 1 4 . 1 1 86 86 ASP CA C 86 54.451 54.451 53.831 0.620 25850 2161 1 4 . 1 1 86 86 ASP CB C 86 41.069 41.069 42.590 -1.521 25850 2162 1 4 . 1 1 86 86 ASP H H 86 8.272 8.272 8.238 0.034 25850 2163 1 4 . 1 1 87 87 LYS N N 87 121.608 121.608 123.723 -2.115 25850 2164 1 4 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.612 -0.366 25850 2165 1 4 . 1 1 87 87 LYS C C 87 177.342 177.342 175.625 1.717 25850 2166 1 4 . 1 1 87 87 LYS CA C 87 56.545 56.545 55.943 0.602 25850 2167 1 4 . 1 1 87 87 LYS CB C 87 32.302 32.302 32.969 -0.667 25850 2168 1 4 . 1 1 87 87 LYS H H 87 8.344 8.344 8.386 -0.042 25850 2169 1 4 . 1 1 88 88 GLY N N 88 108.711 108.711 112.376 -3.665 25850 2170 1 4 . 1 1 88 88 GLY C C 88 174.216 174.216 173.517 0.699 25850 2171 1 4 . 1 1 88 88 GLY CA C 88 45.339 45.339 45.777 -0.438 25850 2172 1 4 . 1 1 88 88 GLY H H 88 8.449 8.449 8.564 -0.115 25850 2173 1 4 . 1 1 89 89 LYS N N 89 120.508 120.508 122.778 -2.270 25850 2174 1 4 . 1 1 89 89 LYS HA H 89 4.266 4.266 4.223 0.043 25850 2175 1 4 . 1 1 89 89 LYS C C 89 176.464 176.464 175.426 1.038 25850 2176 1 4 . 1 1 89 89 LYS CA C 89 56.214 56.214 55.183 1.031 25850 2177 1 4 . 1 1 89 89 LYS CB C 89 32.824 32.824 32.704 0.120 25850 2178 1 4 . 1 1 89 89 LYS H H 89 7.958 7.958 8.099 -0.141 25850 2179 1 4 . 1 1 90 90 ILE N N 90 121.127 121.127 125.523 -4.396 25850 2180 1 4 . 1 1 90 90 ILE HA H 90 4.091 4.091 3.882 0.209 25850 2181 1 4 . 1 1 90 90 ILE C C 90 175.896 175.896 175.594 0.302 25850 2182 1 4 . 1 1 90 90 ILE CA C 90 61.022 61.022 60.919 0.103 25850 2183 1 4 . 1 1 90 90 ILE CB C 90 38.488 38.488 37.099 1.389 25850 2184 1 4 . 1 1 90 90 ILE H H 90 8.005 8.005 8.358 -0.353 25850 2185 1 4 . 1 1 91 91 PHE N N 91 123.843 123.843 128.611 -4.768 25850 2186 1 4 . 1 1 91 91 PHE HA H 91 4.615 4.615 4.467 0.148 25850 2187 1 4 . 1 1 91 91 PHE C C 91 175.327 175.327 176.143 -0.816 25850 2188 1 4 . 1 1 91 91 PHE CA C 91 57.565 57.565 58.016 -0.451 25850 2189 1 4 . 1 1 91 91 PHE CB C 91 39.457 39.457 39.200 0.257 25850 2190 1 4 . 1 1 91 91 PHE H H 91 8.283 8.283 8.030 0.254 25850 2191 1 4 . 1 1 92 92 GLN N N 92 122.349 122.349 123.983 -1.634 25850 2192 1 4 . 1 1 92 92 GLN HA H 92 4.296 4.296 4.336 -0.040 25850 2193 1 4 . 1 1 92 92 GLN C C 92 175.338 175.338 175.519 -0.181 25850 2194 1 4 . 1 1 92 92 GLN CA C 92 55.492 55.492 55.697 -0.205 25850 2195 1 4 . 1 1 92 92 GLN CB C 92 29.708 29.708 29.624 0.084 25850 2196 1 4 . 1 1 92 92 GLN H H 92 8.212 8.212 8.474 -0.262 25850 2197 1 4 . 1 1 93 93 LYS N N 93 123.137 123.137 122.168 0.969 25850 2198 1 4 . 1 1 93 93 LYS HA H 93 4.250 4.250 4.172 0.078 25850 2199 1 4 . 1 1 93 93 LYS C C 93 176.492 176.492 176.826 -0.334 25850 2200 1 4 . 1 1 93 93 LYS CA C 93 56.272 56.272 56.491 -0.219 25850 2201 1 4 . 1 1 93 93 LYS CB C 93 33.055 33.055 32.207 0.848 25850 2202 1 4 . 1 1 93 93 LYS H H 93 8.364 8.364 8.447 -0.083 25850 2203 1 4 . 1 1 94 94 GLU N N 94 122.671 122.671 125.249 -2.578 25850 2204 1 4 . 1 1 94 94 GLU HA H 94 4.246 4.246 4.352 -0.106 25850 2205 1 4 . 1 1 94 94 GLU C C 94 177.008 177.008 178.267 -1.259 25850 2206 1 4 . 1 1 94 94 GLU CA C 94 56.848 56.848 56.212 0.636 25850 2207 1 4 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.686 -0.632 25850 2208 1 4 . 1 1 94 94 GLU H H 94 8.571 8.571 8.602 -0.031 25850 2209 1 4 . 1 1 95 95 GLY N N 95 110.337 110.337 114.200 -3.863 25850 2210 1 4 . 1 1 95 95 GLY C C 95 174.070 174.070 174.116 -0.046 25850 2211 1 4 . 1 1 95 95 GLY CA C 95 45.191 45.191 44.883 0.309 25850 2212 1 4 . 1 1 95 95 GLY H H 95 8.490 8.490 8.802 -0.312 25850 2213 1 4 . 1 1 96 96 GLU N N 96 120.183 120.183 121.299 -1.116 25850 2214 1 4 . 1 1 96 96 GLU HA H 96 4.339 4.339 4.362 -0.023 25850 2215 1 4 . 1 1 96 96 GLU C C 96 176.463 176.463 175.969 0.494 25850 2216 1 4 . 1 1 96 96 GLU CA C 96 56.204 56.204 56.514 -0.310 25850 2217 1 4 . 1 1 96 96 GLU CB C 96 30.433 30.433 30.785 -0.352 25850 2218 1 4 . 1 1 96 96 GLU H H 96 8.142 8.142 7.825 0.317 25850 2219 1 4 . 1 1 97 97 SER N N 97 116.979 116.979 116.556 0.423 25850 2220 1 4 . 1 1 97 97 SER HA H 97 4.472 4.472 4.723 -0.251 25850 2221 1 4 . 1 1 97 97 SER C C 97 174.162 174.162 173.756 0.406 25850 2222 1 4 . 1 1 97 97 SER CA C 97 58.070 58.070 57.532 0.538 25850 2223 1 4 . 1 1 97 97 SER CB C 97 63.710 63.710 64.083 -0.373 25850 2224 1 4 . 1 1 97 97 SER H H 97 8.381 8.381 8.352 0.029 25850 2225 1 4 . 1 1 98 98 ILE N N 98 122.626 122.626 121.959 0.667 25850 2226 1 4 . 1 1 98 98 ILE HA H 98 4.201 4.201 4.526 -0.325 25850 2227 1 4 . 1 1 98 98 ILE C C 98 175.921 175.921 175.099 0.822 25850 2228 1 4 . 1 1 98 98 ILE CA C 98 60.947 60.947 61.129 -0.182 25850 2229 1 4 . 1 1 98 98 ILE CB C 98 38.616 38.616 38.607 0.009 25850 2230 1 4 . 1 1 98 98 ILE H H 98 8.216 8.216 8.276 -0.060 25850 2231 1 4 . 1 1 99 99 LEU N N 99 126.765 126.765 122.762 4.003 25850 2232 1 4 . 1 1 99 99 LEU HA H 99 4.399 4.399 4.698 -0.299 25850 2233 1 4 . 1 1 99 99 LEU C C 99 176.093 176.093 176.489 -0.396 25850 2234 1 4 . 1 1 99 99 LEU CA C 99 54.853 54.853 53.666 1.187 25850 2235 1 4 . 1 1 99 99 LEU CB C 99 42.135 42.135 42.904 -0.769 25850 2236 1 4 . 1 1 99 99 LEU H H 99 8.326 8.326 7.754 0.572 25850 2237 1 5 . 1 1 2 2 GLY C C 2 173.891 173.891 175.173 -1.282 25850 2238 1 5 . 1 1 2 2 GLY CA C 2 44.831 44.831 44.858 -0.026 25850 2239 1 5 . 1 1 3 3 SER N N 3 117.545 117.545 116.916 0.629 25850 2240 1 5 . 1 1 3 3 SER HA H 3 4.799 4.799 4.732 0.067 25850 2241 1 5 . 1 1 3 3 SER C C 3 173.162 173.162 173.828 -0.666 25850 2242 1 5 . 1 1 3 3 SER CA C 3 56.530 56.530 56.145 0.384 25850 2243 1 5 . 1 1 3 3 SER CB C 3 63.002 63.002 64.008 -1.006 25850 2244 1 5 . 1 1 3 3 SER H H 3 8.428 8.428 8.026 0.402 25850 2245 1 5 . 1 1 4 4 PRO HA H 4 4.644 4.644 4.432 0.212 25850 2246 1 5 . 1 1 4 4 PRO C C 4 178.093 178.093 178.279 -0.186 25850 2247 1 5 . 1 1 4 4 PRO CA C 4 65.378 65.378 64.896 0.482 25850 2248 1 5 . 1 1 4 4 PRO CB C 4 31.965 31.965 32.006 -0.041 25850 2249 1 5 . 1 1 5 5 ASP N N 5 115.270 115.270 116.930 -1.660 25850 2250 1 5 . 1 1 5 5 ASP HA H 5 4.353 4.353 4.323 0.030 25850 2251 1 5 . 1 1 5 5 ASP C C 5 178.915 178.915 178.592 0.323 25850 2252 1 5 . 1 1 5 5 ASP CA C 5 56.796 56.796 57.940 -1.144 25850 2253 1 5 . 1 1 5 5 ASP CB C 5 40.690 40.690 40.808 -0.118 25850 2254 1 5 . 1 1 5 5 ASP H H 5 8.233 8.233 8.766 -0.533 25850 2255 1 5 . 1 1 6 6 GLU N N 6 121.390 121.390 119.130 2.260 25850 2256 1 5 . 1 1 6 6 GLU HA H 6 4.027 4.027 4.001 0.026 25850 2257 1 5 . 1 1 6 6 GLU C C 6 178.836 178.836 179.033 -0.197 25850 2258 1 5 . 1 1 6 6 GLU CA C 6 58.594 58.594 59.126 -0.532 25850 2259 1 5 . 1 1 6 6 GLU CB C 6 29.641 29.641 29.481 0.160 25850 2260 1 5 . 1 1 6 6 GLU H H 6 7.770 7.770 7.765 0.005 25850 2261 1 5 . 1 1 7 7 ASN N N 7 119.966 119.966 118.264 1.702 25850 2262 1 5 . 1 1 7 7 ASN HA H 7 4.155 4.155 4.342 -0.187 25850 2263 1 5 . 1 1 7 7 ASN C C 7 176.723 176.723 177.742 -1.019 25850 2264 1 5 . 1 1 7 7 ASN CA C 7 55.007 55.007 55.655 -0.648 25850 2265 1 5 . 1 1 7 7 ASN CB C 7 36.627 36.627 37.996 -1.369 25850 2266 1 5 . 1 1 7 7 ASN H H 7 8.378 8.378 7.449 0.929 25850 2267 1 5 . 1 1 8 8 ILE N N 8 119.915 119.915 121.415 -1.500 25850 2268 1 5 . 1 1 8 8 ILE HA H 8 3.608 3.608 3.650 -0.042 25850 2269 1 5 . 1 1 8 8 ILE CA C 8 66.495 66.495 65.863 0.632 25850 2270 1 5 . 1 1 8 8 ILE CB C 8 37.558 37.558 37.674 -0.116 25850 2271 1 5 . 1 1 8 8 ILE H H 8 8.626 8.626 8.114 0.512 25850 2272 1 5 . 1 1 9 9 ALA N N 9 121.268 121.268 121.483 -0.215 25850 2273 1 5 . 1 1 9 9 ALA HA H 9 4.235 4.235 4.334 -0.099 25850 2274 1 5 . 1 1 9 9 ALA C C 9 180.624 180.624 179.556 1.068 25850 2275 1 5 . 1 1 9 9 ALA CA C 9 54.922 54.922 54.930 -0.008 25850 2276 1 5 . 1 1 9 9 ALA CB C 9 17.710 17.710 18.645 -0.935 25850 2277 1 5 . 1 1 9 9 ALA H H 9 7.597 7.597 7.678 -0.081 25850 2278 1 5 . 1 1 10 10 LYS N N 10 118.798 118.798 117.960 0.838 25850 2279 1 5 . 1 1 10 10 LYS HA H 10 4.011 4.011 4.093 -0.082 25850 2280 1 5 . 1 1 10 10 LYS C C 10 180.034 180.034 178.938 1.096 25850 2281 1 5 . 1 1 10 10 LYS CA C 10 59.264 59.264 58.502 0.762 25850 2282 1 5 . 1 1 10 10 LYS CB C 10 31.744 31.744 31.653 0.091 25850 2283 1 5 . 1 1 10 10 LYS H H 10 7.569 7.569 7.655 -0.086 25850 2284 1 5 . 1 1 11 11 PHE N N 11 121.394 121.394 120.242 1.152 25850 2285 1 5 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.345 0.383 25850 2286 1 5 . 1 1 11 11 PHE C C 11 178.445 178.445 178.227 0.218 25850 2287 1 5 . 1 1 11 11 PHE CA C 11 59.549 59.549 60.401 -0.852 25850 2288 1 5 . 1 1 11 11 PHE CB C 11 39.001 39.001 38.505 0.496 25850 2289 1 5 . 1 1 11 11 PHE H H 11 8.347 8.347 8.116 0.231 25850 2290 1 5 . 1 1 12 12 GLU N N 12 121.864 121.864 119.550 2.314 25850 2291 1 5 . 1 1 12 12 GLU HA H 12 4.127 4.127 4.154 -0.027 25850 2292 1 5 . 1 1 12 12 GLU C C 12 179.600 179.600 178.781 0.819 25850 2293 1 5 . 1 1 12 12 GLU CA C 12 59.803 59.803 59.312 0.491 25850 2294 1 5 . 1 1 12 12 GLU CB C 12 29.488 29.488 29.261 0.228 25850 2295 1 5 . 1 1 12 12 GLU H H 12 9.184 9.184 8.154 1.030 25850 2296 1 5 . 1 1 13 13 LYS N N 13 120.472 120.472 120.609 -0.137 25850 2297 1 5 . 1 1 13 13 LYS HA H 13 4.127 4.127 4.131 -0.004 25850 2298 1 5 . 1 1 13 13 LYS C C 13 179.120 179.120 178.616 0.504 25850 2299 1 5 . 1 1 13 13 LYS CA C 13 59.308 59.308 59.350 -0.042 25850 2300 1 5 . 1 1 13 13 LYS CB C 13 32.147 32.147 32.537 -0.390 25850 2301 1 5 . 1 1 13 13 LYS H H 13 7.800 7.800 7.756 0.044 25850 2302 1 5 . 1 1 14 14 ALA N N 14 122.753 122.753 120.985 1.768 25850 2303 1 5 . 1 1 14 14 ALA HA H 14 4.205 4.205 4.178 0.027 25850 2304 1 5 . 1 1 14 14 ALA C C 14 180.640 180.640 179.774 0.866 25850 2305 1 5 . 1 1 14 14 ALA CA C 14 54.756 54.756 54.771 -0.015 25850 2306 1 5 . 1 1 14 14 ALA CB C 14 17.913 17.913 18.200 -0.287 25850 2307 1 5 . 1 1 14 14 ALA H H 14 8.001 8.001 7.873 0.128 25850 2308 1 5 . 1 1 15 15 TYR HA H 15 3.850 3.850 4.160 -0.310 25850 2309 1 5 . 1 1 15 15 TYR C C 15 175.898 175.898 177.685 -1.787 25850 2310 1 5 . 1 1 15 15 TYR CA C 15 62.008 62.008 61.273 0.735 25850 2311 1 5 . 1 1 15 15 TYR CB C 15 37.756 37.756 38.606 -0.850 25850 2312 1 5 . 1 1 15 15 TYR H H 15 8.906 8.906 8.086 0.820 25850 2313 1 5 . 1 1 16 16 LYS N N 16 119.082 119.082 118.271 0.811 25850 2314 1 5 . 1 1 16 16 LYS HA H 16 3.985 3.985 3.915 0.070 25850 2315 1 5 . 1 1 16 16 LYS C C 16 179.068 179.068 178.984 0.084 25850 2316 1 5 . 1 1 16 16 LYS CA C 16 58.622 58.622 58.108 0.514 25850 2317 1 5 . 1 1 16 16 LYS CB C 16 32.131 32.131 31.848 0.283 25850 2318 1 5 . 1 1 16 16 LYS H H 16 8.059 8.059 7.898 0.161 25850 2319 1 5 . 1 1 17 17 LYS N N 17 119.708 119.708 119.939 -0.231 25850 2320 1 5 . 1 1 17 17 LYS HA H 17 4.142 4.142 4.369 -0.227 25850 2321 1 5 . 1 1 17 17 LYS CA C 17 57.951 57.951 58.987 -1.036 25850 2322 1 5 . 1 1 17 17 LYS CB C 17 31.802 31.802 32.473 -0.671 25850 2323 1 5 . 1 1 17 17 LYS H H 17 7.900 7.900 7.973 -0.073 25850 2324 1 5 . 1 1 18 18 ALA N N 18 120.860 120.860 121.451 -0.591 25850 2325 1 5 . 1 1 18 18 ALA HA H 18 4.329 4.329 4.188 0.141 25850 2326 1 5 . 1 1 18 18 ALA C C 18 179.572 179.572 179.096 0.476 25850 2327 1 5 . 1 1 18 18 ALA CA C 18 54.110 54.110 54.853 -0.743 25850 2328 1 5 . 1 1 18 18 ALA CB C 18 18.782 18.782 18.447 0.335 25850 2329 1 5 . 1 1 18 18 ALA H H 18 7.854 7.854 7.612 0.242 25850 2330 1 5 . 1 1 19 19 GLU N N 19 120.904 120.904 119.219 1.685 25850 2331 1 5 . 1 1 19 19 GLU HA H 19 4.240 4.240 3.992 0.248 25850 2332 1 5 . 1 1 19 19 GLU C C 19 180.268 180.268 179.358 0.910 25850 2333 1 5 . 1 1 19 19 GLU CA C 19 59.147 59.147 58.656 0.492 25850 2334 1 5 . 1 1 19 19 GLU CB C 19 29.889 29.889 29.618 0.271 25850 2335 1 5 . 1 1 19 19 GLU H H 19 8.690 8.690 7.879 0.811 25850 2336 1 5 . 1 1 20 20 GLU N N 20 120.868 120.868 119.664 1.204 25850 2337 1 5 . 1 1 20 20 GLU HA H 20 4.024 4.024 4.133 -0.109 25850 2338 1 5 . 1 1 20 20 GLU C C 20 177.975 177.975 177.808 0.167 25850 2339 1 5 . 1 1 20 20 GLU CA C 20 58.935 58.935 58.692 0.243 25850 2340 1 5 . 1 1 20 20 GLU CB C 20 29.549 29.549 29.104 0.445 25850 2341 1 5 . 1 1 20 20 GLU H H 20 7.898 7.898 8.121 -0.223 25850 2342 1 5 . 1 1 21 21 LEU N N 21 116.701 116.701 117.633 -0.932 25850 2343 1 5 . 1 1 21 21 LEU HA H 21 4.351 4.351 4.414 -0.063 25850 2344 1 5 . 1 1 21 21 LEU C C 21 176.199 176.199 176.791 -0.592 25850 2345 1 5 . 1 1 21 21 LEU CA C 21 54.158 54.158 54.186 -0.028 25850 2346 1 5 . 1 1 21 21 LEU CB C 21 41.776 41.776 41.960 -0.184 25850 2347 1 5 . 1 1 21 21 LEU H H 21 7.393 7.393 7.323 0.070 25850 2348 1 5 . 1 1 22 22 ASN N N 22 118.557 118.557 117.143 1.414 25850 2349 1 5 . 1 1 22 22 ASN HA H 22 4.278 4.278 4.416 -0.138 25850 2350 1 5 . 1 1 22 22 ASN C C 22 174.436 174.436 174.707 -0.271 25850 2351 1 5 . 1 1 22 22 ASN CA C 22 54.104 54.104 54.046 0.058 25850 2352 1 5 . 1 1 22 22 ASN CB C 22 37.364 37.364 38.171 -0.807 25850 2353 1 5 . 1 1 22 22 ASN H H 22 7.994 7.994 7.769 0.225 25850 2354 1 5 . 1 1 23 23 GLN N N 23 118.344 118.344 118.889 -0.545 25850 2355 1 5 . 1 1 23 23 GLN HA H 23 4.557 4.557 4.544 0.013 25850 2356 1 5 . 1 1 23 23 GLN C C 23 176.685 176.685 176.332 0.353 25850 2357 1 5 . 1 1 23 23 GLN CA C 23 53.983 53.983 54.888 -0.905 25850 2358 1 5 . 1 1 23 23 GLN CB C 23 27.770 27.770 28.321 -0.551 25850 2359 1 5 . 1 1 23 23 GLN H H 23 8.378 8.378 7.708 0.670 25850 2360 1 5 . 1 1 24 24 GLY N N 24 113.071 113.071 113.000 0.071 25850 2361 1 5 . 1 1 24 24 GLY C C 24 175.286 175.286 175.145 0.141 25850 2362 1 5 . 1 1 24 24 GLY CA C 24 47.823 47.823 47.048 0.775 25850 2363 1 5 . 1 1 24 24 GLY H H 24 8.468 8.468 8.466 0.002 25850 2364 1 5 . 1 1 25 25 GLU N N 25 120.717 120.717 122.281 -1.564 25850 2365 1 5 . 1 1 25 25 GLU HA H 25 4.124 4.124 4.018 0.106 25850 2366 1 5 . 1 1 25 25 GLU C C 25 176.495 176.495 178.650 -2.155 25850 2367 1 5 . 1 1 25 25 GLU CA C 25 59.621 59.621 59.030 0.591 25850 2368 1 5 . 1 1 25 25 GLU CB C 25 28.636 28.636 28.892 -0.256 25850 2369 1 5 . 1 1 25 25 GLU H H 25 9.067 9.067 7.992 1.075 25850 2370 1 5 . 1 1 26 26 LEU HA H 26 4.222 4.222 4.091 0.131 25850 2371 1 5 . 1 1 26 26 LEU C C 26 180.590 180.590 179.338 1.252 25850 2372 1 5 . 1 1 26 26 LEU CA C 26 56.882 56.882 57.324 -0.442 25850 2373 1 5 . 1 1 26 26 LEU CB C 26 41.231 41.231 41.863 -0.632 25850 2374 1 5 . 1 1 26 26 LEU H H 26 7.165 7.165 7.399 -0.234 25850 2375 1 5 . 1 1 27 27 MET N N 27 121.053 121.053 118.067 2.986 25850 2376 1 5 . 1 1 27 27 MET HA H 27 3.932 3.932 4.228 -0.296 25850 2377 1 5 . 1 1 27 27 MET CA C 27 59.980 59.980 59.787 0.193 25850 2378 1 5 . 1 1 27 27 MET CB C 27 34.537 34.537 32.408 2.129 25850 2379 1 5 . 1 1 27 27 MET H H 27 8.203 8.203 7.522 0.681 25850 2380 1 5 . 1 1 28 28 GLY N N 28 106.038 106.038 106.715 -0.677 25850 2381 1 5 . 1 1 28 28 GLY C C 28 174.900 174.900 175.586 -0.686 25850 2382 1 5 . 1 1 28 28 GLY CA C 28 47.672 47.672 46.541 1.131 25850 2383 1 5 . 1 1 28 28 GLY H H 28 8.527 8.527 8.484 0.043 25850 2384 1 5 . 1 1 29 29 ARG N N 29 120.201 120.201 121.861 -1.660 25850 2385 1 5 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.266 -0.071 25850 2386 1 5 . 1 1 29 29 ARG C C 29 178.065 178.065 178.521 -0.456 25850 2387 1 5 . 1 1 29 29 ARG CA C 29 59.974 59.974 59.169 0.805 25850 2388 1 5 . 1 1 29 29 ARG CB C 29 30.416 30.416 30.186 0.230 25850 2389 1 5 . 1 1 29 29 ARG H H 29 8.224 8.224 7.611 0.613 25850 2390 1 5 . 1 1 30 30 ALA N N 30 121.394 121.394 123.361 -1.967 25850 2391 1 5 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.024 0.173 25850 2392 1 5 . 1 1 30 30 ALA C C 30 179.433 179.433 179.524 -0.091 25850 2393 1 5 . 1 1 30 30 ALA CA C 30 55.838 55.838 55.066 0.772 25850 2394 1 5 . 1 1 30 30 ALA CB C 30 18.269 18.269 18.332 -0.063 25850 2395 1 5 . 1 1 30 30 ALA H H 30 7.876 7.876 7.970 -0.094 25850 2396 1 5 . 1 1 31 31 LEU N N 31 116.122 116.122 118.273 -2.151 25850 2397 1 5 . 1 1 31 31 LEU HA H 31 4.003 4.003 3.881 0.122 25850 2398 1 5 . 1 1 31 31 LEU C C 31 178.416 178.416 178.933 -0.517 25850 2399 1 5 . 1 1 31 31 LEU CA C 31 57.921 57.921 57.470 0.451 25850 2400 1 5 . 1 1 31 31 LEU CB C 31 42.463 42.463 41.709 0.754 25850 2401 1 5 . 1 1 31 31 LEU H H 31 8.084 8.084 7.917 0.167 25850 2402 1 5 . 1 1 32 32 TYR N N 32 119.225 119.225 120.672 -1.447 25850 2403 1 5 . 1 1 32 32 TYR HA H 32 4.063 4.063 4.295 -0.232 25850 2404 1 5 . 1 1 32 32 TYR C C 32 176.310 176.310 177.708 -1.398 25850 2405 1 5 . 1 1 32 32 TYR CA C 32 61.992 61.992 62.050 -0.057 25850 2406 1 5 . 1 1 32 32 TYR CB C 32 38.659 38.659 38.554 0.105 25850 2407 1 5 . 1 1 32 32 TYR H H 32 8.562 8.562 8.271 0.291 25850 2408 1 5 . 1 1 33 33 ASN N N 33 116.880 116.880 117.500 -0.620 25850 2409 1 5 . 1 1 33 33 ASN HA H 33 4.068 4.068 4.235 -0.167 25850 2410 1 5 . 1 1 33 33 ASN C C 33 178.353 178.353 177.531 0.822 25850 2411 1 5 . 1 1 33 33 ASN CA C 33 55.858 55.858 56.732 -0.874 25850 2412 1 5 . 1 1 33 33 ASN CB C 33 35.968 35.968 38.175 -2.208 25850 2413 1 5 . 1 1 33 33 ASN H H 33 8.213 8.213 7.790 0.423 25850 2414 1 5 . 1 1 34 34 ILE N N 34 121.401 121.401 120.294 1.107 25850 2415 1 5 . 1 1 34 34 ILE HA H 34 3.300 3.300 3.527 -0.227 25850 2416 1 5 . 1 1 34 34 ILE C C 34 177.867 177.867 177.652 0.215 25850 2417 1 5 . 1 1 34 34 ILE CA C 34 66.528 66.528 65.417 1.111 25850 2418 1 5 . 1 1 34 34 ILE CB C 34 37.839 37.839 37.160 0.679 25850 2419 1 5 . 1 1 34 34 ILE H H 34 8.087 8.087 8.005 0.082 25850 2420 1 5 . 1 1 35 35 GLY N N 35 107.275 107.275 107.599 -0.324 25850 2421 1 5 . 1 1 35 35 GLY C C 35 175.048 175.048 175.749 -0.701 25850 2422 1 5 . 1 1 35 35 GLY CA C 35 48.547 48.547 46.751 1.796 25850 2423 1 5 . 1 1 35 35 GLY H H 35 7.922 7.922 7.895 0.027 25850 2424 1 5 . 1 1 36 36 LEU N N 36 120.414 120.414 122.293 -1.879 25850 2425 1 5 . 1 1 36 36 LEU HA H 36 4.048 4.048 3.991 0.057 25850 2426 1 5 . 1 1 36 36 LEU C C 36 180.804 180.804 179.111 1.693 25850 2427 1 5 . 1 1 36 36 LEU CA C 36 58.063 58.063 57.625 0.438 25850 2428 1 5 . 1 1 36 36 LEU CB C 36 41.701 41.701 41.521 0.180 25850 2429 1 5 . 1 1 36 36 LEU H H 36 8.177 8.177 7.723 0.454 25850 2430 1 5 . 1 1 37 37 GLU N N 37 120.083 120.083 118.989 1.094 25850 2431 1 5 . 1 1 37 37 GLU HA H 37 4.075 4.075 4.009 0.066 25850 2432 1 5 . 1 1 37 37 GLU C C 37 179.517 179.517 179.320 0.197 25850 2433 1 5 . 1 1 37 37 GLU CA C 37 58.603 58.603 59.096 -0.493 25850 2434 1 5 . 1 1 37 37 GLU CB C 37 29.799 29.799 28.788 1.011 25850 2435 1 5 . 1 1 37 37 GLU H H 37 7.750 7.750 8.043 -0.293 25850 2436 1 5 . 1 1 38 38 LYS N N 38 118.263 118.263 119.079 -0.816 25850 2437 1 5 . 1 1 38 38 LYS HA H 38 3.862 3.862 3.975 -0.114 25850 2438 1 5 . 1 1 38 38 LYS C C 38 179.253 179.253 178.725 0.528 25850 2439 1 5 . 1 1 38 38 LYS CA C 38 57.937 57.937 58.982 -1.045 25850 2440 1 5 . 1 1 38 38 LYS CB C 38 30.769 30.769 31.978 -1.209 25850 2441 1 5 . 1 1 38 38 LYS H H 38 8.550 8.550 7.896 0.654 25850 2442 1 5 . 1 1 39 39 ASN N N 39 118.329 118.329 117.177 1.152 25850 2443 1 5 . 1 1 39 39 ASN HA H 39 4.193 4.193 4.459 -0.266 25850 2444 1 5 . 1 1 39 39 ASN C C 39 179.428 179.428 177.407 2.021 25850 2445 1 5 . 1 1 39 39 ASN CA C 39 56.177 56.177 55.793 0.384 25850 2446 1 5 . 1 1 39 39 ASN CB C 39 38.478 38.478 38.708 -0.230 25850 2447 1 5 . 1 1 39 39 ASN H H 39 8.294 8.294 7.933 0.361 25850 2448 1 5 . 1 1 40 40 LYS N N 40 121.176 121.176 117.546 3.630 25850 2449 1 5 . 1 1 40 40 LYS HA H 40 4.047 4.047 4.157 -0.110 25850 2450 1 5 . 1 1 40 40 LYS C C 40 178.229 178.229 177.862 0.367 25850 2451 1 5 . 1 1 40 40 LYS CA C 40 59.471 59.471 58.164 1.306 25850 2452 1 5 . 1 1 40 40 LYS CB C 40 32.427 32.427 32.049 0.378 25850 2453 1 5 . 1 1 40 40 LYS H H 40 7.912 7.912 7.774 0.138 25850 2454 1 5 . 1 1 41 41 MET N N 41 114.548 114.548 116.977 -2.429 25850 2455 1 5 . 1 1 41 41 MET HA H 41 4.512 4.512 4.431 0.081 25850 2456 1 5 . 1 1 41 41 MET C C 41 175.915 175.915 176.836 -0.921 25850 2457 1 5 . 1 1 41 41 MET CA C 41 55.529 55.529 56.339 -0.810 25850 2458 1 5 . 1 1 41 41 MET CB C 41 34.022 34.022 33.393 0.629 25850 2459 1 5 . 1 1 41 41 MET H H 41 7.389 7.389 7.632 -0.243 25850 2460 1 5 . 1 1 42 42 GLY N N 42 107.409 107.409 106.994 0.415 25850 2461 1 5 . 1 1 42 42 GLY C C 42 175.041 175.041 174.706 0.335 25850 2462 1 5 . 1 1 42 42 GLY CA C 42 45.335 45.335 45.132 0.203 25850 2463 1 5 . 1 1 42 42 GLY H H 42 7.929 7.929 7.619 0.310 25850 2464 1 5 . 1 1 43 43 LYS N N 43 124.326 124.326 122.473 1.853 25850 2465 1 5 . 1 1 43 43 LYS HA H 43 4.684 4.684 4.401 0.283 25850 2466 1 5 . 1 1 43 43 LYS C C 43 176.514 176.514 176.106 0.408 25850 2467 1 5 . 1 1 43 43 LYS CA C 43 53.791 53.791 54.982 -1.191 25850 2468 1 5 . 1 1 43 43 LYS CB C 43 30.065 30.065 31.189 -1.123 25850 2469 1 5 . 1 1 43 43 LYS H H 43 8.040 8.040 8.015 0.025 25850 2470 1 5 . 1 1 44 44 VAL N N 44 121.020 121.020 121.081 -0.061 25850 2471 1 5 . 1 1 44 44 VAL HA H 44 3.580 3.580 3.670 -0.090 25850 2472 1 5 . 1 1 44 44 VAL C C 44 177.096 177.096 177.496 -0.400 25850 2473 1 5 . 1 1 44 44 VAL CA C 44 66.166 66.166 66.098 0.068 25850 2474 1 5 . 1 1 44 44 VAL CB C 44 31.869 31.869 31.877 -0.007 25850 2475 1 5 . 1 1 44 44 VAL H H 44 7.439 7.439 7.681 -0.242 25850 2476 1 5 . 1 1 45 45 LYS N N 45 119.164 119.164 119.629 -0.465 25850 2477 1 5 . 1 1 45 45 LYS HA H 45 3.950 3.950 4.013 -0.063 25850 2478 1 5 . 1 1 45 45 LYS C C 45 179.726 179.726 178.805 0.921 25850 2479 1 5 . 1 1 45 45 LYS CA C 45 60.153 60.153 59.634 0.519 25850 2480 1 5 . 1 1 45 45 LYS CB C 45 31.446 31.446 31.395 0.051 25850 2481 1 5 . 1 1 45 45 LYS H H 45 8.427 8.427 8.593 -0.166 25850 2482 1 5 . 1 1 46 46 GLU N N 46 118.446 118.446 119.381 -0.935 25850 2483 1 5 . 1 1 46 46 GLU HA H 46 4.092 4.092 4.031 0.061 25850 2484 1 5 . 1 1 46 46 GLU C C 46 178.490 178.490 178.331 0.159 25850 2485 1 5 . 1 1 46 46 GLU CA C 46 59.327 59.327 59.128 0.199 25850 2486 1 5 . 1 1 46 46 GLU CB C 46 29.764 29.764 29.303 0.461 25850 2487 1 5 . 1 1 46 46 GLU H H 46 7.867 7.867 8.489 -0.622 25850 2488 1 5 . 1 1 47 47 ALA N N 47 122.279 122.279 123.173 -0.894 25850 2489 1 5 . 1 1 47 47 ALA HA H 47 3.513 3.513 3.690 -0.177 25850 2490 1 5 . 1 1 47 47 ALA C C 47 178.065 178.065 178.857 -0.792 25850 2491 1 5 . 1 1 47 47 ALA CA C 47 55.905 55.905 55.017 0.888 25850 2492 1 5 . 1 1 47 47 ALA CB C 47 18.256 18.256 18.163 0.093 25850 2493 1 5 . 1 1 47 47 ALA H H 47 8.315 8.315 7.661 0.654 25850 2494 1 5 . 1 1 48 48 ILE N N 48 115.863 115.863 117.937 -2.074 25850 2495 1 5 . 1 1 48 48 ILE HA H 48 3.401 3.401 3.487 -0.086 25850 2496 1 5 . 1 1 48 48 ILE C C 48 176.808 176.808 177.956 -1.148 25850 2497 1 5 . 1 1 48 48 ILE CA C 48 66.282 66.282 65.433 0.849 25850 2498 1 5 . 1 1 48 48 ILE CB C 48 38.375 38.375 37.552 0.823 25850 2499 1 5 . 1 1 48 48 ILE H H 48 8.077 8.077 7.592 0.485 25850 2500 1 5 . 1 1 49 49 GLU N N 49 116.853 116.853 118.821 -1.968 25850 2501 1 5 . 1 1 49 49 GLU HA H 49 3.920 3.920 3.838 0.082 25850 2502 1 5 . 1 1 49 49 GLU C C 49 179.914 179.914 179.129 0.785 25850 2503 1 5 . 1 1 49 49 GLU CA C 49 59.535 59.535 59.326 0.209 25850 2504 1 5 . 1 1 49 49 GLU CB C 49 28.995 28.995 28.964 0.031 25850 2505 1 5 . 1 1 49 49 GLU H H 49 7.175 7.175 7.591 -0.416 25850 2506 1 5 . 1 1 50 50 TYR N N 50 117.578 117.578 118.818 -1.240 25850 2507 1 5 . 1 1 50 50 TYR HA H 50 3.774 3.774 4.155 -0.381 25850 2508 1 5 . 1 1 50 50 TYR C C 50 178.462 178.462 178.460 0.002 25850 2509 1 5 . 1 1 50 50 TYR CA C 50 64.368 64.368 61.404 2.964 25850 2510 1 5 . 1 1 50 50 TYR CB C 50 37.345 37.345 38.090 -0.745 25850 2511 1 5 . 1 1 50 50 TYR H H 50 7.676 7.676 7.665 0.011 25850 2512 1 5 . 1 1 51 51 PHE N N 51 119.480 119.480 118.165 1.315 25850 2513 1 5 . 1 1 51 51 PHE HA H 51 4.711 4.711 4.457 0.254 25850 2514 1 5 . 1 1 51 51 PHE C C 51 178.720 178.720 177.946 0.774 25850 2515 1 5 . 1 1 51 51 PHE CA C 51 58.958 58.958 59.613 -0.655 25850 2516 1 5 . 1 1 51 51 PHE CB C 51 37.771 37.771 37.907 -0.136 25850 2517 1 5 . 1 1 51 51 PHE H H 51 9.013 9.013 7.892 1.121 25850 2518 1 5 . 1 1 52 52 LEU N N 52 120.365 120.365 120.861 -0.496 25850 2519 1 5 . 1 1 52 52 LEU HA H 52 4.093 4.093 3.936 0.157 25850 2520 1 5 . 1 1 52 52 LEU C C 52 180.229 180.229 178.960 1.269 25850 2521 1 5 . 1 1 52 52 LEU CA C 52 58.252 58.252 58.309 -0.058 25850 2522 1 5 . 1 1 52 52 LEU CB C 52 42.160 42.160 41.363 0.797 25850 2523 1 5 . 1 1 52 52 LEU H H 52 8.906 8.906 8.380 0.526 25850 2524 1 5 . 1 1 53 53 ARG N N 53 119.294 119.294 118.946 0.348 25850 2525 1 5 . 1 1 53 53 ARG HA H 53 3.929 3.929 3.941 -0.012 25850 2526 1 5 . 1 1 53 53 ARG C C 53 179.087 179.087 178.412 0.675 25850 2527 1 5 . 1 1 53 53 ARG CA C 53 59.580 59.580 59.621 -0.041 25850 2528 1 5 . 1 1 53 53 ARG CB C 53 31.418 31.418 29.778 1.640 25850 2529 1 5 . 1 1 53 53 ARG H H 53 7.846 7.846 8.138 -0.292 25850 2530 1 5 . 1 1 54 54 ALA N N 54 121.351 121.351 121.628 -0.277 25850 2531 1 5 . 1 1 54 54 ALA HA H 54 3.693 3.693 3.865 -0.172 25850 2532 1 5 . 1 1 54 54 ALA C C 54 177.631 177.631 179.071 -1.440 25850 2533 1 5 . 1 1 54 54 ALA CA C 54 55.115 55.115 55.303 -0.188 25850 2534 1 5 . 1 1 54 54 ALA CB C 54 17.612 17.612 18.333 -0.721 25850 2535 1 5 . 1 1 54 54 ALA H H 54 8.892 8.892 8.138 0.754 25850 2536 1 5 . 1 1 55 55 LYS N N 55 117.135 117.135 119.039 -1.904 25850 2537 1 5 . 1 1 55 55 LYS HA H 55 3.835 3.835 4.238 -0.403 25850 2538 1 5 . 1 1 55 55 LYS C C 55 176.970 176.970 178.495 -1.525 25850 2539 1 5 . 1 1 55 55 LYS CA C 55 60.725 60.725 60.007 0.718 25850 2540 1 5 . 1 1 55 55 LYS CB C 55 32.602 32.602 32.352 0.250 25850 2541 1 5 . 1 1 55 55 LYS H H 55 8.626 8.626 8.133 0.493 25850 2542 1 5 . 1 1 56 56 LYS N N 56 116.695 116.695 119.443 -2.748 25850 2543 1 5 . 1 1 56 56 LYS HA H 56 4.171 4.171 4.061 0.110 25850 2544 1 5 . 1 1 56 56 LYS C C 56 180.037 180.037 179.165 0.872 25850 2545 1 5 . 1 1 56 56 LYS CA C 56 59.606 59.606 59.480 0.126 25850 2546 1 5 . 1 1 56 56 LYS CB C 56 32.349 32.349 32.343 0.007 25850 2547 1 5 . 1 1 56 56 LYS H H 56 7.652 7.652 7.724 -0.072 25850 2548 1 5 . 1 1 57 57 VAL N N 57 120.809 120.809 118.969 1.840 25850 2549 1 5 . 1 1 57 57 VAL HA H 57 3.753 3.753 3.750 0.003 25850 2550 1 5 . 1 1 57 57 VAL C C 57 178.174 178.174 178.206 -0.032 25850 2551 1 5 . 1 1 57 57 VAL CA C 57 66.226 66.226 65.873 0.353 25850 2552 1 5 . 1 1 57 57 VAL CB C 57 31.424 31.424 30.989 0.435 25850 2553 1 5 . 1 1 57 57 VAL H H 57 7.583 7.583 7.991 -0.408 25850 2554 1 5 . 1 1 58 58 PHE N N 58 118.864 118.864 120.088 -1.224 25850 2555 1 5 . 1 1 58 58 PHE HA H 58 4.521 4.521 4.129 0.392 25850 2556 1 5 . 1 1 58 58 PHE C C 58 179.187 179.187 177.920 1.267 25850 2557 1 5 . 1 1 58 58 PHE CA C 58 59.849 59.849 61.887 -2.038 25850 2558 1 5 . 1 1 58 58 PHE CB C 58 37.753 37.753 37.965 -0.212 25850 2559 1 5 . 1 1 58 58 PHE H H 58 8.871 8.871 8.213 0.658 25850 2560 1 5 . 1 1 59 59 ASP N N 59 119.714 119.714 118.651 1.063 25850 2561 1 5 . 1 1 59 59 ASP HA H 59 4.444 4.444 4.306 0.138 25850 2562 1 5 . 1 1 59 59 ASP C C 59 180.066 180.066 178.261 1.805 25850 2563 1 5 . 1 1 59 59 ASP CA C 59 57.201 57.201 57.388 -0.187 25850 2564 1 5 . 1 1 59 59 ASP CB C 59 39.713 39.713 40.719 -1.006 25850 2565 1 5 . 1 1 59 59 ASP H H 59 9.157 9.157 8.502 0.655 25850 2566 1 5 . 1 1 60 60 ALA N N 60 124.290 124.290 121.810 2.480 25850 2567 1 5 . 1 1 60 60 ALA HA H 60 4.087 4.087 4.045 0.042 25850 2568 1 5 . 1 1 60 60 ALA C C 60 179.389 179.389 178.767 0.622 25850 2569 1 5 . 1 1 60 60 ALA CA C 60 54.760 54.760 54.410 0.350 25850 2570 1 5 . 1 1 60 60 ALA CB C 60 18.025 18.025 18.623 -0.598 25850 2571 1 5 . 1 1 60 60 ALA H H 60 7.742 7.742 7.449 0.293 25850 2572 1 5 . 1 1 61 61 GLU N N 61 114.493 114.493 115.724 -1.231 25850 2573 1 5 . 1 1 61 61 GLU HA H 61 4.259 4.259 4.302 -0.043 25850 2574 1 5 . 1 1 61 61 GLU C C 61 175.970 175.970 176.914 -0.944 25850 2575 1 5 . 1 1 61 61 GLU CA C 61 55.049 55.049 56.621 -1.572 25850 2576 1 5 . 1 1 61 61 GLU CB C 61 29.724 29.724 29.971 -0.247 25850 2577 1 5 . 1 1 61 61 GLU H H 61 7.908 7.908 7.874 0.034 25850 2578 1 5 . 1 1 62 62 HIS N N 62 115.130 115.130 113.020 2.110 25850 2579 1 5 . 1 1 62 62 HIS HA H 62 4.264 4.264 4.376 -0.112 25850 2580 1 5 . 1 1 62 62 HIS C C 62 173.916 173.916 174.147 -0.231 25850 2581 1 5 . 1 1 62 62 HIS CA C 62 56.531 56.531 57.018 -0.487 25850 2582 1 5 . 1 1 62 62 HIS CB C 62 26.039 26.039 27.375 -1.336 25850 2583 1 5 . 1 1 62 62 HIS H H 62 7.830 7.830 7.507 0.323 25850 2584 1 5 . 1 1 63 63 ASP N N 63 118.507 118.507 120.115 -1.608 25850 2585 1 5 . 1 1 63 63 ASP HA H 63 4.854 4.854 4.807 0.047 25850 2586 1 5 . 1 1 63 63 ASP C C 63 176.143 176.143 176.475 -0.332 25850 2587 1 5 . 1 1 63 63 ASP CA C 63 52.127 52.127 53.093 -0.966 25850 2588 1 5 . 1 1 63 63 ASP CB C 63 40.068 40.068 41.049 -0.981 25850 2589 1 5 . 1 1 63 63 ASP H H 63 8.521 8.521 8.132 0.389 25850 2590 1 5 . 1 1 64 64 THR N N 64 119.037 119.037 122.084 -3.047 25850 2591 1 5 . 1 1 64 64 THR HA H 64 3.869 3.869 4.070 -0.201 25850 2592 1 5 . 1 1 64 64 THR C C 64 176.814 176.814 175.660 1.154 25850 2593 1 5 . 1 1 64 64 THR CA C 64 65.198 65.198 65.103 0.095 25850 2594 1 5 . 1 1 64 64 THR CB C 64 68.315 68.315 69.085 -0.770 25850 2595 1 5 . 1 1 64 64 THR H H 64 7.907 7.907 8.323 -0.416 25850 2596 1 5 . 1 1 65 65 ASP N N 65 122.892 122.892 120.344 2.548 25850 2597 1 5 . 1 1 65 65 ASP HA H 65 4.287 4.287 4.405 -0.118 25850 2598 1 5 . 1 1 65 65 ASP C C 65 178.326 178.326 178.300 0.026 25850 2599 1 5 . 1 1 65 65 ASP CA C 65 57.350 57.350 57.427 -0.077 25850 2600 1 5 . 1 1 65 65 ASP CB C 65 41.121 41.121 40.482 0.639 25850 2601 1 5 . 1 1 65 65 ASP H H 65 8.375 8.375 8.028 0.347 25850 2602 1 5 . 1 1 66 66 GLY N N 66 109.334 109.334 106.239 3.095 25850 2603 1 5 . 1 1 66 66 GLY C C 66 175.861 175.861 175.136 0.725 25850 2604 1 5 . 1 1 66 66 GLY CA C 66 46.136 46.136 45.978 0.158 25850 2605 1 5 . 1 1 66 66 GLY H H 66 8.234 8.234 7.624 0.610 25850 2606 1 5 . 1 1 67 67 ALA N N 67 122.888 122.888 124.339 -1.451 25850 2607 1 5 . 1 1 67 67 ALA HA H 67 3.892 3.892 4.111 -0.219 25850 2608 1 5 . 1 1 67 67 ALA C C 67 179.384 179.384 179.646 -0.262 25850 2609 1 5 . 1 1 67 67 ALA CA C 67 55.960 55.960 54.586 1.374 25850 2610 1 5 . 1 1 67 67 ALA CB C 67 18.611 18.611 18.567 0.044 25850 2611 1 5 . 1 1 67 67 ALA H H 67 7.949 7.949 7.303 0.646 25850 2612 1 5 . 1 1 68 68 ARG N N 68 118.221 118.221 117.881 0.340 25850 2613 1 5 . 1 1 68 68 ARG HA H 68 3.993 3.993 4.050 -0.057 25850 2614 1 5 . 1 1 68 68 ARG C C 68 179.355 179.355 178.641 0.714 25850 2615 1 5 . 1 1 68 68 ARG CA C 68 59.234 59.234 59.098 0.136 25850 2616 1 5 . 1 1 68 68 ARG CB C 68 29.799 29.799 30.131 -0.332 25850 2617 1 5 . 1 1 68 68 ARG H H 68 7.917 7.917 8.150 -0.233 25850 2618 1 5 . 1 1 69 69 ARG N N 69 120.551 120.551 120.318 0.233 25850 2619 1 5 . 1 1 69 69 ARG HA H 69 3.923 3.923 3.982 -0.059 25850 2620 1 5 . 1 1 69 69 ARG C C 69 179.120 179.120 177.910 1.210 25850 2621 1 5 . 1 1 69 69 ARG CA C 69 59.310 59.310 59.164 0.146 25850 2622 1 5 . 1 1 69 69 ARG CB C 69 29.189 29.189 29.842 -0.653 25850 2623 1 5 . 1 1 69 69 ARG H H 69 7.749 7.749 7.885 -0.136 25850 2624 1 5 . 1 1 70 70 ALA N N 70 121.098 121.098 121.039 0.059 25850 2625 1 5 . 1 1 70 70 ALA HA H 70 4.016 4.016 4.425 -0.409 25850 2626 1 5 . 1 1 70 70 ALA C C 70 178.438 178.438 179.385 -0.947 25850 2627 1 5 . 1 1 70 70 ALA CA C 70 55.536 55.536 54.858 0.678 25850 2628 1 5 . 1 1 70 70 ALA CB C 70 17.216 17.216 18.393 -1.177 25850 2629 1 5 . 1 1 70 70 ALA H H 70 8.245 8.245 7.987 0.258 25850 2630 1 5 . 1 1 71 71 ALA N N 71 119.333 119.333 120.670 -1.337 25850 2631 1 5 . 1 1 71 71 ALA HA H 71 4.047 4.047 4.170 -0.123 25850 2632 1 5 . 1 1 71 71 ALA C C 71 180.219 180.219 179.008 1.211 25850 2633 1 5 . 1 1 71 71 ALA CA C 71 55.083 55.083 54.837 0.246 25850 2634 1 5 . 1 1 71 71 ALA CB C 71 18.198 18.198 18.325 -0.127 25850 2635 1 5 . 1 1 71 71 ALA H H 71 8.565 8.565 7.966 0.599 25850 2636 1 5 . 1 1 72 72 LYS N N 72 121.188 121.188 119.405 1.783 25850 2637 1 5 . 1 1 72 72 LYS HA H 72 4.107 4.107 4.014 0.093 25850 2638 1 5 . 1 1 72 72 LYS C C 72 179.155 179.155 178.457 0.698 25850 2639 1 5 . 1 1 72 72 LYS CA C 72 59.271 59.271 59.700 -0.429 25850 2640 1 5 . 1 1 72 72 LYS CB C 72 31.786 31.786 32.360 -0.574 25850 2641 1 5 . 1 1 72 72 LYS H H 72 8.108 8.108 8.069 0.039 25850 2642 1 5 . 1 1 73 73 SER N N 73 116.976 116.976 115.006 1.970 25850 2643 1 5 . 1 1 73 73 SER HA H 73 3.957 3.957 4.055 -0.098 25850 2644 1 5 . 1 1 73 73 SER C C 73 176.394 176.394 176.413 -0.019 25850 2645 1 5 . 1 1 73 73 SER CA C 73 62.753 62.753 60.659 2.094 25850 2646 1 5 . 1 1 73 73 SER CB C 73 60.718 60.718 62.150 -1.432 25850 2647 1 5 . 1 1 73 73 SER H H 73 8.057 8.057 7.781 0.276 25850 2648 1 5 . 1 1 74 74 LEU N N 74 123.741 123.741 122.191 1.550 25850 2649 1 5 . 1 1 74 74 LEU HA H 74 3.831 3.831 3.862 -0.031 25850 2650 1 5 . 1 1 74 74 LEU C C 74 176.704 176.704 178.420 -1.716 25850 2651 1 5 . 1 1 74 74 LEU CA C 74 58.545 58.545 58.216 0.329 25850 2652 1 5 . 1 1 74 74 LEU CB C 74 41.862 41.862 41.824 0.038 25850 2653 1 5 . 1 1 74 74 LEU H H 74 8.341 8.341 7.991 0.350 25850 2654 1 5 . 1 1 75 75 SER N N 75 113.508 113.508 114.112 -0.604 25850 2655 1 5 . 1 1 75 75 SER HA H 75 4.277 4.277 4.328 -0.051 25850 2656 1 5 . 1 1 75 75 SER C C 75 177.668 177.668 176.492 1.176 25850 2657 1 5 . 1 1 75 75 SER CA C 75 61.926 61.926 62.167 -0.241 25850 2658 1 5 . 1 1 75 75 SER CB C 75 62.702 62.702 62.582 0.120 25850 2659 1 5 . 1 1 75 75 SER H H 75 8.055 8.055 8.028 0.027 25850 2660 1 5 . 1 1 76 76 GLU N N 76 119.999 119.999 121.261 -1.262 25850 2661 1 5 . 1 1 76 76 GLU HA H 76 4.041 4.041 4.046 -0.005 25850 2662 1 5 . 1 1 76 76 GLU C C 76 178.836 178.836 178.644 0.192 25850 2663 1 5 . 1 1 76 76 GLU CA C 76 58.928 58.928 59.169 -0.241 25850 2664 1 5 . 1 1 76 76 GLU CB C 76 29.684 29.684 29.589 0.095 25850 2665 1 5 . 1 1 76 76 GLU H H 76 7.874 7.874 7.988 -0.114 25850 2666 1 5 . 1 1 77 77 ALA N N 77 123.551 123.551 121.472 2.079 25850 2667 1 5 . 1 1 77 77 ALA HA H 77 4.242 4.242 4.111 0.131 25850 2668 1 5 . 1 1 77 77 ALA C C 77 180.005 180.005 179.901 0.104 25850 2669 1 5 . 1 1 77 77 ALA CA C 77 55.031 55.031 54.819 0.212 25850 2670 1 5 . 1 1 77 77 ALA CB C 77 18.237 18.237 18.387 -0.151 25850 2671 1 5 . 1 1 77 77 ALA H H 77 8.043 8.043 7.549 0.494 25850 2672 1 5 . 1 1 78 78 TYR N N 78 116.371 116.371 118.138 -1.767 25850 2673 1 5 . 1 1 78 78 TYR HA H 78 4.418 4.418 4.186 0.232 25850 2674 1 5 . 1 1 78 78 TYR C C 78 178.901 178.901 178.428 0.473 25850 2675 1 5 . 1 1 78 78 TYR CA C 78 60.302 60.302 60.587 -0.285 25850 2676 1 5 . 1 1 78 78 TYR CB C 78 37.416 37.416 37.527 -0.111 25850 2677 1 5 . 1 1 78 78 TYR H H 78 8.699 8.699 8.228 0.471 25850 2678 1 5 . 1 1 79 79 GLN N N 79 116.649 116.649 119.110 -2.461 25850 2679 1 5 . 1 1 79 79 GLN HA H 79 4.212 4.212 4.000 0.212 25850 2680 1 5 . 1 1 79 79 GLN C C 79 177.778 177.778 178.411 -0.633 25850 2681 1 5 . 1 1 79 79 GLN CA C 79 57.922 57.922 59.411 -1.489 25850 2682 1 5 . 1 1 79 79 GLN CB C 79 28.659 28.659 28.409 0.250 25850 2683 1 5 . 1 1 79 79 GLN H H 79 7.667 7.667 7.995 -0.328 25850 2684 1 5 . 1 1 80 80 LYS N N 80 118.855 118.855 117.701 1.154 25850 2685 1 5 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.093 0.200 25850 2686 1 5 . 1 1 80 80 LYS C C 80 178.038 178.038 178.475 -0.437 25850 2687 1 5 . 1 1 80 80 LYS CA C 80 57.474 57.474 58.802 -1.328 25850 2688 1 5 . 1 1 80 80 LYS CB C 80 32.816 32.816 32.372 0.444 25850 2689 1 5 . 1 1 80 80 LYS H H 80 7.766 7.766 7.573 0.193 25850 2690 1 5 . 1 1 81 81 VAL N N 81 117.863 117.863 118.625 -0.762 25850 2691 1 5 . 1 1 81 81 VAL HA H 81 4.076 4.076 3.849 0.227 25850 2692 1 5 . 1 1 81 81 VAL C C 81 176.805 176.805 178.269 -1.464 25850 2693 1 5 . 1 1 81 81 VAL CA C 81 63.409 63.409 65.284 -1.875 25850 2694 1 5 . 1 1 81 81 VAL CB C 81 32.423 32.423 31.603 0.820 25850 2695 1 5 . 1 1 81 81 VAL H H 81 7.821 7.821 7.627 0.194 25850 2696 1 5 . 1 1 82 82 GLU N N 82 122.552 122.552 119.196 3.356 25850 2697 1 5 . 1 1 82 82 GLU HA H 82 4.277 4.277 4.198 0.079 25850 2698 1 5 . 1 1 82 82 GLU C C 82 177.559 177.559 176.778 0.781 25850 2699 1 5 . 1 1 82 82 GLU CA C 82 57.300 57.300 57.870 -0.570 25850 2700 1 5 . 1 1 82 82 GLU CB C 82 29.927 29.927 30.584 -0.657 25850 2701 1 5 . 1 1 82 82 GLU H H 82 8.329 8.329 8.196 0.133 25850 2702 1 5 . 1 1 83 83 GLY N N 83 109.040 109.040 107.123 1.917 25850 2703 1 5 . 1 1 83 83 GLY C C 83 174.590 174.590 173.277 1.313 25850 2704 1 5 . 1 1 83 83 GLY CA C 83 45.530 45.530 44.660 0.870 25850 2705 1 5 . 1 1 83 83 GLY H H 83 8.309 8.309 7.538 0.771 25850 2706 1 5 . 1 1 84 84 SER N N 84 115.258 115.258 115.870 -0.612 25850 2707 1 5 . 1 1 84 84 SER HA H 84 4.495 4.495 4.630 -0.135 25850 2708 1 5 . 1 1 84 84 SER C C 84 175.217 175.217 175.750 -0.533 25850 2709 1 5 . 1 1 84 84 SER CA C 84 58.580 58.580 56.798 1.782 25850 2710 1 5 . 1 1 84 84 SER CB C 84 63.827 63.827 63.912 -0.085 25850 2711 1 5 . 1 1 84 84 SER H H 84 8.180 8.180 8.362 -0.182 25850 2712 1 5 . 1 1 85 85 GLY N N 85 110.681 110.681 111.842 -1.161 25850 2713 1 5 . 1 1 85 85 GLY C C 85 174.063 174.063 173.900 0.163 25850 2714 1 5 . 1 1 85 85 GLY CA C 85 45.395 45.395 45.572 -0.176 25850 2715 1 5 . 1 1 85 85 GLY H H 85 8.472 8.472 8.799 -0.327 25850 2716 1 5 . 1 1 86 86 ASP N N 86 120.537 120.537 118.959 1.578 25850 2717 1 5 . 1 1 86 86 ASP HA H 86 4.597 4.597 4.604 -0.007 25850 2718 1 5 . 1 1 86 86 ASP C C 86 176.761 176.761 175.181 1.580 25850 2719 1 5 . 1 1 86 86 ASP CA C 86 54.451 54.451 53.491 0.960 25850 2720 1 5 . 1 1 86 86 ASP CB C 86 41.069 41.069 42.586 -1.517 25850 2721 1 5 . 1 1 86 86 ASP H H 86 8.272 8.272 7.919 0.353 25850 2722 1 5 . 1 1 87 87 LYS N N 87 121.608 121.608 124.647 -3.039 25850 2723 1 5 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.452 -0.206 25850 2724 1 5 . 1 1 87 87 LYS C C 87 177.342 177.342 176.366 0.976 25850 2725 1 5 . 1 1 87 87 LYS CA C 87 56.545 56.545 56.115 0.430 25850 2726 1 5 . 1 1 87 87 LYS CB C 87 32.302 32.302 32.003 0.299 25850 2727 1 5 . 1 1 87 87 LYS H H 87 8.344 8.344 8.473 -0.129 25850 2728 1 5 . 1 1 88 88 GLY N N 88 108.711 108.711 112.445 -3.734 25850 2729 1 5 . 1 1 88 88 GLY C C 88 174.216 174.216 173.303 0.913 25850 2730 1 5 . 1 1 88 88 GLY CA C 88 45.339 45.339 44.492 0.847 25850 2731 1 5 . 1 1 88 88 GLY H H 88 8.449 8.449 8.294 0.155 25850 2732 1 5 . 1 1 89 89 LYS N N 89 120.508 120.508 120.454 0.054 25850 2733 1 5 . 1 1 89 89 LYS HA H 89 4.266 4.266 4.465 -0.199 25850 2734 1 5 . 1 1 89 89 LYS C C 89 176.464 176.464 176.008 0.456 25850 2735 1 5 . 1 1 89 89 LYS CA C 89 56.214 56.214 55.950 0.264 25850 2736 1 5 . 1 1 89 89 LYS CB C 89 32.824 32.824 33.078 -0.254 25850 2737 1 5 . 1 1 89 89 LYS H H 89 7.958 7.958 8.246 -0.288 25850 2738 1 5 . 1 1 90 90 ILE N N 90 121.127 121.127 119.843 1.284 25850 2739 1 5 . 1 1 90 90 ILE HA H 90 4.091 4.091 4.262 -0.171 25850 2740 1 5 . 1 1 90 90 ILE C C 90 175.896 175.896 175.609 0.287 25850 2741 1 5 . 1 1 90 90 ILE CA C 90 61.022 61.022 60.582 0.440 25850 2742 1 5 . 1 1 90 90 ILE CB C 90 38.488 38.488 39.075 -0.587 25850 2743 1 5 . 1 1 90 90 ILE H H 90 8.005 8.005 8.146 -0.141 25850 2744 1 5 . 1 1 91 91 PHE N N 91 123.843 123.843 122.709 1.134 25850 2745 1 5 . 1 1 91 91 PHE HA H 91 4.615 4.615 4.576 0.039 25850 2746 1 5 . 1 1 91 91 PHE C C 91 175.327 175.327 176.420 -1.093 25850 2747 1 5 . 1 1 91 91 PHE CA C 91 57.565 57.565 57.784 -0.219 25850 2748 1 5 . 1 1 91 91 PHE CB C 91 39.457 39.457 39.643 -0.186 25850 2749 1 5 . 1 1 91 91 PHE H H 91 8.283 8.283 8.350 -0.067 25850 2750 1 5 . 1 1 92 92 GLN N N 92 122.349 122.349 122.666 -0.317 25850 2751 1 5 . 1 1 92 92 GLN HA H 92 4.296 4.296 4.254 0.042 25850 2752 1 5 . 1 1 92 92 GLN C C 92 175.338 175.338 176.067 -0.729 25850 2753 1 5 . 1 1 92 92 GLN CA C 92 55.492 55.492 56.260 -0.768 25850 2754 1 5 . 1 1 92 92 GLN CB C 92 29.708 29.708 28.849 0.859 25850 2755 1 5 . 1 1 92 92 GLN H H 92 8.212 8.212 8.556 -0.344 25850 2756 1 5 . 1 1 93 93 LYS N N 93 123.137 123.137 127.026 -3.889 25850 2757 1 5 . 1 1 93 93 LYS HA H 93 4.250 4.250 4.152 0.098 25850 2758 1 5 . 1 1 93 93 LYS C C 93 176.492 176.492 176.726 -0.234 25850 2759 1 5 . 1 1 93 93 LYS CA C 93 56.272 56.272 56.707 -0.435 25850 2760 1 5 . 1 1 93 93 LYS CB C 93 33.055 33.055 32.770 0.284 25850 2761 1 5 . 1 1 93 93 LYS H H 93 8.364 8.364 8.500 -0.136 25850 2762 1 5 . 1 1 94 94 GLU N N 94 122.671 122.671 128.444 -5.773 25850 2763 1 5 . 1 1 94 94 GLU HA H 94 4.246 4.246 4.518 -0.272 25850 2764 1 5 . 1 1 94 94 GLU C C 94 177.008 177.008 176.498 0.510 25850 2765 1 5 . 1 1 94 94 GLU CA C 94 56.848 56.848 56.140 0.708 25850 2766 1 5 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.268 -0.214 25850 2767 1 5 . 1 1 94 94 GLU H H 94 8.571 8.571 8.347 0.224 25850 2768 1 5 . 1 1 95 95 GLY N N 95 110.337 110.337 115.208 -4.871 25850 2769 1 5 . 1 1 95 95 GLY C C 95 174.070 174.070 174.931 -0.861 25850 2770 1 5 . 1 1 95 95 GLY CA C 95 45.191 45.191 46.265 -1.074 25850 2771 1 5 . 1 1 95 95 GLY H H 95 8.490 8.490 8.797 -0.307 25850 2772 1 5 . 1 1 96 96 GLU N N 96 120.183 120.183 121.739 -1.556 25850 2773 1 5 . 1 1 96 96 GLU HA H 96 4.339 4.339 4.729 -0.390 25850 2774 1 5 . 1 1 96 96 GLU C C 96 176.463 176.463 175.769 0.694 25850 2775 1 5 . 1 1 96 96 GLU CA C 96 56.204 56.204 54.755 1.449 25850 2776 1 5 . 1 1 96 96 GLU CB C 96 30.433 30.433 30.513 -0.080 25850 2777 1 5 . 1 1 96 96 GLU H H 96 8.142 8.142 8.075 0.067 25850 2778 1 5 . 1 1 97 97 SER N N 97 116.979 116.979 113.571 3.408 25850 2779 1 5 . 1 1 97 97 SER HA H 97 4.472 4.472 4.644 -0.172 25850 2780 1 5 . 1 1 97 97 SER C C 97 174.162 174.162 173.974 0.188 25850 2781 1 5 . 1 1 97 97 SER CA C 97 58.070 58.070 57.157 0.913 25850 2782 1 5 . 1 1 97 97 SER CB C 97 63.710 63.710 63.111 0.599 25850 2783 1 5 . 1 1 97 97 SER H H 97 8.381 8.381 8.717 -0.336 25850 2784 1 5 . 1 1 98 98 ILE N N 98 122.626 122.626 123.936 -1.310 25850 2785 1 5 . 1 1 98 98 ILE HA H 98 4.201 4.201 4.128 0.074 25850 2786 1 5 . 1 1 98 98 ILE C C 98 175.921 175.921 174.525 1.396 25850 2787 1 5 . 1 1 98 98 ILE CA C 98 60.947 60.947 62.326 -1.379 25850 2788 1 5 . 1 1 98 98 ILE CB C 98 38.616 38.616 37.767 0.849 25850 2789 1 5 . 1 1 98 98 ILE H H 98 8.216 8.216 7.860 0.356 25850 2790 1 5 . 1 1 99 99 LEU N N 99 126.765 126.765 125.414 1.351 25850 2791 1 5 . 1 1 99 99 LEU HA H 99 4.399 4.399 4.665 -0.266 25850 2792 1 5 . 1 1 99 99 LEU C C 99 176.093 176.093 176.020 0.073 25850 2793 1 5 . 1 1 99 99 LEU CA C 99 54.853 54.853 54.100 0.753 25850 2794 1 5 . 1 1 99 99 LEU CB C 99 42.135 42.135 42.775 -0.640 25850 2795 1 5 . 1 1 99 99 LEU H H 99 8.326 8.326 8.189 0.137 25850 2796 1 6 . 1 1 2 2 GLY C C 2 173.891 173.891 173.968 -0.077 25850 2797 1 6 . 1 1 2 2 GLY CA C 2 44.831 44.831 44.668 0.163 25850 2798 1 6 . 1 1 3 3 SER N N 3 117.545 117.545 115.687 1.858 25850 2799 1 6 . 1 1 3 3 SER HA H 3 4.799 4.799 4.617 0.182 25850 2800 1 6 . 1 1 3 3 SER C C 3 173.162 173.162 174.109 -0.947 25850 2801 1 6 . 1 1 3 3 SER CA C 3 56.530 56.530 56.169 0.361 25850 2802 1 6 . 1 1 3 3 SER CB C 3 63.002 63.002 63.520 -0.518 25850 2803 1 6 . 1 1 3 3 SER H H 3 8.428 8.428 7.803 0.625 25850 2804 1 6 . 1 1 4 4 PRO HA H 4 4.644 4.644 4.409 0.235 25850 2805 1 6 . 1 1 4 4 PRO C C 4 178.093 178.093 178.623 -0.530 25850 2806 1 6 . 1 1 4 4 PRO CA C 4 65.378 65.378 65.335 0.043 25850 2807 1 6 . 1 1 4 4 PRO CB C 4 31.965 31.965 31.905 0.060 25850 2808 1 6 . 1 1 5 5 ASP N N 5 115.270 115.270 116.223 -0.953 25850 2809 1 6 . 1 1 5 5 ASP HA H 5 4.353 4.353 4.278 0.075 25850 2810 1 6 . 1 1 5 5 ASP C C 5 178.915 178.915 178.209 0.706 25850 2811 1 6 . 1 1 5 5 ASP CA C 5 56.796 56.796 57.807 -1.012 25850 2812 1 6 . 1 1 5 5 ASP CB C 5 40.690 40.690 40.651 0.039 25850 2813 1 6 . 1 1 5 5 ASP H H 5 8.233 8.233 8.782 -0.549 25850 2814 1 6 . 1 1 6 6 GLU N N 6 121.390 121.390 118.588 2.802 25850 2815 1 6 . 1 1 6 6 GLU HA H 6 4.027 4.027 4.003 0.024 25850 2816 1 6 . 1 1 6 6 GLU C C 6 178.836 178.836 179.128 -0.292 25850 2817 1 6 . 1 1 6 6 GLU CA C 6 58.594 58.594 58.917 -0.323 25850 2818 1 6 . 1 1 6 6 GLU CB C 6 29.641 29.641 29.250 0.391 25850 2819 1 6 . 1 1 6 6 GLU H H 6 7.770 7.770 7.730 0.040 25850 2820 1 6 . 1 1 7 7 ASN N N 7 119.966 119.966 118.811 1.155 25850 2821 1 6 . 1 1 7 7 ASN HA H 7 4.155 4.155 4.162 -0.007 25850 2822 1 6 . 1 1 7 7 ASN C C 7 176.723 176.723 177.593 -0.870 25850 2823 1 6 . 1 1 7 7 ASN CA C 7 55.007 55.007 55.633 -0.626 25850 2824 1 6 . 1 1 7 7 ASN CB C 7 36.627 36.627 38.036 -1.409 25850 2825 1 6 . 1 1 7 7 ASN H H 7 8.378 8.378 7.938 0.440 25850 2826 1 6 . 1 1 8 8 ILE N N 8 119.915 119.915 121.440 -1.525 25850 2827 1 6 . 1 1 8 8 ILE HA H 8 3.608 3.608 3.662 -0.054 25850 2828 1 6 . 1 1 8 8 ILE CA C 8 66.495 66.495 65.796 0.699 25850 2829 1 6 . 1 1 8 8 ILE CB C 8 37.558 37.558 37.742 -0.184 25850 2830 1 6 . 1 1 8 8 ILE H H 8 8.626 8.626 8.236 0.390 25850 2831 1 6 . 1 1 9 9 ALA N N 9 121.268 121.268 120.815 0.453 25850 2832 1 6 . 1 1 9 9 ALA HA H 9 4.235 4.235 4.006 0.229 25850 2833 1 6 . 1 1 9 9 ALA C C 9 180.624 180.624 179.310 1.314 25850 2834 1 6 . 1 1 9 9 ALA CA C 9 54.922 54.922 55.108 -0.186 25850 2835 1 6 . 1 1 9 9 ALA CB C 9 17.710 17.710 18.054 -0.344 25850 2836 1 6 . 1 1 9 9 ALA H H 9 7.597 7.597 7.814 -0.217 25850 2837 1 6 . 1 1 10 10 LYS N N 10 118.798 118.798 120.100 -1.302 25850 2838 1 6 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.987 0.024 25850 2839 1 6 . 1 1 10 10 LYS C C 10 180.034 180.034 178.903 1.131 25850 2840 1 6 . 1 1 10 10 LYS CA C 10 59.264 59.264 58.396 0.868 25850 2841 1 6 . 1 1 10 10 LYS CB C 10 31.744 31.744 31.891 -0.147 25850 2842 1 6 . 1 1 10 10 LYS H H 10 7.569 7.569 7.458 0.111 25850 2843 1 6 . 1 1 11 11 PHE N N 11 121.394 121.394 117.321 4.073 25850 2844 1 6 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.489 0.239 25850 2845 1 6 . 1 1 11 11 PHE C C 11 178.445 178.445 178.428 0.017 25850 2846 1 6 . 1 1 11 11 PHE CA C 11 59.549 59.549 59.666 -0.117 25850 2847 1 6 . 1 1 11 11 PHE CB C 11 39.001 39.001 38.419 0.582 25850 2848 1 6 . 1 1 11 11 PHE H H 11 8.347 8.347 8.059 0.288 25850 2849 1 6 . 1 1 12 12 GLU N N 12 121.864 121.864 120.651 1.213 25850 2850 1 6 . 1 1 12 12 GLU HA H 12 4.127 4.127 4.120 0.007 25850 2851 1 6 . 1 1 12 12 GLU C C 12 179.600 179.600 178.416 1.184 25850 2852 1 6 . 1 1 12 12 GLU CA C 12 59.803 59.803 58.799 1.004 25850 2853 1 6 . 1 1 12 12 GLU CB C 12 29.488 29.488 29.208 0.280 25850 2854 1 6 . 1 1 12 12 GLU H H 12 9.184 9.184 8.355 0.829 25850 2855 1 6 . 1 1 13 13 LYS N N 13 120.472 120.472 119.953 0.519 25850 2856 1 6 . 1 1 13 13 LYS HA H 13 4.127 4.127 4.160 -0.033 25850 2857 1 6 . 1 1 13 13 LYS C C 13 179.120 179.120 178.713 0.407 25850 2858 1 6 . 1 1 13 13 LYS CA C 13 59.308 59.308 59.316 -0.009 25850 2859 1 6 . 1 1 13 13 LYS CB C 13 32.147 32.147 32.450 -0.303 25850 2860 1 6 . 1 1 13 13 LYS H H 13 7.800 7.800 7.966 -0.166 25850 2861 1 6 . 1 1 14 14 ALA N N 14 122.753 122.753 121.411 1.342 25850 2862 1 6 . 1 1 14 14 ALA HA H 14 4.205 4.205 4.196 0.009 25850 2863 1 6 . 1 1 14 14 ALA C C 14 180.640 180.640 179.639 1.001 25850 2864 1 6 . 1 1 14 14 ALA CA C 14 54.756 54.756 54.778 -0.022 25850 2865 1 6 . 1 1 14 14 ALA CB C 14 17.913 17.913 18.165 -0.252 25850 2866 1 6 . 1 1 14 14 ALA H H 14 8.001 8.001 7.714 0.287 25850 2867 1 6 . 1 1 15 15 TYR HA H 15 3.850 3.850 4.185 -0.335 25850 2868 1 6 . 1 1 15 15 TYR C C 15 175.898 175.898 177.634 -1.736 25850 2869 1 6 . 1 1 15 15 TYR CA C 15 62.008 62.008 60.957 1.051 25850 2870 1 6 . 1 1 15 15 TYR CB C 15 37.756 37.756 38.432 -0.676 25850 2871 1 6 . 1 1 15 15 TYR H H 15 8.906 8.906 7.943 0.963 25850 2872 1 6 . 1 1 16 16 LYS N N 16 119.082 119.082 117.593 1.489 25850 2873 1 6 . 1 1 16 16 LYS HA H 16 3.985 3.985 3.838 0.147 25850 2874 1 6 . 1 1 16 16 LYS C C 16 179.068 179.068 178.762 0.306 25850 2875 1 6 . 1 1 16 16 LYS CA C 16 58.622 58.622 59.638 -1.016 25850 2876 1 6 . 1 1 16 16 LYS CB C 16 32.131 32.131 32.304 -0.173 25850 2877 1 6 . 1 1 16 16 LYS H H 16 8.059 8.059 7.941 0.118 25850 2878 1 6 . 1 1 17 17 LYS N N 17 119.708 119.708 120.306 -0.598 25850 2879 1 6 . 1 1 17 17 LYS HA H 17 4.142 4.142 4.293 -0.151 25850 2880 1 6 . 1 1 17 17 LYS CA C 17 57.951 57.951 58.409 -0.458 25850 2881 1 6 . 1 1 17 17 LYS CB C 17 31.802 31.802 32.105 -0.303 25850 2882 1 6 . 1 1 17 17 LYS H H 17 7.900 7.900 7.827 0.073 25850 2883 1 6 . 1 1 18 18 ALA N N 18 120.860 120.860 121.099 -0.239 25850 2884 1 6 . 1 1 18 18 ALA HA H 18 4.329 4.329 4.050 0.279 25850 2885 1 6 . 1 1 18 18 ALA C C 18 179.572 179.572 179.572 0.000 25850 2886 1 6 . 1 1 18 18 ALA CA C 18 54.110 54.110 55.102 -0.992 25850 2887 1 6 . 1 1 18 18 ALA CB C 18 18.782 18.782 18.037 0.745 25850 2888 1 6 . 1 1 18 18 ALA H H 18 7.854 7.854 7.881 -0.027 25850 2889 1 6 . 1 1 19 19 GLU N N 19 120.904 120.904 119.211 1.693 25850 2890 1 6 . 1 1 19 19 GLU HA H 19 4.240 4.240 3.956 0.284 25850 2891 1 6 . 1 1 19 19 GLU C C 19 180.268 180.268 179.667 0.601 25850 2892 1 6 . 1 1 19 19 GLU CA C 19 59.147 59.147 58.886 0.261 25850 2893 1 6 . 1 1 19 19 GLU CB C 19 29.889 29.889 29.355 0.534 25850 2894 1 6 . 1 1 19 19 GLU H H 19 8.690 8.690 7.719 0.971 25850 2895 1 6 . 1 1 20 20 GLU N N 20 120.868 120.868 119.285 1.583 25850 2896 1 6 . 1 1 20 20 GLU HA H 20 4.024 4.024 4.096 -0.072 25850 2897 1 6 . 1 1 20 20 GLU C C 20 177.975 177.975 178.501 -0.526 25850 2898 1 6 . 1 1 20 20 GLU CA C 20 58.935 58.935 58.707 0.228 25850 2899 1 6 . 1 1 20 20 GLU CB C 20 29.549 29.549 29.616 -0.067 25850 2900 1 6 . 1 1 20 20 GLU H H 20 7.898 7.898 7.611 0.287 25850 2901 1 6 . 1 1 21 21 LEU N N 21 116.701 116.701 117.583 -0.882 25850 2902 1 6 . 1 1 21 21 LEU HA H 21 4.351 4.351 4.249 0.102 25850 2903 1 6 . 1 1 21 21 LEU C C 21 176.199 176.199 176.733 -0.534 25850 2904 1 6 . 1 1 21 21 LEU CA C 21 54.158 54.158 55.299 -1.141 25850 2905 1 6 . 1 1 21 21 LEU CB C 21 41.776 41.776 42.063 -0.287 25850 2906 1 6 . 1 1 21 21 LEU H H 21 7.393 7.393 7.572 -0.179 25850 2907 1 6 . 1 1 22 22 ASN N N 22 118.557 118.557 113.824 4.733 25850 2908 1 6 . 1 1 22 22 ASN HA H 22 4.278 4.278 4.374 -0.096 25850 2909 1 6 . 1 1 22 22 ASN C C 22 174.436 174.436 174.084 0.352 25850 2910 1 6 . 1 1 22 22 ASN CA C 22 54.104 54.104 54.714 -0.610 25850 2911 1 6 . 1 1 22 22 ASN CB C 22 37.364 37.364 36.605 0.759 25850 2912 1 6 . 1 1 22 22 ASN H H 22 7.994 7.994 7.846 0.148 25850 2913 1 6 . 1 1 23 23 GLN N N 23 118.344 118.344 118.421 -0.077 25850 2914 1 6 . 1 1 23 23 GLN HA H 23 4.557 4.557 4.670 -0.113 25850 2915 1 6 . 1 1 23 23 GLN C C 23 176.685 176.685 176.189 0.496 25850 2916 1 6 . 1 1 23 23 GLN CA C 23 53.983 53.983 54.591 -0.608 25850 2917 1 6 . 1 1 23 23 GLN CB C 23 27.770 27.770 29.060 -1.290 25850 2918 1 6 . 1 1 23 23 GLN H H 23 8.378 8.378 7.865 0.513 25850 2919 1 6 . 1 1 24 24 GLY N N 24 113.071 113.071 112.846 0.225 25850 2920 1 6 . 1 1 24 24 GLY C C 24 175.286 175.286 175.041 0.245 25850 2921 1 6 . 1 1 24 24 GLY CA C 24 47.823 47.823 46.552 1.271 25850 2922 1 6 . 1 1 24 24 GLY H H 24 8.468 8.468 8.704 -0.236 25850 2923 1 6 . 1 1 25 25 GLU N N 25 120.717 120.717 122.422 -1.705 25850 2924 1 6 . 1 1 25 25 GLU HA H 25 4.124 4.124 4.052 0.072 25850 2925 1 6 . 1 1 25 25 GLU C C 25 176.495 176.495 178.518 -2.023 25850 2926 1 6 . 1 1 25 25 GLU CA C 25 59.621 59.621 59.599 0.022 25850 2927 1 6 . 1 1 25 25 GLU CB C 25 28.636 28.636 29.709 -1.073 25850 2928 1 6 . 1 1 25 25 GLU H H 25 9.067 9.067 7.951 1.116 25850 2929 1 6 . 1 1 26 26 LEU HA H 26 4.222 4.222 4.091 0.131 25850 2930 1 6 . 1 1 26 26 LEU C C 26 180.590 180.590 179.394 1.196 25850 2931 1 6 . 1 1 26 26 LEU CA C 26 56.882 56.882 57.510 -0.628 25850 2932 1 6 . 1 1 26 26 LEU CB C 26 41.231 41.231 41.951 -0.720 25850 2933 1 6 . 1 1 26 26 LEU H H 26 7.165 7.165 7.492 -0.327 25850 2934 1 6 . 1 1 27 27 MET N N 27 121.053 121.053 117.909 3.144 25850 2935 1 6 . 1 1 27 27 MET HA H 27 3.932 3.932 4.274 -0.342 25850 2936 1 6 . 1 1 27 27 MET CA C 27 59.980 59.980 59.748 0.232 25850 2937 1 6 . 1 1 27 27 MET CB C 27 34.537 34.537 32.328 2.209 25850 2938 1 6 . 1 1 27 27 MET H H 27 8.203 8.203 7.636 0.567 25850 2939 1 6 . 1 1 28 28 GLY N N 28 106.038 106.038 106.841 -0.803 25850 2940 1 6 . 1 1 28 28 GLY C C 28 174.900 174.900 175.588 -0.688 25850 2941 1 6 . 1 1 28 28 GLY CA C 28 47.672 47.672 46.412 1.260 25850 2942 1 6 . 1 1 28 28 GLY H H 28 8.527 8.527 8.334 0.193 25850 2943 1 6 . 1 1 29 29 ARG N N 29 120.201 120.201 121.683 -1.482 25850 2944 1 6 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.285 -0.090 25850 2945 1 6 . 1 1 29 29 ARG C C 29 178.065 178.065 178.504 -0.439 25850 2946 1 6 . 1 1 29 29 ARG CA C 29 59.974 59.974 59.277 0.697 25850 2947 1 6 . 1 1 29 29 ARG CB C 29 30.416 30.416 30.236 0.180 25850 2948 1 6 . 1 1 29 29 ARG H H 29 8.224 8.224 7.730 0.494 25850 2949 1 6 . 1 1 30 30 ALA N N 30 121.394 121.394 123.168 -1.774 25850 2950 1 6 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.099 0.098 25850 2951 1 6 . 1 1 30 30 ALA C C 30 179.433 179.433 179.652 -0.219 25850 2952 1 6 . 1 1 30 30 ALA CA C 30 55.838 55.838 55.210 0.628 25850 2953 1 6 . 1 1 30 30 ALA CB C 30 18.269 18.269 18.237 0.032 25850 2954 1 6 . 1 1 30 30 ALA H H 30 7.876 7.876 8.031 -0.155 25850 2955 1 6 . 1 1 31 31 LEU N N 31 116.122 116.122 118.498 -2.376 25850 2956 1 6 . 1 1 31 31 LEU HA H 31 4.003 4.003 3.857 0.146 25850 2957 1 6 . 1 1 31 31 LEU C C 31 178.416 178.416 179.003 -0.587 25850 2958 1 6 . 1 1 31 31 LEU CA C 31 57.921 57.921 57.593 0.328 25850 2959 1 6 . 1 1 31 31 LEU CB C 31 42.463 42.463 41.796 0.667 25850 2960 1 6 . 1 1 31 31 LEU H H 31 8.084 8.084 7.745 0.339 25850 2961 1 6 . 1 1 32 32 TYR N N 32 119.225 119.225 120.368 -1.143 25850 2962 1 6 . 1 1 32 32 TYR HA H 32 4.063 4.063 4.392 -0.329 25850 2963 1 6 . 1 1 32 32 TYR C C 32 176.310 176.310 177.709 -1.399 25850 2964 1 6 . 1 1 32 32 TYR CA C 32 61.992 61.992 61.501 0.492 25850 2965 1 6 . 1 1 32 32 TYR CB C 32 38.659 38.659 38.590 0.069 25850 2966 1 6 . 1 1 32 32 TYR H H 32 8.562 8.562 8.478 0.084 25850 2967 1 6 . 1 1 33 33 ASN N N 33 116.880 116.880 117.864 -0.984 25850 2968 1 6 . 1 1 33 33 ASN HA H 33 4.068 4.068 4.108 -0.040 25850 2969 1 6 . 1 1 33 33 ASN C C 33 178.353 178.353 177.578 0.775 25850 2970 1 6 . 1 1 33 33 ASN CA C 33 55.858 55.858 55.730 0.128 25850 2971 1 6 . 1 1 33 33 ASN CB C 33 35.968 35.968 37.350 -1.382 25850 2972 1 6 . 1 1 33 33 ASN H H 33 8.213 8.213 8.171 0.042 25850 2973 1 6 . 1 1 34 34 ILE N N 34 121.401 121.401 120.168 1.233 25850 2974 1 6 . 1 1 34 34 ILE HA H 34 3.300 3.300 3.632 -0.332 25850 2975 1 6 . 1 1 34 34 ILE C C 34 177.867 177.867 177.797 0.070 25850 2976 1 6 . 1 1 34 34 ILE CA C 34 66.528 66.528 65.268 1.260 25850 2977 1 6 . 1 1 34 34 ILE CB C 34 37.839 37.839 37.120 0.719 25850 2978 1 6 . 1 1 34 34 ILE H H 34 8.087 8.087 7.943 0.144 25850 2979 1 6 . 1 1 35 35 GLY N N 35 107.275 107.275 107.856 -0.581 25850 2980 1 6 . 1 1 35 35 GLY C C 35 175.048 175.048 175.733 -0.685 25850 2981 1 6 . 1 1 35 35 GLY CA C 35 48.547 48.547 46.924 1.623 25850 2982 1 6 . 1 1 35 35 GLY H H 35 7.922 7.922 7.936 -0.014 25850 2983 1 6 . 1 1 36 36 LEU N N 36 120.414 120.414 121.627 -1.213 25850 2984 1 6 . 1 1 36 36 LEU HA H 36 4.048 4.048 4.023 0.025 25850 2985 1 6 . 1 1 36 36 LEU C C 36 180.804 180.804 179.175 1.629 25850 2986 1 6 . 1 1 36 36 LEU CA C 36 58.063 58.063 57.513 0.550 25850 2987 1 6 . 1 1 36 36 LEU CB C 36 41.701 41.701 41.564 0.137 25850 2988 1 6 . 1 1 36 36 LEU H H 36 8.177 8.177 7.533 0.644 25850 2989 1 6 . 1 1 37 37 GLU N N 37 120.083 120.083 119.039 1.044 25850 2990 1 6 . 1 1 37 37 GLU HA H 37 4.075 4.075 4.083 -0.008 25850 2991 1 6 . 1 1 37 37 GLU C C 37 179.517 179.517 179.331 0.186 25850 2992 1 6 . 1 1 37 37 GLU CA C 37 58.603 58.603 58.934 -0.331 25850 2993 1 6 . 1 1 37 37 GLU CB C 37 29.799 29.799 28.919 0.880 25850 2994 1 6 . 1 1 37 37 GLU H H 37 7.750 7.750 7.837 -0.087 25850 2995 1 6 . 1 1 38 38 LYS N N 38 118.263 118.263 118.792 -0.529 25850 2996 1 6 . 1 1 38 38 LYS HA H 38 3.862 3.862 4.070 -0.208 25850 2997 1 6 . 1 1 38 38 LYS C C 38 179.253 179.253 178.635 0.618 25850 2998 1 6 . 1 1 38 38 LYS CA C 38 57.937 57.937 58.210 -0.273 25850 2999 1 6 . 1 1 38 38 LYS CB C 38 30.769 30.769 31.949 -1.180 25850 3000 1 6 . 1 1 38 38 LYS H H 38 8.550 8.550 7.781 0.769 25850 3001 1 6 . 1 1 39 39 ASN N N 39 118.329 118.329 117.927 0.402 25850 3002 1 6 . 1 1 39 39 ASN HA H 39 4.193 4.193 4.552 -0.359 25850 3003 1 6 . 1 1 39 39 ASN C C 39 179.428 179.428 177.984 1.444 25850 3004 1 6 . 1 1 39 39 ASN CA C 39 56.177 56.177 55.990 0.187 25850 3005 1 6 . 1 1 39 39 ASN CB C 39 38.478 38.478 38.523 -0.045 25850 3006 1 6 . 1 1 39 39 ASN H H 39 8.294 8.294 8.186 0.108 25850 3007 1 6 . 1 1 40 40 LYS N N 40 121.176 121.176 118.904 2.272 25850 3008 1 6 . 1 1 40 40 LYS HA H 40 4.047 4.047 4.207 -0.160 25850 3009 1 6 . 1 1 40 40 LYS C C 40 178.229 178.229 177.958 0.271 25850 3010 1 6 . 1 1 40 40 LYS CA C 40 59.471 59.471 58.695 0.776 25850 3011 1 6 . 1 1 40 40 LYS CB C 40 32.427 32.427 32.032 0.395 25850 3012 1 6 . 1 1 40 40 LYS H H 40 7.912 7.912 7.815 0.097 25850 3013 1 6 . 1 1 41 41 MET N N 41 114.548 114.548 118.119 -3.571 25850 3014 1 6 . 1 1 41 41 MET HA H 41 4.512 4.512 4.422 0.090 25850 3015 1 6 . 1 1 41 41 MET C C 41 175.915 175.915 176.890 -0.975 25850 3016 1 6 . 1 1 41 41 MET CA C 41 55.529 55.529 55.627 -0.098 25850 3017 1 6 . 1 1 41 41 MET CB C 41 34.022 34.022 32.811 1.211 25850 3018 1 6 . 1 1 41 41 MET H H 41 7.389 7.389 7.670 -0.281 25850 3019 1 6 . 1 1 42 42 GLY N N 42 107.409 107.409 107.387 0.022 25850 3020 1 6 . 1 1 42 42 GLY C C 42 175.041 175.041 174.696 0.345 25850 3021 1 6 . 1 1 42 42 GLY CA C 42 45.335 45.335 45.045 0.290 25850 3022 1 6 . 1 1 42 42 GLY H H 42 7.929 7.929 7.694 0.235 25850 3023 1 6 . 1 1 43 43 LYS N N 43 124.326 124.326 122.481 1.845 25850 3024 1 6 . 1 1 43 43 LYS HA H 43 4.684 4.684 4.428 0.256 25850 3025 1 6 . 1 1 43 43 LYS C C 43 176.514 176.514 176.036 0.478 25850 3026 1 6 . 1 1 43 43 LYS CA C 43 53.791 53.791 55.346 -1.555 25850 3027 1 6 . 1 1 43 43 LYS CB C 43 30.065 30.065 30.651 -0.586 25850 3028 1 6 . 1 1 43 43 LYS H H 43 8.040 8.040 7.860 0.180 25850 3029 1 6 . 1 1 44 44 VAL N N 44 121.020 121.020 121.521 -0.501 25850 3030 1 6 . 1 1 44 44 VAL HA H 44 3.580 3.580 3.620 -0.041 25850 3031 1 6 . 1 1 44 44 VAL C C 44 177.096 177.096 177.581 -0.485 25850 3032 1 6 . 1 1 44 44 VAL CA C 44 66.166 66.166 66.099 0.067 25850 3033 1 6 . 1 1 44 44 VAL CB C 44 31.869 31.869 31.708 0.161 25850 3034 1 6 . 1 1 44 44 VAL H H 44 7.439 7.439 7.754 -0.315 25850 3035 1 6 . 1 1 45 45 LYS N N 45 119.164 119.164 119.977 -0.813 25850 3036 1 6 . 1 1 45 45 LYS HA H 45 3.950 3.950 3.972 -0.022 25850 3037 1 6 . 1 1 45 45 LYS C C 45 179.726 179.726 178.683 1.043 25850 3038 1 6 . 1 1 45 45 LYS CA C 45 60.153 60.153 59.571 0.582 25850 3039 1 6 . 1 1 45 45 LYS CB C 45 31.446 31.446 31.471 -0.025 25850 3040 1 6 . 1 1 45 45 LYS H H 45 8.427 8.427 8.462 -0.035 25850 3041 1 6 . 1 1 46 46 GLU N N 46 118.446 118.446 119.389 -0.943 25850 3042 1 6 . 1 1 46 46 GLU HA H 46 4.092 4.092 4.181 -0.089 25850 3043 1 6 . 1 1 46 46 GLU C C 46 178.490 178.490 178.556 -0.066 25850 3044 1 6 . 1 1 46 46 GLU CA C 46 59.327 59.327 59.334 -0.007 25850 3045 1 6 . 1 1 46 46 GLU CB C 46 29.764 29.764 29.449 0.315 25850 3046 1 6 . 1 1 46 46 GLU H H 46 7.867 7.867 8.432 -0.565 25850 3047 1 6 . 1 1 47 47 ALA N N 47 122.279 122.279 122.697 -0.418 25850 3048 1 6 . 1 1 47 47 ALA HA H 47 3.513 3.513 3.746 -0.233 25850 3049 1 6 . 1 1 47 47 ALA C C 47 178.065 178.065 178.927 -0.862 25850 3050 1 6 . 1 1 47 47 ALA CA C 47 55.905 55.905 54.854 1.051 25850 3051 1 6 . 1 1 47 47 ALA CB C 47 18.256 18.256 17.974 0.281 25850 3052 1 6 . 1 1 47 47 ALA H H 47 8.315 8.315 7.709 0.606 25850 3053 1 6 . 1 1 48 48 ILE N N 48 115.863 115.863 118.212 -2.349 25850 3054 1 6 . 1 1 48 48 ILE HA H 48 3.401 3.401 3.390 0.011 25850 3055 1 6 . 1 1 48 48 ILE C C 48 176.808 176.808 177.958 -1.150 25850 3056 1 6 . 1 1 48 48 ILE CA C 48 66.282 66.282 65.391 0.891 25850 3057 1 6 . 1 1 48 48 ILE CB C 48 38.375 38.375 37.593 0.782 25850 3058 1 6 . 1 1 48 48 ILE H H 48 8.077 8.077 7.480 0.597 25850 3059 1 6 . 1 1 49 49 GLU N N 49 116.853 116.853 119.189 -2.336 25850 3060 1 6 . 1 1 49 49 GLU HA H 49 3.920 3.920 3.775 0.145 25850 3061 1 6 . 1 1 49 49 GLU C C 49 179.914 179.914 179.086 0.828 25850 3062 1 6 . 1 1 49 49 GLU CA C 49 59.535 59.535 59.769 -0.234 25850 3063 1 6 . 1 1 49 49 GLU CB C 49 28.995 28.995 29.250 -0.255 25850 3064 1 6 . 1 1 49 49 GLU H H 49 7.175 7.175 7.500 -0.325 25850 3065 1 6 . 1 1 50 50 TYR N N 50 117.578 117.578 118.728 -1.150 25850 3066 1 6 . 1 1 50 50 TYR HA H 50 3.774 3.774 4.192 -0.418 25850 3067 1 6 . 1 1 50 50 TYR C C 50 178.462 178.462 178.373 0.089 25850 3068 1 6 . 1 1 50 50 TYR CA C 50 64.368 64.368 61.389 2.979 25850 3069 1 6 . 1 1 50 50 TYR CB C 50 37.345 37.345 38.206 -0.861 25850 3070 1 6 . 1 1 50 50 TYR H H 50 7.676 7.676 7.650 0.026 25850 3071 1 6 . 1 1 51 51 PHE N N 51 119.480 119.480 117.902 1.578 25850 3072 1 6 . 1 1 51 51 PHE HA H 51 4.711 4.711 4.495 0.216 25850 3073 1 6 . 1 1 51 51 PHE C C 51 178.720 178.720 178.091 0.629 25850 3074 1 6 . 1 1 51 51 PHE CA C 51 58.958 58.958 59.272 -0.314 25850 3075 1 6 . 1 1 51 51 PHE CB C 51 37.771 37.771 37.961 -0.189 25850 3076 1 6 . 1 1 51 51 PHE H H 51 9.013 9.013 8.171 0.842 25850 3077 1 6 . 1 1 52 52 LEU N N 52 120.365 120.365 120.746 -0.381 25850 3078 1 6 . 1 1 52 52 LEU HA H 52 4.093 4.093 4.033 0.060 25850 3079 1 6 . 1 1 52 52 LEU C C 52 180.229 180.229 179.021 1.208 25850 3080 1 6 . 1 1 52 52 LEU CA C 52 58.252 58.252 58.435 -0.183 25850 3081 1 6 . 1 1 52 52 LEU CB C 52 42.160 42.160 41.557 0.603 25850 3082 1 6 . 1 1 52 52 LEU H H 52 8.906 8.906 8.524 0.382 25850 3083 1 6 . 1 1 53 53 ARG N N 53 119.294 119.294 118.868 0.426 25850 3084 1 6 . 1 1 53 53 ARG HA H 53 3.929 3.929 3.991 -0.062 25850 3085 1 6 . 1 1 53 53 ARG C C 53 179.087 179.087 178.634 0.453 25850 3086 1 6 . 1 1 53 53 ARG CA C 53 59.580 59.580 59.648 -0.068 25850 3087 1 6 . 1 1 53 53 ARG CB C 53 31.418 31.418 29.960 1.458 25850 3088 1 6 . 1 1 53 53 ARG H H 53 7.846 7.846 8.068 -0.222 25850 3089 1 6 . 1 1 54 54 ALA N N 54 121.351 121.351 122.187 -0.836 25850 3090 1 6 . 1 1 54 54 ALA HA H 54 3.693 3.693 3.915 -0.222 25850 3091 1 6 . 1 1 54 54 ALA C C 54 177.631 177.631 178.904 -1.273 25850 3092 1 6 . 1 1 54 54 ALA CA C 54 55.115 55.115 55.363 -0.248 25850 3093 1 6 . 1 1 54 54 ALA CB C 54 17.612 17.612 18.495 -0.883 25850 3094 1 6 . 1 1 54 54 ALA H H 54 8.892 8.892 8.336 0.556 25850 3095 1 6 . 1 1 55 55 LYS N N 55 117.135 117.135 119.004 -1.869 25850 3096 1 6 . 1 1 55 55 LYS HA H 55 3.835 3.835 4.278 -0.443 25850 3097 1 6 . 1 1 55 55 LYS C C 55 176.970 176.970 178.679 -1.709 25850 3098 1 6 . 1 1 55 55 LYS CA C 55 60.725 60.725 59.640 1.085 25850 3099 1 6 . 1 1 55 55 LYS CB C 55 32.602 32.602 32.376 0.226 25850 3100 1 6 . 1 1 55 55 LYS H H 55 8.626 8.626 8.057 0.569 25850 3101 1 6 . 1 1 56 56 LYS N N 56 116.695 116.695 119.566 -2.871 25850 3102 1 6 . 1 1 56 56 LYS HA H 56 4.171 4.171 4.084 0.087 25850 3103 1 6 . 1 1 56 56 LYS C C 56 180.037 180.037 179.056 0.981 25850 3104 1 6 . 1 1 56 56 LYS CA C 56 59.606 59.606 59.621 -0.015 25850 3105 1 6 . 1 1 56 56 LYS CB C 56 32.349 32.349 32.399 -0.050 25850 3106 1 6 . 1 1 56 56 LYS H H 56 7.652 7.652 7.802 -0.150 25850 3107 1 6 . 1 1 57 57 VAL N N 57 120.809 120.809 118.840 1.969 25850 3108 1 6 . 1 1 57 57 VAL HA H 57 3.753 3.753 3.724 0.029 25850 3109 1 6 . 1 1 57 57 VAL C C 57 178.174 178.174 178.033 0.141 25850 3110 1 6 . 1 1 57 57 VAL CA C 57 66.226 66.226 66.040 0.186 25850 3111 1 6 . 1 1 57 57 VAL CB C 57 31.424 31.424 31.427 -0.003 25850 3112 1 6 . 1 1 57 57 VAL H H 57 7.583 7.583 7.386 0.197 25850 3113 1 6 . 1 1 58 58 PHE N N 58 118.864 118.864 119.371 -0.507 25850 3114 1 6 . 1 1 58 58 PHE HA H 58 4.521 4.521 4.063 0.458 25850 3115 1 6 . 1 1 58 58 PHE C C 58 179.187 179.187 177.821 1.366 25850 3116 1 6 . 1 1 58 58 PHE CA C 58 59.849 59.849 61.525 -1.676 25850 3117 1 6 . 1 1 58 58 PHE CB C 58 37.753 37.753 37.905 -0.152 25850 3118 1 6 . 1 1 58 58 PHE H H 58 8.871 8.871 8.380 0.491 25850 3119 1 6 . 1 1 59 59 ASP N N 59 119.714 119.714 119.720 -0.006 25850 3120 1 6 . 1 1 59 59 ASP HA H 59 4.444 4.444 4.370 0.074 25850 3121 1 6 . 1 1 59 59 ASP C C 59 180.066 180.066 178.353 1.713 25850 3122 1 6 . 1 1 59 59 ASP CA C 59 57.201 57.201 57.345 -0.144 25850 3123 1 6 . 1 1 59 59 ASP CB C 59 39.713 39.713 40.870 -1.157 25850 3124 1 6 . 1 1 59 59 ASP H H 59 9.157 9.157 8.126 1.031 25850 3125 1 6 . 1 1 60 60 ALA N N 60 124.290 124.290 120.987 3.303 25850 3126 1 6 . 1 1 60 60 ALA HA H 60 4.087 4.087 3.956 0.131 25850 3127 1 6 . 1 1 60 60 ALA C C 60 179.389 179.389 179.173 0.216 25850 3128 1 6 . 1 1 60 60 ALA CA C 60 54.760 54.760 54.225 0.535 25850 3129 1 6 . 1 1 60 60 ALA CB C 60 18.025 18.025 18.658 -0.633 25850 3130 1 6 . 1 1 60 60 ALA H H 60 7.742 7.742 7.344 0.398 25850 3131 1 6 . 1 1 61 61 GLU N N 61 114.493 114.493 115.265 -0.772 25850 3132 1 6 . 1 1 61 61 GLU HA H 61 4.259 4.259 4.123 0.136 25850 3133 1 6 . 1 1 61 61 GLU C C 61 175.970 175.970 176.792 -0.822 25850 3134 1 6 . 1 1 61 61 GLU CA C 61 55.049 55.049 56.274 -1.225 25850 3135 1 6 . 1 1 61 61 GLU CB C 61 29.724 29.724 30.040 -0.316 25850 3136 1 6 . 1 1 61 61 GLU H H 61 7.908 7.908 7.684 0.224 25850 3137 1 6 . 1 1 62 62 HIS N N 62 115.130 115.130 113.707 1.423 25850 3138 1 6 . 1 1 62 62 HIS HA H 62 4.264 4.264 4.278 -0.014 25850 3139 1 6 . 1 1 62 62 HIS C C 62 173.916 173.916 174.112 -0.196 25850 3140 1 6 . 1 1 62 62 HIS CA C 62 56.531 56.531 56.797 -0.267 25850 3141 1 6 . 1 1 62 62 HIS CB C 62 26.039 26.039 26.962 -0.923 25850 3142 1 6 . 1 1 62 62 HIS H H 62 7.830 7.830 7.572 0.258 25850 3143 1 6 . 1 1 63 63 ASP N N 63 118.507 118.507 120.198 -1.691 25850 3144 1 6 . 1 1 63 63 ASP HA H 63 4.854 4.854 4.807 0.047 25850 3145 1 6 . 1 1 63 63 ASP C C 63 176.143 176.143 176.501 -0.358 25850 3146 1 6 . 1 1 63 63 ASP CA C 63 52.127 52.127 52.779 -0.652 25850 3147 1 6 . 1 1 63 63 ASP CB C 63 40.068 40.068 40.498 -0.430 25850 3148 1 6 . 1 1 63 63 ASP H H 63 8.521 8.521 8.168 0.353 25850 3149 1 6 . 1 1 64 64 THR N N 64 119.037 119.037 120.563 -1.526 25850 3150 1 6 . 1 1 64 64 THR HA H 64 3.869 3.869 3.971 -0.102 25850 3151 1 6 . 1 1 64 64 THR C C 64 176.814 176.814 175.495 1.319 25850 3152 1 6 . 1 1 64 64 THR CA C 64 65.198 65.198 65.607 -0.409 25850 3153 1 6 . 1 1 64 64 THR CB C 64 68.315 68.315 69.003 -0.688 25850 3154 1 6 . 1 1 64 64 THR H H 64 7.907 7.907 7.941 -0.034 25850 3155 1 6 . 1 1 65 65 ASP N N 65 122.892 122.892 120.654 2.238 25850 3156 1 6 . 1 1 65 65 ASP HA H 65 4.287 4.287 4.362 -0.075 25850 3157 1 6 . 1 1 65 65 ASP C C 65 178.326 178.326 177.940 0.386 25850 3158 1 6 . 1 1 65 65 ASP CA C 65 57.350 57.350 57.355 -0.005 25850 3159 1 6 . 1 1 65 65 ASP CB C 65 41.121 41.121 40.318 0.803 25850 3160 1 6 . 1 1 65 65 ASP H H 65 8.375 8.375 8.318 0.057 25850 3161 1 6 . 1 1 66 66 GLY N N 66 109.334 109.334 106.545 2.789 25850 3162 1 6 . 1 1 66 66 GLY C C 66 175.861 175.861 174.938 0.923 25850 3163 1 6 . 1 1 66 66 GLY CA C 66 46.136 46.136 45.427 0.709 25850 3164 1 6 . 1 1 66 66 GLY H H 66 8.234 8.234 7.276 0.958 25850 3165 1 6 . 1 1 67 67 ALA N N 67 122.888 122.888 124.994 -2.106 25850 3166 1 6 . 1 1 67 67 ALA HA H 67 3.892 3.892 3.972 -0.080 25850 3167 1 6 . 1 1 67 67 ALA C C 67 179.384 179.384 179.042 0.342 25850 3168 1 6 . 1 1 67 67 ALA CA C 67 55.960 55.960 54.746 1.214 25850 3169 1 6 . 1 1 67 67 ALA CB C 67 18.611 18.611 18.662 -0.051 25850 3170 1 6 . 1 1 67 67 ALA H H 67 7.949 7.949 7.793 0.157 25850 3171 1 6 . 1 1 68 68 ARG N N 68 118.221 118.221 117.286 0.935 25850 3172 1 6 . 1 1 68 68 ARG HA H 68 3.993 3.993 4.026 -0.033 25850 3173 1 6 . 1 1 68 68 ARG C C 68 179.355 179.355 178.318 1.037 25850 3174 1 6 . 1 1 68 68 ARG CA C 68 59.234 59.234 58.838 0.396 25850 3175 1 6 . 1 1 68 68 ARG CB C 68 29.799 29.799 29.716 0.083 25850 3176 1 6 . 1 1 68 68 ARG H H 68 7.917 7.917 7.763 0.154 25850 3177 1 6 . 1 1 69 69 ARG N N 69 120.551 120.551 119.881 0.670 25850 3178 1 6 . 1 1 69 69 ARG HA H 69 3.923 3.923 3.922 0.001 25850 3179 1 6 . 1 1 69 69 ARG C C 69 179.120 179.120 178.214 0.906 25850 3180 1 6 . 1 1 69 69 ARG CA C 69 59.310 59.310 58.146 1.164 25850 3181 1 6 . 1 1 69 69 ARG CB C 69 29.189 29.189 28.836 0.353 25850 3182 1 6 . 1 1 69 69 ARG H H 69 7.749 7.749 7.722 0.027 25850 3183 1 6 . 1 1 70 70 ALA N N 70 121.098 121.098 121.307 -0.209 25850 3184 1 6 . 1 1 70 70 ALA HA H 70 4.016 4.016 4.110 -0.094 25850 3185 1 6 . 1 1 70 70 ALA C C 70 178.438 178.438 179.544 -1.106 25850 3186 1 6 . 1 1 70 70 ALA CA C 70 55.536 55.536 54.803 0.733 25850 3187 1 6 . 1 1 70 70 ALA CB C 70 17.216 17.216 18.396 -1.180 25850 3188 1 6 . 1 1 70 70 ALA H H 70 8.245 8.245 7.842 0.403 25850 3189 1 6 . 1 1 71 71 ALA N N 71 119.333 119.333 120.388 -1.055 25850 3190 1 6 . 1 1 71 71 ALA HA H 71 4.047 4.047 4.108 -0.061 25850 3191 1 6 . 1 1 71 71 ALA C C 71 180.219 180.219 179.852 0.367 25850 3192 1 6 . 1 1 71 71 ALA CA C 71 55.083 55.083 54.968 0.115 25850 3193 1 6 . 1 1 71 71 ALA CB C 71 18.198 18.198 18.296 -0.098 25850 3194 1 6 . 1 1 71 71 ALA H H 71 8.565 8.565 7.691 0.874 25850 3195 1 6 . 1 1 72 72 LYS N N 72 121.188 121.188 118.993 2.195 25850 3196 1 6 . 1 1 72 72 LYS HA H 72 4.107 4.107 4.039 0.068 25850 3197 1 6 . 1 1 72 72 LYS C C 72 179.155 179.155 178.998 0.157 25850 3198 1 6 . 1 1 72 72 LYS CA C 72 59.271 59.271 59.508 -0.237 25850 3199 1 6 . 1 1 72 72 LYS CB C 72 31.786 31.786 32.538 -0.752 25850 3200 1 6 . 1 1 72 72 LYS H H 72 8.108 8.108 8.287 -0.179 25850 3201 1 6 . 1 1 73 73 SER N N 73 116.976 116.976 115.618 1.358 25850 3202 1 6 . 1 1 73 73 SER HA H 73 3.957 3.957 4.216 -0.259 25850 3203 1 6 . 1 1 73 73 SER C C 73 176.394 176.394 176.547 -0.153 25850 3204 1 6 . 1 1 73 73 SER CA C 73 62.753 62.753 61.085 1.668 25850 3205 1 6 . 1 1 73 73 SER CB C 73 60.718 60.718 62.254 -1.536 25850 3206 1 6 . 1 1 73 73 SER H H 73 8.057 8.057 7.868 0.189 25850 3207 1 6 . 1 1 74 74 LEU N N 74 123.741 123.741 123.389 0.352 25850 3208 1 6 . 1 1 74 74 LEU HA H 74 3.831 3.831 3.931 -0.100 25850 3209 1 6 . 1 1 74 74 LEU C C 74 176.704 176.704 178.674 -1.970 25850 3210 1 6 . 1 1 74 74 LEU CA C 74 58.545 58.545 57.984 0.561 25850 3211 1 6 . 1 1 74 74 LEU CB C 74 41.862 41.862 41.592 0.270 25850 3212 1 6 . 1 1 74 74 LEU H H 74 8.341 8.341 8.121 0.220 25850 3213 1 6 . 1 1 75 75 SER N N 75 113.508 113.508 114.647 -1.139 25850 3214 1 6 . 1 1 75 75 SER HA H 75 4.277 4.277 4.269 0.008 25850 3215 1 6 . 1 1 75 75 SER C C 75 177.668 177.668 176.941 0.727 25850 3216 1 6 . 1 1 75 75 SER CA C 75 61.926 61.926 61.910 0.016 25850 3217 1 6 . 1 1 75 75 SER CB C 75 62.702 62.702 62.828 -0.126 25850 3218 1 6 . 1 1 75 75 SER H H 75 8.055 8.055 7.945 0.110 25850 3219 1 6 . 1 1 76 76 GLU N N 76 119.999 119.999 121.053 -1.054 25850 3220 1 6 . 1 1 76 76 GLU HA H 76 4.041 4.041 4.437 -0.396 25850 3221 1 6 . 1 1 76 76 GLU C C 76 178.836 178.836 178.996 -0.160 25850 3222 1 6 . 1 1 76 76 GLU CA C 76 58.928 58.928 59.023 -0.095 25850 3223 1 6 . 1 1 76 76 GLU CB C 76 29.684 29.684 29.656 0.028 25850 3224 1 6 . 1 1 76 76 GLU H H 76 7.874 7.874 7.846 0.028 25850 3225 1 6 . 1 1 77 77 ALA N N 77 123.551 123.551 122.958 0.593 25850 3226 1 6 . 1 1 77 77 ALA HA H 77 4.242 4.242 4.105 0.137 25850 3227 1 6 . 1 1 77 77 ALA C C 77 180.005 180.005 179.621 0.384 25850 3228 1 6 . 1 1 77 77 ALA CA C 77 55.031 55.031 54.746 0.284 25850 3229 1 6 . 1 1 77 77 ALA CB C 77 18.237 18.237 18.403 -0.166 25850 3230 1 6 . 1 1 77 77 ALA H H 77 8.043 8.043 7.679 0.364 25850 3231 1 6 . 1 1 78 78 TYR N N 78 116.371 116.371 117.914 -1.543 25850 3232 1 6 . 1 1 78 78 TYR HA H 78 4.418 4.418 4.150 0.268 25850 3233 1 6 . 1 1 78 78 TYR C C 78 178.901 178.901 178.676 0.225 25850 3234 1 6 . 1 1 78 78 TYR CA C 78 60.302 60.302 61.121 -0.819 25850 3235 1 6 . 1 1 78 78 TYR CB C 78 37.416 37.416 37.558 -0.142 25850 3236 1 6 . 1 1 78 78 TYR H H 78 8.699 8.699 8.386 0.313 25850 3237 1 6 . 1 1 79 79 GLN N N 79 116.649 116.649 118.842 -2.193 25850 3238 1 6 . 1 1 79 79 GLN HA H 79 4.212 4.212 4.077 0.135 25850 3239 1 6 . 1 1 79 79 GLN C C 79 177.778 177.778 177.538 0.240 25850 3240 1 6 . 1 1 79 79 GLN CA C 79 57.922 57.922 58.792 -0.870 25850 3241 1 6 . 1 1 79 79 GLN CB C 79 28.659 28.659 28.447 0.212 25850 3242 1 6 . 1 1 79 79 GLN H H 79 7.667 7.667 7.939 -0.272 25850 3243 1 6 . 1 1 80 80 LYS N N 80 118.855 118.855 116.647 2.208 25850 3244 1 6 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.137 0.156 25850 3245 1 6 . 1 1 80 80 LYS C C 80 178.038 178.038 177.940 0.098 25850 3246 1 6 . 1 1 80 80 LYS CA C 80 57.474 57.474 58.571 -1.097 25850 3247 1 6 . 1 1 80 80 LYS CB C 80 32.816 32.816 32.736 0.080 25850 3248 1 6 . 1 1 80 80 LYS H H 80 7.766 7.766 7.516 0.250 25850 3249 1 6 . 1 1 81 81 VAL N N 81 117.863 117.863 116.917 0.946 25850 3250 1 6 . 1 1 81 81 VAL HA H 81 4.076 4.076 3.887 0.189 25850 3251 1 6 . 1 1 81 81 VAL C C 81 176.805 176.805 176.567 0.238 25850 3252 1 6 . 1 1 81 81 VAL CA C 81 63.409 63.409 64.298 -0.889 25850 3253 1 6 . 1 1 81 81 VAL CB C 81 32.423 32.423 31.834 0.589 25850 3254 1 6 . 1 1 81 81 VAL H H 81 7.821 7.821 7.474 0.347 25850 3255 1 6 . 1 1 82 82 GLU N N 82 122.552 122.552 119.697 2.855 25850 3256 1 6 . 1 1 82 82 GLU HA H 82 4.277 4.277 4.162 0.115 25850 3257 1 6 . 1 1 82 82 GLU C C 82 177.559 177.559 177.453 0.106 25850 3258 1 6 . 1 1 82 82 GLU CA C 82 57.300 57.300 57.690 -0.390 25850 3259 1 6 . 1 1 82 82 GLU CB C 82 29.927 29.927 29.813 0.114 25850 3260 1 6 . 1 1 82 82 GLU H H 82 8.329 8.329 7.584 0.745 25850 3261 1 6 . 1 1 83 83 GLY N N 83 109.040 109.040 111.234 -2.194 25850 3262 1 6 . 1 1 83 83 GLY C C 83 174.590 174.590 174.329 0.261 25850 3263 1 6 . 1 1 83 83 GLY CA C 83 45.530 45.530 44.800 0.730 25850 3264 1 6 . 1 1 83 83 GLY H H 83 8.309 8.309 8.644 -0.335 25850 3265 1 6 . 1 1 84 84 SER N N 84 115.258 115.258 115.642 -0.384 25850 3266 1 6 . 1 1 84 84 SER HA H 84 4.495 4.495 4.212 0.283 25850 3267 1 6 . 1 1 84 84 SER C C 84 175.217 175.217 175.002 0.215 25850 3268 1 6 . 1 1 84 84 SER CA C 84 58.580 58.580 59.341 -0.761 25850 3269 1 6 . 1 1 84 84 SER CB C 84 63.827 63.827 63.645 0.182 25850 3270 1 6 . 1 1 84 84 SER H H 84 8.180 8.180 7.930 0.250 25850 3271 1 6 . 1 1 85 85 GLY N N 85 110.681 110.681 109.493 1.188 25850 3272 1 6 . 1 1 85 85 GLY C C 85 174.063 174.063 173.517 0.546 25850 3273 1 6 . 1 1 85 85 GLY CA C 85 45.395 45.395 44.629 0.766 25850 3274 1 6 . 1 1 85 85 GLY H H 85 8.472 8.472 8.397 0.075 25850 3275 1 6 . 1 1 86 86 ASP N N 86 120.537 120.537 119.198 1.339 25850 3276 1 6 . 1 1 86 86 ASP HA H 86 4.597 4.597 4.550 0.047 25850 3277 1 6 . 1 1 86 86 ASP C C 86 176.761 176.761 176.234 0.527 25850 3278 1 6 . 1 1 86 86 ASP CA C 86 54.451 54.451 54.230 0.221 25850 3279 1 6 . 1 1 86 86 ASP CB C 86 41.069 41.069 41.204 -0.135 25850 3280 1 6 . 1 1 86 86 ASP H H 86 8.272 8.272 8.391 -0.119 25850 3281 1 6 . 1 1 87 87 LYS N N 87 121.608 121.608 119.744 1.864 25850 3282 1 6 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.084 0.162 25850 3283 1 6 . 1 1 87 87 LYS C C 87 177.342 177.342 174.949 2.393 25850 3284 1 6 . 1 1 87 87 LYS CA C 87 56.545 56.545 56.569 -0.024 25850 3285 1 6 . 1 1 87 87 LYS CB C 87 32.302 32.302 32.167 0.135 25850 3286 1 6 . 1 1 87 87 LYS H H 87 8.344 8.344 8.390 -0.046 25850 3287 1 6 . 1 1 88 88 GLY N N 88 108.711 108.711 106.883 1.828 25850 3288 1 6 . 1 1 88 88 GLY C C 88 174.216 174.216 173.839 0.377 25850 3289 1 6 . 1 1 88 88 GLY CA C 88 45.339 45.339 44.509 0.830 25850 3290 1 6 . 1 1 88 88 GLY H H 88 8.449 8.449 8.203 0.246 25850 3291 1 6 . 1 1 89 89 LYS N N 89 120.508 120.508 121.472 -0.964 25850 3292 1 6 . 1 1 89 89 LYS HA H 89 4.266 4.266 3.947 0.319 25850 3293 1 6 . 1 1 89 89 LYS C C 89 176.464 176.464 175.604 0.860 25850 3294 1 6 . 1 1 89 89 LYS CA C 89 56.214 56.214 57.148 -0.934 25850 3295 1 6 . 1 1 89 89 LYS CB C 89 32.824 32.824 32.216 0.608 25850 3296 1 6 . 1 1 89 89 LYS H H 89 7.958 7.958 8.470 -0.512 25850 3297 1 6 . 1 1 90 90 ILE N N 90 121.127 121.127 115.039 6.088 25850 3298 1 6 . 1 1 90 90 ILE HA H 90 4.091 4.091 4.454 -0.363 25850 3299 1 6 . 1 1 90 90 ILE C C 90 175.896 175.896 175.368 0.528 25850 3300 1 6 . 1 1 90 90 ILE CA C 90 61.022 61.022 60.389 0.633 25850 3301 1 6 . 1 1 90 90 ILE CB C 90 38.488 38.488 37.108 1.380 25850 3302 1 6 . 1 1 90 90 ILE H H 90 8.005 8.005 8.058 -0.053 25850 3303 1 6 . 1 1 91 91 PHE N N 91 123.843 123.843 125.308 -1.465 25850 3304 1 6 . 1 1 91 91 PHE HA H 91 4.615 4.615 4.383 0.232 25850 3305 1 6 . 1 1 91 91 PHE C C 91 175.327 175.327 175.229 0.098 25850 3306 1 6 . 1 1 91 91 PHE CA C 91 57.565 57.565 58.664 -1.099 25850 3307 1 6 . 1 1 91 91 PHE CB C 91 39.457 39.457 39.581 -0.124 25850 3308 1 6 . 1 1 91 91 PHE H H 91 8.283 8.283 7.970 0.313 25850 3309 1 6 . 1 1 92 92 GLN N N 92 122.349 122.349 125.791 -3.442 25850 3310 1 6 . 1 1 92 92 GLN HA H 92 4.296 4.296 4.225 0.071 25850 3311 1 6 . 1 1 92 92 GLN C C 92 175.338 175.338 174.476 0.862 25850 3312 1 6 . 1 1 92 92 GLN CA C 92 55.492 55.492 54.308 1.184 25850 3313 1 6 . 1 1 92 92 GLN CB C 92 29.708 29.708 29.720 -0.012 25850 3314 1 6 . 1 1 92 92 GLN H H 92 8.212 8.212 7.985 0.227 25850 3315 1 6 . 1 1 93 93 LYS N N 93 123.137 123.137 124.171 -1.034 25850 3316 1 6 . 1 1 93 93 LYS HA H 93 4.250 4.250 3.949 0.301 25850 3317 1 6 . 1 1 93 93 LYS C C 93 176.492 176.492 175.970 0.522 25850 3318 1 6 . 1 1 93 93 LYS CA C 93 56.272 56.272 56.328 -0.056 25850 3319 1 6 . 1 1 93 93 LYS CB C 93 33.055 33.055 32.922 0.133 25850 3320 1 6 . 1 1 93 93 LYS H H 93 8.364 8.364 8.401 -0.037 25850 3321 1 6 . 1 1 94 94 GLU N N 94 122.671 122.671 126.792 -4.121 25850 3322 1 6 . 1 1 94 94 GLU HA H 94 4.246 4.246 4.438 -0.192 25850 3323 1 6 . 1 1 94 94 GLU C C 94 177.008 177.008 176.241 0.767 25850 3324 1 6 . 1 1 94 94 GLU CA C 94 56.848 56.848 55.656 1.192 25850 3325 1 6 . 1 1 94 94 GLU CB C 94 30.054 30.054 31.102 -1.048 25850 3326 1 6 . 1 1 94 94 GLU H H 94 8.571 8.571 8.531 0.040 25850 3327 1 6 . 1 1 95 95 GLY N N 95 110.337 110.337 114.779 -4.442 25850 3328 1 6 . 1 1 95 95 GLY C C 95 174.070 174.070 175.005 -0.935 25850 3329 1 6 . 1 1 95 95 GLY CA C 95 45.191 45.191 44.769 0.422 25850 3330 1 6 . 1 1 95 95 GLY H H 95 8.490 8.490 8.776 -0.286 25850 3331 1 6 . 1 1 96 96 GLU N N 96 120.183 120.183 120.999 -0.816 25850 3332 1 6 . 1 1 96 96 GLU HA H 96 4.339 4.339 4.073 0.266 25850 3333 1 6 . 1 1 96 96 GLU C C 96 176.463 176.463 176.713 -0.250 25850 3334 1 6 . 1 1 96 96 GLU CA C 96 56.204 56.204 57.975 -1.771 25850 3335 1 6 . 1 1 96 96 GLU CB C 96 30.433 30.433 29.897 0.536 25850 3336 1 6 . 1 1 96 96 GLU H H 96 8.142 8.142 8.369 -0.227 25850 3337 1 6 . 1 1 97 97 SER N N 97 116.979 116.979 114.679 2.300 25850 3338 1 6 . 1 1 97 97 SER HA H 97 4.472 4.472 4.505 -0.033 25850 3339 1 6 . 1 1 97 97 SER C C 97 174.162 174.162 173.087 1.075 25850 3340 1 6 . 1 1 97 97 SER CA C 97 58.070 58.070 57.554 0.516 25850 3341 1 6 . 1 1 97 97 SER CB C 97 63.710 63.710 64.311 -0.601 25850 3342 1 6 . 1 1 97 97 SER H H 97 8.381 8.381 7.666 0.715 25850 3343 1 6 . 1 1 98 98 ILE N N 98 122.626 122.626 125.907 -3.281 25850 3344 1 6 . 1 1 98 98 ILE HA H 98 4.201 4.201 4.186 0.015 25850 3345 1 6 . 1 1 98 98 ILE C C 98 175.921 175.921 175.543 0.378 25850 3346 1 6 . 1 1 98 98 ILE CA C 98 60.947 60.947 61.894 -0.947 25850 3347 1 6 . 1 1 98 98 ILE CB C 98 38.616 38.616 38.525 0.091 25850 3348 1 6 . 1 1 98 98 ILE H H 98 8.216 8.216 8.425 -0.209 25850 3349 1 6 . 1 1 99 99 LEU N N 99 126.765 126.765 123.991 2.774 25850 3350 1 6 . 1 1 99 99 LEU HA H 99 4.399 4.399 4.844 -0.445 25850 3351 1 6 . 1 1 99 99 LEU C C 99 176.093 176.093 176.384 -0.291 25850 3352 1 6 . 1 1 99 99 LEU CA C 99 54.853 54.853 53.809 1.044 25850 3353 1 6 . 1 1 99 99 LEU CB C 99 42.135 42.135 44.112 -1.977 25850 3354 1 6 . 1 1 99 99 LEU H H 99 8.326 8.326 7.853 0.473 25850 3355 1 7 . 1 1 2 2 GLY C C 2 173.891 173.891 173.885 0.006 25850 3356 1 7 . 1 1 2 2 GLY CA C 2 44.831 44.831 45.900 -1.069 25850 3357 1 7 . 1 1 3 3 SER N N 3 117.545 117.545 118.896 -1.351 25850 3358 1 7 . 1 1 3 3 SER HA H 3 4.799 4.799 4.809 -0.010 25850 3359 1 7 . 1 1 3 3 SER C C 3 173.162 173.162 174.098 -0.936 25850 3360 1 7 . 1 1 3 3 SER CA C 3 56.530 56.530 56.489 0.041 25850 3361 1 7 . 1 1 3 3 SER CB C 3 63.002 63.002 63.160 -0.158 25850 3362 1 7 . 1 1 3 3 SER H H 3 8.428 8.428 8.275 0.153 25850 3363 1 7 . 1 1 4 4 PRO HA H 4 4.644 4.644 4.407 0.237 25850 3364 1 7 . 1 1 4 4 PRO C C 4 178.093 178.093 177.364 0.729 25850 3365 1 7 . 1 1 4 4 PRO CA C 4 65.378 65.378 64.511 0.867 25850 3366 1 7 . 1 1 4 4 PRO CB C 4 31.965 31.965 32.179 -0.214 25850 3367 1 7 . 1 1 5 5 ASP N N 5 115.270 115.270 118.357 -3.087 25850 3368 1 7 . 1 1 5 5 ASP HA H 5 4.353 4.353 4.292 0.061 25850 3369 1 7 . 1 1 5 5 ASP C C 5 178.915 178.915 178.299 0.616 25850 3370 1 7 . 1 1 5 5 ASP CA C 5 56.796 56.796 58.002 -1.206 25850 3371 1 7 . 1 1 5 5 ASP CB C 5 40.690 40.690 40.126 0.564 25850 3372 1 7 . 1 1 5 5 ASP H H 5 8.233 8.233 8.776 -0.543 25850 3373 1 7 . 1 1 6 6 GLU N N 6 121.390 121.390 119.934 1.456 25850 3374 1 7 . 1 1 6 6 GLU HA H 6 4.027 4.027 3.884 0.143 25850 3375 1 7 . 1 1 6 6 GLU C C 6 178.836 178.836 178.405 0.431 25850 3376 1 7 . 1 1 6 6 GLU CA C 6 58.594 58.594 59.315 -0.721 25850 3377 1 7 . 1 1 6 6 GLU CB C 6 29.641 29.641 29.585 0.056 25850 3378 1 7 . 1 1 6 6 GLU H H 6 7.770 7.770 7.668 0.102 25850 3379 1 7 . 1 1 7 7 ASN N N 7 119.966 119.966 118.091 1.875 25850 3380 1 7 . 1 1 7 7 ASN HA H 7 4.155 4.155 4.032 0.123 25850 3381 1 7 . 1 1 7 7 ASN C C 7 176.723 176.723 177.501 -0.778 25850 3382 1 7 . 1 1 7 7 ASN CA C 7 55.007 55.007 55.597 -0.590 25850 3383 1 7 . 1 1 7 7 ASN CB C 7 36.627 36.627 37.721 -1.094 25850 3384 1 7 . 1 1 7 7 ASN H H 7 8.378 8.378 7.466 0.912 25850 3385 1 7 . 1 1 8 8 ILE N N 8 119.915 119.915 120.807 -0.892 25850 3386 1 7 . 1 1 8 8 ILE HA H 8 3.608 3.608 3.495 0.113 25850 3387 1 7 . 1 1 8 8 ILE CA C 8 66.495 66.495 65.868 0.628 25850 3388 1 7 . 1 1 8 8 ILE CB C 8 37.558 37.558 37.706 -0.148 25850 3389 1 7 . 1 1 8 8 ILE H H 8 8.626 8.626 8.013 0.613 25850 3390 1 7 . 1 1 9 9 ALA N N 9 121.268 121.268 120.900 0.368 25850 3391 1 7 . 1 1 9 9 ALA HA H 9 4.235 4.235 4.297 -0.062 25850 3392 1 7 . 1 1 9 9 ALA C C 9 180.624 180.624 179.457 1.167 25850 3393 1 7 . 1 1 9 9 ALA CA C 9 54.922 54.922 54.577 0.345 25850 3394 1 7 . 1 1 9 9 ALA CB C 9 17.710 17.710 18.384 -0.674 25850 3395 1 7 . 1 1 9 9 ALA H H 9 7.597 7.597 7.826 -0.229 25850 3396 1 7 . 1 1 10 10 LYS N N 10 118.798 118.798 119.321 -0.523 25850 3397 1 7 . 1 1 10 10 LYS HA H 10 4.011 4.011 4.030 -0.019 25850 3398 1 7 . 1 1 10 10 LYS C C 10 180.034 180.034 178.983 1.051 25850 3399 1 7 . 1 1 10 10 LYS CA C 10 59.264 59.264 59.127 0.137 25850 3400 1 7 . 1 1 10 10 LYS CB C 10 31.744 31.744 32.268 -0.524 25850 3401 1 7 . 1 1 10 10 LYS H H 10 7.569 7.569 7.459 0.110 25850 3402 1 7 . 1 1 11 11 PHE N N 11 121.394 121.394 118.012 3.382 25850 3403 1 7 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.331 0.397 25850 3404 1 7 . 1 1 11 11 PHE C C 11 178.445 178.445 178.401 0.044 25850 3405 1 7 . 1 1 11 11 PHE CA C 11 59.549 59.549 59.292 0.257 25850 3406 1 7 . 1 1 11 11 PHE CB C 11 39.001 39.001 38.242 0.759 25850 3407 1 7 . 1 1 11 11 PHE H H 11 8.347 8.347 7.920 0.427 25850 3408 1 7 . 1 1 12 12 GLU N N 12 121.864 121.864 119.421 2.443 25850 3409 1 7 . 1 1 12 12 GLU HA H 12 4.127 4.127 4.111 0.016 25850 3410 1 7 . 1 1 12 12 GLU C C 12 179.600 179.600 178.888 0.712 25850 3411 1 7 . 1 1 12 12 GLU CA C 12 59.803 59.803 59.444 0.359 25850 3412 1 7 . 1 1 12 12 GLU CB C 12 29.488 29.488 29.206 0.282 25850 3413 1 7 . 1 1 12 12 GLU H H 12 9.184 9.184 8.334 0.850 25850 3414 1 7 . 1 1 13 13 LYS N N 13 120.472 120.472 120.102 0.370 25850 3415 1 7 . 1 1 13 13 LYS HA H 13 4.127 4.127 4.092 0.035 25850 3416 1 7 . 1 1 13 13 LYS C C 13 179.120 179.120 178.765 0.355 25850 3417 1 7 . 1 1 13 13 LYS CA C 13 59.308 59.308 59.368 -0.060 25850 3418 1 7 . 1 1 13 13 LYS CB C 13 32.147 32.147 32.484 -0.337 25850 3419 1 7 . 1 1 13 13 LYS H H 13 7.800 7.800 7.730 0.070 25850 3420 1 7 . 1 1 14 14 ALA N N 14 122.753 122.753 120.616 2.137 25850 3421 1 7 . 1 1 14 14 ALA HA H 14 4.205 4.205 4.207 -0.002 25850 3422 1 7 . 1 1 14 14 ALA C C 14 180.640 180.640 179.560 1.080 25850 3423 1 7 . 1 1 14 14 ALA CA C 14 54.756 54.756 54.600 0.156 25850 3424 1 7 . 1 1 14 14 ALA CB C 14 17.913 17.913 18.351 -0.438 25850 3425 1 7 . 1 1 14 14 ALA H H 14 8.001 8.001 7.610 0.391 25850 3426 1 7 . 1 1 15 15 TYR HA H 15 3.850 3.850 4.194 -0.344 25850 3427 1 7 . 1 1 15 15 TYR C C 15 175.898 175.898 177.271 -1.373 25850 3428 1 7 . 1 1 15 15 TYR CA C 15 62.008 62.008 60.649 1.359 25850 3429 1 7 . 1 1 15 15 TYR CB C 15 37.756 37.756 38.441 -0.685 25850 3430 1 7 . 1 1 15 15 TYR H H 15 8.906 8.906 8.273 0.633 25850 3431 1 7 . 1 1 16 16 LYS N N 16 119.082 119.082 118.410 0.672 25850 3432 1 7 . 1 1 16 16 LYS HA H 16 3.985 3.985 3.768 0.217 25850 3433 1 7 . 1 1 16 16 LYS C C 16 179.068 179.068 178.758 0.310 25850 3434 1 7 . 1 1 16 16 LYS CA C 16 58.622 58.622 58.580 0.042 25850 3435 1 7 . 1 1 16 16 LYS CB C 16 32.131 32.131 31.707 0.424 25850 3436 1 7 . 1 1 16 16 LYS H H 16 8.059 8.059 7.870 0.189 25850 3437 1 7 . 1 1 17 17 LYS N N 17 119.708 119.708 120.036 -0.328 25850 3438 1 7 . 1 1 17 17 LYS HA H 17 4.142 4.142 4.029 0.113 25850 3439 1 7 . 1 1 17 17 LYS CA C 17 57.951 57.951 59.245 -1.294 25850 3440 1 7 . 1 1 17 17 LYS CB C 17 31.802 31.802 32.413 -0.610 25850 3441 1 7 . 1 1 17 17 LYS H H 17 7.900 7.900 7.349 0.551 25850 3442 1 7 . 1 1 18 18 ALA N N 18 120.860 120.860 120.916 -0.056 25850 3443 1 7 . 1 1 18 18 ALA HA H 18 4.329 4.329 4.004 0.325 25850 3444 1 7 . 1 1 18 18 ALA C C 18 179.572 179.572 179.445 0.127 25850 3445 1 7 . 1 1 18 18 ALA CA C 18 54.110 54.110 55.029 -0.919 25850 3446 1 7 . 1 1 18 18 ALA CB C 18 18.782 18.782 18.091 0.691 25850 3447 1 7 . 1 1 18 18 ALA H H 18 7.854 7.854 7.972 -0.118 25850 3448 1 7 . 1 1 19 19 GLU N N 19 120.904 120.904 118.794 2.110 25850 3449 1 7 . 1 1 19 19 GLU HA H 19 4.240 4.240 3.860 0.380 25850 3450 1 7 . 1 1 19 19 GLU C C 19 180.268 180.268 178.908 1.360 25850 3451 1 7 . 1 1 19 19 GLU CA C 19 59.147 59.147 58.818 0.329 25850 3452 1 7 . 1 1 19 19 GLU CB C 19 29.889 29.889 29.218 0.671 25850 3453 1 7 . 1 1 19 19 GLU H H 19 8.690 8.690 7.858 0.832 25850 3454 1 7 . 1 1 20 20 GLU N N 20 120.868 120.868 118.625 2.243 25850 3455 1 7 . 1 1 20 20 GLU HA H 20 4.024 4.024 4.092 -0.068 25850 3456 1 7 . 1 1 20 20 GLU C C 20 177.975 177.975 178.628 -0.653 25850 3457 1 7 . 1 1 20 20 GLU CA C 20 58.935 58.935 58.252 0.683 25850 3458 1 7 . 1 1 20 20 GLU CB C 20 29.549 29.549 29.677 -0.128 25850 3459 1 7 . 1 1 20 20 GLU H H 20 7.898 7.898 7.566 0.332 25850 3460 1 7 . 1 1 21 21 LEU N N 21 116.701 116.701 116.858 -0.157 25850 3461 1 7 . 1 1 21 21 LEU HA H 21 4.351 4.351 4.327 0.024 25850 3462 1 7 . 1 1 21 21 LEU C C 21 176.199 176.199 176.268 -0.069 25850 3463 1 7 . 1 1 21 21 LEU CA C 21 54.158 54.158 54.623 -0.465 25850 3464 1 7 . 1 1 21 21 LEU CB C 21 41.776 41.776 42.358 -0.583 25850 3465 1 7 . 1 1 21 21 LEU H H 21 7.393 7.393 7.570 -0.177 25850 3466 1 7 . 1 1 22 22 ASN N N 22 118.557 118.557 115.998 2.559 25850 3467 1 7 . 1 1 22 22 ASN HA H 22 4.278 4.278 4.365 -0.087 25850 3468 1 7 . 1 1 22 22 ASN C C 22 174.436 174.436 174.536 -0.100 25850 3469 1 7 . 1 1 22 22 ASN CA C 22 54.104 54.104 53.767 0.337 25850 3470 1 7 . 1 1 22 22 ASN CB C 22 37.364 37.364 37.700 -0.336 25850 3471 1 7 . 1 1 22 22 ASN H H 22 7.994 7.994 7.670 0.324 25850 3472 1 7 . 1 1 23 23 GLN N N 23 118.344 118.344 118.433 -0.089 25850 3473 1 7 . 1 1 23 23 GLN HA H 23 4.557 4.557 4.500 0.057 25850 3474 1 7 . 1 1 23 23 GLN C C 23 176.685 176.685 176.365 0.320 25850 3475 1 7 . 1 1 23 23 GLN CA C 23 53.983 53.983 54.965 -0.982 25850 3476 1 7 . 1 1 23 23 GLN CB C 23 27.770 27.770 27.766 0.004 25850 3477 1 7 . 1 1 23 23 GLN H H 23 8.378 8.378 8.057 0.321 25850 3478 1 7 . 1 1 24 24 GLY N N 24 113.071 113.071 111.783 1.288 25850 3479 1 7 . 1 1 24 24 GLY C C 24 175.286 175.286 175.218 0.068 25850 3480 1 7 . 1 1 24 24 GLY CA C 24 47.823 47.823 47.427 0.396 25850 3481 1 7 . 1 1 24 24 GLY H H 24 8.468 8.468 8.202 0.266 25850 3482 1 7 . 1 1 25 25 GLU N N 25 120.717 120.717 120.836 -0.119 25850 3483 1 7 . 1 1 25 25 GLU HA H 25 4.124 4.124 4.230 -0.106 25850 3484 1 7 . 1 1 25 25 GLU C C 25 176.495 176.495 178.196 -1.701 25850 3485 1 7 . 1 1 25 25 GLU CA C 25 59.621 59.621 58.703 0.917 25850 3486 1 7 . 1 1 25 25 GLU CB C 25 28.636 28.636 28.747 -0.111 25850 3487 1 7 . 1 1 25 25 GLU H H 25 9.067 9.067 8.328 0.739 25850 3488 1 7 . 1 1 26 26 LEU HA H 26 4.222 4.222 4.091 0.131 25850 3489 1 7 . 1 1 26 26 LEU C C 26 180.590 180.590 179.394 1.196 25850 3490 1 7 . 1 1 26 26 LEU CA C 26 56.882 56.882 57.352 -0.470 25850 3491 1 7 . 1 1 26 26 LEU CB C 26 41.231 41.231 42.049 -0.818 25850 3492 1 7 . 1 1 26 26 LEU H H 26 7.165 7.165 7.638 -0.473 25850 3493 1 7 . 1 1 27 27 MET N N 27 121.053 121.053 117.831 3.222 25850 3494 1 7 . 1 1 27 27 MET HA H 27 3.932 3.932 4.320 -0.388 25850 3495 1 7 . 1 1 27 27 MET CA C 27 59.980 59.980 59.833 0.147 25850 3496 1 7 . 1 1 27 27 MET CB C 27 34.537 34.537 32.306 2.231 25850 3497 1 7 . 1 1 27 27 MET H H 27 8.203 8.203 8.357 -0.154 25850 3498 1 7 . 1 1 28 28 GLY N N 28 106.038 106.038 106.576 -0.538 25850 3499 1 7 . 1 1 28 28 GLY C C 28 174.900 174.900 175.816 -0.916 25850 3500 1 7 . 1 1 28 28 GLY CA C 28 47.672 47.672 46.419 1.253 25850 3501 1 7 . 1 1 28 28 GLY H H 28 8.527 8.527 7.835 0.692 25850 3502 1 7 . 1 1 29 29 ARG N N 29 120.201 120.201 121.659 -1.458 25850 3503 1 7 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.208 -0.013 25850 3504 1 7 . 1 1 29 29 ARG C C 29 178.065 178.065 178.599 -0.534 25850 3505 1 7 . 1 1 29 29 ARG CA C 29 59.974 59.974 59.300 0.674 25850 3506 1 7 . 1 1 29 29 ARG CB C 29 30.416 30.416 30.203 0.213 25850 3507 1 7 . 1 1 29 29 ARG H H 29 8.224 8.224 8.063 0.161 25850 3508 1 7 . 1 1 30 30 ALA N N 30 121.394 121.394 123.062 -1.668 25850 3509 1 7 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.041 0.156 25850 3510 1 7 . 1 1 30 30 ALA C C 30 179.433 179.433 179.433 0.000 25850 3511 1 7 . 1 1 30 30 ALA CA C 30 55.838 55.838 55.093 0.745 25850 3512 1 7 . 1 1 30 30 ALA CB C 30 18.269 18.269 18.256 0.013 25850 3513 1 7 . 1 1 30 30 ALA H H 30 7.876 7.876 8.033 -0.157 25850 3514 1 7 . 1 1 31 31 LEU N N 31 116.122 116.122 118.442 -2.320 25850 3515 1 7 . 1 1 31 31 LEU HA H 31 4.003 4.003 3.834 0.169 25850 3516 1 7 . 1 1 31 31 LEU C C 31 178.416 178.416 179.053 -0.637 25850 3517 1 7 . 1 1 31 31 LEU CA C 31 57.921 57.921 57.372 0.549 25850 3518 1 7 . 1 1 31 31 LEU CB C 31 42.463 42.463 41.668 0.795 25850 3519 1 7 . 1 1 31 31 LEU H H 31 8.084 8.084 7.457 0.627 25850 3520 1 7 . 1 1 32 32 TYR N N 32 119.225 119.225 120.814 -1.589 25850 3521 1 7 . 1 1 32 32 TYR HA H 32 4.063 4.063 4.315 -0.252 25850 3522 1 7 . 1 1 32 32 TYR C C 32 176.310 176.310 177.603 -1.293 25850 3523 1 7 . 1 1 32 32 TYR CA C 32 61.992 61.992 61.964 0.028 25850 3524 1 7 . 1 1 32 32 TYR CB C 32 38.659 38.659 38.639 0.020 25850 3525 1 7 . 1 1 32 32 TYR H H 32 8.562 8.562 8.616 -0.054 25850 3526 1 7 . 1 1 33 33 ASN N N 33 116.880 116.880 117.445 -0.565 25850 3527 1 7 . 1 1 33 33 ASN HA H 33 4.068 4.068 4.294 -0.226 25850 3528 1 7 . 1 1 33 33 ASN C C 33 178.353 178.353 177.753 0.600 25850 3529 1 7 . 1 1 33 33 ASN CA C 33 55.858 55.858 55.761 0.097 25850 3530 1 7 . 1 1 33 33 ASN CB C 33 35.968 35.968 37.884 -1.916 25850 3531 1 7 . 1 1 33 33 ASN H H 33 8.213 8.213 8.051 0.162 25850 3532 1 7 . 1 1 34 34 ILE N N 34 121.401 121.401 120.561 0.840 25850 3533 1 7 . 1 1 34 34 ILE HA H 34 3.300 3.300 3.666 -0.366 25850 3534 1 7 . 1 1 34 34 ILE C C 34 177.867 177.867 177.583 0.284 25850 3535 1 7 . 1 1 34 34 ILE CA C 34 66.528 66.528 65.622 0.906 25850 3536 1 7 . 1 1 34 34 ILE CB C 34 37.839 37.839 37.147 0.692 25850 3537 1 7 . 1 1 34 34 ILE H H 34 8.087 8.087 8.231 -0.144 25850 3538 1 7 . 1 1 35 35 GLY N N 35 107.275 107.275 108.052 -0.777 25850 3539 1 7 . 1 1 35 35 GLY C C 35 175.048 175.048 175.677 -0.629 25850 3540 1 7 . 1 1 35 35 GLY CA C 35 48.547 48.547 46.711 1.836 25850 3541 1 7 . 1 1 35 35 GLY H H 35 7.922 7.922 7.770 0.152 25850 3542 1 7 . 1 1 36 36 LEU N N 36 120.414 120.414 121.846 -1.432 25850 3543 1 7 . 1 1 36 36 LEU HA H 36 4.048 4.048 3.974 0.074 25850 3544 1 7 . 1 1 36 36 LEU C C 36 180.804 180.804 179.252 1.552 25850 3545 1 7 . 1 1 36 36 LEU CA C 36 58.063 58.063 57.772 0.291 25850 3546 1 7 . 1 1 36 36 LEU CB C 36 41.701 41.701 41.560 0.141 25850 3547 1 7 . 1 1 36 36 LEU H H 36 8.177 8.177 7.984 0.193 25850 3548 1 7 . 1 1 37 37 GLU N N 37 120.083 120.083 119.198 0.885 25850 3549 1 7 . 1 1 37 37 GLU HA H 37 4.075 4.075 4.011 0.064 25850 3550 1 7 . 1 1 37 37 GLU C C 37 179.517 179.517 179.353 0.164 25850 3551 1 7 . 1 1 37 37 GLU CA C 37 58.603 58.603 59.207 -0.604 25850 3552 1 7 . 1 1 37 37 GLU CB C 37 29.799 29.799 28.968 0.831 25850 3553 1 7 . 1 1 37 37 GLU H H 37 7.750 7.750 8.038 -0.288 25850 3554 1 7 . 1 1 38 38 LYS N N 38 118.263 118.263 118.113 0.150 25850 3555 1 7 . 1 1 38 38 LYS HA H 38 3.862 3.862 4.001 -0.139 25850 3556 1 7 . 1 1 38 38 LYS C C 38 179.253 179.253 178.985 0.268 25850 3557 1 7 . 1 1 38 38 LYS CA C 38 57.937 57.937 58.430 -0.493 25850 3558 1 7 . 1 1 38 38 LYS CB C 38 30.769 30.769 31.930 -1.161 25850 3559 1 7 . 1 1 38 38 LYS H H 38 8.550 8.550 8.070 0.480 25850 3560 1 7 . 1 1 39 39 ASN N N 39 118.329 118.329 117.458 0.871 25850 3561 1 7 . 1 1 39 39 ASN HA H 39 4.193 4.193 4.489 -0.296 25850 3562 1 7 . 1 1 39 39 ASN C C 39 179.428 179.428 177.612 1.816 25850 3563 1 7 . 1 1 39 39 ASN CA C 39 56.177 56.177 55.802 0.375 25850 3564 1 7 . 1 1 39 39 ASN CB C 39 38.478 38.478 38.521 -0.043 25850 3565 1 7 . 1 1 39 39 ASN H H 39 8.294 8.294 8.089 0.205 25850 3566 1 7 . 1 1 40 40 LYS N N 40 121.176 121.176 119.233 1.943 25850 3567 1 7 . 1 1 40 40 LYS HA H 40 4.047 4.047 4.074 -0.027 25850 3568 1 7 . 1 1 40 40 LYS C C 40 178.229 178.229 178.618 -0.389 25850 3569 1 7 . 1 1 40 40 LYS CA C 40 59.471 59.471 58.588 0.883 25850 3570 1 7 . 1 1 40 40 LYS CB C 40 32.427 32.427 32.412 0.015 25850 3571 1 7 . 1 1 40 40 LYS H H 40 7.912 7.912 7.716 0.196 25850 3572 1 7 . 1 1 41 41 MET N N 41 114.548 114.548 115.326 -0.778 25850 3573 1 7 . 1 1 41 41 MET HA H 41 4.512 4.512 4.358 0.154 25850 3574 1 7 . 1 1 41 41 MET C C 41 175.915 175.915 176.824 -0.909 25850 3575 1 7 . 1 1 41 41 MET CA C 41 55.529 55.529 56.549 -1.020 25850 3576 1 7 . 1 1 41 41 MET CB C 41 34.022 34.022 33.151 0.871 25850 3577 1 7 . 1 1 41 41 MET H H 41 7.389 7.389 7.715 -0.326 25850 3578 1 7 . 1 1 42 42 GLY N N 42 107.409 107.409 105.379 2.030 25850 3579 1 7 . 1 1 42 42 GLY C C 42 175.041 175.041 175.212 -0.171 25850 3580 1 7 . 1 1 42 42 GLY CA C 42 45.335 45.335 45.238 0.097 25850 3581 1 7 . 1 1 42 42 GLY H H 42 7.929 7.929 7.426 0.503 25850 3582 1 7 . 1 1 43 43 LYS N N 43 124.326 124.326 122.586 1.740 25850 3583 1 7 . 1 1 43 43 LYS HA H 43 4.684 4.684 4.399 0.285 25850 3584 1 7 . 1 1 43 43 LYS C C 43 176.514 176.514 176.245 0.269 25850 3585 1 7 . 1 1 43 43 LYS CA C 43 53.791 53.791 55.036 -1.245 25850 3586 1 7 . 1 1 43 43 LYS CB C 43 30.065 30.065 31.111 -1.046 25850 3587 1 7 . 1 1 43 43 LYS H H 43 8.040 8.040 7.954 0.086 25850 3588 1 7 . 1 1 44 44 VAL N N 44 121.020 121.020 121.596 -0.576 25850 3589 1 7 . 1 1 44 44 VAL HA H 44 3.580 3.580 3.634 -0.054 25850 3590 1 7 . 1 1 44 44 VAL C C 44 177.096 177.096 177.278 -0.182 25850 3591 1 7 . 1 1 44 44 VAL CA C 44 66.166 66.166 66.489 -0.323 25850 3592 1 7 . 1 1 44 44 VAL CB C 44 31.869 31.869 31.768 0.101 25850 3593 1 7 . 1 1 44 44 VAL H H 44 7.439 7.439 7.875 -0.436 25850 3594 1 7 . 1 1 45 45 LYS N N 45 119.164 119.164 119.828 -0.664 25850 3595 1 7 . 1 1 45 45 LYS HA H 45 3.950 3.950 3.962 -0.012 25850 3596 1 7 . 1 1 45 45 LYS C C 45 179.726 179.726 178.944 0.782 25850 3597 1 7 . 1 1 45 45 LYS CA C 45 60.153 60.153 60.157 -0.004 25850 3598 1 7 . 1 1 45 45 LYS CB C 45 31.446 31.446 31.844 -0.398 25850 3599 1 7 . 1 1 45 45 LYS H H 45 8.427 8.427 8.555 -0.128 25850 3600 1 7 . 1 1 46 46 GLU N N 46 118.446 118.446 119.013 -0.567 25850 3601 1 7 . 1 1 46 46 GLU HA H 46 4.092 4.092 4.259 -0.167 25850 3602 1 7 . 1 1 46 46 GLU C C 46 178.490 178.490 178.723 -0.233 25850 3603 1 7 . 1 1 46 46 GLU CA C 46 59.327 59.327 58.940 0.387 25850 3604 1 7 . 1 1 46 46 GLU CB C 46 29.764 29.764 29.640 0.124 25850 3605 1 7 . 1 1 46 46 GLU H H 46 7.867 7.867 7.775 0.092 25850 3606 1 7 . 1 1 47 47 ALA N N 47 122.279 122.279 123.264 -0.985 25850 3607 1 7 . 1 1 47 47 ALA HA H 47 3.513 3.513 3.767 -0.254 25850 3608 1 7 . 1 1 47 47 ALA C C 47 178.065 178.065 179.177 -1.112 25850 3609 1 7 . 1 1 47 47 ALA CA C 47 55.905 55.905 55.117 0.788 25850 3610 1 7 . 1 1 47 47 ALA CB C 47 18.256 18.256 18.226 0.030 25850 3611 1 7 . 1 1 47 47 ALA H H 47 8.315 8.315 7.694 0.621 25850 3612 1 7 . 1 1 48 48 ILE N N 48 115.863 115.863 118.327 -2.464 25850 3613 1 7 . 1 1 48 48 ILE HA H 48 3.401 3.401 3.568 -0.167 25850 3614 1 7 . 1 1 48 48 ILE C C 48 176.808 176.808 178.043 -1.235 25850 3615 1 7 . 1 1 48 48 ILE CA C 48 66.282 66.282 65.692 0.590 25850 3616 1 7 . 1 1 48 48 ILE CB C 48 38.375 38.375 37.775 0.600 25850 3617 1 7 . 1 1 48 48 ILE H H 48 8.077 8.077 7.998 0.079 25850 3618 1 7 . 1 1 49 49 GLU N N 49 116.853 116.853 119.456 -2.603 25850 3619 1 7 . 1 1 49 49 GLU HA H 49 3.920 3.920 3.858 0.062 25850 3620 1 7 . 1 1 49 49 GLU C C 49 179.914 179.914 179.278 0.636 25850 3621 1 7 . 1 1 49 49 GLU CA C 49 59.535 59.535 59.634 -0.099 25850 3622 1 7 . 1 1 49 49 GLU CB C 49 28.995 28.995 29.179 -0.184 25850 3623 1 7 . 1 1 49 49 GLU H H 49 7.175 7.175 7.518 -0.343 25850 3624 1 7 . 1 1 50 50 TYR N N 50 117.578 117.578 118.789 -1.211 25850 3625 1 7 . 1 1 50 50 TYR HA H 50 3.774 3.774 4.161 -0.387 25850 3626 1 7 . 1 1 50 50 TYR C C 50 178.462 178.462 178.336 0.126 25850 3627 1 7 . 1 1 50 50 TYR CA C 50 64.368 64.368 61.333 3.035 25850 3628 1 7 . 1 1 50 50 TYR CB C 50 37.345 37.345 38.105 -0.759 25850 3629 1 7 . 1 1 50 50 TYR H H 50 7.676 7.676 7.801 -0.125 25850 3630 1 7 . 1 1 51 51 PHE N N 51 119.480 119.480 117.906 1.574 25850 3631 1 7 . 1 1 51 51 PHE HA H 51 4.711 4.711 4.448 0.263 25850 3632 1 7 . 1 1 51 51 PHE C C 51 178.720 178.720 178.068 0.652 25850 3633 1 7 . 1 1 51 51 PHE CA C 51 58.958 58.958 60.266 -1.308 25850 3634 1 7 . 1 1 51 51 PHE CB C 51 37.771 37.771 38.107 -0.336 25850 3635 1 7 . 1 1 51 51 PHE H H 51 9.013 9.013 8.227 0.786 25850 3636 1 7 . 1 1 52 52 LEU N N 52 120.365 120.365 120.970 -0.605 25850 3637 1 7 . 1 1 52 52 LEU HA H 52 4.093 4.093 3.963 0.130 25850 3638 1 7 . 1 1 52 52 LEU C C 52 180.229 180.229 179.017 1.212 25850 3639 1 7 . 1 1 52 52 LEU CA C 52 58.252 58.252 58.346 -0.094 25850 3640 1 7 . 1 1 52 52 LEU CB C 52 42.160 42.160 41.514 0.646 25850 3641 1 7 . 1 1 52 52 LEU H H 52 8.906 8.906 8.529 0.377 25850 3642 1 7 . 1 1 53 53 ARG N N 53 119.294 119.294 118.910 0.384 25850 3643 1 7 . 1 1 53 53 ARG HA H 53 3.929 3.929 4.035 -0.106 25850 3644 1 7 . 1 1 53 53 ARG C C 53 179.087 179.087 178.577 0.510 25850 3645 1 7 . 1 1 53 53 ARG CA C 53 59.580 59.580 59.626 -0.046 25850 3646 1 7 . 1 1 53 53 ARG CB C 53 31.418 31.418 29.977 1.441 25850 3647 1 7 . 1 1 53 53 ARG H H 53 7.846 7.846 8.296 -0.450 25850 3648 1 7 . 1 1 54 54 ALA N N 54 121.351 121.351 122.272 -0.921 25850 3649 1 7 . 1 1 54 54 ALA HA H 54 3.693 3.693 4.029 -0.336 25850 3650 1 7 . 1 1 54 54 ALA C C 54 177.631 177.631 179.052 -1.421 25850 3651 1 7 . 1 1 54 54 ALA CA C 54 55.115 55.115 55.462 -0.347 25850 3652 1 7 . 1 1 54 54 ALA CB C 54 17.612 17.612 18.350 -0.738 25850 3653 1 7 . 1 1 54 54 ALA H H 54 8.892 8.892 8.231 0.661 25850 3654 1 7 . 1 1 55 55 LYS N N 55 117.135 117.135 118.760 -1.625 25850 3655 1 7 . 1 1 55 55 LYS HA H 55 3.835 3.835 4.209 -0.374 25850 3656 1 7 . 1 1 55 55 LYS C C 55 176.970 176.970 178.670 -1.700 25850 3657 1 7 . 1 1 55 55 LYS CA C 55 60.725 60.725 59.741 0.984 25850 3658 1 7 . 1 1 55 55 LYS CB C 55 32.602 32.602 32.398 0.204 25850 3659 1 7 . 1 1 55 55 LYS H H 55 8.626 8.626 8.140 0.486 25850 3660 1 7 . 1 1 56 56 LYS N N 56 116.695 116.695 119.481 -2.786 25850 3661 1 7 . 1 1 56 56 LYS HA H 56 4.171 4.171 4.146 0.025 25850 3662 1 7 . 1 1 56 56 LYS C C 56 180.037 180.037 179.123 0.914 25850 3663 1 7 . 1 1 56 56 LYS CA C 56 59.606 59.606 59.300 0.306 25850 3664 1 7 . 1 1 56 56 LYS CB C 56 32.349 32.349 32.461 -0.112 25850 3665 1 7 . 1 1 56 56 LYS H H 56 7.652 7.652 7.776 -0.124 25850 3666 1 7 . 1 1 57 57 VAL N N 57 120.809 120.809 120.054 0.755 25850 3667 1 7 . 1 1 57 57 VAL HA H 57 3.753 3.753 3.583 0.170 25850 3668 1 7 . 1 1 57 57 VAL C C 57 178.174 178.174 178.080 0.094 25850 3669 1 7 . 1 1 57 57 VAL CA C 57 66.226 66.226 66.639 -0.413 25850 3670 1 7 . 1 1 57 57 VAL CB C 57 31.424 31.424 31.666 -0.242 25850 3671 1 7 . 1 1 57 57 VAL H H 57 7.583 7.583 7.930 -0.347 25850 3672 1 7 . 1 1 58 58 PHE N N 58 118.864 118.864 118.531 0.333 25850 3673 1 7 . 1 1 58 58 PHE HA H 58 4.521 4.521 4.081 0.440 25850 3674 1 7 . 1 1 58 58 PHE C C 58 179.187 179.187 177.955 1.232 25850 3675 1 7 . 1 1 58 58 PHE CA C 58 59.849 59.849 61.991 -2.142 25850 3676 1 7 . 1 1 58 58 PHE CB C 58 37.753 37.753 38.181 -0.428 25850 3677 1 7 . 1 1 58 58 PHE H H 58 8.871 8.871 7.873 0.998 25850 3678 1 7 . 1 1 59 59 ASP N N 59 119.714 119.714 119.331 0.383 25850 3679 1 7 . 1 1 59 59 ASP HA H 59 4.444 4.444 4.438 0.006 25850 3680 1 7 . 1 1 59 59 ASP C C 59 180.066 180.066 178.574 1.492 25850 3681 1 7 . 1 1 59 59 ASP CA C 59 57.201 57.201 57.212 -0.011 25850 3682 1 7 . 1 1 59 59 ASP CB C 59 39.713 39.713 40.929 -1.216 25850 3683 1 7 . 1 1 59 59 ASP H H 59 9.157 9.157 8.465 0.692 25850 3684 1 7 . 1 1 60 60 ALA N N 60 124.290 124.290 121.512 2.778 25850 3685 1 7 . 1 1 60 60 ALA HA H 60 4.087 4.087 4.080 0.007 25850 3686 1 7 . 1 1 60 60 ALA C C 60 179.389 179.389 179.188 0.201 25850 3687 1 7 . 1 1 60 60 ALA CA C 60 54.760 54.760 54.324 0.436 25850 3688 1 7 . 1 1 60 60 ALA CB C 60 18.025 18.025 18.667 -0.642 25850 3689 1 7 . 1 1 60 60 ALA H H 60 7.742 7.742 7.871 -0.129 25850 3690 1 7 . 1 1 61 61 GLU N N 61 114.493 114.493 115.870 -1.377 25850 3691 1 7 . 1 1 61 61 GLU HA H 61 4.259 4.259 4.082 0.177 25850 3692 1 7 . 1 1 61 61 GLU C C 61 175.970 175.970 176.393 -0.423 25850 3693 1 7 . 1 1 61 61 GLU CA C 61 55.049 55.049 56.403 -1.354 25850 3694 1 7 . 1 1 61 61 GLU CB C 61 29.724 29.724 29.851 -0.127 25850 3695 1 7 . 1 1 61 61 GLU H H 61 7.908 7.908 7.716 0.192 25850 3696 1 7 . 1 1 62 62 HIS N N 62 115.130 115.130 113.604 1.526 25850 3697 1 7 . 1 1 62 62 HIS HA H 62 4.264 4.264 4.350 -0.086 25850 3698 1 7 . 1 1 62 62 HIS C C 62 173.916 173.916 173.838 0.078 25850 3699 1 7 . 1 1 62 62 HIS CA C 62 56.531 56.531 56.629 -0.098 25850 3700 1 7 . 1 1 62 62 HIS CB C 62 26.039 26.039 27.174 -1.135 25850 3701 1 7 . 1 1 62 62 HIS H H 62 7.830 7.830 7.638 0.192 25850 3702 1 7 . 1 1 63 63 ASP N N 63 118.507 118.507 119.643 -1.136 25850 3703 1 7 . 1 1 63 63 ASP HA H 63 4.854 4.854 4.826 0.028 25850 3704 1 7 . 1 1 63 63 ASP C C 63 176.143 176.143 176.600 -0.457 25850 3705 1 7 . 1 1 63 63 ASP CA C 63 52.127 52.127 53.640 -1.513 25850 3706 1 7 . 1 1 63 63 ASP CB C 63 40.068 40.068 41.381 -1.313 25850 3707 1 7 . 1 1 63 63 ASP H H 63 8.521 8.521 8.190 0.331 25850 3708 1 7 . 1 1 64 64 THR N N 64 119.037 119.037 121.127 -2.090 25850 3709 1 7 . 1 1 64 64 THR HA H 64 3.869 3.869 4.004 -0.135 25850 3710 1 7 . 1 1 64 64 THR C C 64 176.814 176.814 175.391 1.423 25850 3711 1 7 . 1 1 64 64 THR CA C 64 65.198 65.198 65.633 -0.435 25850 3712 1 7 . 1 1 64 64 THR CB C 64 68.315 68.315 68.837 -0.522 25850 3713 1 7 . 1 1 64 64 THR H H 64 7.907 7.907 8.326 -0.419 25850 3714 1 7 . 1 1 65 65 ASP N N 65 122.892 122.892 121.367 1.525 25850 3715 1 7 . 1 1 65 65 ASP HA H 65 4.287 4.287 4.229 0.058 25850 3716 1 7 . 1 1 65 65 ASP C C 65 178.326 178.326 178.362 -0.036 25850 3717 1 7 . 1 1 65 65 ASP CA C 65 57.350 57.350 58.049 -0.699 25850 3718 1 7 . 1 1 65 65 ASP CB C 65 41.121 41.121 40.101 1.020 25850 3719 1 7 . 1 1 65 65 ASP H H 65 8.375 8.375 8.146 0.229 25850 3720 1 7 . 1 1 66 66 GLY N N 66 109.334 109.334 106.061 3.273 25850 3721 1 7 . 1 1 66 66 GLY C C 66 175.861 175.861 174.986 0.875 25850 3722 1 7 . 1 1 66 66 GLY CA C 66 46.136 46.136 45.777 0.359 25850 3723 1 7 . 1 1 66 66 GLY H H 66 8.234 8.234 8.170 0.064 25850 3724 1 7 . 1 1 67 67 ALA N N 67 122.888 122.888 124.621 -1.733 25850 3725 1 7 . 1 1 67 67 ALA HA H 67 3.892 3.892 3.995 -0.103 25850 3726 1 7 . 1 1 67 67 ALA C C 67 179.384 179.384 179.552 -0.168 25850 3727 1 7 . 1 1 67 67 ALA CA C 67 55.960 55.960 54.632 1.328 25850 3728 1 7 . 1 1 67 67 ALA CB C 67 18.611 18.611 18.560 0.051 25850 3729 1 7 . 1 1 67 67 ALA H H 67 7.949 7.949 7.291 0.658 25850 3730 1 7 . 1 1 68 68 ARG N N 68 118.221 118.221 117.583 0.638 25850 3731 1 7 . 1 1 68 68 ARG HA H 68 3.993 3.993 4.017 -0.024 25850 3732 1 7 . 1 1 68 68 ARG C C 68 179.355 179.355 178.913 0.442 25850 3733 1 7 . 1 1 68 68 ARG CA C 68 59.234 59.234 59.116 0.118 25850 3734 1 7 . 1 1 68 68 ARG CB C 68 29.799 29.799 30.068 -0.269 25850 3735 1 7 . 1 1 68 68 ARG H H 68 7.917 7.917 7.960 -0.043 25850 3736 1 7 . 1 1 69 69 ARG N N 69 120.551 120.551 119.841 0.710 25850 3737 1 7 . 1 1 69 69 ARG HA H 69 3.923 3.923 3.945 -0.022 25850 3738 1 7 . 1 1 69 69 ARG C C 69 179.120 179.120 178.267 0.853 25850 3739 1 7 . 1 1 69 69 ARG CA C 69 59.310 59.310 59.480 -0.170 25850 3740 1 7 . 1 1 69 69 ARG CB C 69 29.189 29.189 29.639 -0.450 25850 3741 1 7 . 1 1 69 69 ARG H H 69 7.749 7.749 7.569 0.180 25850 3742 1 7 . 1 1 70 70 ALA N N 70 121.098 121.098 120.962 0.136 25850 3743 1 7 . 1 1 70 70 ALA HA H 70 4.016 4.016 4.366 -0.350 25850 3744 1 7 . 1 1 70 70 ALA C C 70 178.438 178.438 179.469 -1.031 25850 3745 1 7 . 1 1 70 70 ALA CA C 70 55.536 55.536 54.869 0.667 25850 3746 1 7 . 1 1 70 70 ALA CB C 70 17.216 17.216 18.279 -1.063 25850 3747 1 7 . 1 1 70 70 ALA H H 70 8.245 8.245 7.966 0.279 25850 3748 1 7 . 1 1 71 71 ALA N N 71 119.333 119.333 120.542 -1.209 25850 3749 1 7 . 1 1 71 71 ALA HA H 71 4.047 4.047 4.105 -0.058 25850 3750 1 7 . 1 1 71 71 ALA C C 71 180.219 180.219 179.384 0.835 25850 3751 1 7 . 1 1 71 71 ALA CA C 71 55.083 55.083 54.866 0.217 25850 3752 1 7 . 1 1 71 71 ALA CB C 71 18.198 18.198 18.278 -0.080 25850 3753 1 7 . 1 1 71 71 ALA H H 71 8.565 8.565 7.849 0.716 25850 3754 1 7 . 1 1 72 72 LYS N N 72 121.188 121.188 118.570 2.618 25850 3755 1 7 . 1 1 72 72 LYS HA H 72 4.107 4.107 4.009 0.098 25850 3756 1 7 . 1 1 72 72 LYS C C 72 179.155 179.155 178.524 0.631 25850 3757 1 7 . 1 1 72 72 LYS CA C 72 59.271 59.271 59.155 0.116 25850 3758 1 7 . 1 1 72 72 LYS CB C 72 31.786 31.786 32.492 -0.706 25850 3759 1 7 . 1 1 72 72 LYS H H 72 8.108 8.108 7.921 0.187 25850 3760 1 7 . 1 1 73 73 SER N N 73 116.976 116.976 116.120 0.856 25850 3761 1 7 . 1 1 73 73 SER HA H 73 3.957 3.957 4.003 -0.046 25850 3762 1 7 . 1 1 73 73 SER C C 73 176.394 176.394 176.150 0.244 25850 3763 1 7 . 1 1 73 73 SER CA C 73 62.753 62.753 61.668 1.085 25850 3764 1 7 . 1 1 73 73 SER CB C 73 60.718 60.718 62.341 -1.623 25850 3765 1 7 . 1 1 73 73 SER H H 73 8.057 8.057 7.876 0.181 25850 3766 1 7 . 1 1 74 74 LEU N N 74 123.741 123.741 122.417 1.324 25850 3767 1 7 . 1 1 74 74 LEU HA H 74 3.831 3.831 3.689 0.142 25850 3768 1 7 . 1 1 74 74 LEU C C 74 176.704 176.704 178.179 -1.475 25850 3769 1 7 . 1 1 74 74 LEU CA C 74 58.545 58.545 58.042 0.502 25850 3770 1 7 . 1 1 74 74 LEU CB C 74 41.862 41.862 41.595 0.267 25850 3771 1 7 . 1 1 74 74 LEU H H 74 8.341 8.341 7.834 0.507 25850 3772 1 7 . 1 1 75 75 SER N N 75 113.508 113.508 113.174 0.334 25850 3773 1 7 . 1 1 75 75 SER HA H 75 4.277 4.277 4.278 -0.001 25850 3774 1 7 . 1 1 75 75 SER C C 75 177.668 177.668 176.183 1.485 25850 3775 1 7 . 1 1 75 75 SER CA C 75 61.926 61.926 61.397 0.529 25850 3776 1 7 . 1 1 75 75 SER CB C 75 62.702 62.702 63.056 -0.354 25850 3777 1 7 . 1 1 75 75 SER H H 75 8.055 8.055 7.792 0.263 25850 3778 1 7 . 1 1 76 76 GLU N N 76 119.999 119.999 119.437 0.562 25850 3779 1 7 . 1 1 76 76 GLU HA H 76 4.041 4.041 4.222 -0.181 25850 3780 1 7 . 1 1 76 76 GLU C C 76 178.836 178.836 178.900 -0.064 25850 3781 1 7 . 1 1 76 76 GLU CA C 76 58.928 58.928 58.433 0.495 25850 3782 1 7 . 1 1 76 76 GLU CB C 76 29.684 29.684 29.671 0.013 25850 3783 1 7 . 1 1 76 76 GLU H H 76 7.874 7.874 7.484 0.390 25850 3784 1 7 . 1 1 77 77 ALA N N 77 123.551 123.551 123.744 -0.193 25850 3785 1 7 . 1 1 77 77 ALA HA H 77 4.242 4.242 4.172 0.070 25850 3786 1 7 . 1 1 77 77 ALA C C 77 180.005 180.005 179.992 0.013 25850 3787 1 7 . 1 1 77 77 ALA CA C 77 55.031 55.031 54.631 0.400 25850 3788 1 7 . 1 1 77 77 ALA CB C 77 18.237 18.237 18.477 -0.240 25850 3789 1 7 . 1 1 77 77 ALA H H 77 8.043 8.043 7.679 0.364 25850 3790 1 7 . 1 1 78 78 TYR N N 78 116.371 116.371 117.090 -0.719 25850 3791 1 7 . 1 1 78 78 TYR HA H 78 4.418 4.418 4.223 0.195 25850 3792 1 7 . 1 1 78 78 TYR C C 78 178.901 178.901 178.180 0.721 25850 3793 1 7 . 1 1 78 78 TYR CA C 78 60.302 60.302 59.800 0.502 25850 3794 1 7 . 1 1 78 78 TYR CB C 78 37.416 37.416 37.098 0.318 25850 3795 1 7 . 1 1 78 78 TYR H H 78 8.699 8.699 8.276 0.423 25850 3796 1 7 . 1 1 79 79 GLN N N 79 116.649 116.649 118.551 -1.902 25850 3797 1 7 . 1 1 79 79 GLN HA H 79 4.212 4.212 4.059 0.153 25850 3798 1 7 . 1 1 79 79 GLN C C 79 177.778 177.778 177.785 -0.007 25850 3799 1 7 . 1 1 79 79 GLN CA C 79 57.922 57.922 58.667 -0.745 25850 3800 1 7 . 1 1 79 79 GLN CB C 79 28.659 28.659 28.513 0.146 25850 3801 1 7 . 1 1 79 79 GLN H H 79 7.667 7.667 7.707 -0.040 25850 3802 1 7 . 1 1 80 80 LYS N N 80 118.855 118.855 117.778 1.077 25850 3803 1 7 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.207 0.086 25850 3804 1 7 . 1 1 80 80 LYS C C 80 178.038 178.038 178.451 -0.413 25850 3805 1 7 . 1 1 80 80 LYS CA C 80 57.474 57.474 58.028 -0.554 25850 3806 1 7 . 1 1 80 80 LYS CB C 80 32.816 32.816 32.129 0.687 25850 3807 1 7 . 1 1 80 80 LYS H H 80 7.766 7.766 7.652 0.114 25850 3808 1 7 . 1 1 81 81 VAL N N 81 117.863 117.863 119.148 -1.285 25850 3809 1 7 . 1 1 81 81 VAL HA H 81 4.076 4.076 4.093 -0.017 25850 3810 1 7 . 1 1 81 81 VAL C C 81 176.805 176.805 177.560 -0.755 25850 3811 1 7 . 1 1 81 81 VAL CA C 81 63.409 63.409 64.620 -1.211 25850 3812 1 7 . 1 1 81 81 VAL CB C 81 32.423 32.423 32.321 0.102 25850 3813 1 7 . 1 1 81 81 VAL H H 81 7.821 7.821 7.437 0.384 25850 3814 1 7 . 1 1 82 82 GLU N N 82 122.552 122.552 120.456 2.096 25850 3815 1 7 . 1 1 82 82 GLU HA H 82 4.277 4.277 4.357 -0.080 25850 3816 1 7 . 1 1 82 82 GLU C C 82 177.559 177.559 176.277 1.282 25850 3817 1 7 . 1 1 82 82 GLU CA C 82 57.300 57.300 55.879 1.421 25850 3818 1 7 . 1 1 82 82 GLU CB C 82 29.927 29.927 27.668 2.259 25850 3819 1 7 . 1 1 82 82 GLU H H 82 8.329 8.329 8.222 0.107 25850 3820 1 7 . 1 1 83 83 GLY N N 83 109.040 109.040 111.363 -2.323 25850 3821 1 7 . 1 1 83 83 GLY C C 83 174.590 174.590 173.918 0.672 25850 3822 1 7 . 1 1 83 83 GLY CA C 83 45.530 45.530 45.487 0.043 25850 3823 1 7 . 1 1 83 83 GLY H H 83 8.309 8.309 8.045 0.264 25850 3824 1 7 . 1 1 84 84 SER N N 84 115.258 115.258 116.826 -1.568 25850 3825 1 7 . 1 1 84 84 SER HA H 84 4.495 4.495 4.583 -0.088 25850 3826 1 7 . 1 1 84 84 SER C C 84 175.217 175.217 174.076 1.141 25850 3827 1 7 . 1 1 84 84 SER CA C 84 58.580 58.580 57.721 0.859 25850 3828 1 7 . 1 1 84 84 SER CB C 84 63.827 63.827 65.824 -1.997 25850 3829 1 7 . 1 1 84 84 SER H H 84 8.180 8.180 7.887 0.293 25850 3830 1 7 . 1 1 85 85 GLY N N 85 110.681 110.681 111.223 -0.542 25850 3831 1 7 . 1 1 85 85 GLY C C 85 174.063 174.063 173.224 0.839 25850 3832 1 7 . 1 1 85 85 GLY CA C 85 45.395 45.395 44.616 0.779 25850 3833 1 7 . 1 1 85 85 GLY H H 85 8.472 8.472 8.183 0.289 25850 3834 1 7 . 1 1 86 86 ASP N N 86 120.537 120.537 122.261 -1.724 25850 3835 1 7 . 1 1 86 86 ASP HA H 86 4.597 4.597 4.685 -0.088 25850 3836 1 7 . 1 1 86 86 ASP C C 86 176.761 176.761 176.392 0.369 25850 3837 1 7 . 1 1 86 86 ASP CA C 86 54.451 54.451 53.877 0.574 25850 3838 1 7 . 1 1 86 86 ASP CB C 86 41.069 41.069 41.439 -0.370 25850 3839 1 7 . 1 1 86 86 ASP H H 86 8.272 8.272 8.423 -0.151 25850 3840 1 7 . 1 1 87 87 LYS N N 87 121.608 121.608 126.357 -4.749 25850 3841 1 7 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.584 -0.338 25850 3842 1 7 . 1 1 87 87 LYS C C 87 177.342 177.342 176.262 1.080 25850 3843 1 7 . 1 1 87 87 LYS CA C 87 56.545 56.545 55.607 0.938 25850 3844 1 7 . 1 1 87 87 LYS CB C 87 32.302 32.302 32.891 -0.589 25850 3845 1 7 . 1 1 87 87 LYS H H 87 8.344 8.344 8.570 -0.226 25850 3846 1 7 . 1 1 88 88 GLY N N 88 108.711 108.711 108.888 -0.177 25850 3847 1 7 . 1 1 88 88 GLY C C 88 174.216 174.216 174.991 -0.775 25850 3848 1 7 . 1 1 88 88 GLY CA C 88 45.339 45.339 45.285 0.054 25850 3849 1 7 . 1 1 88 88 GLY H H 88 8.449 8.449 7.905 0.544 25850 3850 1 7 . 1 1 89 89 LYS N N 89 120.508 120.508 123.625 -3.117 25850 3851 1 7 . 1 1 89 89 LYS HA H 89 4.266 4.266 4.244 0.022 25850 3852 1 7 . 1 1 89 89 LYS C C 89 176.464 176.464 175.789 0.675 25850 3853 1 7 . 1 1 89 89 LYS CA C 89 56.214 56.214 55.110 1.104 25850 3854 1 7 . 1 1 89 89 LYS CB C 89 32.824 32.824 30.958 1.866 25850 3855 1 7 . 1 1 89 89 LYS H H 89 7.958 7.958 8.241 -0.283 25850 3856 1 7 . 1 1 90 90 ILE N N 90 121.127 121.127 120.953 0.174 25850 3857 1 7 . 1 1 90 90 ILE HA H 90 4.091 4.091 4.272 -0.181 25850 3858 1 7 . 1 1 90 90 ILE C C 90 175.896 175.896 175.214 0.682 25850 3859 1 7 . 1 1 90 90 ILE CA C 90 61.022 61.022 61.333 -0.311 25850 3860 1 7 . 1 1 90 90 ILE CB C 90 38.488 38.488 37.782 0.706 25850 3861 1 7 . 1 1 90 90 ILE H H 90 8.005 8.005 7.463 0.542 25850 3862 1 7 . 1 1 91 91 PHE N N 91 123.843 123.843 126.281 -2.438 25850 3863 1 7 . 1 1 91 91 PHE HA H 91 4.615 4.615 4.786 -0.171 25850 3864 1 7 . 1 1 91 91 PHE C C 91 175.327 175.327 175.870 -0.543 25850 3865 1 7 . 1 1 91 91 PHE CA C 91 57.565 57.565 56.869 0.696 25850 3866 1 7 . 1 1 91 91 PHE CB C 91 39.457 39.457 40.578 -1.121 25850 3867 1 7 . 1 1 91 91 PHE H H 91 8.283 8.283 8.534 -0.251 25850 3868 1 7 . 1 1 92 92 GLN N N 92 122.349 122.349 121.723 0.626 25850 3869 1 7 . 1 1 92 92 GLN HA H 92 4.296 4.296 4.356 -0.060 25850 3870 1 7 . 1 1 92 92 GLN C C 92 175.338 175.338 175.533 -0.195 25850 3871 1 7 . 1 1 92 92 GLN CA C 92 55.492 55.492 55.695 -0.203 25850 3872 1 7 . 1 1 92 92 GLN CB C 92 29.708 29.708 29.321 0.387 25850 3873 1 7 . 1 1 92 92 GLN H H 92 8.212 8.212 8.544 -0.332 25850 3874 1 7 . 1 1 93 93 LYS N N 93 123.137 123.137 121.120 2.017 25850 3875 1 7 . 1 1 93 93 LYS HA H 93 4.250 4.250 4.337 -0.087 25850 3876 1 7 . 1 1 93 93 LYS C C 93 176.492 176.492 176.043 0.449 25850 3877 1 7 . 1 1 93 93 LYS CA C 93 56.272 56.272 56.062 0.210 25850 3878 1 7 . 1 1 93 93 LYS CB C 93 33.055 33.055 33.234 -0.179 25850 3879 1 7 . 1 1 93 93 LYS H H 93 8.364 8.364 8.592 -0.228 25850 3880 1 7 . 1 1 94 94 GLU N N 94 122.671 122.671 119.223 3.448 25850 3881 1 7 . 1 1 94 94 GLU HA H 94 4.246 4.246 4.447 -0.201 25850 3882 1 7 . 1 1 94 94 GLU C C 94 177.008 177.008 175.392 1.616 25850 3883 1 7 . 1 1 94 94 GLU CA C 94 56.848 56.848 56.447 0.401 25850 3884 1 7 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.741 -0.687 25850 3885 1 7 . 1 1 94 94 GLU H H 94 8.571 8.571 8.517 0.054 25850 3886 1 7 . 1 1 95 95 GLY N N 95 110.337 110.337 113.330 -2.993 25850 3887 1 7 . 1 1 95 95 GLY C C 95 174.070 174.070 174.176 -0.106 25850 3888 1 7 . 1 1 95 95 GLY CA C 95 45.191 45.191 44.789 0.402 25850 3889 1 7 . 1 1 95 95 GLY H H 95 8.490 8.490 8.459 0.031 25850 3890 1 7 . 1 1 96 96 GLU N N 96 120.183 120.183 124.316 -4.133 25850 3891 1 7 . 1 1 96 96 GLU HA H 96 4.339 4.339 4.411 -0.072 25850 3892 1 7 . 1 1 96 96 GLU C C 96 176.463 176.463 176.594 -0.131 25850 3893 1 7 . 1 1 96 96 GLU CA C 96 56.204 56.204 55.789 0.415 25850 3894 1 7 . 1 1 96 96 GLU CB C 96 30.433 30.433 30.681 -0.248 25850 3895 1 7 . 1 1 96 96 GLU H H 96 8.142 8.142 8.650 -0.508 25850 3896 1 7 . 1 1 97 97 SER N N 97 116.979 116.979 118.663 -1.684 25850 3897 1 7 . 1 1 97 97 SER HA H 97 4.472 4.472 4.414 0.058 25850 3898 1 7 . 1 1 97 97 SER C C 97 174.162 174.162 174.884 -0.722 25850 3899 1 7 . 1 1 97 97 SER CA C 97 58.070 58.070 58.372 -0.302 25850 3900 1 7 . 1 1 97 97 SER CB C 97 63.710 63.710 62.995 0.715 25850 3901 1 7 . 1 1 97 97 SER H H 97 8.381 8.381 8.639 -0.258 25850 3902 1 7 . 1 1 98 98 ILE N N 98 122.626 122.626 123.386 -0.760 25850 3903 1 7 . 1 1 98 98 ILE HA H 98 4.201 4.201 4.230 -0.029 25850 3904 1 7 . 1 1 98 98 ILE C C 98 175.921 175.921 175.601 0.320 25850 3905 1 7 . 1 1 98 98 ILE CA C 98 60.947 60.947 61.262 -0.315 25850 3906 1 7 . 1 1 98 98 ILE CB C 98 38.616 38.616 38.312 0.304 25850 3907 1 7 . 1 1 98 98 ILE H H 98 8.216 8.216 8.436 -0.220 25850 3908 1 7 . 1 1 99 99 LEU N N 99 126.765 126.765 123.405 3.360 25850 3909 1 7 . 1 1 99 99 LEU HA H 99 4.399 4.399 4.995 -0.596 25850 3910 1 7 . 1 1 99 99 LEU C C 99 176.093 176.093 176.295 -0.202 25850 3911 1 7 . 1 1 99 99 LEU CA C 99 54.853 54.853 53.854 0.999 25850 3912 1 7 . 1 1 99 99 LEU CB C 99 42.135 42.135 44.343 -2.208 25850 3913 1 7 . 1 1 99 99 LEU H H 99 8.326 8.326 8.772 -0.446 25850 3914 1 8 . 1 1 2 2 GLY C C 2 173.891 173.891 174.549 -0.658 25850 3915 1 8 . 1 1 2 2 GLY CA C 2 44.831 44.831 45.090 -0.259 25850 3916 1 8 . 1 1 3 3 SER N N 3 117.545 117.545 116.657 0.888 25850 3917 1 8 . 1 1 3 3 SER HA H 3 4.799 4.799 4.594 0.205 25850 3918 1 8 . 1 1 3 3 SER C C 3 173.162 173.162 174.813 -1.651 25850 3919 1 8 . 1 1 3 3 SER CA C 3 56.530 56.530 56.309 0.221 25850 3920 1 8 . 1 1 3 3 SER CB C 3 63.002 63.002 64.010 -1.008 25850 3921 1 8 . 1 1 3 3 SER H H 3 8.428 8.428 7.805 0.623 25850 3922 1 8 . 1 1 4 4 PRO HA H 4 4.644 4.644 4.525 0.119 25850 3923 1 8 . 1 1 4 4 PRO C C 4 178.093 178.093 178.346 -0.253 25850 3924 1 8 . 1 1 4 4 PRO CA C 4 65.378 65.378 65.373 0.006 25850 3925 1 8 . 1 1 4 4 PRO CB C 4 31.965 31.965 31.632 0.333 25850 3926 1 8 . 1 1 5 5 ASP N N 5 115.270 115.270 116.277 -1.007 25850 3927 1 8 . 1 1 5 5 ASP HA H 5 4.353 4.353 4.275 0.078 25850 3928 1 8 . 1 1 5 5 ASP C C 5 178.915 178.915 178.569 0.346 25850 3929 1 8 . 1 1 5 5 ASP CA C 5 56.796 56.796 57.825 -1.029 25850 3930 1 8 . 1 1 5 5 ASP CB C 5 40.690 40.690 39.394 1.296 25850 3931 1 8 . 1 1 5 5 ASP H H 5 8.233 8.233 8.895 -0.662 25850 3932 1 8 . 1 1 6 6 GLU N N 6 121.390 121.390 120.577 0.813 25850 3933 1 8 . 1 1 6 6 GLU HA H 6 4.027 4.027 3.963 0.064 25850 3934 1 8 . 1 1 6 6 GLU C C 6 178.836 178.836 178.779 0.057 25850 3935 1 8 . 1 1 6 6 GLU CA C 6 58.594 58.594 59.094 -0.500 25850 3936 1 8 . 1 1 6 6 GLU CB C 6 29.641 29.641 29.636 0.006 25850 3937 1 8 . 1 1 6 6 GLU H H 6 7.770 7.770 7.674 0.096 25850 3938 1 8 . 1 1 7 7 ASN N N 7 119.966 119.966 118.332 1.634 25850 3939 1 8 . 1 1 7 7 ASN HA H 7 4.155 4.155 4.065 0.090 25850 3940 1 8 . 1 1 7 7 ASN C C 7 176.723 176.723 177.545 -0.822 25850 3941 1 8 . 1 1 7 7 ASN CA C 7 55.007 55.007 55.620 -0.613 25850 3942 1 8 . 1 1 7 7 ASN CB C 7 36.627 36.627 37.932 -1.305 25850 3943 1 8 . 1 1 7 7 ASN H H 7 8.378 8.378 7.914 0.464 25850 3944 1 8 . 1 1 8 8 ILE N N 8 119.915 119.915 121.212 -1.297 25850 3945 1 8 . 1 1 8 8 ILE HA H 8 3.608 3.608 3.574 0.034 25850 3946 1 8 . 1 1 8 8 ILE CA C 8 66.495 66.495 65.925 0.570 25850 3947 1 8 . 1 1 8 8 ILE CB C 8 37.558 37.558 37.696 -0.138 25850 3948 1 8 . 1 1 8 8 ILE H H 8 8.626 8.626 8.374 0.252 25850 3949 1 8 . 1 1 9 9 ALA N N 9 121.268 121.268 120.499 0.769 25850 3950 1 8 . 1 1 9 9 ALA HA H 9 4.235 4.235 3.937 0.298 25850 3951 1 8 . 1 1 9 9 ALA C C 9 180.624 180.624 179.375 1.249 25850 3952 1 8 . 1 1 9 9 ALA CA C 9 54.922 54.922 55.111 -0.189 25850 3953 1 8 . 1 1 9 9 ALA CB C 9 17.710 17.710 17.916 -0.206 25850 3954 1 8 . 1 1 9 9 ALA H H 9 7.597 7.597 7.790 -0.193 25850 3955 1 8 . 1 1 10 10 LYS N N 10 118.798 118.798 119.146 -0.348 25850 3956 1 8 . 1 1 10 10 LYS HA H 10 4.011 4.011 4.034 -0.023 25850 3957 1 8 . 1 1 10 10 LYS C C 10 180.034 180.034 178.910 1.124 25850 3958 1 8 . 1 1 10 10 LYS CA C 10 59.264 59.264 59.015 0.249 25850 3959 1 8 . 1 1 10 10 LYS CB C 10 31.744 31.744 32.279 -0.535 25850 3960 1 8 . 1 1 10 10 LYS H H 10 7.569 7.569 7.407 0.162 25850 3961 1 8 . 1 1 11 11 PHE N N 11 121.394 121.394 118.223 3.171 25850 3962 1 8 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.404 0.324 25850 3963 1 8 . 1 1 11 11 PHE C C 11 178.445 178.445 178.537 -0.092 25850 3964 1 8 . 1 1 11 11 PHE CA C 11 59.549 59.549 59.334 0.215 25850 3965 1 8 . 1 1 11 11 PHE CB C 11 39.001 39.001 38.102 0.899 25850 3966 1 8 . 1 1 11 11 PHE H H 11 8.347 8.347 7.890 0.457 25850 3967 1 8 . 1 1 12 12 GLU N N 12 121.864 121.864 119.697 2.167 25850 3968 1 8 . 1 1 12 12 GLU HA H 12 4.127 4.127 4.147 -0.020 25850 3969 1 8 . 1 1 12 12 GLU C C 12 179.600 179.600 178.944 0.656 25850 3970 1 8 . 1 1 12 12 GLU CA C 12 59.803 59.803 59.633 0.170 25850 3971 1 8 . 1 1 12 12 GLU CB C 12 29.488 29.488 28.983 0.505 25850 3972 1 8 . 1 1 12 12 GLU H H 12 9.184 9.184 8.557 0.627 25850 3973 1 8 . 1 1 13 13 LYS N N 13 120.472 120.472 120.258 0.214 25850 3974 1 8 . 1 1 13 13 LYS HA H 13 4.127 4.127 4.171 -0.044 25850 3975 1 8 . 1 1 13 13 LYS C C 13 179.120 179.120 178.769 0.351 25850 3976 1 8 . 1 1 13 13 LYS CA C 13 59.308 59.308 59.196 0.112 25850 3977 1 8 . 1 1 13 13 LYS CB C 13 32.147 32.147 32.473 -0.326 25850 3978 1 8 . 1 1 13 13 LYS H H 13 7.800 7.800 7.681 0.119 25850 3979 1 8 . 1 1 14 14 ALA N N 14 122.753 122.753 121.127 1.626 25850 3980 1 8 . 1 1 14 14 ALA HA H 14 4.205 4.205 4.196 0.009 25850 3981 1 8 . 1 1 14 14 ALA C C 14 180.640 180.640 179.672 0.968 25850 3982 1 8 . 1 1 14 14 ALA CA C 14 54.756 54.756 54.775 -0.019 25850 3983 1 8 . 1 1 14 14 ALA CB C 14 17.913 17.913 18.253 -0.340 25850 3984 1 8 . 1 1 14 14 ALA H H 14 8.001 8.001 8.183 -0.182 25850 3985 1 8 . 1 1 15 15 TYR HA H 15 3.850 3.850 4.223 -0.373 25850 3986 1 8 . 1 1 15 15 TYR C C 15 175.898 175.898 177.365 -1.467 25850 3987 1 8 . 1 1 15 15 TYR CA C 15 62.008 62.008 61.181 0.827 25850 3988 1 8 . 1 1 15 15 TYR CB C 15 37.756 37.756 38.680 -0.924 25850 3989 1 8 . 1 1 15 15 TYR H H 15 8.906 8.906 7.895 1.011 25850 3990 1 8 . 1 1 16 16 LYS N N 16 119.082 119.082 118.516 0.566 25850 3991 1 8 . 1 1 16 16 LYS HA H 16 3.985 3.985 3.919 0.066 25850 3992 1 8 . 1 1 16 16 LYS C C 16 179.068 179.068 179.112 -0.044 25850 3993 1 8 . 1 1 16 16 LYS CA C 16 58.622 58.622 58.749 -0.127 25850 3994 1 8 . 1 1 16 16 LYS CB C 16 32.131 32.131 31.997 0.134 25850 3995 1 8 . 1 1 16 16 LYS H H 16 8.059 8.059 8.137 -0.078 25850 3996 1 8 . 1 1 17 17 LYS N N 17 119.708 119.708 119.880 -0.172 25850 3997 1 8 . 1 1 17 17 LYS HA H 17 4.142 4.142 4.144 -0.002 25850 3998 1 8 . 1 1 17 17 LYS CA C 17 57.951 57.951 58.039 -0.088 25850 3999 1 8 . 1 1 17 17 LYS CB C 17 31.802 31.802 31.955 -0.153 25850 4000 1 8 . 1 1 17 17 LYS H H 17 7.900 7.900 7.879 0.021 25850 4001 1 8 . 1 1 18 18 ALA N N 18 120.860 120.860 122.101 -1.241 25850 4002 1 8 . 1 1 18 18 ALA HA H 18 4.329 4.329 4.014 0.315 25850 4003 1 8 . 1 1 18 18 ALA C C 18 179.572 179.572 179.230 0.342 25850 4004 1 8 . 1 1 18 18 ALA CA C 18 54.110 54.110 55.297 -1.187 25850 4005 1 8 . 1 1 18 18 ALA CB C 18 18.782 18.782 18.069 0.713 25850 4006 1 8 . 1 1 18 18 ALA H H 18 7.854 7.854 7.797 0.057 25850 4007 1 8 . 1 1 19 19 GLU N N 19 120.904 120.904 118.448 2.456 25850 4008 1 8 . 1 1 19 19 GLU HA H 19 4.240 4.240 3.883 0.357 25850 4009 1 8 . 1 1 19 19 GLU C C 19 180.268 180.268 178.617 1.651 25850 4010 1 8 . 1 1 19 19 GLU CA C 19 59.147 59.147 58.543 0.604 25850 4011 1 8 . 1 1 19 19 GLU CB C 19 29.889 29.889 29.643 0.246 25850 4012 1 8 . 1 1 19 19 GLU H H 19 8.690 8.690 7.953 0.737 25850 4013 1 8 . 1 1 20 20 GLU N N 20 120.868 120.868 119.825 1.043 25850 4014 1 8 . 1 1 20 20 GLU HA H 20 4.024 4.024 4.078 -0.054 25850 4015 1 8 . 1 1 20 20 GLU C C 20 177.975 177.975 178.452 -0.477 25850 4016 1 8 . 1 1 20 20 GLU CA C 20 58.935 58.935 58.668 0.267 25850 4017 1 8 . 1 1 20 20 GLU CB C 20 29.549 29.549 29.551 -0.002 25850 4018 1 8 . 1 1 20 20 GLU H H 20 7.898 7.898 7.610 0.288 25850 4019 1 8 . 1 1 21 21 LEU N N 21 116.701 116.701 118.237 -1.536 25850 4020 1 8 . 1 1 21 21 LEU HA H 21 4.351 4.351 4.230 0.121 25850 4021 1 8 . 1 1 21 21 LEU C C 21 176.199 176.199 176.567 -0.368 25850 4022 1 8 . 1 1 21 21 LEU CA C 21 54.158 54.158 54.939 -0.781 25850 4023 1 8 . 1 1 21 21 LEU CB C 21 41.776 41.776 42.234 -0.458 25850 4024 1 8 . 1 1 21 21 LEU H H 21 7.393 7.393 7.915 -0.522 25850 4025 1 8 . 1 1 22 22 ASN N N 22 118.557 118.557 116.275 2.282 25850 4026 1 8 . 1 1 22 22 ASN HA H 22 4.278 4.278 4.357 -0.079 25850 4027 1 8 . 1 1 22 22 ASN C C 22 174.436 174.436 174.011 0.425 25850 4028 1 8 . 1 1 22 22 ASN CA C 22 54.104 54.104 53.962 0.142 25850 4029 1 8 . 1 1 22 22 ASN CB C 22 37.364 37.364 37.608 -0.244 25850 4030 1 8 . 1 1 22 22 ASN H H 22 7.994 7.994 7.468 0.526 25850 4031 1 8 . 1 1 23 23 GLN N N 23 118.344 118.344 118.086 0.258 25850 4032 1 8 . 1 1 23 23 GLN HA H 23 4.557 4.557 4.708 -0.151 25850 4033 1 8 . 1 1 23 23 GLN C C 23 176.685 176.685 175.990 0.695 25850 4034 1 8 . 1 1 23 23 GLN CA C 23 53.983 53.983 54.470 -0.487 25850 4035 1 8 . 1 1 23 23 GLN CB C 23 27.770 27.770 30.020 -2.250 25850 4036 1 8 . 1 1 23 23 GLN H H 23 8.378 8.378 7.974 0.404 25850 4037 1 8 . 1 1 24 24 GLY N N 24 113.071 113.071 113.606 -0.535 25850 4038 1 8 . 1 1 24 24 GLY C C 24 175.286 175.286 175.274 0.012 25850 4039 1 8 . 1 1 24 24 GLY CA C 24 47.823 47.823 46.962 0.861 25850 4040 1 8 . 1 1 24 24 GLY H H 24 8.468 8.468 8.930 -0.462 25850 4041 1 8 . 1 1 25 25 GLU N N 25 120.717 120.717 122.383 -1.666 25850 4042 1 8 . 1 1 25 25 GLU HA H 25 4.124 4.124 4.165 -0.041 25850 4043 1 8 . 1 1 25 25 GLU C C 25 176.495 176.495 178.661 -2.166 25850 4044 1 8 . 1 1 25 25 GLU CA C 25 59.621 59.621 58.949 0.672 25850 4045 1 8 . 1 1 25 25 GLU CB C 25 28.636 28.636 29.064 -0.428 25850 4046 1 8 . 1 1 25 25 GLU H H 25 9.067 9.067 8.020 1.047 25850 4047 1 8 . 1 1 26 26 LEU HA H 26 4.222 4.222 4.170 0.052 25850 4048 1 8 . 1 1 26 26 LEU C C 26 180.590 180.590 179.110 1.480 25850 4049 1 8 . 1 1 26 26 LEU CA C 26 56.882 56.882 57.139 -0.257 25850 4050 1 8 . 1 1 26 26 LEU CB C 26 41.231 41.231 42.065 -0.834 25850 4051 1 8 . 1 1 26 26 LEU H H 26 7.165 7.165 7.449 -0.284 25850 4052 1 8 . 1 1 27 27 MET N N 27 121.053 121.053 118.236 2.817 25850 4053 1 8 . 1 1 27 27 MET HA H 27 3.932 3.932 4.119 -0.187 25850 4054 1 8 . 1 1 27 27 MET CA C 27 59.980 59.980 59.748 0.232 25850 4055 1 8 . 1 1 27 27 MET CB C 27 34.537 34.537 32.221 2.316 25850 4056 1 8 . 1 1 27 27 MET H H 27 8.203 8.203 8.033 0.170 25850 4057 1 8 . 1 1 28 28 GLY N N 28 106.038 106.038 105.952 0.086 25850 4058 1 8 . 1 1 28 28 GLY C C 28 174.900 174.900 175.548 -0.648 25850 4059 1 8 . 1 1 28 28 GLY CA C 28 47.672 47.672 46.438 1.234 25850 4060 1 8 . 1 1 28 28 GLY H H 28 8.527 8.527 8.371 0.156 25850 4061 1 8 . 1 1 29 29 ARG N N 29 120.201 120.201 122.070 -1.869 25850 4062 1 8 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.229 -0.034 25850 4063 1 8 . 1 1 29 29 ARG C C 29 178.065 178.065 178.603 -0.538 25850 4064 1 8 . 1 1 29 29 ARG CA C 29 59.974 59.974 59.641 0.333 25850 4065 1 8 . 1 1 29 29 ARG CB C 29 30.416 30.416 30.244 0.172 25850 4066 1 8 . 1 1 29 29 ARG H H 29 8.224 8.224 7.587 0.637 25850 4067 1 8 . 1 1 30 30 ALA N N 30 121.394 121.394 122.746 -1.352 25850 4068 1 8 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.102 0.095 25850 4069 1 8 . 1 1 30 30 ALA C C 30 179.433 179.433 179.749 -0.316 25850 4070 1 8 . 1 1 30 30 ALA CA C 30 55.838 55.838 55.208 0.630 25850 4071 1 8 . 1 1 30 30 ALA CB C 30 18.269 18.269 18.310 -0.041 25850 4072 1 8 . 1 1 30 30 ALA H H 30 7.876 7.876 8.092 -0.216 25850 4073 1 8 . 1 1 31 31 LEU N N 31 116.122 116.122 118.275 -2.153 25850 4074 1 8 . 1 1 31 31 LEU HA H 31 4.003 4.003 3.835 0.168 25850 4075 1 8 . 1 1 31 31 LEU C C 31 178.416 178.416 179.138 -0.722 25850 4076 1 8 . 1 1 31 31 LEU CA C 31 57.921 57.921 57.540 0.381 25850 4077 1 8 . 1 1 31 31 LEU CB C 31 42.463 42.463 41.733 0.730 25850 4078 1 8 . 1 1 31 31 LEU H H 31 8.084 8.084 7.642 0.442 25850 4079 1 8 . 1 1 32 32 TYR N N 32 119.225 119.225 120.383 -1.158 25850 4080 1 8 . 1 1 32 32 TYR HA H 32 4.063 4.063 4.359 -0.296 25850 4081 1 8 . 1 1 32 32 TYR C C 32 176.310 176.310 177.758 -1.448 25850 4082 1 8 . 1 1 32 32 TYR CA C 32 61.992 61.992 61.273 0.719 25850 4083 1 8 . 1 1 32 32 TYR CB C 32 38.659 38.659 38.437 0.222 25850 4084 1 8 . 1 1 32 32 TYR H H 32 8.562 8.562 8.499 0.063 25850 4085 1 8 . 1 1 33 33 ASN N N 33 116.880 116.880 117.197 -0.317 25850 4086 1 8 . 1 1 33 33 ASN HA H 33 4.068 4.068 4.054 0.014 25850 4087 1 8 . 1 1 33 33 ASN C C 33 178.353 178.353 177.601 0.752 25850 4088 1 8 . 1 1 33 33 ASN CA C 33 55.858 55.858 56.498 -0.640 25850 4089 1 8 . 1 1 33 33 ASN CB C 33 35.968 35.968 37.837 -1.869 25850 4090 1 8 . 1 1 33 33 ASN H H 33 8.213 8.213 7.961 0.252 25850 4091 1 8 . 1 1 34 34 ILE N N 34 121.401 121.401 119.836 1.565 25850 4092 1 8 . 1 1 34 34 ILE HA H 34 3.300 3.300 3.736 -0.436 25850 4093 1 8 . 1 1 34 34 ILE C C 34 177.867 177.867 177.659 0.208 25850 4094 1 8 . 1 1 34 34 ILE CA C 34 66.528 66.528 65.240 1.288 25850 4095 1 8 . 1 1 34 34 ILE CB C 34 37.839 37.839 37.063 0.776 25850 4096 1 8 . 1 1 34 34 ILE H H 34 8.087 8.087 7.848 0.239 25850 4097 1 8 . 1 1 35 35 GLY N N 35 107.275 107.275 108.179 -0.904 25850 4098 1 8 . 1 1 35 35 GLY C C 35 175.048 175.048 175.743 -0.695 25850 4099 1 8 . 1 1 35 35 GLY CA C 35 48.547 48.547 46.822 1.725 25850 4100 1 8 . 1 1 35 35 GLY H H 35 7.922 7.922 7.848 0.074 25850 4101 1 8 . 1 1 36 36 LEU N N 36 120.414 120.414 122.030 -1.616 25850 4102 1 8 . 1 1 36 36 LEU HA H 36 4.048 4.048 4.068 -0.020 25850 4103 1 8 . 1 1 36 36 LEU C C 36 180.804 180.804 179.171 1.633 25850 4104 1 8 . 1 1 36 36 LEU CA C 36 58.063 58.063 57.492 0.571 25850 4105 1 8 . 1 1 36 36 LEU CB C 36 41.701 41.701 41.476 0.225 25850 4106 1 8 . 1 1 36 36 LEU H H 36 8.177 8.177 7.740 0.437 25850 4107 1 8 . 1 1 37 37 GLU N N 37 120.083 120.083 119.353 0.730 25850 4108 1 8 . 1 1 37 37 GLU HA H 37 4.075 4.075 4.038 0.037 25850 4109 1 8 . 1 1 37 37 GLU C C 37 179.517 179.517 179.262 0.255 25850 4110 1 8 . 1 1 37 37 GLU CA C 37 58.603 58.603 59.290 -0.687 25850 4111 1 8 . 1 1 37 37 GLU CB C 37 29.799 29.799 29.017 0.782 25850 4112 1 8 . 1 1 37 37 GLU H H 37 7.750 7.750 7.736 0.014 25850 4113 1 8 . 1 1 38 38 LYS N N 38 118.263 118.263 118.725 -0.462 25850 4114 1 8 . 1 1 38 38 LYS HA H 38 3.862 3.862 4.063 -0.201 25850 4115 1 8 . 1 1 38 38 LYS C C 38 179.253 179.253 178.716 0.537 25850 4116 1 8 . 1 1 38 38 LYS CA C 38 57.937 57.937 58.700 -0.763 25850 4117 1 8 . 1 1 38 38 LYS CB C 38 30.769 30.769 32.158 -1.389 25850 4118 1 8 . 1 1 38 38 LYS H H 38 8.550 8.550 7.872 0.678 25850 4119 1 8 . 1 1 39 39 ASN N N 39 118.329 118.329 117.238 1.091 25850 4120 1 8 . 1 1 39 39 ASN HA H 39 4.193 4.193 4.495 -0.302 25850 4121 1 8 . 1 1 39 39 ASN C C 39 179.428 179.428 178.071 1.357 25850 4122 1 8 . 1 1 39 39 ASN CA C 39 56.177 56.177 55.898 0.279 25850 4123 1 8 . 1 1 39 39 ASN CB C 39 38.478 38.478 38.606 -0.128 25850 4124 1 8 . 1 1 39 39 ASN H H 39 8.294 8.294 8.094 0.200 25850 4125 1 8 . 1 1 40 40 LYS N N 40 121.176 121.176 118.917 2.259 25850 4126 1 8 . 1 1 40 40 LYS HA H 40 4.047 4.047 4.243 -0.196 25850 4127 1 8 . 1 1 40 40 LYS C C 40 178.229 178.229 178.070 0.159 25850 4128 1 8 . 1 1 40 40 LYS CA C 40 59.471 59.471 58.224 1.248 25850 4129 1 8 . 1 1 40 40 LYS CB C 40 32.427 32.427 32.059 0.368 25850 4130 1 8 . 1 1 40 40 LYS H H 40 7.912 7.912 7.580 0.332 25850 4131 1 8 . 1 1 41 41 MET N N 41 114.548 114.548 117.309 -2.761 25850 4132 1 8 . 1 1 41 41 MET HA H 41 4.512 4.512 4.413 0.099 25850 4133 1 8 . 1 1 41 41 MET C C 41 175.915 175.915 176.371 -0.456 25850 4134 1 8 . 1 1 41 41 MET CA C 41 55.529 55.529 56.038 -0.509 25850 4135 1 8 . 1 1 41 41 MET CB C 41 34.022 34.022 32.781 1.241 25850 4136 1 8 . 1 1 41 41 MET H H 41 7.389 7.389 7.509 -0.120 25850 4137 1 8 . 1 1 42 42 GLY N N 42 107.409 107.409 106.281 1.128 25850 4138 1 8 . 1 1 42 42 GLY C C 42 175.041 175.041 174.984 0.057 25850 4139 1 8 . 1 1 42 42 GLY CA C 42 45.335 45.335 45.374 -0.039 25850 4140 1 8 . 1 1 42 42 GLY H H 42 7.929 7.929 7.605 0.324 25850 4141 1 8 . 1 1 43 43 LYS N N 43 124.326 124.326 122.592 1.734 25850 4142 1 8 . 1 1 43 43 LYS HA H 43 4.684 4.684 4.457 0.228 25850 4143 1 8 . 1 1 43 43 LYS C C 43 176.514 176.514 176.074 0.440 25850 4144 1 8 . 1 1 43 43 LYS CA C 43 53.791 53.791 54.889 -1.098 25850 4145 1 8 . 1 1 43 43 LYS CB C 43 30.065 30.065 31.426 -1.361 25850 4146 1 8 . 1 1 43 43 LYS H H 43 8.040 8.040 7.871 0.169 25850 4147 1 8 . 1 1 44 44 VAL N N 44 121.020 121.020 122.087 -1.067 25850 4148 1 8 . 1 1 44 44 VAL HA H 44 3.580 3.580 3.703 -0.123 25850 4149 1 8 . 1 1 44 44 VAL C C 44 177.096 177.096 177.479 -0.383 25850 4150 1 8 . 1 1 44 44 VAL CA C 44 66.166 66.166 66.128 0.038 25850 4151 1 8 . 1 1 44 44 VAL CB C 44 31.869 31.869 31.877 -0.008 25850 4152 1 8 . 1 1 44 44 VAL H H 44 7.439 7.439 7.722 -0.283 25850 4153 1 8 . 1 1 45 45 LYS N N 45 119.164 119.164 119.473 -0.309 25850 4154 1 8 . 1 1 45 45 LYS HA H 45 3.950 3.950 3.881 0.069 25850 4155 1 8 . 1 1 45 45 LYS C C 45 179.726 179.726 178.461 1.265 25850 4156 1 8 . 1 1 45 45 LYS CA C 45 60.153 60.153 60.195 -0.042 25850 4157 1 8 . 1 1 45 45 LYS CB C 45 31.446 31.446 31.618 -0.172 25850 4158 1 8 . 1 1 45 45 LYS H H 45 8.427 8.427 8.704 -0.277 25850 4159 1 8 . 1 1 46 46 GLU N N 46 118.446 118.446 119.301 -0.855 25850 4160 1 8 . 1 1 46 46 GLU HA H 46 4.092 4.092 3.912 0.180 25850 4161 1 8 . 1 1 46 46 GLU C C 46 178.490 178.490 178.350 0.140 25850 4162 1 8 . 1 1 46 46 GLU CA C 46 59.327 59.327 59.270 0.057 25850 4163 1 8 . 1 1 46 46 GLU CB C 46 29.764 29.764 28.889 0.875 25850 4164 1 8 . 1 1 46 46 GLU H H 46 7.867 7.867 8.192 -0.325 25850 4165 1 8 . 1 1 47 47 ALA N N 47 122.279 122.279 122.494 -0.215 25850 4166 1 8 . 1 1 47 47 ALA HA H 47 3.513 3.513 3.771 -0.258 25850 4167 1 8 . 1 1 47 47 ALA C C 47 178.065 178.065 179.097 -1.032 25850 4168 1 8 . 1 1 47 47 ALA CA C 47 55.905 55.905 54.995 0.910 25850 4169 1 8 . 1 1 47 47 ALA CB C 47 18.256 18.256 18.192 0.064 25850 4170 1 8 . 1 1 47 47 ALA H H 47 8.315 8.315 7.863 0.452 25850 4171 1 8 . 1 1 48 48 ILE N N 48 115.863 115.863 118.258 -2.395 25850 4172 1 8 . 1 1 48 48 ILE HA H 48 3.401 3.401 3.496 -0.095 25850 4173 1 8 . 1 1 48 48 ILE C C 48 176.808 176.808 177.991 -1.183 25850 4174 1 8 . 1 1 48 48 ILE CA C 48 66.282 66.282 65.477 0.805 25850 4175 1 8 . 1 1 48 48 ILE CB C 48 38.375 38.375 37.492 0.883 25850 4176 1 8 . 1 1 48 48 ILE H H 48 8.077 8.077 7.805 0.272 25850 4177 1 8 . 1 1 49 49 GLU N N 49 116.853 116.853 119.037 -2.184 25850 4178 1 8 . 1 1 49 49 GLU HA H 49 3.920 3.920 3.830 0.090 25850 4179 1 8 . 1 1 49 49 GLU C C 49 179.914 179.914 179.189 0.725 25850 4180 1 8 . 1 1 49 49 GLU CA C 49 59.535 59.535 59.500 0.035 25850 4181 1 8 . 1 1 49 49 GLU CB C 49 28.995 28.995 29.008 -0.013 25850 4182 1 8 . 1 1 49 49 GLU H H 49 7.175 7.175 7.801 -0.626 25850 4183 1 8 . 1 1 50 50 TYR N N 50 117.578 117.578 119.023 -1.445 25850 4184 1 8 . 1 1 50 50 TYR HA H 50 3.774 3.774 4.160 -0.386 25850 4185 1 8 . 1 1 50 50 TYR C C 50 178.462 178.462 178.549 -0.087 25850 4186 1 8 . 1 1 50 50 TYR CA C 50 64.368 64.368 61.341 3.027 25850 4187 1 8 . 1 1 50 50 TYR CB C 50 37.345 37.345 38.020 -0.675 25850 4188 1 8 . 1 1 50 50 TYR H H 50 7.676 7.676 7.653 0.023 25850 4189 1 8 . 1 1 51 51 PHE N N 51 119.480 119.480 117.668 1.812 25850 4190 1 8 . 1 1 51 51 PHE HA H 51 4.711 4.711 4.470 0.241 25850 4191 1 8 . 1 1 51 51 PHE C C 51 178.720 178.720 178.195 0.525 25850 4192 1 8 . 1 1 51 51 PHE CA C 51 58.958 58.958 59.760 -0.802 25850 4193 1 8 . 1 1 51 51 PHE CB C 51 37.771 37.771 37.970 -0.199 25850 4194 1 8 . 1 1 51 51 PHE H H 51 9.013 9.013 8.097 0.916 25850 4195 1 8 . 1 1 52 52 LEU N N 52 120.365 120.365 121.211 -0.846 25850 4196 1 8 . 1 1 52 52 LEU HA H 52 4.093 4.093 3.940 0.153 25850 4197 1 8 . 1 1 52 52 LEU C C 52 180.229 180.229 178.971 1.258 25850 4198 1 8 . 1 1 52 52 LEU CA C 52 58.252 58.252 58.504 -0.252 25850 4199 1 8 . 1 1 52 52 LEU CB C 52 42.160 42.160 41.552 0.608 25850 4200 1 8 . 1 1 52 52 LEU H H 52 8.906 8.906 8.563 0.343 25850 4201 1 8 . 1 1 53 53 ARG N N 53 119.294 119.294 118.690 0.604 25850 4202 1 8 . 1 1 53 53 ARG HA H 53 3.929 3.929 3.991 -0.062 25850 4203 1 8 . 1 1 53 53 ARG C C 53 179.087 179.087 178.581 0.506 25850 4204 1 8 . 1 1 53 53 ARG CA C 53 59.580 59.580 59.636 -0.056 25850 4205 1 8 . 1 1 53 53 ARG CB C 53 31.418 31.418 29.901 1.517 25850 4206 1 8 . 1 1 53 53 ARG H H 53 7.846 7.846 8.151 -0.305 25850 4207 1 8 . 1 1 54 54 ALA N N 54 121.351 121.351 122.238 -0.887 25850 4208 1 8 . 1 1 54 54 ALA HA H 54 3.693 3.693 3.890 -0.197 25850 4209 1 8 . 1 1 54 54 ALA C C 54 177.631 177.631 178.988 -1.357 25850 4210 1 8 . 1 1 54 54 ALA CA C 54 55.115 55.115 55.470 -0.355 25850 4211 1 8 . 1 1 54 54 ALA CB C 54 17.612 17.612 18.421 -0.809 25850 4212 1 8 . 1 1 54 54 ALA H H 54 8.892 8.892 8.454 0.438 25850 4213 1 8 . 1 1 55 55 LYS N N 55 117.135 117.135 118.949 -1.814 25850 4214 1 8 . 1 1 55 55 LYS HA H 55 3.835 3.835 4.295 -0.460 25850 4215 1 8 . 1 1 55 55 LYS C C 55 176.970 176.970 178.571 -1.601 25850 4216 1 8 . 1 1 55 55 LYS CA C 55 60.725 60.725 59.784 0.941 25850 4217 1 8 . 1 1 55 55 LYS CB C 55 32.602 32.602 32.394 0.208 25850 4218 1 8 . 1 1 55 55 LYS H H 55 8.626 8.626 7.976 0.650 25850 4219 1 8 . 1 1 56 56 LYS N N 56 116.695 116.695 119.933 -3.238 25850 4220 1 8 . 1 1 56 56 LYS HA H 56 4.171 4.171 4.277 -0.106 25850 4221 1 8 . 1 1 56 56 LYS C C 56 180.037 180.037 179.199 0.838 25850 4222 1 8 . 1 1 56 56 LYS CA C 56 59.606 59.606 59.347 0.259 25850 4223 1 8 . 1 1 56 56 LYS CB C 56 32.349 32.349 32.302 0.047 25850 4224 1 8 . 1 1 56 56 LYS H H 56 7.652 7.652 7.922 -0.270 25850 4225 1 8 . 1 1 57 57 VAL N N 57 120.809 120.809 119.140 1.669 25850 4226 1 8 . 1 1 57 57 VAL HA H 57 3.753 3.753 3.618 0.135 25850 4227 1 8 . 1 1 57 57 VAL C C 57 178.174 178.174 177.955 0.219 25850 4228 1 8 . 1 1 57 57 VAL CA C 57 66.226 66.226 66.182 0.044 25850 4229 1 8 . 1 1 57 57 VAL CB C 57 31.424 31.424 31.613 -0.189 25850 4230 1 8 . 1 1 57 57 VAL H H 57 7.583 7.583 7.805 -0.222 25850 4231 1 8 . 1 1 58 58 PHE N N 58 118.864 118.864 119.184 -0.320 25850 4232 1 8 . 1 1 58 58 PHE HA H 58 4.521 4.521 4.106 0.415 25850 4233 1 8 . 1 1 58 58 PHE C C 58 179.187 179.187 177.626 1.561 25850 4234 1 8 . 1 1 58 58 PHE CA C 58 59.849 59.849 61.506 -1.657 25850 4235 1 8 . 1 1 58 58 PHE CB C 58 37.753 37.753 37.938 -0.185 25850 4236 1 8 . 1 1 58 58 PHE H H 58 8.871 8.871 7.877 0.994 25850 4237 1 8 . 1 1 59 59 ASP N N 59 119.714 119.714 119.500 0.214 25850 4238 1 8 . 1 1 59 59 ASP HA H 59 4.444 4.444 4.415 0.029 25850 4239 1 8 . 1 1 59 59 ASP C C 59 180.066 180.066 178.499 1.567 25850 4240 1 8 . 1 1 59 59 ASP CA C 59 57.201 57.201 57.530 -0.329 25850 4241 1 8 . 1 1 59 59 ASP CB C 59 39.713 39.713 40.458 -0.745 25850 4242 1 8 . 1 1 59 59 ASP H H 59 9.157 9.157 8.394 0.763 25850 4243 1 8 . 1 1 60 60 ALA N N 60 124.290 124.290 121.666 2.624 25850 4244 1 8 . 1 1 60 60 ALA HA H 60 4.087 4.087 3.975 0.112 25850 4245 1 8 . 1 1 60 60 ALA C C 60 179.389 179.389 178.925 0.464 25850 4246 1 8 . 1 1 60 60 ALA CA C 60 54.760 54.760 54.157 0.602 25850 4247 1 8 . 1 1 60 60 ALA CB C 60 18.025 18.025 18.692 -0.667 25850 4248 1 8 . 1 1 60 60 ALA H H 60 7.742 7.742 7.481 0.261 25850 4249 1 8 . 1 1 61 61 GLU N N 61 114.493 114.493 115.940 -1.447 25850 4250 1 8 . 1 1 61 61 GLU HA H 61 4.259 4.259 4.142 0.117 25850 4251 1 8 . 1 1 61 61 GLU C C 61 175.970 175.970 176.296 -0.326 25850 4252 1 8 . 1 1 61 61 GLU CA C 61 55.049 55.049 56.459 -1.410 25850 4253 1 8 . 1 1 61 61 GLU CB C 61 29.724 29.724 30.001 -0.277 25850 4254 1 8 . 1 1 61 61 GLU H H 61 7.908 7.908 7.806 0.102 25850 4255 1 8 . 1 1 62 62 HIS N N 62 115.130 115.130 113.496 1.634 25850 4256 1 8 . 1 1 62 62 HIS HA H 62 4.264 4.264 4.260 0.004 25850 4257 1 8 . 1 1 62 62 HIS C C 62 173.916 173.916 173.924 -0.008 25850 4258 1 8 . 1 1 62 62 HIS CA C 62 56.531 56.531 56.997 -0.466 25850 4259 1 8 . 1 1 62 62 HIS CB C 62 26.039 26.039 27.091 -1.052 25850 4260 1 8 . 1 1 62 62 HIS H H 62 7.830 7.830 7.462 0.368 25850 4261 1 8 . 1 1 63 63 ASP N N 63 118.507 118.507 119.654 -1.147 25850 4262 1 8 . 1 1 63 63 ASP HA H 63 4.854 4.854 4.889 -0.035 25850 4263 1 8 . 1 1 63 63 ASP C C 63 176.143 176.143 176.325 -0.182 25850 4264 1 8 . 1 1 63 63 ASP CA C 63 52.127 52.127 52.704 -0.577 25850 4265 1 8 . 1 1 63 63 ASP CB C 63 40.068 40.068 41.087 -1.019 25850 4266 1 8 . 1 1 63 63 ASP H H 63 8.521 8.521 8.121 0.400 25850 4267 1 8 . 1 1 64 64 THR N N 64 119.037 119.037 121.103 -2.066 25850 4268 1 8 . 1 1 64 64 THR HA H 64 3.869 3.869 4.002 -0.133 25850 4269 1 8 . 1 1 64 64 THR C C 64 176.814 176.814 175.430 1.384 25850 4270 1 8 . 1 1 64 64 THR CA C 64 65.198 65.198 65.041 0.157 25850 4271 1 8 . 1 1 64 64 THR CB C 64 68.315 68.315 68.859 -0.544 25850 4272 1 8 . 1 1 64 64 THR H H 64 7.907 7.907 8.288 -0.381 25850 4273 1 8 . 1 1 65 65 ASP N N 65 122.892 122.892 121.090 1.802 25850 4274 1 8 . 1 1 65 65 ASP HA H 65 4.287 4.287 4.272 0.015 25850 4275 1 8 . 1 1 65 65 ASP C C 65 178.326 178.326 178.104 0.222 25850 4276 1 8 . 1 1 65 65 ASP CA C 65 57.350 57.350 57.510 -0.160 25850 4277 1 8 . 1 1 65 65 ASP CB C 65 41.121 41.121 40.460 0.661 25850 4278 1 8 . 1 1 65 65 ASP H H 65 8.375 8.375 8.174 0.201 25850 4279 1 8 . 1 1 66 66 GLY N N 66 109.334 109.334 106.059 3.275 25850 4280 1 8 . 1 1 66 66 GLY C C 66 175.861 175.861 175.055 0.806 25850 4281 1 8 . 1 1 66 66 GLY CA C 66 46.136 46.136 45.883 0.253 25850 4282 1 8 . 1 1 66 66 GLY H H 66 8.234 8.234 7.852 0.382 25850 4283 1 8 . 1 1 67 67 ALA N N 67 122.888 122.888 124.311 -1.423 25850 4284 1 8 . 1 1 67 67 ALA HA H 67 3.892 3.892 3.988 -0.096 25850 4285 1 8 . 1 1 67 67 ALA C C 67 179.384 179.384 179.377 0.007 25850 4286 1 8 . 1 1 67 67 ALA CA C 67 55.960 55.960 54.471 1.489 25850 4287 1 8 . 1 1 67 67 ALA CB C 67 18.611 18.611 18.536 0.075 25850 4288 1 8 . 1 1 67 67 ALA H H 67 7.949 7.949 7.166 0.783 25850 4289 1 8 . 1 1 68 68 ARG N N 68 118.221 118.221 117.784 0.437 25850 4290 1 8 . 1 1 68 68 ARG HA H 68 3.993 3.993 4.027 -0.034 25850 4291 1 8 . 1 1 68 68 ARG C C 68 179.355 179.355 178.949 0.406 25850 4292 1 8 . 1 1 68 68 ARG CA C 68 59.234 59.234 59.115 0.119 25850 4293 1 8 . 1 1 68 68 ARG CB C 68 29.799 29.799 30.018 -0.219 25850 4294 1 8 . 1 1 68 68 ARG H H 68 7.917 7.917 7.936 -0.019 25850 4295 1 8 . 1 1 69 69 ARG N N 69 120.551 120.551 119.531 1.020 25850 4296 1 8 . 1 1 69 69 ARG HA H 69 3.923 3.923 3.907 0.016 25850 4297 1 8 . 1 1 69 69 ARG C C 69 179.120 179.120 177.978 1.142 25850 4298 1 8 . 1 1 69 69 ARG CA C 69 59.310 59.310 58.366 0.944 25850 4299 1 8 . 1 1 69 69 ARG CB C 69 29.189 29.189 28.992 0.197 25850 4300 1 8 . 1 1 69 69 ARG H H 69 7.749 7.749 7.657 0.092 25850 4301 1 8 . 1 1 70 70 ALA N N 70 121.098 121.098 120.449 0.649 25850 4302 1 8 . 1 1 70 70 ALA HA H 70 4.016 4.016 4.069 -0.053 25850 4303 1 8 . 1 1 70 70 ALA C C 70 178.438 178.438 179.556 -1.118 25850 4304 1 8 . 1 1 70 70 ALA CA C 70 55.536 55.536 54.614 0.922 25850 4305 1 8 . 1 1 70 70 ALA CB C 70 17.216 17.216 18.259 -1.043 25850 4306 1 8 . 1 1 70 70 ALA H H 70 8.245 8.245 7.651 0.594 25850 4307 1 8 . 1 1 71 71 ALA N N 71 119.333 119.333 120.583 -1.250 25850 4308 1 8 . 1 1 71 71 ALA HA H 71 4.047 4.047 4.169 -0.122 25850 4309 1 8 . 1 1 71 71 ALA C C 71 180.219 180.219 179.352 0.867 25850 4310 1 8 . 1 1 71 71 ALA CA C 71 55.083 55.083 54.769 0.314 25850 4311 1 8 . 1 1 71 71 ALA CB C 71 18.198 18.198 18.336 -0.138 25850 4312 1 8 . 1 1 71 71 ALA H H 71 8.565 8.565 7.938 0.627 25850 4313 1 8 . 1 1 72 72 LYS N N 72 121.188 121.188 119.266 1.922 25850 4314 1 8 . 1 1 72 72 LYS HA H 72 4.107 4.107 4.042 0.065 25850 4315 1 8 . 1 1 72 72 LYS C C 72 179.155 179.155 178.471 0.684 25850 4316 1 8 . 1 1 72 72 LYS CA C 72 59.271 59.271 59.359 -0.089 25850 4317 1 8 . 1 1 72 72 LYS CB C 72 31.786 31.786 32.404 -0.618 25850 4318 1 8 . 1 1 72 72 LYS H H 72 8.108 8.108 8.140 -0.032 25850 4319 1 8 . 1 1 73 73 SER N N 73 116.976 116.976 115.048 1.928 25850 4320 1 8 . 1 1 73 73 SER HA H 73 3.957 3.957 4.128 -0.171 25850 4321 1 8 . 1 1 73 73 SER C C 73 176.394 176.394 176.560 -0.166 25850 4322 1 8 . 1 1 73 73 SER CA C 73 62.753 62.753 60.701 2.052 25850 4323 1 8 . 1 1 73 73 SER CB C 73 60.718 60.718 62.437 -1.718 25850 4324 1 8 . 1 1 73 73 SER H H 73 8.057 8.057 7.626 0.431 25850 4325 1 8 . 1 1 74 74 LEU N N 74 123.741 123.741 122.265 1.476 25850 4326 1 8 . 1 1 74 74 LEU HA H 74 3.831 3.831 4.025 -0.194 25850 4327 1 8 . 1 1 74 74 LEU C C 74 176.704 176.704 178.415 -1.711 25850 4328 1 8 . 1 1 74 74 LEU CA C 74 58.545 58.545 58.082 0.463 25850 4329 1 8 . 1 1 74 74 LEU CB C 74 41.862 41.862 41.917 -0.055 25850 4330 1 8 . 1 1 74 74 LEU H H 74 8.341 8.341 8.029 0.312 25850 4331 1 8 . 1 1 75 75 SER N N 75 113.508 113.508 114.451 -0.943 25850 4332 1 8 . 1 1 75 75 SER HA H 75 4.277 4.277 4.241 0.036 25850 4333 1 8 . 1 1 75 75 SER C C 75 177.668 177.668 176.948 0.720 25850 4334 1 8 . 1 1 75 75 SER CA C 75 61.926 61.926 61.953 -0.027 25850 4335 1 8 . 1 1 75 75 SER CB C 75 62.702 62.702 62.888 -0.186 25850 4336 1 8 . 1 1 75 75 SER H H 75 8.055 8.055 7.955 0.100 25850 4337 1 8 . 1 1 76 76 GLU N N 76 119.999 119.999 120.374 -0.375 25850 4338 1 8 . 1 1 76 76 GLU HA H 76 4.041 4.041 4.059 -0.018 25850 4339 1 8 . 1 1 76 76 GLU C C 76 178.836 178.836 178.901 -0.065 25850 4340 1 8 . 1 1 76 76 GLU CA C 76 58.928 58.928 59.151 -0.223 25850 4341 1 8 . 1 1 76 76 GLU CB C 76 29.684 29.684 29.406 0.278 25850 4342 1 8 . 1 1 76 76 GLU H H 76 7.874 7.874 7.908 -0.034 25850 4343 1 8 . 1 1 77 77 ALA N N 77 123.551 123.551 122.026 1.525 25850 4344 1 8 . 1 1 77 77 ALA HA H 77 4.242 4.242 4.112 0.130 25850 4345 1 8 . 1 1 77 77 ALA C C 77 180.005 180.005 179.840 0.165 25850 4346 1 8 . 1 1 77 77 ALA CA C 77 55.031 55.031 54.782 0.249 25850 4347 1 8 . 1 1 77 77 ALA CB C 77 18.237 18.237 18.355 -0.118 25850 4348 1 8 . 1 1 77 77 ALA H H 77 8.043 8.043 7.780 0.263 25850 4349 1 8 . 1 1 78 78 TYR N N 78 116.371 116.371 116.933 -0.562 25850 4350 1 8 . 1 1 78 78 TYR HA H 78 4.418 4.418 4.146 0.272 25850 4351 1 8 . 1 1 78 78 TYR C C 78 178.901 178.901 178.606 0.295 25850 4352 1 8 . 1 1 78 78 TYR CA C 78 60.302 60.302 61.774 -1.472 25850 4353 1 8 . 1 1 78 78 TYR CB C 78 37.416 37.416 37.953 -0.537 25850 4354 1 8 . 1 1 78 78 TYR H H 78 8.699 8.699 8.516 0.183 25850 4355 1 8 . 1 1 79 79 GLN N N 79 116.649 116.649 118.964 -2.315 25850 4356 1 8 . 1 1 79 79 GLN HA H 79 4.212 4.212 4.105 0.107 25850 4357 1 8 . 1 1 79 79 GLN C C 79 177.778 177.778 178.198 -0.420 25850 4358 1 8 . 1 1 79 79 GLN CA C 79 57.922 57.922 59.099 -1.177 25850 4359 1 8 . 1 1 79 79 GLN CB C 79 28.659 28.659 28.343 0.316 25850 4360 1 8 . 1 1 79 79 GLN H H 79 7.667 7.667 7.987 -0.320 25850 4361 1 8 . 1 1 80 80 LYS N N 80 118.855 118.855 118.530 0.325 25850 4362 1 8 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.172 0.121 25850 4363 1 8 . 1 1 80 80 LYS C C 80 178.038 178.038 178.585 -0.547 25850 4364 1 8 . 1 1 80 80 LYS CA C 80 57.474 57.474 58.883 -1.409 25850 4365 1 8 . 1 1 80 80 LYS CB C 80 32.816 32.816 32.372 0.444 25850 4366 1 8 . 1 1 80 80 LYS H H 80 7.766 7.766 7.655 0.111 25850 4367 1 8 . 1 1 81 81 VAL N N 81 117.863 117.863 119.265 -1.402 25850 4368 1 8 . 1 1 81 81 VAL HA H 81 4.076 4.076 3.956 0.120 25850 4369 1 8 . 1 1 81 81 VAL C C 81 176.805 176.805 175.986 0.819 25850 4370 1 8 . 1 1 81 81 VAL CA C 81 63.409 63.409 64.337 -0.928 25850 4371 1 8 . 1 1 81 81 VAL CB C 81 32.423 32.423 32.478 -0.055 25850 4372 1 8 . 1 1 81 81 VAL H H 81 7.821 7.821 7.635 0.186 25850 4373 1 8 . 1 1 82 82 GLU N N 82 122.552 122.552 120.863 1.689 25850 4374 1 8 . 1 1 82 82 GLU HA H 82 4.277 4.277 4.132 0.145 25850 4375 1 8 . 1 1 82 82 GLU C C 82 177.559 177.559 177.130 0.429 25850 4376 1 8 . 1 1 82 82 GLU CA C 82 57.300 57.300 57.927 -0.627 25850 4377 1 8 . 1 1 82 82 GLU CB C 82 29.927 29.927 30.085 -0.159 25850 4378 1 8 . 1 1 82 82 GLU H H 82 8.329 8.329 7.861 0.468 25850 4379 1 8 . 1 1 83 83 GLY N N 83 109.040 109.040 113.204 -4.164 25850 4380 1 8 . 1 1 83 83 GLY C C 83 174.590 174.590 174.311 0.279 25850 4381 1 8 . 1 1 83 83 GLY CA C 83 45.530 45.530 45.096 0.434 25850 4382 1 8 . 1 1 83 83 GLY H H 83 8.309 8.309 8.769 -0.460 25850 4383 1 8 . 1 1 84 84 SER N N 84 115.258 115.258 117.235 -1.977 25850 4384 1 8 . 1 1 84 84 SER HA H 84 4.495 4.495 4.203 0.292 25850 4385 1 8 . 1 1 84 84 SER C C 84 175.217 175.217 175.298 -0.081 25850 4386 1 8 . 1 1 84 84 SER CA C 84 58.580 58.580 59.858 -1.278 25850 4387 1 8 . 1 1 84 84 SER CB C 84 63.827 63.827 61.746 2.081 25850 4388 1 8 . 1 1 84 84 SER H H 84 8.180 8.180 8.132 0.048 25850 4389 1 8 . 1 1 85 85 GLY N N 85 110.681 110.681 115.548 -4.867 25850 4390 1 8 . 1 1 85 85 GLY C C 85 174.063 174.063 173.215 0.848 25850 4391 1 8 . 1 1 85 85 GLY CA C 85 45.395 45.395 44.609 0.786 25850 4392 1 8 . 1 1 85 85 GLY H H 85 8.472 8.472 8.071 0.401 25850 4393 1 8 . 1 1 86 86 ASP N N 86 120.537 120.537 124.862 -4.325 25850 4394 1 8 . 1 1 86 86 ASP HA H 86 4.597 4.597 4.756 -0.159 25850 4395 1 8 . 1 1 86 86 ASP C C 86 176.761 176.761 176.442 0.319 25850 4396 1 8 . 1 1 86 86 ASP CA C 86 54.451 54.451 53.876 0.575 25850 4397 1 8 . 1 1 86 86 ASP CB C 86 41.069 41.069 40.327 0.742 25850 4398 1 8 . 1 1 86 86 ASP H H 86 8.272 8.272 8.511 -0.239 25850 4399 1 8 . 1 1 87 87 LYS N N 87 121.608 121.608 124.218 -2.610 25850 4400 1 8 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.479 -0.233 25850 4401 1 8 . 1 1 87 87 LYS C C 87 177.342 177.342 176.321 1.021 25850 4402 1 8 . 1 1 87 87 LYS CA C 87 56.545 56.545 56.344 0.200 25850 4403 1 8 . 1 1 87 87 LYS CB C 87 32.302 32.302 33.217 -0.915 25850 4404 1 8 . 1 1 87 87 LYS H H 87 8.344 8.344 8.715 -0.371 25850 4405 1 8 . 1 1 88 88 GLY N N 88 108.711 108.711 107.105 1.606 25850 4406 1 8 . 1 1 88 88 GLY C C 88 174.216 174.216 172.606 1.610 25850 4407 1 8 . 1 1 88 88 GLY CA C 88 45.339 45.339 44.456 0.883 25850 4408 1 8 . 1 1 88 88 GLY H H 88 8.449 8.449 7.463 0.986 25850 4409 1 8 . 1 1 89 89 LYS N N 89 120.508 120.508 120.820 -0.312 25850 4410 1 8 . 1 1 89 89 LYS HA H 89 4.266 4.266 4.228 0.038 25850 4411 1 8 . 1 1 89 89 LYS C C 89 176.464 176.464 176.404 0.060 25850 4412 1 8 . 1 1 89 89 LYS CA C 89 56.214 56.214 56.203 0.011 25850 4413 1 8 . 1 1 89 89 LYS CB C 89 32.824 32.824 32.763 0.061 25850 4414 1 8 . 1 1 89 89 LYS H H 89 7.958 7.958 8.187 -0.229 25850 4415 1 8 . 1 1 90 90 ILE N N 90 121.127 121.127 125.575 -4.448 25850 4416 1 8 . 1 1 90 90 ILE HA H 90 4.091 4.091 4.104 -0.013 25850 4417 1 8 . 1 1 90 90 ILE C C 90 175.896 175.896 176.199 -0.303 25850 4418 1 8 . 1 1 90 90 ILE CA C 90 61.022 61.022 61.575 -0.553 25850 4419 1 8 . 1 1 90 90 ILE CB C 90 38.488 38.488 37.861 0.627 25850 4420 1 8 . 1 1 90 90 ILE H H 90 8.005 8.005 8.321 -0.316 25850 4421 1 8 . 1 1 91 91 PHE N N 91 123.843 123.843 127.648 -3.805 25850 4422 1 8 . 1 1 91 91 PHE HA H 91 4.615 4.615 4.609 0.006 25850 4423 1 8 . 1 1 91 91 PHE C C 91 175.327 175.327 175.708 -0.381 25850 4424 1 8 . 1 1 91 91 PHE CA C 91 57.565 57.565 57.690 -0.124 25850 4425 1 8 . 1 1 91 91 PHE CB C 91 39.457 39.457 39.800 -0.343 25850 4426 1 8 . 1 1 91 91 PHE H H 91 8.283 8.283 8.570 -0.287 25850 4427 1 8 . 1 1 92 92 GLN N N 92 122.349 122.349 122.620 -0.271 25850 4428 1 8 . 1 1 92 92 GLN HA H 92 4.296 4.296 4.402 -0.106 25850 4429 1 8 . 1 1 92 92 GLN C C 92 175.338 175.338 175.846 -0.508 25850 4430 1 8 . 1 1 92 92 GLN CA C 92 55.492 55.492 55.653 -0.161 25850 4431 1 8 . 1 1 92 92 GLN CB C 92 29.708 29.708 29.577 0.131 25850 4432 1 8 . 1 1 92 92 GLN H H 92 8.212 8.212 8.480 -0.268 25850 4433 1 8 . 1 1 93 93 LYS N N 93 123.137 123.137 125.447 -2.310 25850 4434 1 8 . 1 1 93 93 LYS HA H 93 4.250 4.250 4.306 -0.056 25850 4435 1 8 . 1 1 93 93 LYS C C 93 176.492 176.492 177.269 -0.777 25850 4436 1 8 . 1 1 93 93 LYS CA C 93 56.272 56.272 56.627 -0.355 25850 4437 1 8 . 1 1 93 93 LYS CB C 93 33.055 33.055 32.619 0.436 25850 4438 1 8 . 1 1 93 93 LYS H H 93 8.364 8.364 8.496 -0.132 25850 4439 1 8 . 1 1 94 94 GLU N N 94 122.671 122.671 122.319 0.352 25850 4440 1 8 . 1 1 94 94 GLU HA H 94 4.246 4.246 4.195 0.051 25850 4441 1 8 . 1 1 94 94 GLU C C 94 177.008 177.008 177.584 -0.576 25850 4442 1 8 . 1 1 94 94 GLU CA C 94 56.848 56.848 57.705 -0.857 25850 4443 1 8 . 1 1 94 94 GLU CB C 94 30.054 30.054 29.776 0.278 25850 4444 1 8 . 1 1 94 94 GLU H H 94 8.571 8.571 8.624 -0.053 25850 4445 1 8 . 1 1 95 95 GLY N N 95 110.337 110.337 108.000 2.337 25850 4446 1 8 . 1 1 95 95 GLY C C 95 174.070 174.070 173.866 0.204 25850 4447 1 8 . 1 1 95 95 GLY CA C 95 45.191 45.191 44.825 0.366 25850 4448 1 8 . 1 1 95 95 GLY H H 95 8.490 8.490 8.089 0.401 25850 4449 1 8 . 1 1 96 96 GLU N N 96 120.183 120.183 120.141 0.042 25850 4450 1 8 . 1 1 96 96 GLU HA H 96 4.339 4.339 4.287 0.052 25850 4451 1 8 . 1 1 96 96 GLU C C 96 176.463 176.463 176.003 0.460 25850 4452 1 8 . 1 1 96 96 GLU CA C 96 56.204 56.204 56.048 0.156 25850 4453 1 8 . 1 1 96 96 GLU CB C 96 30.433 30.433 30.118 0.315 25850 4454 1 8 . 1 1 96 96 GLU H H 96 8.142 8.142 8.191 -0.049 25850 4455 1 8 . 1 1 97 97 SER N N 97 116.979 116.979 117.065 -0.086 25850 4456 1 8 . 1 1 97 97 SER HA H 97 4.472 4.472 4.503 -0.031 25850 4457 1 8 . 1 1 97 97 SER C C 97 174.162 174.162 174.859 -0.697 25850 4458 1 8 . 1 1 97 97 SER CA C 97 58.070 58.070 57.827 0.243 25850 4459 1 8 . 1 1 97 97 SER CB C 97 63.710 63.710 63.456 0.254 25850 4460 1 8 . 1 1 97 97 SER H H 97 8.381 8.381 8.480 -0.099 25850 4461 1 8 . 1 1 98 98 ILE N N 98 122.626 122.626 123.712 -1.086 25850 4462 1 8 . 1 1 98 98 ILE HA H 98 4.201 4.201 4.563 -0.362 25850 4463 1 8 . 1 1 98 98 ILE C C 98 175.921 175.921 175.285 0.636 25850 4464 1 8 . 1 1 98 98 ILE CA C 98 60.947 60.947 60.493 0.454 25850 4465 1 8 . 1 1 98 98 ILE CB C 98 38.616 38.616 37.731 0.885 25850 4466 1 8 . 1 1 98 98 ILE H H 98 8.216 8.216 8.666 -0.450 25850 4467 1 8 . 1 1 99 99 LEU N N 99 126.765 126.765 123.120 3.645 25850 4468 1 8 . 1 1 99 99 LEU HA H 99 4.399 4.399 4.403 -0.004 25850 4469 1 8 . 1 1 99 99 LEU C C 99 176.093 176.093 177.484 -1.391 25850 4470 1 8 . 1 1 99 99 LEU CA C 99 54.853 54.853 55.466 -0.613 25850 4471 1 8 . 1 1 99 99 LEU CB C 99 42.135 42.135 42.306 -0.171 25850 4472 1 8 . 1 1 99 99 LEU H H 99 8.326 8.326 7.841 0.485 25850 4473 1 9 . 1 1 2 2 GLY C C 2 173.891 173.891 173.894 -0.003 25850 4474 1 9 . 1 1 2 2 GLY CA C 2 44.831 44.831 45.357 -0.526 25850 4475 1 9 . 1 1 3 3 SER N N 3 117.545 117.545 116.699 0.846 25850 4476 1 9 . 1 1 3 3 SER HA H 3 4.799 4.799 4.569 0.230 25850 4477 1 9 . 1 1 3 3 SER C C 3 173.162 173.162 174.072 -0.910 25850 4478 1 9 . 1 1 3 3 SER CA C 3 56.530 56.530 56.665 -0.135 25850 4479 1 9 . 1 1 3 3 SER CB C 3 63.002 63.002 63.377 -0.375 25850 4480 1 9 . 1 1 3 3 SER H H 3 8.428 8.428 7.820 0.608 25850 4481 1 9 . 1 1 4 4 PRO HA H 4 4.644 4.644 4.490 0.154 25850 4482 1 9 . 1 1 4 4 PRO C C 4 178.093 178.093 177.636 0.457 25850 4483 1 9 . 1 1 4 4 PRO CA C 4 65.378 65.378 65.321 0.057 25850 4484 1 9 . 1 1 4 4 PRO CB C 4 31.965 31.965 32.066 -0.101 25850 4485 1 9 . 1 1 5 5 ASP N N 5 115.270 115.270 115.577 -0.307 25850 4486 1 9 . 1 1 5 5 ASP HA H 5 4.353 4.353 4.294 0.059 25850 4487 1 9 . 1 1 5 5 ASP C C 5 178.915 178.915 178.121 0.794 25850 4488 1 9 . 1 1 5 5 ASP CA C 5 56.796 56.796 57.101 -0.305 25850 4489 1 9 . 1 1 5 5 ASP CB C 5 40.690 40.690 39.773 0.916 25850 4490 1 9 . 1 1 5 5 ASP H H 5 8.233 8.233 8.477 -0.244 25850 4491 1 9 . 1 1 6 6 GLU N N 6 121.390 121.390 120.441 0.949 25850 4492 1 9 . 1 1 6 6 GLU HA H 6 4.027 4.027 4.015 0.012 25850 4493 1 9 . 1 1 6 6 GLU C C 6 178.836 178.836 178.651 0.185 25850 4494 1 9 . 1 1 6 6 GLU CA C 6 58.594 58.594 59.110 -0.516 25850 4495 1 9 . 1 1 6 6 GLU CB C 6 29.641 29.641 29.314 0.327 25850 4496 1 9 . 1 1 6 6 GLU H H 6 7.770 7.770 8.569 -0.799 25850 4497 1 9 . 1 1 7 7 ASN N N 7 119.966 119.966 117.543 2.423 25850 4498 1 9 . 1 1 7 7 ASN HA H 7 4.155 4.155 4.207 -0.052 25850 4499 1 9 . 1 1 7 7 ASN C C 7 176.723 176.723 177.486 -0.763 25850 4500 1 9 . 1 1 7 7 ASN CA C 7 55.007 55.007 55.213 -0.206 25850 4501 1 9 . 1 1 7 7 ASN CB C 7 36.627 36.627 38.089 -1.462 25850 4502 1 9 . 1 1 7 7 ASN H H 7 8.378 8.378 7.918 0.461 25850 4503 1 9 . 1 1 8 8 ILE N N 8 119.915 119.915 121.863 -1.948 25850 4504 1 9 . 1 1 8 8 ILE HA H 8 3.608 3.608 3.618 -0.010 25850 4505 1 9 . 1 1 8 8 ILE CA C 8 66.495 66.495 65.831 0.664 25850 4506 1 9 . 1 1 8 8 ILE CB C 8 37.558 37.558 37.705 -0.146 25850 4507 1 9 . 1 1 8 8 ILE H H 8 8.626 8.626 8.087 0.539 25850 4508 1 9 . 1 1 9 9 ALA N N 9 121.268 121.268 120.856 0.412 25850 4509 1 9 . 1 1 9 9 ALA HA H 9 4.235 4.235 3.954 0.281 25850 4510 1 9 . 1 1 9 9 ALA C C 9 180.624 180.624 179.366 1.258 25850 4511 1 9 . 1 1 9 9 ALA CA C 9 54.922 54.922 55.316 -0.394 25850 4512 1 9 . 1 1 9 9 ALA CB C 9 17.710 17.710 18.010 -0.300 25850 4513 1 9 . 1 1 9 9 ALA H H 9 7.597 7.597 7.886 -0.289 25850 4514 1 9 . 1 1 10 10 LYS N N 10 118.798 118.798 119.295 -0.497 25850 4515 1 9 . 1 1 10 10 LYS HA H 10 4.011 4.011 4.069 -0.058 25850 4516 1 9 . 1 1 10 10 LYS C C 10 180.034 180.034 178.964 1.070 25850 4517 1 9 . 1 1 10 10 LYS CA C 10 59.264 59.264 58.127 1.137 25850 4518 1 9 . 1 1 10 10 LYS CB C 10 31.744 31.744 32.014 -0.270 25850 4519 1 9 . 1 1 10 10 LYS H H 10 7.569 7.569 7.276 0.293 25850 4520 1 9 . 1 1 11 11 PHE N N 11 121.394 121.394 118.263 3.131 25850 4521 1 9 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.481 0.247 25850 4522 1 9 . 1 1 11 11 PHE C C 11 178.445 178.445 178.413 0.032 25850 4523 1 9 . 1 1 11 11 PHE CA C 11 59.549 59.549 59.474 0.075 25850 4524 1 9 . 1 1 11 11 PHE CB C 11 39.001 39.001 38.385 0.616 25850 4525 1 9 . 1 1 11 11 PHE H H 11 8.347 8.347 8.304 0.043 25850 4526 1 9 . 1 1 12 12 GLU N N 12 121.864 121.864 120.700 1.164 25850 4527 1 9 . 1 1 12 12 GLU HA H 12 4.127 4.127 4.177 -0.050 25850 4528 1 9 . 1 1 12 12 GLU C C 12 179.600 179.600 178.827 0.773 25850 4529 1 9 . 1 1 12 12 GLU CA C 12 59.803 59.803 59.275 0.528 25850 4530 1 9 . 1 1 12 12 GLU CB C 12 29.488 29.488 29.253 0.235 25850 4531 1 9 . 1 1 12 12 GLU H H 12 9.184 9.184 8.268 0.916 25850 4532 1 9 . 1 1 13 13 LYS N N 13 120.472 120.472 119.717 0.755 25850 4533 1 9 . 1 1 13 13 LYS HA H 13 4.127 4.127 4.153 -0.026 25850 4534 1 9 . 1 1 13 13 LYS C C 13 179.120 179.120 178.783 0.337 25850 4535 1 9 . 1 1 13 13 LYS CA C 13 59.308 59.308 59.306 0.002 25850 4536 1 9 . 1 1 13 13 LYS CB C 13 32.147 32.147 32.509 -0.362 25850 4537 1 9 . 1 1 13 13 LYS H H 13 7.800 7.800 7.919 -0.119 25850 4538 1 9 . 1 1 14 14 ALA N N 14 122.753 122.753 121.207 1.546 25850 4539 1 9 . 1 1 14 14 ALA HA H 14 4.205 4.205 4.180 0.025 25850 4540 1 9 . 1 1 14 14 ALA C C 14 180.640 180.640 179.540 1.100 25850 4541 1 9 . 1 1 14 14 ALA CA C 14 54.756 54.756 54.779 -0.023 25850 4542 1 9 . 1 1 14 14 ALA CB C 14 17.913 17.913 18.178 -0.265 25850 4543 1 9 . 1 1 14 14 ALA H H 14 8.001 8.001 8.021 -0.020 25850 4544 1 9 . 1 1 15 15 TYR HA H 15 3.850 3.850 4.169 -0.319 25850 4545 1 9 . 1 1 15 15 TYR C C 15 175.898 175.898 177.478 -1.580 25850 4546 1 9 . 1 1 15 15 TYR CA C 15 62.008 62.008 61.127 0.881 25850 4547 1 9 . 1 1 15 15 TYR CB C 15 37.756 37.756 38.361 -0.605 25850 4548 1 9 . 1 1 15 15 TYR H H 15 8.906 8.906 7.945 0.961 25850 4549 1 9 . 1 1 16 16 LYS N N 16 119.082 119.082 118.466 0.616 25850 4550 1 9 . 1 1 16 16 LYS HA H 16 3.985 3.985 3.714 0.271 25850 4551 1 9 . 1 1 16 16 LYS C C 16 179.068 179.068 178.709 0.359 25850 4552 1 9 . 1 1 16 16 LYS CA C 16 58.622 58.622 59.886 -1.264 25850 4553 1 9 . 1 1 16 16 LYS CB C 16 32.131 32.131 32.144 -0.013 25850 4554 1 9 . 1 1 16 16 LYS H H 16 8.059 8.059 8.021 0.038 25850 4555 1 9 . 1 1 17 17 LYS N N 17 119.708 119.708 119.921 -0.213 25850 4556 1 9 . 1 1 17 17 LYS HA H 17 4.142 4.142 4.030 0.112 25850 4557 1 9 . 1 1 17 17 LYS CA C 17 57.951 57.951 59.411 -1.460 25850 4558 1 9 . 1 1 17 17 LYS CB C 17 31.802 31.802 32.434 -0.632 25850 4559 1 9 . 1 1 17 17 LYS H H 17 7.900 7.900 7.785 0.115 25850 4560 1 9 . 1 1 18 18 ALA N N 18 120.860 120.860 121.378 -0.518 25850 4561 1 9 . 1 1 18 18 ALA HA H 18 4.329 4.329 4.020 0.309 25850 4562 1 9 . 1 1 18 18 ALA C C 18 179.572 179.572 179.085 0.487 25850 4563 1 9 . 1 1 18 18 ALA CA C 18 54.110 54.110 55.117 -1.007 25850 4564 1 9 . 1 1 18 18 ALA CB C 18 18.782 18.782 18.059 0.723 25850 4565 1 9 . 1 1 18 18 ALA H H 18 7.854 7.854 7.966 -0.112 25850 4566 1 9 . 1 1 19 19 GLU N N 19 120.904 120.904 118.632 2.272 25850 4567 1 9 . 1 1 19 19 GLU HA H 19 4.240 4.240 3.891 0.349 25850 4568 1 9 . 1 1 19 19 GLU C C 19 180.268 180.268 178.708 1.560 25850 4569 1 9 . 1 1 19 19 GLU CA C 19 59.147 59.147 58.542 0.605 25850 4570 1 9 . 1 1 19 19 GLU CB C 19 29.889 29.889 29.610 0.279 25850 4571 1 9 . 1 1 19 19 GLU H H 19 8.690 8.690 7.888 0.802 25850 4572 1 9 . 1 1 20 20 GLU N N 20 120.868 120.868 120.103 0.765 25850 4573 1 9 . 1 1 20 20 GLU HA H 20 4.024 4.024 4.076 -0.052 25850 4574 1 9 . 1 1 20 20 GLU C C 20 177.975 177.975 178.298 -0.323 25850 4575 1 9 . 1 1 20 20 GLU CA C 20 58.935 58.935 58.743 0.192 25850 4576 1 9 . 1 1 20 20 GLU CB C 20 29.549 29.549 29.592 -0.043 25850 4577 1 9 . 1 1 20 20 GLU H H 20 7.898 7.898 7.782 0.116 25850 4578 1 9 . 1 1 21 21 LEU N N 21 116.701 116.701 118.165 -1.464 25850 4579 1 9 . 1 1 21 21 LEU HA H 21 4.351 4.351 4.220 0.131 25850 4580 1 9 . 1 1 21 21 LEU C C 21 176.199 176.199 176.769 -0.570 25850 4581 1 9 . 1 1 21 21 LEU CA C 21 54.158 54.158 54.992 -0.834 25850 4582 1 9 . 1 1 21 21 LEU CB C 21 41.776 41.776 42.203 -0.427 25850 4583 1 9 . 1 1 21 21 LEU H H 21 7.393 7.393 7.692 -0.299 25850 4584 1 9 . 1 1 22 22 ASN N N 22 118.557 118.557 115.208 3.349 25850 4585 1 9 . 1 1 22 22 ASN HA H 22 4.278 4.278 4.365 -0.087 25850 4586 1 9 . 1 1 22 22 ASN C C 22 174.436 174.436 174.429 0.007 25850 4587 1 9 . 1 1 22 22 ASN CA C 22 54.104 54.104 54.011 0.093 25850 4588 1 9 . 1 1 22 22 ASN CB C 22 37.364 37.364 37.656 -0.292 25850 4589 1 9 . 1 1 22 22 ASN H H 22 7.994 7.994 7.501 0.493 25850 4590 1 9 . 1 1 23 23 GLN N N 23 118.344 118.344 118.790 -0.446 25850 4591 1 9 . 1 1 23 23 GLN HA H 23 4.557 4.557 4.491 0.066 25850 4592 1 9 . 1 1 23 23 GLN C C 23 176.685 176.685 176.123 0.562 25850 4593 1 9 . 1 1 23 23 GLN CA C 23 53.983 53.983 55.389 -1.406 25850 4594 1 9 . 1 1 23 23 GLN CB C 23 27.770 27.770 28.903 -1.133 25850 4595 1 9 . 1 1 23 23 GLN H H 23 8.378 8.378 7.723 0.655 25850 4596 1 9 . 1 1 24 24 GLY N N 24 113.071 113.071 114.357 -1.286 25850 4597 1 9 . 1 1 24 24 GLY C C 24 175.286 175.286 175.268 0.018 25850 4598 1 9 . 1 1 24 24 GLY CA C 24 47.823 47.823 47.008 0.816 25850 4599 1 9 . 1 1 24 24 GLY H H 24 8.468 8.468 9.016 -0.548 25850 4600 1 9 . 1 1 25 25 GLU N N 25 120.717 120.717 121.686 -0.969 25850 4601 1 9 . 1 1 25 25 GLU HA H 25 4.124 4.124 4.032 0.092 25850 4602 1 9 . 1 1 25 25 GLU C C 25 176.495 176.495 178.707 -2.212 25850 4603 1 9 . 1 1 25 25 GLU CA C 25 59.621 59.621 59.159 0.462 25850 4604 1 9 . 1 1 25 25 GLU CB C 25 28.636 28.636 28.978 -0.342 25850 4605 1 9 . 1 1 25 25 GLU H H 25 9.067 9.067 8.093 0.974 25850 4606 1 9 . 1 1 26 26 LEU HA H 26 4.222 4.222 4.175 0.047 25850 4607 1 9 . 1 1 26 26 LEU C C 26 180.590 180.590 179.090 1.500 25850 4608 1 9 . 1 1 26 26 LEU CA C 26 56.882 56.882 57.488 -0.606 25850 4609 1 9 . 1 1 26 26 LEU CB C 26 41.231 41.231 41.895 -0.664 25850 4610 1 9 . 1 1 26 26 LEU H H 26 7.165 7.165 7.757 -0.592 25850 4611 1 9 . 1 1 27 27 MET N N 27 121.053 121.053 118.298 2.755 25850 4612 1 9 . 1 1 27 27 MET HA H 27 3.932 3.932 4.205 -0.273 25850 4613 1 9 . 1 1 27 27 MET CA C 27 59.980 59.980 59.903 0.077 25850 4614 1 9 . 1 1 27 27 MET CB C 27 34.537 34.537 32.450 2.087 25850 4615 1 9 . 1 1 27 27 MET H H 27 8.203 8.203 8.030 0.173 25850 4616 1 9 . 1 1 28 28 GLY N N 28 106.038 106.038 106.268 -0.230 25850 4617 1 9 . 1 1 28 28 GLY C C 28 174.900 174.900 175.541 -0.641 25850 4618 1 9 . 1 1 28 28 GLY CA C 28 47.672 47.672 46.538 1.134 25850 4619 1 9 . 1 1 28 28 GLY H H 28 8.527 8.527 8.476 0.051 25850 4620 1 9 . 1 1 29 29 ARG N N 29 120.201 120.201 121.511 -1.310 25850 4621 1 9 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.271 -0.076 25850 4622 1 9 . 1 1 29 29 ARG C C 29 178.065 178.065 178.530 -0.465 25850 4623 1 9 . 1 1 29 29 ARG CA C 29 59.974 59.974 59.203 0.771 25850 4624 1 9 . 1 1 29 29 ARG CB C 29 30.416 30.416 30.200 0.216 25850 4625 1 9 . 1 1 29 29 ARG H H 29 8.224 8.224 7.506 0.718 25850 4626 1 9 . 1 1 30 30 ALA N N 30 121.394 121.394 123.260 -1.866 25850 4627 1 9 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.111 0.086 25850 4628 1 9 . 1 1 30 30 ALA C C 30 179.433 179.433 179.657 -0.224 25850 4629 1 9 . 1 1 30 30 ALA CA C 30 55.838 55.838 55.195 0.643 25850 4630 1 9 . 1 1 30 30 ALA CB C 30 18.269 18.269 18.343 -0.074 25850 4631 1 9 . 1 1 30 30 ALA H H 30 7.876 7.876 7.989 -0.113 25850 4632 1 9 . 1 1 31 31 LEU N N 31 116.122 116.122 118.237 -2.115 25850 4633 1 9 . 1 1 31 31 LEU HA H 31 4.003 4.003 3.877 0.126 25850 4634 1 9 . 1 1 31 31 LEU C C 31 178.416 178.416 178.972 -0.556 25850 4635 1 9 . 1 1 31 31 LEU CA C 31 57.921 57.921 57.439 0.482 25850 4636 1 9 . 1 1 31 31 LEU CB C 31 42.463 42.463 41.707 0.756 25850 4637 1 9 . 1 1 31 31 LEU H H 31 8.084 8.084 7.867 0.217 25850 4638 1 9 . 1 1 32 32 TYR N N 32 119.225 119.225 120.921 -1.696 25850 4639 1 9 . 1 1 32 32 TYR HA H 32 4.063 4.063 4.376 -0.313 25850 4640 1 9 . 1 1 32 32 TYR C C 32 176.310 176.310 177.508 -1.198 25850 4641 1 9 . 1 1 32 32 TYR CA C 32 61.992 61.992 61.820 0.172 25850 4642 1 9 . 1 1 32 32 TYR CB C 32 38.659 38.659 38.664 -0.005 25850 4643 1 9 . 1 1 32 32 TYR H H 32 8.562 8.562 8.563 -0.001 25850 4644 1 9 . 1 1 33 33 ASN N N 33 116.880 116.880 117.768 -0.888 25850 4645 1 9 . 1 1 33 33 ASN HA H 33 4.068 4.068 4.138 -0.070 25850 4646 1 9 . 1 1 33 33 ASN C C 33 178.353 178.353 177.617 0.736 25850 4647 1 9 . 1 1 33 33 ASN CA C 33 55.858 55.858 55.806 0.052 25850 4648 1 9 . 1 1 33 33 ASN CB C 33 35.968 35.968 37.362 -1.394 25850 4649 1 9 . 1 1 33 33 ASN H H 33 8.213 8.213 8.074 0.139 25850 4650 1 9 . 1 1 34 34 ILE N N 34 121.401 121.401 120.338 1.063 25850 4651 1 9 . 1 1 34 34 ILE HA H 34 3.300 3.300 3.644 -0.344 25850 4652 1 9 . 1 1 34 34 ILE C C 34 177.867 177.867 177.794 0.073 25850 4653 1 9 . 1 1 34 34 ILE CA C 34 66.528 66.528 65.457 1.071 25850 4654 1 9 . 1 1 34 34 ILE CB C 34 37.839 37.839 37.175 0.664 25850 4655 1 9 . 1 1 34 34 ILE H H 34 8.087 8.087 7.975 0.112 25850 4656 1 9 . 1 1 35 35 GLY N N 35 107.275 107.275 107.747 -0.472 25850 4657 1 9 . 1 1 35 35 GLY C C 35 175.048 175.048 175.814 -0.766 25850 4658 1 9 . 1 1 35 35 GLY CA C 35 48.547 48.547 46.741 1.806 25850 4659 1 9 . 1 1 35 35 GLY H H 35 7.922 7.922 7.801 0.121 25850 4660 1 9 . 1 1 36 36 LEU N N 36 120.414 120.414 122.296 -1.882 25850 4661 1 9 . 1 1 36 36 LEU HA H 36 4.048 4.048 4.028 0.020 25850 4662 1 9 . 1 1 36 36 LEU C C 36 180.804 180.804 179.251 1.553 25850 4663 1 9 . 1 1 36 36 LEU CA C 36 58.063 58.063 57.497 0.566 25850 4664 1 9 . 1 1 36 36 LEU CB C 36 41.701 41.701 41.533 0.168 25850 4665 1 9 . 1 1 36 36 LEU H H 36 8.177 8.177 7.769 0.408 25850 4666 1 9 . 1 1 37 37 GLU N N 37 120.083 120.083 118.921 1.162 25850 4667 1 9 . 1 1 37 37 GLU HA H 37 4.075 4.075 4.069 0.006 25850 4668 1 9 . 1 1 37 37 GLU C C 37 179.517 179.517 179.412 0.105 25850 4669 1 9 . 1 1 37 37 GLU CA C 37 58.603 58.603 59.008 -0.405 25850 4670 1 9 . 1 1 37 37 GLU CB C 37 29.799 29.799 28.996 0.803 25850 4671 1 9 . 1 1 37 37 GLU H H 37 7.750 7.750 7.945 -0.195 25850 4672 1 9 . 1 1 38 38 LYS N N 38 118.263 118.263 118.266 -0.003 25850 4673 1 9 . 1 1 38 38 LYS HA H 38 3.862 3.862 4.028 -0.166 25850 4674 1 9 . 1 1 38 38 LYS C C 38 179.253 179.253 178.702 0.551 25850 4675 1 9 . 1 1 38 38 LYS CA C 38 57.937 57.937 58.411 -0.474 25850 4676 1 9 . 1 1 38 38 LYS CB C 38 30.769 30.769 31.949 -1.180 25850 4677 1 9 . 1 1 38 38 LYS H H 38 8.550 8.550 8.045 0.505 25850 4678 1 9 . 1 1 39 39 ASN N N 39 118.329 118.329 117.417 0.912 25850 4679 1 9 . 1 1 39 39 ASN HA H 39 4.193 4.193 4.518 -0.325 25850 4680 1 9 . 1 1 39 39 ASN C C 39 179.428 179.428 178.127 1.301 25850 4681 1 9 . 1 1 39 39 ASN CA C 39 56.177 56.177 55.898 0.279 25850 4682 1 9 . 1 1 39 39 ASN CB C 39 38.478 38.478 38.612 -0.134 25850 4683 1 9 . 1 1 39 39 ASN H H 39 8.294 8.294 8.066 0.228 25850 4684 1 9 . 1 1 40 40 LYS N N 40 121.176 121.176 119.121 2.055 25850 4685 1 9 . 1 1 40 40 LYS HA H 40 4.047 4.047 4.238 -0.191 25850 4686 1 9 . 1 1 40 40 LYS C C 40 178.229 178.229 178.073 0.156 25850 4687 1 9 . 1 1 40 40 LYS CA C 40 59.471 59.471 58.660 0.811 25850 4688 1 9 . 1 1 40 40 LYS CB C 40 32.427 32.427 32.025 0.402 25850 4689 1 9 . 1 1 40 40 LYS H H 40 7.912 7.912 7.909 0.003 25850 4690 1 9 . 1 1 41 41 MET N N 41 114.548 114.548 117.403 -2.855 25850 4691 1 9 . 1 1 41 41 MET HA H 41 4.512 4.512 4.426 0.086 25850 4692 1 9 . 1 1 41 41 MET C C 41 175.915 175.915 176.978 -1.063 25850 4693 1 9 . 1 1 41 41 MET CA C 41 55.529 55.529 56.054 -0.525 25850 4694 1 9 . 1 1 41 41 MET CB C 41 34.022 34.022 33.074 0.948 25850 4695 1 9 . 1 1 41 41 MET H H 41 7.389 7.389 7.696 -0.307 25850 4696 1 9 . 1 1 42 42 GLY N N 42 107.409 107.409 107.061 0.348 25850 4697 1 9 . 1 1 42 42 GLY C C 42 175.041 175.041 174.947 0.094 25850 4698 1 9 . 1 1 42 42 GLY CA C 42 45.335 45.335 45.338 -0.003 25850 4699 1 9 . 1 1 42 42 GLY H H 42 7.929 7.929 7.595 0.334 25850 4700 1 9 . 1 1 43 43 LYS N N 43 124.326 124.326 122.809 1.517 25850 4701 1 9 . 1 1 43 43 LYS HA H 43 4.684 4.684 4.461 0.223 25850 4702 1 9 . 1 1 43 43 LYS C C 43 176.514 176.514 176.357 0.157 25850 4703 1 9 . 1 1 43 43 LYS CA C 43 53.791 53.791 54.597 -0.806 25850 4704 1 9 . 1 1 43 43 LYS CB C 43 30.065 30.065 31.009 -0.944 25850 4705 1 9 . 1 1 43 43 LYS H H 43 8.040 8.040 7.919 0.121 25850 4706 1 9 . 1 1 44 44 VAL N N 44 121.020 121.020 120.584 0.436 25850 4707 1 9 . 1 1 44 44 VAL HA H 44 3.580 3.580 3.688 -0.108 25850 4708 1 9 . 1 1 44 44 VAL C C 44 177.096 177.096 177.282 -0.186 25850 4709 1 9 . 1 1 44 44 VAL CA C 44 66.166 66.166 65.927 0.239 25850 4710 1 9 . 1 1 44 44 VAL CB C 44 31.869 31.869 31.882 -0.013 25850 4711 1 9 . 1 1 44 44 VAL H H 44 7.439 7.439 7.675 -0.236 25850 4712 1 9 . 1 1 45 45 LYS N N 45 119.164 119.164 119.434 -0.270 25850 4713 1 9 . 1 1 45 45 LYS HA H 45 3.950 3.950 3.999 -0.049 25850 4714 1 9 . 1 1 45 45 LYS C C 45 179.726 179.726 178.759 0.967 25850 4715 1 9 . 1 1 45 45 LYS CA C 45 60.153 60.153 59.606 0.547 25850 4716 1 9 . 1 1 45 45 LYS CB C 45 31.446 31.446 31.641 -0.195 25850 4717 1 9 . 1 1 45 45 LYS H H 45 8.427 8.427 8.541 -0.114 25850 4718 1 9 . 1 1 46 46 GLU N N 46 118.446 118.446 119.792 -1.346 25850 4719 1 9 . 1 1 46 46 GLU HA H 46 4.092 4.092 4.324 -0.232 25850 4720 1 9 . 1 1 46 46 GLU C C 46 178.490 178.490 178.631 -0.141 25850 4721 1 9 . 1 1 46 46 GLU CA C 46 59.327 59.327 58.795 0.532 25850 4722 1 9 . 1 1 46 46 GLU CB C 46 29.764 29.764 29.787 -0.023 25850 4723 1 9 . 1 1 46 46 GLU H H 46 7.867 7.867 7.538 0.329 25850 4724 1 9 . 1 1 47 47 ALA N N 47 122.279 122.279 123.007 -0.728 25850 4725 1 9 . 1 1 47 47 ALA HA H 47 3.513 3.513 3.781 -0.268 25850 4726 1 9 . 1 1 47 47 ALA C C 47 178.065 178.065 179.064 -0.999 25850 4727 1 9 . 1 1 47 47 ALA CA C 47 55.905 55.905 55.044 0.861 25850 4728 1 9 . 1 1 47 47 ALA CB C 47 18.256 18.256 18.186 0.070 25850 4729 1 9 . 1 1 47 47 ALA H H 47 8.315 8.315 7.588 0.727 25850 4730 1 9 . 1 1 48 48 ILE N N 48 115.863 115.863 117.931 -2.068 25850 4731 1 9 . 1 1 48 48 ILE HA H 48 3.401 3.401 3.477 -0.076 25850 4732 1 9 . 1 1 48 48 ILE C C 48 176.808 176.808 177.856 -1.048 25850 4733 1 9 . 1 1 48 48 ILE CA C 48 66.282 66.282 65.775 0.507 25850 4734 1 9 . 1 1 48 48 ILE CB C 48 38.375 38.375 37.586 0.789 25850 4735 1 9 . 1 1 48 48 ILE H H 48 8.077 8.077 7.739 0.338 25850 4736 1 9 . 1 1 49 49 GLU N N 49 116.853 116.853 118.739 -1.886 25850 4737 1 9 . 1 1 49 49 GLU HA H 49 3.920 3.920 3.848 0.072 25850 4738 1 9 . 1 1 49 49 GLU C C 49 179.914 179.914 179.057 0.857 25850 4739 1 9 . 1 1 49 49 GLU CA C 49 59.535 59.535 59.665 -0.130 25850 4740 1 9 . 1 1 49 49 GLU CB C 49 28.995 28.995 29.016 -0.021 25850 4741 1 9 . 1 1 49 49 GLU H H 49 7.175 7.175 7.852 -0.677 25850 4742 1 9 . 1 1 50 50 TYR N N 50 117.578 117.578 118.948 -1.370 25850 4743 1 9 . 1 1 50 50 TYR HA H 50 3.774 3.774 4.149 -0.375 25850 4744 1 9 . 1 1 50 50 TYR C C 50 178.462 178.462 178.207 0.255 25850 4745 1 9 . 1 1 50 50 TYR CA C 50 64.368 64.368 61.107 3.261 25850 4746 1 9 . 1 1 50 50 TYR CB C 50 37.345 37.345 38.053 -0.708 25850 4747 1 9 . 1 1 50 50 TYR H H 50 7.676 7.676 7.527 0.149 25850 4748 1 9 . 1 1 51 51 PHE N N 51 119.480 119.480 117.996 1.484 25850 4749 1 9 . 1 1 51 51 PHE HA H 51 4.711 4.711 4.471 0.240 25850 4750 1 9 . 1 1 51 51 PHE C C 51 178.720 178.720 178.114 0.606 25850 4751 1 9 . 1 1 51 51 PHE CA C 51 58.958 58.958 60.089 -1.131 25850 4752 1 9 . 1 1 51 51 PHE CB C 51 37.771 37.771 38.084 -0.313 25850 4753 1 9 . 1 1 51 51 PHE H H 51 9.013 9.013 8.161 0.852 25850 4754 1 9 . 1 1 52 52 LEU N N 52 120.365 120.365 120.805 -0.440 25850 4755 1 9 . 1 1 52 52 LEU HA H 52 4.093 4.093 3.988 0.105 25850 4756 1 9 . 1 1 52 52 LEU C C 52 180.229 180.229 179.013 1.216 25850 4757 1 9 . 1 1 52 52 LEU CA C 52 58.252 58.252 58.596 -0.344 25850 4758 1 9 . 1 1 52 52 LEU CB C 52 42.160 42.160 41.437 0.723 25850 4759 1 9 . 1 1 52 52 LEU H H 52 8.906 8.906 8.431 0.475 25850 4760 1 9 . 1 1 53 53 ARG N N 53 119.294 119.294 118.814 0.480 25850 4761 1 9 . 1 1 53 53 ARG HA H 53 3.929 3.929 3.962 -0.033 25850 4762 1 9 . 1 1 53 53 ARG C C 53 179.087 179.087 178.547 0.540 25850 4763 1 9 . 1 1 53 53 ARG CA C 53 59.580 59.580 59.626 -0.046 25850 4764 1 9 . 1 1 53 53 ARG CB C 53 31.418 31.418 29.933 1.485 25850 4765 1 9 . 1 1 53 53 ARG H H 53 7.846 7.846 7.989 -0.143 25850 4766 1 9 . 1 1 54 54 ALA N N 54 121.351 121.351 121.830 -0.479 25850 4767 1 9 . 1 1 54 54 ALA HA H 54 3.693 3.693 3.871 -0.178 25850 4768 1 9 . 1 1 54 54 ALA C C 54 177.631 177.631 179.033 -1.402 25850 4769 1 9 . 1 1 54 54 ALA CA C 54 55.115 55.115 55.386 -0.271 25850 4770 1 9 . 1 1 54 54 ALA CB C 54 17.612 17.612 18.468 -0.856 25850 4771 1 9 . 1 1 54 54 ALA H H 54 8.892 8.892 8.268 0.624 25850 4772 1 9 . 1 1 55 55 LYS N N 55 117.135 117.135 118.851 -1.716 25850 4773 1 9 . 1 1 55 55 LYS HA H 55 3.835 3.835 4.348 -0.513 25850 4774 1 9 . 1 1 55 55 LYS C C 55 176.970 176.970 178.604 -1.634 25850 4775 1 9 . 1 1 55 55 LYS CA C 55 60.725 60.725 59.617 1.108 25850 4776 1 9 . 1 1 55 55 LYS CB C 55 32.602 32.602 32.447 0.155 25850 4777 1 9 . 1 1 55 55 LYS H H 55 8.626 8.626 8.103 0.523 25850 4778 1 9 . 1 1 56 56 LYS N N 56 116.695 116.695 119.771 -3.076 25850 4779 1 9 . 1 1 56 56 LYS HA H 56 4.171 4.171 4.226 -0.055 25850 4780 1 9 . 1 1 56 56 LYS C C 56 180.037 180.037 179.210 0.827 25850 4781 1 9 . 1 1 56 56 LYS CA C 56 59.606 59.606 59.461 0.145 25850 4782 1 9 . 1 1 56 56 LYS CB C 56 32.349 32.349 32.269 0.080 25850 4783 1 9 . 1 1 56 56 LYS H H 56 7.652 7.652 7.766 -0.114 25850 4784 1 9 . 1 1 57 57 VAL N N 57 120.809 120.809 118.577 2.232 25850 4785 1 9 . 1 1 57 57 VAL HA H 57 3.753 3.753 3.712 0.041 25850 4786 1 9 . 1 1 57 57 VAL C C 57 178.174 178.174 178.030 0.144 25850 4787 1 9 . 1 1 57 57 VAL CA C 57 66.226 66.226 66.156 0.070 25850 4788 1 9 . 1 1 57 57 VAL CB C 57 31.424 31.424 31.454 -0.030 25850 4789 1 9 . 1 1 57 57 VAL H H 57 7.583 7.583 7.557 0.026 25850 4790 1 9 . 1 1 58 58 PHE N N 58 118.864 118.864 119.738 -0.874 25850 4791 1 9 . 1 1 58 58 PHE HA H 58 4.521 4.521 4.131 0.390 25850 4792 1 9 . 1 1 58 58 PHE C C 58 179.187 179.187 177.539 1.648 25850 4793 1 9 . 1 1 58 58 PHE CA C 58 59.849 59.849 61.764 -1.915 25850 4794 1 9 . 1 1 58 58 PHE CB C 58 37.753 37.753 37.972 -0.219 25850 4795 1 9 . 1 1 58 58 PHE H H 58 8.871 8.871 8.044 0.827 25850 4796 1 9 . 1 1 59 59 ASP N N 59 119.714 119.714 119.272 0.442 25850 4797 1 9 . 1 1 59 59 ASP HA H 59 4.444 4.444 4.461 -0.017 25850 4798 1 9 . 1 1 59 59 ASP C C 59 180.066 180.066 178.361 1.705 25850 4799 1 9 . 1 1 59 59 ASP CA C 59 57.201 57.201 57.107 0.094 25850 4800 1 9 . 1 1 59 59 ASP CB C 59 39.713 39.713 40.214 -0.500 25850 4801 1 9 . 1 1 59 59 ASP H H 59 9.157 9.157 8.427 0.730 25850 4802 1 9 . 1 1 60 60 ALA N N 60 124.290 124.290 121.427 2.863 25850 4803 1 9 . 1 1 60 60 ALA HA H 60 4.087 4.087 3.960 0.127 25850 4804 1 9 . 1 1 60 60 ALA C C 60 179.389 179.389 178.388 1.001 25850 4805 1 9 . 1 1 60 60 ALA CA C 60 54.760 54.760 53.993 0.767 25850 4806 1 9 . 1 1 60 60 ALA CB C 60 18.025 18.025 18.621 -0.596 25850 4807 1 9 . 1 1 60 60 ALA H H 60 7.742 7.742 7.378 0.364 25850 4808 1 9 . 1 1 61 61 GLU N N 61 114.493 114.493 115.920 -1.427 25850 4809 1 9 . 1 1 61 61 GLU HA H 61 4.259 4.259 4.166 0.093 25850 4810 1 9 . 1 1 61 61 GLU C C 61 175.970 175.970 176.588 -0.618 25850 4811 1 9 . 1 1 61 61 GLU CA C 61 55.049 55.049 56.279 -1.230 25850 4812 1 9 . 1 1 61 61 GLU CB C 61 29.724 29.724 29.957 -0.233 25850 4813 1 9 . 1 1 61 61 GLU H H 61 7.908 7.908 7.649 0.259 25850 4814 1 9 . 1 1 62 62 HIS N N 62 115.130 115.130 113.292 1.838 25850 4815 1 9 . 1 1 62 62 HIS HA H 62 4.264 4.264 4.277 -0.013 25850 4816 1 9 . 1 1 62 62 HIS C C 62 173.916 173.916 174.070 -0.154 25850 4817 1 9 . 1 1 62 62 HIS CA C 62 56.531 56.531 56.938 -0.407 25850 4818 1 9 . 1 1 62 62 HIS CB C 62 26.039 26.039 27.223 -1.184 25850 4819 1 9 . 1 1 62 62 HIS H H 62 7.830 7.830 7.339 0.491 25850 4820 1 9 . 1 1 63 63 ASP N N 63 118.507 118.507 119.878 -1.371 25850 4821 1 9 . 1 1 63 63 ASP HA H 63 4.854 4.854 4.808 0.046 25850 4822 1 9 . 1 1 63 63 ASP C C 63 176.143 176.143 176.499 -0.356 25850 4823 1 9 . 1 1 63 63 ASP CA C 63 52.127 52.127 53.057 -0.930 25850 4824 1 9 . 1 1 63 63 ASP CB C 63 40.068 40.068 40.786 -0.718 25850 4825 1 9 . 1 1 63 63 ASP H H 63 8.521 8.521 8.127 0.394 25850 4826 1 9 . 1 1 64 64 THR N N 64 119.037 119.037 120.952 -1.915 25850 4827 1 9 . 1 1 64 64 THR HA H 64 3.869 3.869 3.926 -0.057 25850 4828 1 9 . 1 1 64 64 THR C C 64 176.814 176.814 175.572 1.242 25850 4829 1 9 . 1 1 64 64 THR CA C 64 65.198 65.198 65.638 -0.439 25850 4830 1 9 . 1 1 64 64 THR CB C 64 68.315 68.315 68.855 -0.540 25850 4831 1 9 . 1 1 64 64 THR H H 64 7.907 7.907 8.034 -0.127 25850 4832 1 9 . 1 1 65 65 ASP N N 65 122.892 122.892 120.721 2.171 25850 4833 1 9 . 1 1 65 65 ASP HA H 65 4.287 4.287 4.299 -0.012 25850 4834 1 9 . 1 1 65 65 ASP C C 65 178.326 178.326 178.035 0.291 25850 4835 1 9 . 1 1 65 65 ASP CA C 65 57.350 57.350 57.371 -0.021 25850 4836 1 9 . 1 1 65 65 ASP CB C 65 41.121 41.121 40.513 0.608 25850 4837 1 9 . 1 1 65 65 ASP H H 65 8.375 8.375 8.405 -0.030 25850 4838 1 9 . 1 1 66 66 GLY N N 66 109.334 109.334 106.839 2.495 25850 4839 1 9 . 1 1 66 66 GLY C C 66 175.861 175.861 175.083 0.778 25850 4840 1 9 . 1 1 66 66 GLY CA C 66 46.136 46.136 45.612 0.524 25850 4841 1 9 . 1 1 66 66 GLY H H 66 8.234 8.234 7.845 0.389 25850 4842 1 9 . 1 1 67 67 ALA N N 67 122.888 122.888 124.577 -1.689 25850 4843 1 9 . 1 1 67 67 ALA HA H 67 3.892 3.892 3.981 -0.089 25850 4844 1 9 . 1 1 67 67 ALA C C 67 179.384 179.384 179.385 -0.001 25850 4845 1 9 . 1 1 67 67 ALA CA C 67 55.960 55.960 54.634 1.326 25850 4846 1 9 . 1 1 67 67 ALA CB C 67 18.611 18.611 18.493 0.118 25850 4847 1 9 . 1 1 67 67 ALA H H 67 7.949 7.949 7.698 0.251 25850 4848 1 9 . 1 1 68 68 ARG N N 68 118.221 118.221 117.604 0.617 25850 4849 1 9 . 1 1 68 68 ARG HA H 68 3.993 3.993 4.038 -0.045 25850 4850 1 9 . 1 1 68 68 ARG C C 68 179.355 179.355 178.957 0.398 25850 4851 1 9 . 1 1 68 68 ARG CA C 68 59.234 59.234 59.157 0.077 25850 4852 1 9 . 1 1 68 68 ARG CB C 68 29.799 29.799 30.064 -0.265 25850 4853 1 9 . 1 1 68 68 ARG H H 68 7.917 7.917 7.845 0.072 25850 4854 1 9 . 1 1 69 69 ARG N N 69 120.551 120.551 119.344 1.207 25850 4855 1 9 . 1 1 69 69 ARG HA H 69 3.923 3.923 3.994 -0.071 25850 4856 1 9 . 1 1 69 69 ARG C C 69 179.120 179.120 178.142 0.978 25850 4857 1 9 . 1 1 69 69 ARG CA C 69 59.310 59.310 57.994 1.316 25850 4858 1 9 . 1 1 69 69 ARG CB C 69 29.189 29.189 29.000 0.189 25850 4859 1 9 . 1 1 69 69 ARG H H 69 7.749 7.749 7.676 0.073 25850 4860 1 9 . 1 1 70 70 ALA N N 70 121.098 121.098 121.059 0.039 25850 4861 1 9 . 1 1 70 70 ALA HA H 70 4.016 4.016 4.206 -0.190 25850 4862 1 9 . 1 1 70 70 ALA C C 70 178.438 178.438 179.516 -1.078 25850 4863 1 9 . 1 1 70 70 ALA CA C 70 55.536 55.536 54.852 0.684 25850 4864 1 9 . 1 1 70 70 ALA CB C 70 17.216 17.216 18.305 -1.089 25850 4865 1 9 . 1 1 70 70 ALA H H 70 8.245 8.245 8.016 0.229 25850 4866 1 9 . 1 1 71 71 ALA N N 71 119.333 119.333 120.529 -1.196 25850 4867 1 9 . 1 1 71 71 ALA HA H 71 4.047 4.047 4.137 -0.090 25850 4868 1 9 . 1 1 71 71 ALA C C 71 180.219 180.219 179.374 0.845 25850 4869 1 9 . 1 1 71 71 ALA CA C 71 55.083 55.083 54.791 0.292 25850 4870 1 9 . 1 1 71 71 ALA CB C 71 18.198 18.198 18.306 -0.108 25850 4871 1 9 . 1 1 71 71 ALA H H 71 8.565 8.565 7.852 0.713 25850 4872 1 9 . 1 1 72 72 LYS N N 72 121.188 121.188 119.324 1.864 25850 4873 1 9 . 1 1 72 72 LYS HA H 72 4.107 4.107 3.967 0.140 25850 4874 1 9 . 1 1 72 72 LYS C C 72 179.155 179.155 178.407 0.748 25850 4875 1 9 . 1 1 72 72 LYS CA C 72 59.271 59.271 59.582 -0.311 25850 4876 1 9 . 1 1 72 72 LYS CB C 72 31.786 31.786 32.328 -0.542 25850 4877 1 9 . 1 1 72 72 LYS H H 72 8.108 8.108 8.130 -0.022 25850 4878 1 9 . 1 1 73 73 SER N N 73 116.976 116.976 115.107 1.869 25850 4879 1 9 . 1 1 73 73 SER HA H 73 3.957 3.957 4.140 -0.183 25850 4880 1 9 . 1 1 73 73 SER C C 73 176.394 176.394 176.649 -0.255 25850 4881 1 9 . 1 1 73 73 SER CA C 73 62.753 62.753 60.796 1.957 25850 4882 1 9 . 1 1 73 73 SER CB C 73 60.718 60.718 62.485 -1.767 25850 4883 1 9 . 1 1 73 73 SER H H 73 8.057 8.057 7.650 0.407 25850 4884 1 9 . 1 1 74 74 LEU N N 74 123.741 123.741 122.259 1.482 25850 4885 1 9 . 1 1 74 74 LEU HA H 74 3.831 3.831 3.935 -0.104 25850 4886 1 9 . 1 1 74 74 LEU C C 74 176.704 176.704 178.209 -1.505 25850 4887 1 9 . 1 1 74 74 LEU CA C 74 58.545 58.545 58.045 0.500 25850 4888 1 9 . 1 1 74 74 LEU CB C 74 41.862 41.862 41.831 0.031 25850 4889 1 9 . 1 1 74 74 LEU H H 74 8.341 8.341 8.055 0.286 25850 4890 1 9 . 1 1 75 75 SER N N 75 113.508 113.508 114.605 -1.097 25850 4891 1 9 . 1 1 75 75 SER HA H 75 4.277 4.277 4.184 0.093 25850 4892 1 9 . 1 1 75 75 SER C C 75 177.668 177.668 176.695 0.973 25850 4893 1 9 . 1 1 75 75 SER CA C 75 61.926 61.926 61.716 0.210 25850 4894 1 9 . 1 1 75 75 SER CB C 75 62.702 62.702 62.994 -0.292 25850 4895 1 9 . 1 1 75 75 SER H H 75 8.055 8.055 7.971 0.084 25850 4896 1 9 . 1 1 76 76 GLU N N 76 119.999 119.999 120.075 -0.076 25850 4897 1 9 . 1 1 76 76 GLU HA H 76 4.041 4.041 4.164 -0.123 25850 4898 1 9 . 1 1 76 76 GLU C C 76 178.836 178.836 178.716 0.120 25850 4899 1 9 . 1 1 76 76 GLU CA C 76 58.928 58.928 58.498 0.430 25850 4900 1 9 . 1 1 76 76 GLU CB C 76 29.684 29.684 29.348 0.336 25850 4901 1 9 . 1 1 76 76 GLU H H 76 7.874 7.874 7.641 0.233 25850 4902 1 9 . 1 1 77 77 ALA N N 77 123.551 123.551 123.031 0.520 25850 4903 1 9 . 1 1 77 77 ALA HA H 77 4.242 4.242 4.101 0.141 25850 4904 1 9 . 1 1 77 77 ALA C C 77 180.005 180.005 179.729 0.276 25850 4905 1 9 . 1 1 77 77 ALA CA C 77 55.031 55.031 54.877 0.154 25850 4906 1 9 . 1 1 77 77 ALA CB C 77 18.237 18.237 18.323 -0.086 25850 4907 1 9 . 1 1 77 77 ALA H H 77 8.043 8.043 7.705 0.338 25850 4908 1 9 . 1 1 78 78 TYR N N 78 116.371 116.371 117.770 -1.399 25850 4909 1 9 . 1 1 78 78 TYR HA H 78 4.418 4.418 4.150 0.268 25850 4910 1 9 . 1 1 78 78 TYR C C 78 178.901 178.901 178.373 0.528 25850 4911 1 9 . 1 1 78 78 TYR CA C 78 60.302 60.302 61.498 -1.196 25850 4912 1 9 . 1 1 78 78 TYR CB C 78 37.416 37.416 37.907 -0.491 25850 4913 1 9 . 1 1 78 78 TYR H H 78 8.699 8.699 8.358 0.341 25850 4914 1 9 . 1 1 79 79 GLN N N 79 116.649 116.649 116.871 -0.222 25850 4915 1 9 . 1 1 79 79 GLN HA H 79 4.212 4.212 4.008 0.204 25850 4916 1 9 . 1 1 79 79 GLN C C 79 177.778 177.778 177.919 -0.141 25850 4917 1 9 . 1 1 79 79 GLN CA C 79 57.922 57.922 58.994 -1.072 25850 4918 1 9 . 1 1 79 79 GLN CB C 79 28.659 28.659 28.430 0.229 25850 4919 1 9 . 1 1 79 79 GLN H H 79 7.667 7.667 7.995 -0.328 25850 4920 1 9 . 1 1 80 80 LYS N N 80 118.855 118.855 118.474 0.381 25850 4921 1 9 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.158 0.135 25850 4922 1 9 . 1 1 80 80 LYS C C 80 178.038 178.038 178.328 -0.290 25850 4923 1 9 . 1 1 80 80 LYS CA C 80 57.474 57.474 59.123 -1.649 25850 4924 1 9 . 1 1 80 80 LYS CB C 80 32.816 32.816 32.787 0.029 25850 4925 1 9 . 1 1 80 80 LYS H H 80 7.766 7.766 7.505 0.261 25850 4926 1 9 . 1 1 81 81 VAL N N 81 117.863 117.863 116.398 1.465 25850 4927 1 9 . 1 1 81 81 VAL HA H 81 4.076 4.076 3.955 0.121 25850 4928 1 9 . 1 1 81 81 VAL C C 81 176.805 176.805 176.565 0.240 25850 4929 1 9 . 1 1 81 81 VAL CA C 81 63.409 63.409 63.615 -0.207 25850 4930 1 9 . 1 1 81 81 VAL CB C 81 32.423 32.423 31.878 0.545 25850 4931 1 9 . 1 1 81 81 VAL H H 81 7.821 7.821 7.270 0.551 25850 4932 1 9 . 1 1 82 82 GLU N N 82 122.552 122.552 119.927 2.625 25850 4933 1 9 . 1 1 82 82 GLU HA H 82 4.277 4.277 4.502 -0.225 25850 4934 1 9 . 1 1 82 82 GLU C C 82 177.559 177.559 176.411 1.148 25850 4935 1 9 . 1 1 82 82 GLU CA C 82 57.300 57.300 55.218 2.082 25850 4936 1 9 . 1 1 82 82 GLU CB C 82 29.927 29.927 31.571 -1.644 25850 4937 1 9 . 1 1 82 82 GLU H H 82 8.329 8.329 8.068 0.261 25850 4938 1 9 . 1 1 83 83 GLY N N 83 109.040 109.040 107.221 1.819 25850 4939 1 9 . 1 1 83 83 GLY C C 83 174.590 174.590 174.884 -0.294 25850 4940 1 9 . 1 1 83 83 GLY CA C 83 45.530 45.530 44.848 0.682 25850 4941 1 9 . 1 1 83 83 GLY H H 83 8.309 8.309 8.504 -0.195 25850 4942 1 9 . 1 1 84 84 SER N N 84 115.258 115.258 113.277 1.981 25850 4943 1 9 . 1 1 84 84 SER HA H 84 4.495 4.495 4.165 0.330 25850 4944 1 9 . 1 1 84 84 SER C C 84 175.217 175.217 174.252 0.965 25850 4945 1 9 . 1 1 84 84 SER CA C 84 58.580 58.580 59.599 -1.019 25850 4946 1 9 . 1 1 84 84 SER CB C 84 63.827 63.827 61.971 1.857 25850 4947 1 9 . 1 1 84 84 SER H H 84 8.180 8.180 8.877 -0.697 25850 4948 1 9 . 1 1 85 85 GLY N N 85 110.681 110.681 108.977 1.704 25850 4949 1 9 . 1 1 85 85 GLY C C 85 174.063 174.063 173.971 0.092 25850 4950 1 9 . 1 1 85 85 GLY CA C 85 45.395 45.395 45.617 -0.222 25850 4951 1 9 . 1 1 85 85 GLY H H 85 8.472 8.472 8.156 0.316 25850 4952 1 9 . 1 1 86 86 ASP N N 86 120.537 120.537 119.753 0.784 25850 4953 1 9 . 1 1 86 86 ASP HA H 86 4.597 4.597 4.780 -0.183 25850 4954 1 9 . 1 1 86 86 ASP C C 86 176.761 176.761 177.409 -0.648 25850 4955 1 9 . 1 1 86 86 ASP CA C 86 54.451 54.451 54.712 -0.261 25850 4956 1 9 . 1 1 86 86 ASP CB C 86 41.069 41.069 42.331 -1.262 25850 4957 1 9 . 1 1 86 86 ASP H H 86 8.272 8.272 8.107 0.165 25850 4958 1 9 . 1 1 87 87 LYS N N 87 121.608 121.608 118.516 3.092 25850 4959 1 9 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.592 -0.346 25850 4960 1 9 . 1 1 87 87 LYS C C 87 177.342 177.342 176.492 0.850 25850 4961 1 9 . 1 1 87 87 LYS CA C 87 56.545 56.545 56.482 0.063 25850 4962 1 9 . 1 1 87 87 LYS CB C 87 32.302 32.302 34.968 -2.666 25850 4963 1 9 . 1 1 87 87 LYS H H 87 8.344 8.344 8.173 0.171 25850 4964 1 9 . 1 1 88 88 GLY N N 88 108.711 108.711 110.196 -1.485 25850 4965 1 9 . 1 1 88 88 GLY C C 88 174.216 174.216 174.269 -0.053 25850 4966 1 9 . 1 1 88 88 GLY CA C 88 45.339 45.339 45.087 0.252 25850 4967 1 9 . 1 1 88 88 GLY H H 88 8.449 8.449 8.413 0.036 25850 4968 1 9 . 1 1 89 89 LYS N N 89 120.508 120.508 125.239 -4.731 25850 4969 1 9 . 1 1 89 89 LYS HA H 89 4.266 4.266 4.289 -0.023 25850 4970 1 9 . 1 1 89 89 LYS C C 89 176.464 176.464 176.546 -0.082 25850 4971 1 9 . 1 1 89 89 LYS CA C 89 56.214 56.214 56.085 0.129 25850 4972 1 9 . 1 1 89 89 LYS CB C 89 32.824 32.824 32.335 0.489 25850 4973 1 9 . 1 1 89 89 LYS H H 89 7.958 7.958 8.386 -0.428 25850 4974 1 9 . 1 1 90 90 ILE N N 90 121.127 121.127 125.927 -4.800 25850 4975 1 9 . 1 1 90 90 ILE HA H 90 4.091 4.091 4.016 0.075 25850 4976 1 9 . 1 1 90 90 ILE C C 90 175.896 175.896 174.551 1.345 25850 4977 1 9 . 1 1 90 90 ILE CA C 90 61.022 61.022 61.121 -0.099 25850 4978 1 9 . 1 1 90 90 ILE CB C 90 38.488 38.488 36.011 2.477 25850 4979 1 9 . 1 1 90 90 ILE H H 90 8.005 8.005 8.077 -0.072 25850 4980 1 9 . 1 1 91 91 PHE N N 91 123.843 123.843 125.119 -1.276 25850 4981 1 9 . 1 1 91 91 PHE HA H 91 4.615 4.615 4.794 -0.179 25850 4982 1 9 . 1 1 91 91 PHE C C 91 175.327 175.327 175.825 -0.498 25850 4983 1 9 . 1 1 91 91 PHE CA C 91 57.565 57.565 56.632 0.933 25850 4984 1 9 . 1 1 91 91 PHE CB C 91 39.457 39.457 40.525 -1.068 25850 4985 1 9 . 1 1 91 91 PHE H H 91 8.283 8.283 7.825 0.458 25850 4986 1 9 . 1 1 92 92 GLN N N 92 122.349 122.349 123.405 -1.056 25850 4987 1 9 . 1 1 92 92 GLN HA H 92 4.296 4.296 4.222 0.074 25850 4988 1 9 . 1 1 92 92 GLN C C 92 175.338 175.338 175.871 -0.533 25850 4989 1 9 . 1 1 92 92 GLN CA C 92 55.492 55.492 55.823 -0.331 25850 4990 1 9 . 1 1 92 92 GLN CB C 92 29.708 29.708 29.144 0.564 25850 4991 1 9 . 1 1 92 92 GLN H H 92 8.212 8.212 8.505 -0.293 25850 4992 1 9 . 1 1 93 93 LYS N N 93 123.137 123.137 124.309 -1.172 25850 4993 1 9 . 1 1 93 93 LYS HA H 93 4.250 4.250 4.288 -0.038 25850 4994 1 9 . 1 1 93 93 LYS C C 93 176.492 176.492 176.571 -0.079 25850 4995 1 9 . 1 1 93 93 LYS CA C 93 56.272 56.272 56.650 -0.378 25850 4996 1 9 . 1 1 93 93 LYS CB C 93 33.055 33.055 32.130 0.925 25850 4997 1 9 . 1 1 93 93 LYS H H 93 8.364 8.364 8.433 -0.069 25850 4998 1 9 . 1 1 94 94 GLU N N 94 122.671 122.671 124.083 -1.412 25850 4999 1 9 . 1 1 94 94 GLU HA H 94 4.246 4.246 4.607 -0.361 25850 5000 1 9 . 1 1 94 94 GLU C C 94 177.008 177.008 176.310 0.698 25850 5001 1 9 . 1 1 94 94 GLU CA C 94 56.848 56.848 55.209 1.639 25850 5002 1 9 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.851 -0.797 25850 5003 1 9 . 1 1 94 94 GLU H H 94 8.571 8.571 8.578 -0.007 25850 5004 1 9 . 1 1 95 95 GLY N N 95 110.337 110.337 108.596 1.741 25850 5005 1 9 . 1 1 95 95 GLY C C 95 174.070 174.070 173.662 0.408 25850 5006 1 9 . 1 1 95 95 GLY CA C 95 45.191 45.191 44.359 0.832 25850 5007 1 9 . 1 1 95 95 GLY H H 95 8.490 8.490 8.246 0.244 25850 5008 1 9 . 1 1 96 96 GLU N N 96 120.183 120.183 120.128 0.055 25850 5009 1 9 . 1 1 96 96 GLU HA H 96 4.339 4.339 4.480 -0.141 25850 5010 1 9 . 1 1 96 96 GLU C C 96 176.463 176.463 176.448 0.015 25850 5011 1 9 . 1 1 96 96 GLU CA C 96 56.204 56.204 56.095 0.109 25850 5012 1 9 . 1 1 96 96 GLU CB C 96 30.433 30.433 31.054 -0.621 25850 5013 1 9 . 1 1 96 96 GLU H H 96 8.142 8.142 8.362 -0.220 25850 5014 1 9 . 1 1 97 97 SER N N 97 116.979 116.979 119.688 -2.709 25850 5015 1 9 . 1 1 97 97 SER HA H 97 4.472 4.472 4.445 0.027 25850 5016 1 9 . 1 1 97 97 SER C C 97 174.162 174.162 174.422 -0.260 25850 5017 1 9 . 1 1 97 97 SER CA C 97 58.070 58.070 58.484 -0.414 25850 5018 1 9 . 1 1 97 97 SER CB C 97 63.710 63.710 63.369 0.341 25850 5019 1 9 . 1 1 97 97 SER H H 97 8.381 8.381 8.447 -0.066 25850 5020 1 9 . 1 1 98 98 ILE N N 98 122.626 122.626 123.658 -1.032 25850 5021 1 9 . 1 1 98 98 ILE HA H 98 4.201 4.201 4.450 -0.249 25850 5022 1 9 . 1 1 98 98 ILE C C 98 175.921 175.921 175.086 0.835 25850 5023 1 9 . 1 1 98 98 ILE CA C 98 60.947 60.947 60.735 0.212 25850 5024 1 9 . 1 1 98 98 ILE CB C 98 38.616 38.616 39.302 -0.686 25850 5025 1 9 . 1 1 98 98 ILE H H 98 8.216 8.216 8.130 0.086 25850 5026 1 9 . 1 1 99 99 LEU N N 99 126.765 126.765 122.625 4.140 25850 5027 1 9 . 1 1 99 99 LEU HA H 99 4.399 4.399 4.846 -0.447 25850 5028 1 9 . 1 1 99 99 LEU C C 99 176.093 176.093 176.385 -0.292 25850 5029 1 9 . 1 1 99 99 LEU CA C 99 54.853 54.853 54.710 0.143 25850 5030 1 9 . 1 1 99 99 LEU CB C 99 42.135 42.135 43.123 -0.988 25850 5031 1 9 . 1 1 99 99 LEU H H 99 8.326 8.326 8.204 0.122 25850 5032 1 10 . 1 1 2 2 GLY C C 2 173.891 173.891 174.448 -0.557 25850 5033 1 10 . 1 1 2 2 GLY CA C 2 44.831 44.831 45.069 -0.238 25850 5034 1 10 . 1 1 3 3 SER N N 3 117.545 117.545 122.286 -4.741 25850 5035 1 10 . 1 1 3 3 SER HA H 3 4.799 4.799 4.534 0.265 25850 5036 1 10 . 1 1 3 3 SER C C 3 173.162 173.162 174.488 -1.326 25850 5037 1 10 . 1 1 3 3 SER CA C 3 56.530 56.530 57.155 -0.625 25850 5038 1 10 . 1 1 3 3 SER CB C 3 63.002 63.002 63.396 -0.394 25850 5039 1 10 . 1 1 3 3 SER H H 3 8.428 8.428 8.065 0.363 25850 5040 1 10 . 1 1 4 4 PRO HA H 4 4.644 4.644 4.300 0.344 25850 5041 1 10 . 1 1 4 4 PRO C C 4 178.093 178.093 178.514 -0.421 25850 5042 1 10 . 1 1 4 4 PRO CA C 4 65.378 65.378 65.377 0.001 25850 5043 1 10 . 1 1 4 4 PRO CB C 4 31.965 31.965 32.074 -0.109 25850 5044 1 10 . 1 1 5 5 ASP N N 5 115.270 115.270 117.012 -1.742 25850 5045 1 10 . 1 1 5 5 ASP HA H 5 4.353 4.353 4.288 0.065 25850 5046 1 10 . 1 1 5 5 ASP C C 5 178.915 178.915 178.196 0.719 25850 5047 1 10 . 1 1 5 5 ASP CA C 5 56.796 56.796 57.453 -0.657 25850 5048 1 10 . 1 1 5 5 ASP CB C 5 40.690 40.690 40.649 0.041 25850 5049 1 10 . 1 1 5 5 ASP H H 5 8.233 8.233 8.841 -0.608 25850 5050 1 10 . 1 1 6 6 GLU N N 6 121.390 121.390 118.335 3.055 25850 5051 1 10 . 1 1 6 6 GLU HA H 6 4.027 4.027 3.924 0.103 25850 5052 1 10 . 1 1 6 6 GLU C C 6 178.836 178.836 178.469 0.367 25850 5053 1 10 . 1 1 6 6 GLU CA C 6 58.594 58.594 58.797 -0.203 25850 5054 1 10 . 1 1 6 6 GLU CB C 6 29.641 29.641 29.596 0.045 25850 5055 1 10 . 1 1 6 6 GLU H H 6 7.770 7.770 7.644 0.126 25850 5056 1 10 . 1 1 7 7 ASN N N 7 119.966 119.966 118.436 1.530 25850 5057 1 10 . 1 1 7 7 ASN HA H 7 4.155 4.155 4.117 0.038 25850 5058 1 10 . 1 1 7 7 ASN C C 7 176.723 176.723 176.993 -0.270 25850 5059 1 10 . 1 1 7 7 ASN CA C 7 55.007 55.007 55.494 -0.487 25850 5060 1 10 . 1 1 7 7 ASN CB C 7 36.627 36.627 37.715 -1.088 25850 5061 1 10 . 1 1 7 7 ASN H H 7 8.378 8.378 7.785 0.593 25850 5062 1 10 . 1 1 8 8 ILE N N 8 119.915 119.915 120.709 -0.794 25850 5063 1 10 . 1 1 8 8 ILE HA H 8 3.608 3.608 3.424 0.184 25850 5064 1 10 . 1 1 8 8 ILE CA C 8 66.495 66.495 65.565 0.930 25850 5065 1 10 . 1 1 8 8 ILE CB C 8 37.558 37.558 37.526 0.032 25850 5066 1 10 . 1 1 8 8 ILE H H 8 8.626 8.626 7.321 1.305 25850 5067 1 10 . 1 1 9 9 ALA N N 9 121.268 121.268 120.760 0.508 25850 5068 1 10 . 1 1 9 9 ALA HA H 9 4.235 4.235 4.221 0.014 25850 5069 1 10 . 1 1 9 9 ALA C C 9 180.624 180.624 179.458 1.166 25850 5070 1 10 . 1 1 9 9 ALA CA C 9 54.922 54.922 54.631 0.291 25850 5071 1 10 . 1 1 9 9 ALA CB C 9 17.710 17.710 18.209 -0.499 25850 5072 1 10 . 1 1 9 9 ALA H H 9 7.597 7.597 7.588 0.009 25850 5073 1 10 . 1 1 10 10 LYS N N 10 118.798 118.798 119.255 -0.457 25850 5074 1 10 . 1 1 10 10 LYS HA H 10 4.011 4.011 4.014 -0.003 25850 5075 1 10 . 1 1 10 10 LYS C C 10 180.034 180.034 178.898 1.136 25850 5076 1 10 . 1 1 10 10 LYS CA C 10 59.264 59.264 59.217 0.047 25850 5077 1 10 . 1 1 10 10 LYS CB C 10 31.744 31.744 32.264 -0.520 25850 5078 1 10 . 1 1 10 10 LYS H H 10 7.569 7.569 7.126 0.443 25850 5079 1 10 . 1 1 11 11 PHE N N 11 121.394 121.394 117.368 4.026 25850 5080 1 10 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.383 0.345 25850 5081 1 10 . 1 1 11 11 PHE C C 11 178.445 178.445 178.630 -0.185 25850 5082 1 10 . 1 1 11 11 PHE CA C 11 59.549 59.549 58.812 0.737 25850 5083 1 10 . 1 1 11 11 PHE CB C 11 39.001 39.001 38.004 0.997 25850 5084 1 10 . 1 1 11 11 PHE H H 11 8.347 8.347 7.552 0.795 25850 5085 1 10 . 1 1 12 12 GLU N N 12 121.864 121.864 119.956 1.908 25850 5086 1 10 . 1 1 12 12 GLU HA H 12 4.127 4.127 4.087 0.040 25850 5087 1 10 . 1 1 12 12 GLU C C 12 179.600 179.600 178.661 0.939 25850 5088 1 10 . 1 1 12 12 GLU CA C 12 59.803 59.803 59.372 0.431 25850 5089 1 10 . 1 1 12 12 GLU CB C 12 29.488 29.488 29.243 0.245 25850 5090 1 10 . 1 1 12 12 GLU H H 12 9.184 9.184 8.358 0.826 25850 5091 1 10 . 1 1 13 13 LYS N N 13 120.472 120.472 120.313 0.159 25850 5092 1 10 . 1 1 13 13 LYS HA H 13 4.127 4.127 4.063 0.064 25850 5093 1 10 . 1 1 13 13 LYS C C 13 179.120 179.120 178.744 0.376 25850 5094 1 10 . 1 1 13 13 LYS CA C 13 59.308 59.308 58.941 0.366 25850 5095 1 10 . 1 1 13 13 LYS CB C 13 32.147 32.147 32.043 0.104 25850 5096 1 10 . 1 1 13 13 LYS H H 13 7.800 7.800 7.714 0.086 25850 5097 1 10 . 1 1 14 14 ALA N N 14 122.753 122.753 120.603 2.150 25850 5098 1 10 . 1 1 14 14 ALA HA H 14 4.205 4.205 4.177 0.028 25850 5099 1 10 . 1 1 14 14 ALA C C 14 180.640 180.640 179.559 1.081 25850 5100 1 10 . 1 1 14 14 ALA CA C 14 54.756 54.756 54.731 0.025 25850 5101 1 10 . 1 1 14 14 ALA CB C 14 17.913 17.913 18.282 -0.369 25850 5102 1 10 . 1 1 14 14 ALA H H 14 8.001 8.001 7.717 0.284 25850 5103 1 10 . 1 1 15 15 TYR HA H 15 3.850 3.850 4.146 -0.296 25850 5104 1 10 . 1 1 15 15 TYR C C 15 175.898 175.898 177.410 -1.512 25850 5105 1 10 . 1 1 15 15 TYR CA C 15 62.008 62.008 61.247 0.761 25850 5106 1 10 . 1 1 15 15 TYR CB C 15 37.756 37.756 38.445 -0.689 25850 5107 1 10 . 1 1 15 15 TYR H H 15 8.906 8.906 7.940 0.966 25850 5108 1 10 . 1 1 16 16 LYS N N 16 119.082 119.082 117.901 1.181 25850 5109 1 10 . 1 1 16 16 LYS HA H 16 3.985 3.985 3.858 0.127 25850 5110 1 10 . 1 1 16 16 LYS C C 16 179.068 179.068 179.003 0.065 25850 5111 1 10 . 1 1 16 16 LYS CA C 16 58.622 58.622 58.577 0.045 25850 5112 1 10 . 1 1 16 16 LYS CB C 16 32.131 32.131 31.670 0.461 25850 5113 1 10 . 1 1 16 16 LYS H H 16 8.059 8.059 7.963 0.096 25850 5114 1 10 . 1 1 17 17 LYS N N 17 119.708 119.708 119.251 0.457 25850 5115 1 10 . 1 1 17 17 LYS HA H 17 4.142 4.142 4.310 -0.168 25850 5116 1 10 . 1 1 17 17 LYS CA C 17 57.951 57.951 58.893 -0.942 25850 5117 1 10 . 1 1 17 17 LYS CB C 17 31.802 31.802 32.223 -0.421 25850 5118 1 10 . 1 1 17 17 LYS H H 17 7.900 7.900 7.713 0.187 25850 5119 1 10 . 1 1 18 18 ALA N N 18 120.860 120.860 122.045 -1.185 25850 5120 1 10 . 1 1 18 18 ALA HA H 18 4.329 4.329 4.008 0.321 25850 5121 1 10 . 1 1 18 18 ALA C C 18 179.572 179.572 178.599 0.973 25850 5122 1 10 . 1 1 18 18 ALA CA C 18 54.110 54.110 55.026 -0.916 25850 5123 1 10 . 1 1 18 18 ALA CB C 18 18.782 18.782 18.265 0.517 25850 5124 1 10 . 1 1 18 18 ALA H H 18 7.854 7.854 7.728 0.126 25850 5125 1 10 . 1 1 19 19 GLU N N 19 120.904 120.904 119.011 1.893 25850 5126 1 10 . 1 1 19 19 GLU HA H 19 4.240 4.240 3.867 0.373 25850 5127 1 10 . 1 1 19 19 GLU C C 19 180.268 180.268 178.761 1.507 25850 5128 1 10 . 1 1 19 19 GLU CA C 19 59.147 59.147 58.482 0.665 25850 5129 1 10 . 1 1 19 19 GLU CB C 19 29.889 29.889 29.647 0.242 25850 5130 1 10 . 1 1 19 19 GLU H H 19 8.690 8.690 7.871 0.819 25850 5131 1 10 . 1 1 20 20 GLU N N 20 120.868 120.868 118.256 2.612 25850 5132 1 10 . 1 1 20 20 GLU HA H 20 4.024 4.024 4.081 -0.057 25850 5133 1 10 . 1 1 20 20 GLU C C 20 177.975 177.975 178.126 -0.151 25850 5134 1 10 . 1 1 20 20 GLU CA C 20 58.935 58.935 58.540 0.395 25850 5135 1 10 . 1 1 20 20 GLU CB C 20 29.549 29.549 29.186 0.363 25850 5136 1 10 . 1 1 20 20 GLU H H 20 7.898 7.898 7.887 0.011 25850 5137 1 10 . 1 1 21 21 LEU N N 21 116.701 116.701 117.488 -0.787 25850 5138 1 10 . 1 1 21 21 LEU HA H 21 4.351 4.351 4.314 0.037 25850 5139 1 10 . 1 1 21 21 LEU C C 21 176.199 176.199 176.069 0.130 25850 5140 1 10 . 1 1 21 21 LEU CA C 21 54.158 54.158 54.561 -0.403 25850 5141 1 10 . 1 1 21 21 LEU CB C 21 41.776 41.776 42.248 -0.472 25850 5142 1 10 . 1 1 21 21 LEU H H 21 7.393 7.393 7.480 -0.087 25850 5143 1 10 . 1 1 22 22 ASN N N 22 118.557 118.557 113.968 4.589 25850 5144 1 10 . 1 1 22 22 ASN HA H 22 4.278 4.278 4.329 -0.051 25850 5145 1 10 . 1 1 22 22 ASN C C 22 174.436 174.436 174.628 -0.192 25850 5146 1 10 . 1 1 22 22 ASN CA C 22 54.104 54.104 53.885 0.219 25850 5147 1 10 . 1 1 22 22 ASN CB C 22 37.364 37.364 36.819 0.545 25850 5148 1 10 . 1 1 22 22 ASN H H 22 7.994 7.994 7.592 0.402 25850 5149 1 10 . 1 1 23 23 GLN N N 23 118.344 118.344 119.056 -0.712 25850 5150 1 10 . 1 1 23 23 GLN HA H 23 4.557 4.557 4.413 0.144 25850 5151 1 10 . 1 1 23 23 GLN C C 23 176.685 176.685 176.348 0.337 25850 5152 1 10 . 1 1 23 23 GLN CA C 23 53.983 53.983 55.392 -1.409 25850 5153 1 10 . 1 1 23 23 GLN CB C 23 27.770 27.770 27.607 0.163 25850 5154 1 10 . 1 1 23 23 GLN H H 23 8.378 8.378 7.706 0.672 25850 5155 1 10 . 1 1 24 24 GLY N N 24 113.071 113.071 113.258 -0.187 25850 5156 1 10 . 1 1 24 24 GLY C C 24 175.286 175.286 175.281 0.005 25850 5157 1 10 . 1 1 24 24 GLY CA C 24 47.823 47.823 46.866 0.957 25850 5158 1 10 . 1 1 24 24 GLY H H 24 8.468 8.468 8.498 -0.030 25850 5159 1 10 . 1 1 25 25 GLU N N 25 120.717 120.717 122.719 -2.002 25850 5160 1 10 . 1 1 25 25 GLU HA H 25 4.124 4.124 4.158 -0.034 25850 5161 1 10 . 1 1 25 25 GLU C C 25 176.495 176.495 178.583 -2.088 25850 5162 1 10 . 1 1 25 25 GLU CA C 25 59.621 59.621 59.133 0.488 25850 5163 1 10 . 1 1 25 25 GLU CB C 25 28.636 28.636 28.963 -0.327 25850 5164 1 10 . 1 1 25 25 GLU H H 25 9.067 9.067 8.134 0.933 25850 5165 1 10 . 1 1 26 26 LEU HA H 26 4.222 4.222 4.061 0.161 25850 5166 1 10 . 1 1 26 26 LEU C C 26 180.590 180.590 179.463 1.127 25850 5167 1 10 . 1 1 26 26 LEU CA C 26 56.882 56.882 57.432 -0.550 25850 5168 1 10 . 1 1 26 26 LEU CB C 26 41.231 41.231 41.859 -0.628 25850 5169 1 10 . 1 1 26 26 LEU H H 26 7.165 7.165 7.626 -0.461 25850 5170 1 10 . 1 1 27 27 MET N N 27 121.053 121.053 117.417 3.636 25850 5171 1 10 . 1 1 27 27 MET HA H 27 3.932 3.932 4.239 -0.307 25850 5172 1 10 . 1 1 27 27 MET CA C 27 59.980 59.980 59.719 0.261 25850 5173 1 10 . 1 1 27 27 MET CB C 27 34.537 34.537 32.272 2.265 25850 5174 1 10 . 1 1 27 27 MET H H 27 8.203 8.203 8.086 0.117 25850 5175 1 10 . 1 1 28 28 GLY N N 28 106.038 106.038 106.790 -0.752 25850 5176 1 10 . 1 1 28 28 GLY C C 28 174.900 174.900 175.670 -0.770 25850 5177 1 10 . 1 1 28 28 GLY CA C 28 47.672 47.672 46.399 1.273 25850 5178 1 10 . 1 1 28 28 GLY H H 28 8.527 8.527 8.105 0.422 25850 5179 1 10 . 1 1 29 29 ARG N N 29 120.201 120.201 122.315 -2.114 25850 5180 1 10 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.245 -0.050 25850 5181 1 10 . 1 1 29 29 ARG C C 29 178.065 178.065 178.718 -0.653 25850 5182 1 10 . 1 1 29 29 ARG CA C 29 59.974 59.974 59.514 0.460 25850 5183 1 10 . 1 1 29 29 ARG CB C 29 30.416 30.416 30.210 0.205 25850 5184 1 10 . 1 1 29 29 ARG H H 29 8.224 8.224 8.135 0.089 25850 5185 1 10 . 1 1 30 30 ALA N N 30 121.394 121.394 122.723 -1.329 25850 5186 1 10 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.124 0.073 25850 5187 1 10 . 1 1 30 30 ALA C C 30 179.433 179.433 179.682 -0.249 25850 5188 1 10 . 1 1 30 30 ALA CA C 30 55.838 55.838 55.094 0.744 25850 5189 1 10 . 1 1 30 30 ALA CB C 30 18.269 18.269 18.334 -0.065 25850 5190 1 10 . 1 1 30 30 ALA H H 30 7.876 7.876 7.802 0.074 25850 5191 1 10 . 1 1 31 31 LEU N N 31 116.122 116.122 118.735 -2.613 25850 5192 1 10 . 1 1 31 31 LEU HA H 31 4.003 4.003 3.887 0.116 25850 5193 1 10 . 1 1 31 31 LEU C C 31 178.416 178.416 179.080 -0.664 25850 5194 1 10 . 1 1 31 31 LEU CA C 31 57.921 57.921 57.721 0.200 25850 5195 1 10 . 1 1 31 31 LEU CB C 31 42.463 42.463 41.755 0.708 25850 5196 1 10 . 1 1 31 31 LEU H H 31 8.084 8.084 7.703 0.381 25850 5197 1 10 . 1 1 32 32 TYR N N 32 119.225 119.225 120.098 -0.873 25850 5198 1 10 . 1 1 32 32 TYR HA H 32 4.063 4.063 4.355 -0.292 25850 5199 1 10 . 1 1 32 32 TYR C C 32 176.310 176.310 177.728 -1.418 25850 5200 1 10 . 1 1 32 32 TYR CA C 32 61.992 61.992 61.820 0.172 25850 5201 1 10 . 1 1 32 32 TYR CB C 32 38.659 38.659 38.553 0.106 25850 5202 1 10 . 1 1 32 32 TYR H H 32 8.562 8.562 8.653 -0.091 25850 5203 1 10 . 1 1 33 33 ASN N N 33 116.880 116.880 117.220 -0.340 25850 5204 1 10 . 1 1 33 33 ASN HA H 33 4.068 4.068 4.313 -0.245 25850 5205 1 10 . 1 1 33 33 ASN C C 33 178.353 178.353 177.765 0.588 25850 5206 1 10 . 1 1 33 33 ASN CA C 33 55.858 55.858 55.169 0.689 25850 5207 1 10 . 1 1 33 33 ASN CB C 33 35.968 35.968 37.905 -1.937 25850 5208 1 10 . 1 1 33 33 ASN H H 33 8.213 8.213 7.960 0.253 25850 5209 1 10 . 1 1 34 34 ILE N N 34 121.401 121.401 120.181 1.220 25850 5210 1 10 . 1 1 34 34 ILE HA H 34 3.300 3.300 3.714 -0.414 25850 5211 1 10 . 1 1 34 34 ILE C C 34 177.867 177.867 177.575 0.292 25850 5212 1 10 . 1 1 34 34 ILE CA C 34 66.528 66.528 65.481 1.047 25850 5213 1 10 . 1 1 34 34 ILE CB C 34 37.839 37.839 37.486 0.353 25850 5214 1 10 . 1 1 34 34 ILE H H 34 8.087 8.087 8.122 -0.035 25850 5215 1 10 . 1 1 35 35 GLY N N 35 107.275 107.275 107.647 -0.372 25850 5216 1 10 . 1 1 35 35 GLY C C 35 175.048 175.048 175.766 -0.718 25850 5217 1 10 . 1 1 35 35 GLY CA C 35 48.547 48.547 46.797 1.750 25850 5218 1 10 . 1 1 35 35 GLY H H 35 7.922 7.922 7.683 0.239 25850 5219 1 10 . 1 1 36 36 LEU N N 36 120.414 120.414 121.696 -1.282 25850 5220 1 10 . 1 1 36 36 LEU HA H 36 4.048 4.048 4.087 -0.039 25850 5221 1 10 . 1 1 36 36 LEU C C 36 180.804 180.804 179.043 1.761 25850 5222 1 10 . 1 1 36 36 LEU CA C 36 58.063 58.063 57.317 0.746 25850 5223 1 10 . 1 1 36 36 LEU CB C 36 41.701 41.701 41.514 0.187 25850 5224 1 10 . 1 1 36 36 LEU H H 36 8.177 8.177 7.667 0.510 25850 5225 1 10 . 1 1 37 37 GLU N N 37 120.083 120.083 119.006 1.077 25850 5226 1 10 . 1 1 37 37 GLU HA H 37 4.075 4.075 4.097 -0.022 25850 5227 1 10 . 1 1 37 37 GLU C C 37 179.517 179.517 179.306 0.211 25850 5228 1 10 . 1 1 37 37 GLU CA C 37 58.603 58.603 58.936 -0.333 25850 5229 1 10 . 1 1 37 37 GLU CB C 37 29.799 29.799 28.855 0.944 25850 5230 1 10 . 1 1 37 37 GLU H H 37 7.750 7.750 7.626 0.124 25850 5231 1 10 . 1 1 38 38 LYS N N 38 118.263 118.263 118.365 -0.102 25850 5232 1 10 . 1 1 38 38 LYS HA H 38 3.862 3.862 3.983 -0.121 25850 5233 1 10 . 1 1 38 38 LYS C C 38 179.253 179.253 178.538 0.715 25850 5234 1 10 . 1 1 38 38 LYS CA C 38 57.937 57.937 58.609 -0.672 25850 5235 1 10 . 1 1 38 38 LYS CB C 38 30.769 30.769 31.801 -1.032 25850 5236 1 10 . 1 1 38 38 LYS H H 38 8.550 8.550 7.660 0.890 25850 5237 1 10 . 1 1 39 39 ASN N N 39 118.329 118.329 117.820 0.509 25850 5238 1 10 . 1 1 39 39 ASN HA H 39 4.193 4.193 4.498 -0.305 25850 5239 1 10 . 1 1 39 39 ASN C C 39 179.428 179.428 177.334 2.094 25850 5240 1 10 . 1 1 39 39 ASN CA C 39 56.177 56.177 55.827 0.350 25850 5241 1 10 . 1 1 39 39 ASN CB C 39 38.478 38.478 38.730 -0.252 25850 5242 1 10 . 1 1 39 39 ASN H H 39 8.294 8.294 8.045 0.249 25850 5243 1 10 . 1 1 40 40 LYS N N 40 121.176 121.176 118.005 3.171 25850 5244 1 10 . 1 1 40 40 LYS HA H 40 4.047 4.047 4.171 -0.124 25850 5245 1 10 . 1 1 40 40 LYS C C 40 178.229 178.229 178.454 -0.225 25850 5246 1 10 . 1 1 40 40 LYS CA C 40 59.471 59.471 58.444 1.027 25850 5247 1 10 . 1 1 40 40 LYS CB C 40 32.427 32.427 32.058 0.369 25850 5248 1 10 . 1 1 40 40 LYS H H 40 7.912 7.912 7.800 0.112 25850 5249 1 10 . 1 1 41 41 MET N N 41 114.548 114.548 117.438 -2.890 25850 5250 1 10 . 1 1 41 41 MET HA H 41 4.512 4.512 4.422 0.090 25850 5251 1 10 . 1 1 41 41 MET C C 41 175.915 175.915 176.918 -1.003 25850 5252 1 10 . 1 1 41 41 MET CA C 41 55.529 55.529 55.860 -0.331 25850 5253 1 10 . 1 1 41 41 MET CB C 41 34.022 34.022 32.924 1.098 25850 5254 1 10 . 1 1 41 41 MET H H 41 7.389 7.389 7.649 -0.260 25850 5255 1 10 . 1 1 42 42 GLY N N 42 107.409 107.409 107.301 0.108 25850 5256 1 10 . 1 1 42 42 GLY C C 42 175.041 175.041 174.790 0.251 25850 5257 1 10 . 1 1 42 42 GLY CA C 42 45.335 45.335 45.421 -0.086 25850 5258 1 10 . 1 1 42 42 GLY H H 42 7.929 7.929 7.603 0.326 25850 5259 1 10 . 1 1 43 43 LYS N N 43 124.326 124.326 121.544 2.782 25850 5260 1 10 . 1 1 43 43 LYS HA H 43 4.684 4.684 4.462 0.222 25850 5261 1 10 . 1 1 43 43 LYS C C 43 176.514 176.514 176.088 0.426 25850 5262 1 10 . 1 1 43 43 LYS CA C 43 53.791 53.791 54.577 -0.786 25850 5263 1 10 . 1 1 43 43 LYS CB C 43 30.065 30.065 31.238 -1.173 25850 5264 1 10 . 1 1 43 43 LYS H H 43 8.040 8.040 7.994 0.046 25850 5265 1 10 . 1 1 44 44 VAL N N 44 121.020 121.020 121.144 -0.124 25850 5266 1 10 . 1 1 44 44 VAL HA H 44 3.580 3.580 3.589 -0.009 25850 5267 1 10 . 1 1 44 44 VAL C C 44 177.096 177.096 177.338 -0.242 25850 5268 1 10 . 1 1 44 44 VAL CA C 44 66.166 66.166 66.050 0.116 25850 5269 1 10 . 1 1 44 44 VAL CB C 44 31.869 31.869 31.738 0.131 25850 5270 1 10 . 1 1 44 44 VAL H H 44 7.439 7.439 7.544 -0.105 25850 5271 1 10 . 1 1 45 45 LYS N N 45 119.164 119.164 118.983 0.181 25850 5272 1 10 . 1 1 45 45 LYS HA H 45 3.950 3.950 3.914 0.036 25850 5273 1 10 . 1 1 45 45 LYS C C 45 179.726 179.726 178.939 0.787 25850 5274 1 10 . 1 1 45 45 LYS CA C 45 60.153 60.153 59.281 0.873 25850 5275 1 10 . 1 1 45 45 LYS CB C 45 31.446 31.446 31.452 -0.006 25850 5276 1 10 . 1 1 45 45 LYS H H 45 8.427 8.427 8.625 -0.198 25850 5277 1 10 . 1 1 46 46 GLU N N 46 118.446 118.446 119.046 -0.600 25850 5278 1 10 . 1 1 46 46 GLU HA H 46 4.092 4.092 4.091 0.001 25850 5279 1 10 . 1 1 46 46 GLU C C 46 178.490 178.490 178.668 -0.178 25850 5280 1 10 . 1 1 46 46 GLU CA C 46 59.327 59.327 58.640 0.687 25850 5281 1 10 . 1 1 46 46 GLU CB C 46 29.764 29.764 29.577 0.187 25850 5282 1 10 . 1 1 46 46 GLU H H 46 7.867 7.867 7.654 0.213 25850 5283 1 10 . 1 1 47 47 ALA N N 47 122.279 122.279 123.535 -1.256 25850 5284 1 10 . 1 1 47 47 ALA HA H 47 3.513 3.513 3.645 -0.132 25850 5285 1 10 . 1 1 47 47 ALA C C 47 178.065 178.065 178.977 -0.912 25850 5286 1 10 . 1 1 47 47 ALA CA C 47 55.905 55.905 55.026 0.879 25850 5287 1 10 . 1 1 47 47 ALA CB C 47 18.256 18.256 18.177 0.079 25850 5288 1 10 . 1 1 47 47 ALA H H 47 8.315 8.315 7.482 0.833 25850 5289 1 10 . 1 1 48 48 ILE N N 48 115.863 115.863 117.942 -2.079 25850 5290 1 10 . 1 1 48 48 ILE HA H 48 3.401 3.401 3.500 -0.099 25850 5291 1 10 . 1 1 48 48 ILE C C 48 176.808 176.808 177.963 -1.155 25850 5292 1 10 . 1 1 48 48 ILE CA C 48 66.282 66.282 65.610 0.672 25850 5293 1 10 . 1 1 48 48 ILE CB C 48 38.375 38.375 37.572 0.803 25850 5294 1 10 . 1 1 48 48 ILE H H 48 8.077 8.077 8.081 -0.004 25850 5295 1 10 . 1 1 49 49 GLU N N 49 116.853 116.853 118.890 -2.037 25850 5296 1 10 . 1 1 49 49 GLU HA H 49 3.920 3.920 3.878 0.042 25850 5297 1 10 . 1 1 49 49 GLU C C 49 179.914 179.914 179.186 0.728 25850 5298 1 10 . 1 1 49 49 GLU CA C 49 59.535 59.535 59.238 0.297 25850 5299 1 10 . 1 1 49 49 GLU CB C 49 28.995 28.995 28.956 0.039 25850 5300 1 10 . 1 1 49 49 GLU H H 49 7.175 7.175 7.558 -0.383 25850 5301 1 10 . 1 1 50 50 TYR N N 50 117.578 117.578 119.131 -1.553 25850 5302 1 10 . 1 1 50 50 TYR HA H 50 3.774 3.774 4.180 -0.406 25850 5303 1 10 . 1 1 50 50 TYR C C 50 178.462 178.462 178.581 -0.119 25850 5304 1 10 . 1 1 50 50 TYR CA C 50 64.368 64.368 61.397 2.971 25850 5305 1 10 . 1 1 50 50 TYR CB C 50 37.345 37.345 37.978 -0.633 25850 5306 1 10 . 1 1 50 50 TYR H H 50 7.676 7.676 7.808 -0.132 25850 5307 1 10 . 1 1 51 51 PHE N N 51 119.480 119.480 118.111 1.369 25850 5308 1 10 . 1 1 51 51 PHE HA H 51 4.711 4.711 4.497 0.214 25850 5309 1 10 . 1 1 51 51 PHE C C 51 178.720 178.720 178.018 0.702 25850 5310 1 10 . 1 1 51 51 PHE CA C 51 58.958 58.958 59.983 -1.025 25850 5311 1 10 . 1 1 51 51 PHE CB C 51 37.771 37.771 38.066 -0.294 25850 5312 1 10 . 1 1 51 51 PHE H H 51 9.013 9.013 8.235 0.778 25850 5313 1 10 . 1 1 52 52 LEU N N 52 120.365 120.365 120.594 -0.229 25850 5314 1 10 . 1 1 52 52 LEU HA H 52 4.093 4.093 4.000 0.093 25850 5315 1 10 . 1 1 52 52 LEU C C 52 180.229 180.229 179.053 1.176 25850 5316 1 10 . 1 1 52 52 LEU CA C 52 58.252 58.252 58.229 0.023 25850 5317 1 10 . 1 1 52 52 LEU CB C 52 42.160 42.160 41.492 0.668 25850 5318 1 10 . 1 1 52 52 LEU H H 52 8.906 8.906 8.263 0.643 25850 5319 1 10 . 1 1 53 53 ARG N N 53 119.294 119.294 119.198 0.096 25850 5320 1 10 . 1 1 53 53 ARG HA H 53 3.929 3.929 3.999 -0.070 25850 5321 1 10 . 1 1 53 53 ARG C C 53 179.087 179.087 178.516 0.571 25850 5322 1 10 . 1 1 53 53 ARG CA C 53 59.580 59.580 59.669 -0.089 25850 5323 1 10 . 1 1 53 53 ARG CB C 53 31.418 31.418 29.868 1.550 25850 5324 1 10 . 1 1 53 53 ARG H H 53 7.846 7.846 8.498 -0.652 25850 5325 1 10 . 1 1 54 54 ALA N N 54 121.351 121.351 121.864 -0.513 25850 5326 1 10 . 1 1 54 54 ALA HA H 54 3.693 3.693 3.939 -0.246 25850 5327 1 10 . 1 1 54 54 ALA C C 54 177.631 177.631 179.060 -1.429 25850 5328 1 10 . 1 1 54 54 ALA CA C 54 55.115 55.115 55.338 -0.223 25850 5329 1 10 . 1 1 54 54 ALA CB C 54 17.612 17.612 18.373 -0.761 25850 5330 1 10 . 1 1 54 54 ALA H H 54 8.892 8.892 8.228 0.664 25850 5331 1 10 . 1 1 55 55 LYS N N 55 117.135 117.135 118.871 -1.736 25850 5332 1 10 . 1 1 55 55 LYS HA H 55 3.835 3.835 4.273 -0.438 25850 5333 1 10 . 1 1 55 55 LYS C C 55 176.970 176.970 178.499 -1.529 25850 5334 1 10 . 1 1 55 55 LYS CA C 55 60.725 60.725 59.672 1.052 25850 5335 1 10 . 1 1 55 55 LYS CB C 55 32.602 32.602 32.407 0.195 25850 5336 1 10 . 1 1 55 55 LYS H H 55 8.626 8.626 8.104 0.522 25850 5337 1 10 . 1 1 56 56 LYS N N 56 116.695 116.695 119.894 -3.199 25850 5338 1 10 . 1 1 56 56 LYS HA H 56 4.171 4.171 4.196 -0.025 25850 5339 1 10 . 1 1 56 56 LYS C C 56 180.037 180.037 179.014 1.023 25850 5340 1 10 . 1 1 56 56 LYS CA C 56 59.606 59.606 59.435 0.171 25850 5341 1 10 . 1 1 56 56 LYS CB C 56 32.349 32.349 32.291 0.058 25850 5342 1 10 . 1 1 56 56 LYS H H 56 7.652 7.652 7.932 -0.280 25850 5343 1 10 . 1 1 57 57 VAL N N 57 120.809 120.809 118.034 2.775 25850 5344 1 10 . 1 1 57 57 VAL HA H 57 3.753 3.753 3.734 0.019 25850 5345 1 10 . 1 1 57 57 VAL C C 57 178.174 178.174 178.084 0.090 25850 5346 1 10 . 1 1 57 57 VAL CA C 57 66.226 66.226 65.383 0.843 25850 5347 1 10 . 1 1 57 57 VAL CB C 57 31.424 31.424 30.874 0.550 25850 5348 1 10 . 1 1 57 57 VAL H H 57 7.583 7.583 7.608 -0.025 25850 5349 1 10 . 1 1 58 58 PHE N N 58 118.864 118.864 119.564 -0.700 25850 5350 1 10 . 1 1 58 58 PHE HA H 58 4.521 4.521 4.197 0.324 25850 5351 1 10 . 1 1 58 58 PHE C C 58 179.187 179.187 177.743 1.444 25850 5352 1 10 . 1 1 58 58 PHE CA C 58 59.849 59.849 61.415 -1.566 25850 5353 1 10 . 1 1 58 58 PHE CB C 58 37.753 37.753 37.777 -0.024 25850 5354 1 10 . 1 1 58 58 PHE H H 58 8.871 8.871 8.104 0.767 25850 5355 1 10 . 1 1 59 59 ASP N N 59 119.714 119.714 119.730 -0.016 25850 5356 1 10 . 1 1 59 59 ASP HA H 59 4.444 4.444 4.488 -0.044 25850 5357 1 10 . 1 1 59 59 ASP C C 59 180.066 180.066 178.166 1.900 25850 5358 1 10 . 1 1 59 59 ASP CA C 59 57.201 57.201 57.060 0.140 25850 5359 1 10 . 1 1 59 59 ASP CB C 59 39.713 39.713 40.252 -0.539 25850 5360 1 10 . 1 1 59 59 ASP H H 59 9.157 9.157 8.342 0.815 25850 5361 1 10 . 1 1 60 60 ALA N N 60 124.290 124.290 121.996 2.294 25850 5362 1 10 . 1 1 60 60 ALA HA H 60 4.087 4.087 3.988 0.099 25850 5363 1 10 . 1 1 60 60 ALA C C 60 179.389 179.389 178.930 0.459 25850 5364 1 10 . 1 1 60 60 ALA CA C 60 54.760 54.760 54.142 0.618 25850 5365 1 10 . 1 1 60 60 ALA CB C 60 18.025 18.025 18.746 -0.721 25850 5366 1 10 . 1 1 60 60 ALA H H 60 7.742 7.742 7.511 0.231 25850 5367 1 10 . 1 1 61 61 GLU N N 61 114.493 114.493 116.080 -1.587 25850 5368 1 10 . 1 1 61 61 GLU HA H 61 4.259 4.259 4.145 0.114 25850 5369 1 10 . 1 1 61 61 GLU C C 61 175.970 175.970 176.275 -0.305 25850 5370 1 10 . 1 1 61 61 GLU CA C 61 55.049 55.049 56.553 -1.504 25850 5371 1 10 . 1 1 61 61 GLU CB C 61 29.724 29.724 30.051 -0.327 25850 5372 1 10 . 1 1 61 61 GLU H H 61 7.908 7.908 7.685 0.223 25850 5373 1 10 . 1 1 62 62 HIS N N 62 115.130 115.130 113.369 1.761 25850 5374 1 10 . 1 1 62 62 HIS HA H 62 4.264 4.264 4.272 -0.008 25850 5375 1 10 . 1 1 62 62 HIS C C 62 173.916 173.916 173.851 0.065 25850 5376 1 10 . 1 1 62 62 HIS CA C 62 56.531 56.531 56.846 -0.315 25850 5377 1 10 . 1 1 62 62 HIS CB C 62 26.039 26.039 27.210 -1.171 25850 5378 1 10 . 1 1 62 62 HIS H H 62 7.830 7.830 7.392 0.438 25850 5379 1 10 . 1 1 63 63 ASP N N 63 118.507 118.507 119.427 -0.920 25850 5380 1 10 . 1 1 63 63 ASP HA H 63 4.854 4.854 4.745 0.109 25850 5381 1 10 . 1 1 63 63 ASP C C 63 176.143 176.143 176.782 -0.639 25850 5382 1 10 . 1 1 63 63 ASP CA C 63 52.127 52.127 53.357 -1.230 25850 5383 1 10 . 1 1 63 63 ASP CB C 63 40.068 40.068 41.218 -1.150 25850 5384 1 10 . 1 1 63 63 ASP H H 63 8.521 8.521 8.150 0.371 25850 5385 1 10 . 1 1 64 64 THR N N 64 119.037 119.037 121.791 -2.754 25850 5386 1 10 . 1 1 64 64 THR HA H 64 3.869 3.869 4.000 -0.131 25850 5387 1 10 . 1 1 64 64 THR C C 64 176.814 176.814 175.461 1.353 25850 5388 1 10 . 1 1 64 64 THR CA C 64 65.198 65.198 65.549 -0.352 25850 5389 1 10 . 1 1 64 64 THR CB C 64 68.315 68.315 69.031 -0.716 25850 5390 1 10 . 1 1 64 64 THR H H 64 7.907 7.907 8.161 -0.254 25850 5391 1 10 . 1 1 65 65 ASP N N 65 122.892 122.892 121.275 1.617 25850 5392 1 10 . 1 1 65 65 ASP HA H 65 4.287 4.287 4.251 0.036 25850 5393 1 10 . 1 1 65 65 ASP C C 65 178.326 178.326 178.162 0.164 25850 5394 1 10 . 1 1 65 65 ASP CA C 65 57.350 57.350 58.060 -0.710 25850 5395 1 10 . 1 1 65 65 ASP CB C 65 41.121 41.121 40.127 0.994 25850 5396 1 10 . 1 1 65 65 ASP H H 65 8.375 8.375 8.212 0.163 25850 5397 1 10 . 1 1 66 66 GLY N N 66 109.334 109.334 106.288 3.046 25850 5398 1 10 . 1 1 66 66 GLY C C 66 175.861 175.861 175.191 0.670 25850 5399 1 10 . 1 1 66 66 GLY CA C 66 46.136 46.136 45.622 0.514 25850 5400 1 10 . 1 1 66 66 GLY H H 66 8.234 8.234 7.819 0.415 25850 5401 1 10 . 1 1 67 67 ALA N N 67 122.888 122.888 125.261 -2.373 25850 5402 1 10 . 1 1 67 67 ALA HA H 67 3.892 3.892 3.986 -0.094 25850 5403 1 10 . 1 1 67 67 ALA C C 67 179.384 179.384 179.429 -0.045 25850 5404 1 10 . 1 1 67 67 ALA CA C 67 55.960 55.960 54.764 1.196 25850 5405 1 10 . 1 1 67 67 ALA CB C 67 18.611 18.611 18.609 0.002 25850 5406 1 10 . 1 1 67 67 ALA H H 67 7.949 7.949 7.522 0.427 25850 5407 1 10 . 1 1 68 68 ARG N N 68 118.221 118.221 117.435 0.786 25850 5408 1 10 . 1 1 68 68 ARG HA H 68 3.993 3.993 4.057 -0.064 25850 5409 1 10 . 1 1 68 68 ARG C C 68 179.355 179.355 178.748 0.607 25850 5410 1 10 . 1 1 68 68 ARG CA C 68 59.234 59.234 58.926 0.308 25850 5411 1 10 . 1 1 68 68 ARG CB C 68 29.799 29.799 30.244 -0.445 25850 5412 1 10 . 1 1 68 68 ARG H H 68 7.917 7.917 7.929 -0.012 25850 5413 1 10 . 1 1 69 69 ARG N N 69 120.551 120.551 120.158 0.393 25850 5414 1 10 . 1 1 69 69 ARG HA H 69 3.923 3.923 3.969 -0.046 25850 5415 1 10 . 1 1 69 69 ARG C C 69 179.120 179.120 178.043 1.077 25850 5416 1 10 . 1 1 69 69 ARG CA C 69 59.310 59.310 59.039 0.271 25850 5417 1 10 . 1 1 69 69 ARG CB C 69 29.189 29.189 29.795 -0.606 25850 5418 1 10 . 1 1 69 69 ARG H H 69 7.749 7.749 7.978 -0.229 25850 5419 1 10 . 1 1 70 70 ALA N N 70 121.098 121.098 121.715 -0.617 25850 5420 1 10 . 1 1 70 70 ALA HA H 70 4.016 4.016 4.181 -0.165 25850 5421 1 10 . 1 1 70 70 ALA C C 70 178.438 178.438 179.215 -0.777 25850 5422 1 10 . 1 1 70 70 ALA CA C 70 55.536 55.536 54.870 0.666 25850 5423 1 10 . 1 1 70 70 ALA CB C 70 17.216 17.216 18.246 -1.030 25850 5424 1 10 . 1 1 70 70 ALA H H 70 8.245 8.245 7.899 0.346 25850 5425 1 10 . 1 1 71 71 ALA N N 71 119.333 119.333 120.234 -0.901 25850 5426 1 10 . 1 1 71 71 ALA HA H 71 4.047 4.047 4.123 -0.076 25850 5427 1 10 . 1 1 71 71 ALA C C 71 180.219 180.219 179.443 0.776 25850 5428 1 10 . 1 1 71 71 ALA CA C 71 55.083 55.083 54.735 0.348 25850 5429 1 10 . 1 1 71 71 ALA CB C 71 18.198 18.198 18.305 -0.107 25850 5430 1 10 . 1 1 71 71 ALA H H 71 8.565 8.565 7.885 0.680 25850 5431 1 10 . 1 1 72 72 LYS N N 72 121.188 121.188 119.385 1.803 25850 5432 1 10 . 1 1 72 72 LYS HA H 72 4.107 4.107 4.026 0.081 25850 5433 1 10 . 1 1 72 72 LYS C C 72 179.155 179.155 178.630 0.525 25850 5434 1 10 . 1 1 72 72 LYS CA C 72 59.271 59.271 58.796 0.475 25850 5435 1 10 . 1 1 72 72 LYS CB C 72 31.786 31.786 32.065 -0.279 25850 5436 1 10 . 1 1 72 72 LYS H H 72 8.108 8.108 7.831 0.277 25850 5437 1 10 . 1 1 73 73 SER N N 73 116.976 116.976 114.707 2.269 25850 5438 1 10 . 1 1 73 73 SER HA H 73 3.957 3.957 4.462 -0.505 25850 5439 1 10 . 1 1 73 73 SER C C 73 176.394 176.394 176.631 -0.237 25850 5440 1 10 . 1 1 73 73 SER CA C 73 62.753 62.753 60.614 2.139 25850 5441 1 10 . 1 1 73 73 SER CB C 73 60.718 60.718 62.445 -1.727 25850 5442 1 10 . 1 1 73 73 SER H H 73 8.057 8.057 7.464 0.593 25850 5443 1 10 . 1 1 74 74 LEU N N 74 123.741 123.741 122.386 1.355 25850 5444 1 10 . 1 1 74 74 LEU HA H 74 3.831 3.831 3.952 -0.121 25850 5445 1 10 . 1 1 74 74 LEU C C 74 176.704 176.704 178.485 -1.781 25850 5446 1 10 . 1 1 74 74 LEU CA C 74 58.545 58.545 58.275 0.270 25850 5447 1 10 . 1 1 74 74 LEU CB C 74 41.862 41.862 41.784 0.078 25850 5448 1 10 . 1 1 74 74 LEU H H 74 8.341 8.341 8.187 0.154 25850 5449 1 10 . 1 1 75 75 SER N N 75 113.508 113.508 114.469 -0.961 25850 5450 1 10 . 1 1 75 75 SER HA H 75 4.277 4.277 4.262 0.015 25850 5451 1 10 . 1 1 75 75 SER C C 75 177.668 177.668 176.935 0.733 25850 5452 1 10 . 1 1 75 75 SER CA C 75 61.926 61.926 61.856 0.070 25850 5453 1 10 . 1 1 75 75 SER CB C 75 62.702 62.702 62.955 -0.253 25850 5454 1 10 . 1 1 75 75 SER H H 75 8.055 8.055 8.112 -0.057 25850 5455 1 10 . 1 1 76 76 GLU N N 76 119.999 119.999 120.526 -0.527 25850 5456 1 10 . 1 1 76 76 GLU HA H 76 4.041 4.041 4.110 -0.069 25850 5457 1 10 . 1 1 76 76 GLU C C 76 178.836 178.836 178.809 0.027 25850 5458 1 10 . 1 1 76 76 GLU CA C 76 58.928 58.928 58.851 0.077 25850 5459 1 10 . 1 1 76 76 GLU CB C 76 29.684 29.684 29.578 0.106 25850 5460 1 10 . 1 1 76 76 GLU H H 76 7.874 7.874 7.659 0.215 25850 5461 1 10 . 1 1 77 77 ALA N N 77 123.551 123.551 123.084 0.467 25850 5462 1 10 . 1 1 77 77 ALA HA H 77 4.242 4.242 4.122 0.120 25850 5463 1 10 . 1 1 77 77 ALA C C 77 180.005 180.005 179.533 0.472 25850 5464 1 10 . 1 1 77 77 ALA CA C 77 55.031 55.031 54.703 0.328 25850 5465 1 10 . 1 1 77 77 ALA CB C 77 18.237 18.237 18.512 -0.275 25850 5466 1 10 . 1 1 77 77 ALA H H 77 8.043 8.043 7.645 0.398 25850 5467 1 10 . 1 1 78 78 TYR N N 78 116.371 116.371 117.383 -1.012 25850 5468 1 10 . 1 1 78 78 TYR HA H 78 4.418 4.418 4.200 0.218 25850 5469 1 10 . 1 1 78 78 TYR C C 78 178.901 178.901 178.472 0.429 25850 5470 1 10 . 1 1 78 78 TYR CA C 78 60.302 60.302 61.591 -1.289 25850 5471 1 10 . 1 1 78 78 TYR CB C 78 37.416 37.416 37.817 -0.401 25850 5472 1 10 . 1 1 78 78 TYR H H 78 8.699 8.699 8.333 0.366 25850 5473 1 10 . 1 1 79 79 GLN N N 79 116.649 116.649 117.625 -0.976 25850 5474 1 10 . 1 1 79 79 GLN HA H 79 4.212 4.212 4.153 0.059 25850 5475 1 10 . 1 1 79 79 GLN C C 79 177.778 177.778 176.614 1.164 25850 5476 1 10 . 1 1 79 79 GLN CA C 79 57.922 57.922 58.451 -0.529 25850 5477 1 10 . 1 1 79 79 GLN CB C 79 28.659 28.659 28.659 0.000 25850 5478 1 10 . 1 1 79 79 GLN H H 79 7.667 7.667 7.797 -0.130 25850 5479 1 10 . 1 1 80 80 LYS N N 80 118.855 118.855 117.058 1.797 25850 5480 1 10 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.274 0.019 25850 5481 1 10 . 1 1 80 80 LYS C C 80 178.038 178.038 178.036 0.002 25850 5482 1 10 . 1 1 80 80 LYS CA C 80 57.474 57.474 58.151 -0.677 25850 5483 1 10 . 1 1 80 80 LYS CB C 80 32.816 32.816 32.444 0.372 25850 5484 1 10 . 1 1 80 80 LYS H H 80 7.766 7.766 7.460 0.306 25850 5485 1 10 . 1 1 81 81 VAL N N 81 117.863 117.863 119.283 -1.420 25850 5486 1 10 . 1 1 81 81 VAL HA H 81 4.076 4.076 3.971 0.105 25850 5487 1 10 . 1 1 81 81 VAL C C 81 176.805 176.805 177.339 -0.534 25850 5488 1 10 . 1 1 81 81 VAL CA C 81 63.409 63.409 65.131 -1.722 25850 5489 1 10 . 1 1 81 81 VAL CB C 81 32.423 32.423 32.745 -0.322 25850 5490 1 10 . 1 1 81 81 VAL H H 81 7.821 7.821 7.528 0.293 25850 5491 1 10 . 1 1 82 82 GLU N N 82 122.552 122.552 120.605 1.947 25850 5492 1 10 . 1 1 82 82 GLU HA H 82 4.277 4.277 4.368 -0.091 25850 5493 1 10 . 1 1 82 82 GLU C C 82 177.559 177.559 176.248 1.311 25850 5494 1 10 . 1 1 82 82 GLU CA C 82 57.300 57.300 56.013 1.287 25850 5495 1 10 . 1 1 82 82 GLU CB C 82 29.927 29.927 28.349 1.578 25850 5496 1 10 . 1 1 82 82 GLU H H 82 8.329 8.329 8.121 0.208 25850 5497 1 10 . 1 1 83 83 GLY N N 83 109.040 109.040 109.192 -0.152 25850 5498 1 10 . 1 1 83 83 GLY C C 83 174.590 174.590 172.748 1.842 25850 5499 1 10 . 1 1 83 83 GLY CA C 83 45.530 45.530 44.677 0.853 25850 5500 1 10 . 1 1 83 83 GLY H H 83 8.309 8.309 7.748 0.561 25850 5501 1 10 . 1 1 84 84 SER N N 84 115.258 115.258 116.464 -1.206 25850 5502 1 10 . 1 1 84 84 SER HA H 84 4.495 4.495 4.628 -0.133 25850 5503 1 10 . 1 1 84 84 SER C C 84 175.217 175.217 173.801 1.416 25850 5504 1 10 . 1 1 84 84 SER CA C 84 58.580 58.580 58.165 0.415 25850 5505 1 10 . 1 1 84 84 SER CB C 84 63.827 63.827 65.336 -1.509 25850 5506 1 10 . 1 1 84 84 SER H H 84 8.180 8.180 8.357 -0.177 25850 5507 1 10 . 1 1 85 85 GLY N N 85 110.681 110.681 111.512 -0.831 25850 5508 1 10 . 1 1 85 85 GLY C C 85 174.063 174.063 173.414 0.649 25850 5509 1 10 . 1 1 85 85 GLY CA C 85 45.395 45.395 44.694 0.701 25850 5510 1 10 . 1 1 85 85 GLY H H 85 8.472 8.472 8.297 0.175 25850 5511 1 10 . 1 1 86 86 ASP N N 86 120.537 120.537 121.440 -0.903 25850 5512 1 10 . 1 1 86 86 ASP HA H 86 4.597 4.597 4.686 -0.089 25850 5513 1 10 . 1 1 86 86 ASP C C 86 176.761 176.761 176.610 0.151 25850 5514 1 10 . 1 1 86 86 ASP CA C 86 54.451 54.451 53.786 0.665 25850 5515 1 10 . 1 1 86 86 ASP CB C 86 41.069 41.069 42.602 -1.532 25850 5516 1 10 . 1 1 86 86 ASP H H 86 8.272 8.272 8.446 -0.174 25850 5517 1 10 . 1 1 87 87 LYS N N 87 121.608 121.608 122.081 -0.473 25850 5518 1 10 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.387 -0.141 25850 5519 1 10 . 1 1 87 87 LYS C C 87 177.342 177.342 176.511 0.831 25850 5520 1 10 . 1 1 87 87 LYS CA C 87 56.545 56.545 55.597 0.948 25850 5521 1 10 . 1 1 87 87 LYS CB C 87 32.302 32.302 33.233 -0.931 25850 5522 1 10 . 1 1 87 87 LYS H H 87 8.344 8.344 8.108 0.236 25850 5523 1 10 . 1 1 88 88 GLY N N 88 108.711 108.711 109.175 -0.464 25850 5524 1 10 . 1 1 88 88 GLY C C 88 174.216 174.216 174.754 -0.538 25850 5525 1 10 . 1 1 88 88 GLY CA C 88 45.339 45.339 45.912 -0.573 25850 5526 1 10 . 1 1 88 88 GLY H H 88 8.449 8.449 8.234 0.215 25850 5527 1 10 . 1 1 89 89 LYS N N 89 120.508 120.508 119.232 1.276 25850 5528 1 10 . 1 1 89 89 LYS HA H 89 4.266 4.266 3.734 0.532 25850 5529 1 10 . 1 1 89 89 LYS C C 89 176.464 176.464 174.961 1.503 25850 5530 1 10 . 1 1 89 89 LYS CA C 89 56.214 56.214 54.378 1.836 25850 5531 1 10 . 1 1 89 89 LYS CB C 89 32.824 32.824 34.225 -1.401 25850 5532 1 10 . 1 1 89 89 LYS H H 89 7.958 7.958 7.818 0.140 25850 5533 1 10 . 1 1 90 90 ILE N N 90 121.127 121.127 117.789 3.338 25850 5534 1 10 . 1 1 90 90 ILE HA H 90 4.091 4.091 3.770 0.321 25850 5535 1 10 . 1 1 90 90 ILE C C 90 175.896 175.896 174.650 1.246 25850 5536 1 10 . 1 1 90 90 ILE CA C 90 61.022 61.022 61.537 -0.515 25850 5537 1 10 . 1 1 90 90 ILE CB C 90 38.488 38.488 36.614 1.874 25850 5538 1 10 . 1 1 90 90 ILE H H 90 8.005 8.005 7.934 0.071 25850 5539 1 10 . 1 1 91 91 PHE N N 91 123.843 123.843 121.883 1.960 25850 5540 1 10 . 1 1 91 91 PHE HA H 91 4.615 4.615 4.520 0.095 25850 5541 1 10 . 1 1 91 91 PHE C C 91 175.327 175.327 176.254 -0.927 25850 5542 1 10 . 1 1 91 91 PHE CA C 91 57.565 57.565 57.898 -0.333 25850 5543 1 10 . 1 1 91 91 PHE CB C 91 39.457 39.457 39.355 0.103 25850 5544 1 10 . 1 1 91 91 PHE H H 91 8.283 8.283 7.826 0.457 25850 5545 1 10 . 1 1 92 92 GLN N N 92 122.349 122.349 123.824 -1.475 25850 5546 1 10 . 1 1 92 92 GLN HA H 92 4.296 4.296 4.279 0.017 25850 5547 1 10 . 1 1 92 92 GLN C C 92 175.338 175.338 175.651 -0.313 25850 5548 1 10 . 1 1 92 92 GLN CA C 92 55.492 55.492 55.724 -0.232 25850 5549 1 10 . 1 1 92 92 GLN CB C 92 29.708 29.708 29.362 0.346 25850 5550 1 10 . 1 1 92 92 GLN H H 92 8.212 8.212 8.471 -0.259 25850 5551 1 10 . 1 1 93 93 LYS N N 93 123.137 123.137 125.187 -2.050 25850 5552 1 10 . 1 1 93 93 LYS HA H 93 4.250 4.250 4.312 -0.062 25850 5553 1 10 . 1 1 93 93 LYS C C 93 176.492 176.492 177.557 -1.065 25850 5554 1 10 . 1 1 93 93 LYS CA C 93 56.272 56.272 56.229 0.043 25850 5555 1 10 . 1 1 93 93 LYS CB C 93 33.055 33.055 33.178 -0.123 25850 5556 1 10 . 1 1 93 93 LYS H H 93 8.364 8.364 8.501 -0.137 25850 5557 1 10 . 1 1 94 94 GLU N N 94 122.671 122.671 126.334 -3.663 25850 5558 1 10 . 1 1 94 94 GLU HA H 94 4.246 4.246 4.077 0.169 25850 5559 1 10 . 1 1 94 94 GLU C C 94 177.008 177.008 176.924 0.084 25850 5560 1 10 . 1 1 94 94 GLU CA C 94 56.848 56.848 57.654 -0.806 25850 5561 1 10 . 1 1 94 94 GLU CB C 94 30.054 30.054 29.881 0.173 25850 5562 1 10 . 1 1 94 94 GLU H H 94 8.571 8.571 8.827 -0.256 25850 5563 1 10 . 1 1 95 95 GLY N N 95 110.337 110.337 109.302 1.035 25850 5564 1 10 . 1 1 95 95 GLY C C 95 174.070 174.070 175.460 -1.390 25850 5565 1 10 . 1 1 95 95 GLY CA C 95 45.191 45.191 45.360 -0.169 25850 5566 1 10 . 1 1 95 95 GLY H H 95 8.490 8.490 8.065 0.425 25850 5567 1 10 . 1 1 96 96 GLU N N 96 120.183 120.183 120.621 -0.438 25850 5568 1 10 . 1 1 96 96 GLU HA H 96 4.339 4.339 4.042 0.297 25850 5569 1 10 . 1 1 96 96 GLU C C 96 176.463 176.463 176.751 -0.288 25850 5570 1 10 . 1 1 96 96 GLU CA C 96 56.204 56.204 57.238 -1.034 25850 5571 1 10 . 1 1 96 96 GLU CB C 96 30.433 30.433 29.749 0.684 25850 5572 1 10 . 1 1 96 96 GLU H H 96 8.142 8.142 8.750 -0.608 25850 5573 1 10 . 1 1 97 97 SER N N 97 116.979 116.979 112.928 4.051 25850 5574 1 10 . 1 1 97 97 SER HA H 97 4.472 4.472 4.122 0.350 25850 5575 1 10 . 1 1 97 97 SER C C 97 174.162 174.162 173.919 0.243 25850 5576 1 10 . 1 1 97 97 SER CA C 97 58.070 58.070 58.525 -0.455 25850 5577 1 10 . 1 1 97 97 SER CB C 97 63.710 63.710 62.132 1.578 25850 5578 1 10 . 1 1 97 97 SER H H 97 8.381 8.381 8.388 -0.007 25850 5579 1 10 . 1 1 98 98 ILE N N 98 122.626 122.626 116.927 5.699 25850 5580 1 10 . 1 1 98 98 ILE HA H 98 4.201 4.201 4.187 0.014 25850 5581 1 10 . 1 1 98 98 ILE C C 98 175.921 175.921 176.827 -0.906 25850 5582 1 10 . 1 1 98 98 ILE CA C 98 60.947 60.947 60.399 0.548 25850 5583 1 10 . 1 1 98 98 ILE CB C 98 38.616 38.616 38.734 -0.118 25850 5584 1 10 . 1 1 98 98 ILE H H 98 8.216 8.216 7.706 0.510 25850 5585 1 10 . 1 1 99 99 LEU N N 99 126.765 126.765 122.170 4.595 25850 5586 1 10 . 1 1 99 99 LEU HA H 99 4.399 4.399 4.532 -0.133 25850 5587 1 10 . 1 1 99 99 LEU C C 99 176.093 176.093 176.311 -0.218 25850 5588 1 10 . 1 1 99 99 LEU CA C 99 54.853 54.853 55.134 -0.281 25850 5589 1 10 . 1 1 99 99 LEU CB C 99 42.135 42.135 40.392 1.743 25850 5590 1 10 . 1 1 99 99 LEU H H 99 8.326 8.326 8.315 0.011 25850 5591 1 11 . 1 1 2 2 GLY C C 2 173.891 173.891 173.636 0.255 25850 5592 1 11 . 1 1 2 2 GLY CA C 2 44.831 44.831 44.696 0.135 25850 5593 1 11 . 1 1 3 3 SER N N 3 117.545 117.545 116.679 0.866 25850 5594 1 11 . 1 1 3 3 SER HA H 3 4.799 4.799 4.493 0.306 25850 5595 1 11 . 1 1 3 3 SER C C 3 173.162 173.162 173.584 -0.422 25850 5596 1 11 . 1 1 3 3 SER CA C 3 56.530 56.530 56.101 0.429 25850 5597 1 11 . 1 1 3 3 SER CB C 3 63.002 63.002 63.597 -0.595 25850 5598 1 11 . 1 1 3 3 SER H H 3 8.428 8.428 7.626 0.802 25850 5599 1 11 . 1 1 4 4 PRO HA H 4 4.644 4.644 4.533 0.111 25850 5600 1 11 . 1 1 4 4 PRO C C 4 178.093 178.093 178.216 -0.123 25850 5601 1 11 . 1 1 4 4 PRO CA C 4 65.378 65.378 64.574 0.804 25850 5602 1 11 . 1 1 4 4 PRO CB C 4 31.965 31.965 32.162 -0.197 25850 5603 1 11 . 1 1 5 5 ASP N N 5 115.270 115.270 117.057 -1.787 25850 5604 1 11 . 1 1 5 5 ASP HA H 5 4.353 4.353 4.244 0.109 25850 5605 1 11 . 1 1 5 5 ASP C C 5 178.915 178.915 178.010 0.905 25850 5606 1 11 . 1 1 5 5 ASP CA C 5 56.796 56.796 57.761 -0.965 25850 5607 1 11 . 1 1 5 5 ASP CB C 5 40.690 40.690 40.715 -0.025 25850 5608 1 11 . 1 1 5 5 ASP H H 5 8.233 8.233 8.730 -0.497 25850 5609 1 11 . 1 1 6 6 GLU N N 6 121.390 121.390 118.410 2.980 25850 5610 1 11 . 1 1 6 6 GLU HA H 6 4.027 4.027 3.950 0.077 25850 5611 1 11 . 1 1 6 6 GLU C C 6 178.836 178.836 178.966 -0.130 25850 5612 1 11 . 1 1 6 6 GLU CA C 6 58.594 58.594 59.114 -0.520 25850 5613 1 11 . 1 1 6 6 GLU CB C 6 29.641 29.641 29.176 0.465 25850 5614 1 11 . 1 1 6 6 GLU H H 6 7.770 7.770 7.744 0.026 25850 5615 1 11 . 1 1 7 7 ASN N N 7 119.966 119.966 117.577 2.389 25850 5616 1 11 . 1 1 7 7 ASN HA H 7 4.155 4.155 4.141 0.014 25850 5617 1 11 . 1 1 7 7 ASN C C 7 176.723 176.723 177.416 -0.693 25850 5618 1 11 . 1 1 7 7 ASN CA C 7 55.007 55.007 55.343 -0.336 25850 5619 1 11 . 1 1 7 7 ASN CB C 7 36.627 36.627 38.044 -1.417 25850 5620 1 11 . 1 1 7 7 ASN H H 7 8.378 8.378 7.355 1.023 25850 5621 1 11 . 1 1 8 8 ILE N N 8 119.915 119.915 121.169 -1.254 25850 5622 1 11 . 1 1 8 8 ILE HA H 8 3.608 3.608 3.642 -0.034 25850 5623 1 11 . 1 1 8 8 ILE CA C 8 66.495 66.495 65.777 0.718 25850 5624 1 11 . 1 1 8 8 ILE CB C 8 37.558 37.558 37.630 -0.072 25850 5625 1 11 . 1 1 8 8 ILE H H 8 8.626 8.626 8.182 0.444 25850 5626 1 11 . 1 1 9 9 ALA N N 9 121.268 121.268 121.183 0.085 25850 5627 1 11 . 1 1 9 9 ALA HA H 9 4.235 4.235 4.224 0.011 25850 5628 1 11 . 1 1 9 9 ALA C C 9 180.624 180.624 179.585 1.039 25850 5629 1 11 . 1 1 9 9 ALA CA C 9 54.922 54.922 55.117 -0.195 25850 5630 1 11 . 1 1 9 9 ALA CB C 9 17.710 17.710 18.397 -0.687 25850 5631 1 11 . 1 1 9 9 ALA H H 9 7.597 7.597 7.652 -0.055 25850 5632 1 11 . 1 1 10 10 LYS N N 10 118.798 118.798 118.554 0.244 25850 5633 1 11 . 1 1 10 10 LYS HA H 10 4.011 4.011 4.019 -0.008 25850 5634 1 11 . 1 1 10 10 LYS C C 10 180.034 180.034 179.155 0.879 25850 5635 1 11 . 1 1 10 10 LYS CA C 10 59.264 59.264 58.915 0.349 25850 5636 1 11 . 1 1 10 10 LYS CB C 10 31.744 31.744 32.048 -0.304 25850 5637 1 11 . 1 1 10 10 LYS H H 10 7.569 7.569 7.208 0.361 25850 5638 1 11 . 1 1 11 11 PHE N N 11 121.394 121.394 118.783 2.611 25850 5639 1 11 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.368 0.360 25850 5640 1 11 . 1 1 11 11 PHE C C 11 178.445 178.445 178.298 0.147 25850 5641 1 11 . 1 1 11 11 PHE CA C 11 59.549 59.549 59.290 0.259 25850 5642 1 11 . 1 1 11 11 PHE CB C 11 39.001 39.001 38.077 0.924 25850 5643 1 11 . 1 1 11 11 PHE H H 11 8.347 8.347 7.802 0.545 25850 5644 1 11 . 1 1 12 12 GLU N N 12 121.864 121.864 120.331 1.533 25850 5645 1 11 . 1 1 12 12 GLU HA H 12 4.127 4.127 4.121 0.006 25850 5646 1 11 . 1 1 12 12 GLU C C 12 179.600 179.600 178.956 0.644 25850 5647 1 11 . 1 1 12 12 GLU CA C 12 59.803 59.803 59.670 0.133 25850 5648 1 11 . 1 1 12 12 GLU CB C 12 29.488 29.488 29.349 0.139 25850 5649 1 11 . 1 1 12 12 GLU H H 12 9.184 9.184 8.358 0.826 25850 5650 1 11 . 1 1 13 13 LYS N N 13 120.472 120.472 119.694 0.778 25850 5651 1 11 . 1 1 13 13 LYS HA H 13 4.127 4.127 4.127 -0.000 25850 5652 1 11 . 1 1 13 13 LYS C C 13 179.120 179.120 178.975 0.145 25850 5653 1 11 . 1 1 13 13 LYS CA C 13 59.308 59.308 59.283 0.025 25850 5654 1 11 . 1 1 13 13 LYS CB C 13 32.147 32.147 32.410 -0.263 25850 5655 1 11 . 1 1 13 13 LYS H H 13 7.800 7.800 7.801 -0.001 25850 5656 1 11 . 1 1 14 14 ALA N N 14 122.753 122.753 121.614 1.139 25850 5657 1 11 . 1 1 14 14 ALA HA H 14 4.205 4.205 4.220 -0.015 25850 5658 1 11 . 1 1 14 14 ALA C C 14 180.640 180.640 179.580 1.060 25850 5659 1 11 . 1 1 14 14 ALA CA C 14 54.756 54.756 54.761 -0.005 25850 5660 1 11 . 1 1 14 14 ALA CB C 14 17.913 17.913 18.236 -0.323 25850 5661 1 11 . 1 1 14 14 ALA H H 14 8.001 8.001 8.130 -0.129 25850 5662 1 11 . 1 1 15 15 TYR HA H 15 3.850 3.850 4.176 -0.326 25850 5663 1 11 . 1 1 15 15 TYR C C 15 175.898 175.898 177.557 -1.659 25850 5664 1 11 . 1 1 15 15 TYR CA C 15 62.008 62.008 61.162 0.846 25850 5665 1 11 . 1 1 15 15 TYR CB C 15 37.756 37.756 38.403 -0.647 25850 5666 1 11 . 1 1 15 15 TYR H H 15 8.906 8.906 7.876 1.030 25850 5667 1 11 . 1 1 16 16 LYS N N 16 119.082 119.082 118.042 1.040 25850 5668 1 11 . 1 1 16 16 LYS HA H 16 3.985 3.985 3.789 0.196 25850 5669 1 11 . 1 1 16 16 LYS C C 16 179.068 179.068 178.659 0.409 25850 5670 1 11 . 1 1 16 16 LYS CA C 16 58.622 58.622 59.699 -1.077 25850 5671 1 11 . 1 1 16 16 LYS CB C 16 32.131 32.131 32.207 -0.076 25850 5672 1 11 . 1 1 16 16 LYS H H 16 8.059 8.059 7.774 0.285 25850 5673 1 11 . 1 1 17 17 LYS N N 17 119.708 119.708 120.145 -0.437 25850 5674 1 11 . 1 1 17 17 LYS HA H 17 4.142 4.142 4.296 -0.154 25850 5675 1 11 . 1 1 17 17 LYS CA C 17 57.951 57.951 59.223 -1.272 25850 5676 1 11 . 1 1 17 17 LYS CB C 17 31.802 31.802 32.527 -0.725 25850 5677 1 11 . 1 1 17 17 LYS H H 17 7.900 7.900 7.832 0.068 25850 5678 1 11 . 1 1 18 18 ALA N N 18 120.860 120.860 121.372 -0.512 25850 5679 1 11 . 1 1 18 18 ALA HA H 18 4.329 4.329 4.064 0.265 25850 5680 1 11 . 1 1 18 18 ALA C C 18 179.572 179.572 179.037 0.535 25850 5681 1 11 . 1 1 18 18 ALA CA C 18 54.110 54.110 55.024 -0.914 25850 5682 1 11 . 1 1 18 18 ALA CB C 18 18.782 18.782 18.115 0.667 25850 5683 1 11 . 1 1 18 18 ALA H H 18 7.854 7.854 8.004 -0.150 25850 5684 1 11 . 1 1 19 19 GLU N N 19 120.904 120.904 118.511 2.393 25850 5685 1 11 . 1 1 19 19 GLU HA H 19 4.240 4.240 3.926 0.314 25850 5686 1 11 . 1 1 19 19 GLU C C 19 180.268 180.268 178.831 1.437 25850 5687 1 11 . 1 1 19 19 GLU CA C 19 59.147 59.147 58.497 0.650 25850 5688 1 11 . 1 1 19 19 GLU CB C 19 29.889 29.889 29.460 0.429 25850 5689 1 11 . 1 1 19 19 GLU H H 19 8.690 8.690 7.764 0.926 25850 5690 1 11 . 1 1 20 20 GLU N N 20 120.868 120.868 119.240 1.628 25850 5691 1 11 . 1 1 20 20 GLU HA H 20 4.024 4.024 4.065 -0.041 25850 5692 1 11 . 1 1 20 20 GLU C C 20 177.975 177.975 178.606 -0.631 25850 5693 1 11 . 1 1 20 20 GLU CA C 20 58.935 58.935 58.683 0.252 25850 5694 1 11 . 1 1 20 20 GLU CB C 20 29.549 29.549 29.757 -0.208 25850 5695 1 11 . 1 1 20 20 GLU H H 20 7.898 7.898 7.673 0.225 25850 5696 1 11 . 1 1 21 21 LEU N N 21 116.701 116.701 116.752 -0.051 25850 5697 1 11 . 1 1 21 21 LEU HA H 21 4.351 4.351 4.225 0.126 25850 5698 1 11 . 1 1 21 21 LEU C C 21 176.199 176.199 176.911 -0.712 25850 5699 1 11 . 1 1 21 21 LEU CA C 21 54.158 54.158 55.012 -0.854 25850 5700 1 11 . 1 1 21 21 LEU CB C 21 41.776 41.776 42.364 -0.588 25850 5701 1 11 . 1 1 21 21 LEU H H 21 7.393 7.393 7.525 -0.132 25850 5702 1 11 . 1 1 22 22 ASN N N 22 118.557 118.557 114.470 4.087 25850 5703 1 11 . 1 1 22 22 ASN HA H 22 4.278 4.278 4.309 -0.031 25850 5704 1 11 . 1 1 22 22 ASN C C 22 174.436 174.436 174.285 0.151 25850 5705 1 11 . 1 1 22 22 ASN CA C 22 54.104 54.104 54.018 0.086 25850 5706 1 11 . 1 1 22 22 ASN CB C 22 37.364 37.364 37.852 -0.488 25850 5707 1 11 . 1 1 22 22 ASN H H 22 7.994 7.994 7.802 0.192 25850 5708 1 11 . 1 1 23 23 GLN N N 23 118.344 118.344 118.166 0.178 25850 5709 1 11 . 1 1 23 23 GLN HA H 23 4.557 4.557 4.363 0.194 25850 5710 1 11 . 1 1 23 23 GLN C C 23 176.685 176.685 176.636 0.049 25850 5711 1 11 . 1 1 23 23 GLN CA C 23 53.983 53.983 55.924 -1.941 25850 5712 1 11 . 1 1 23 23 GLN CB C 23 27.770 27.770 28.705 -0.935 25850 5713 1 11 . 1 1 23 23 GLN H H 23 8.378 8.378 7.545 0.833 25850 5714 1 11 . 1 1 24 24 GLY N N 24 113.071 113.071 113.582 -0.511 25850 5715 1 11 . 1 1 24 24 GLY C C 24 175.286 175.286 175.226 0.060 25850 5716 1 11 . 1 1 24 24 GLY CA C 24 47.823 47.823 46.567 1.256 25850 5717 1 11 . 1 1 24 24 GLY H H 24 8.468 8.468 8.614 -0.146 25850 5718 1 11 . 1 1 25 25 GLU N N 25 120.717 120.717 122.000 -1.283 25850 5719 1 11 . 1 1 25 25 GLU HA H 25 4.124 4.124 4.156 -0.032 25850 5720 1 11 . 1 1 25 25 GLU C C 25 176.495 176.495 178.334 -1.839 25850 5721 1 11 . 1 1 25 25 GLU CA C 25 59.621 59.621 59.067 0.554 25850 5722 1 11 . 1 1 25 25 GLU CB C 25 28.636 28.636 28.773 -0.137 25850 5723 1 11 . 1 1 25 25 GLU H H 25 9.067 9.067 8.419 0.648 25850 5724 1 11 . 1 1 26 26 LEU HA H 26 4.222 4.222 4.093 0.129 25850 5725 1 11 . 1 1 26 26 LEU C C 26 180.590 180.590 179.500 1.090 25850 5726 1 11 . 1 1 26 26 LEU CA C 26 56.882 56.882 57.511 -0.629 25850 5727 1 11 . 1 1 26 26 LEU CB C 26 41.231 41.231 41.866 -0.635 25850 5728 1 11 . 1 1 26 26 LEU H H 26 7.165 7.165 7.383 -0.218 25850 5729 1 11 . 1 1 27 27 MET N N 27 121.053 121.053 117.209 3.844 25850 5730 1 11 . 1 1 27 27 MET HA H 27 3.932 3.932 4.260 -0.328 25850 5731 1 11 . 1 1 27 27 MET CA C 27 59.980 59.980 59.740 0.240 25850 5732 1 11 . 1 1 27 27 MET CB C 27 34.537 34.537 32.327 2.210 25850 5733 1 11 . 1 1 27 27 MET H H 27 8.203 8.203 8.113 0.090 25850 5734 1 11 . 1 1 28 28 GLY N N 28 106.038 106.038 107.159 -1.121 25850 5735 1 11 . 1 1 28 28 GLY C C 28 174.900 174.900 175.747 -0.847 25850 5736 1 11 . 1 1 28 28 GLY CA C 28 47.672 47.672 46.508 1.164 25850 5737 1 11 . 1 1 28 28 GLY H H 28 8.527 8.527 8.122 0.405 25850 5738 1 11 . 1 1 29 29 ARG N N 29 120.201 120.201 121.930 -1.729 25850 5739 1 11 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.248 -0.053 25850 5740 1 11 . 1 1 29 29 ARG C C 29 178.065 178.065 178.598 -0.533 25850 5741 1 11 . 1 1 29 29 ARG CA C 29 59.974 59.974 59.395 0.579 25850 5742 1 11 . 1 1 29 29 ARG CB C 29 30.416 30.416 30.181 0.235 25850 5743 1 11 . 1 1 29 29 ARG H H 29 8.224 8.224 8.182 0.042 25850 5744 1 11 . 1 1 30 30 ALA N N 30 121.394 121.394 122.982 -1.588 25850 5745 1 11 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.044 0.153 25850 5746 1 11 . 1 1 30 30 ALA C C 30 179.433 179.433 179.642 -0.209 25850 5747 1 11 . 1 1 30 30 ALA CA C 30 55.838 55.838 55.158 0.680 25850 5748 1 11 . 1 1 30 30 ALA CB C 30 18.269 18.269 18.285 -0.016 25850 5749 1 11 . 1 1 30 30 ALA H H 30 7.876 7.876 7.984 -0.108 25850 5750 1 11 . 1 1 31 31 LEU N N 31 116.122 116.122 118.419 -2.297 25850 5751 1 11 . 1 1 31 31 LEU HA H 31 4.003 4.003 3.899 0.104 25850 5752 1 11 . 1 1 31 31 LEU C C 31 178.416 178.416 179.012 -0.596 25850 5753 1 11 . 1 1 31 31 LEU CA C 31 57.921 57.921 57.587 0.334 25850 5754 1 11 . 1 1 31 31 LEU CB C 31 42.463 42.463 41.766 0.697 25850 5755 1 11 . 1 1 31 31 LEU H H 31 8.084 8.084 7.738 0.346 25850 5756 1 11 . 1 1 32 32 TYR N N 32 119.225 119.225 120.519 -1.294 25850 5757 1 11 . 1 1 32 32 TYR HA H 32 4.063 4.063 4.343 -0.280 25850 5758 1 11 . 1 1 32 32 TYR C C 32 176.310 176.310 177.699 -1.389 25850 5759 1 11 . 1 1 32 32 TYR CA C 32 61.992 61.992 61.476 0.516 25850 5760 1 11 . 1 1 32 32 TYR CB C 32 38.659 38.659 38.583 0.076 25850 5761 1 11 . 1 1 32 32 TYR H H 32 8.562 8.562 8.616 -0.054 25850 5762 1 11 . 1 1 33 33 ASN N N 33 116.880 116.880 118.008 -1.128 25850 5763 1 11 . 1 1 33 33 ASN HA H 33 4.068 4.068 4.146 -0.078 25850 5764 1 11 . 1 1 33 33 ASN C C 33 178.353 178.353 177.606 0.747 25850 5765 1 11 . 1 1 33 33 ASN CA C 33 55.858 55.858 55.873 -0.015 25850 5766 1 11 . 1 1 33 33 ASN CB C 33 35.968 35.968 37.359 -1.391 25850 5767 1 11 . 1 1 33 33 ASN H H 33 8.213 8.213 8.175 0.038 25850 5768 1 11 . 1 1 34 34 ILE N N 34 121.401 121.401 120.257 1.144 25850 5769 1 11 . 1 1 34 34 ILE HA H 34 3.300 3.300 3.594 -0.294 25850 5770 1 11 . 1 1 34 34 ILE C C 34 177.867 177.867 177.753 0.114 25850 5771 1 11 . 1 1 34 34 ILE CA C 34 66.528 66.528 65.440 1.088 25850 5772 1 11 . 1 1 34 34 ILE CB C 34 37.839 37.839 37.102 0.737 25850 5773 1 11 . 1 1 34 34 ILE H H 34 8.087 8.087 7.949 0.138 25850 5774 1 11 . 1 1 35 35 GLY N N 35 107.275 107.275 107.891 -0.616 25850 5775 1 11 . 1 1 35 35 GLY C C 35 175.048 175.048 175.758 -0.710 25850 5776 1 11 . 1 1 35 35 GLY CA C 35 48.547 48.547 46.868 1.679 25850 5777 1 11 . 1 1 35 35 GLY H H 35 7.922 7.922 7.847 0.075 25850 5778 1 11 . 1 1 36 36 LEU N N 36 120.414 120.414 122.089 -1.675 25850 5779 1 11 . 1 1 36 36 LEU HA H 36 4.048 4.048 4.052 -0.004 25850 5780 1 11 . 1 1 36 36 LEU C C 36 180.804 180.804 179.244 1.560 25850 5781 1 11 . 1 1 36 36 LEU CA C 36 58.063 58.063 57.356 0.707 25850 5782 1 11 . 1 1 36 36 LEU CB C 36 41.701 41.701 41.485 0.216 25850 5783 1 11 . 1 1 36 36 LEU H H 36 8.177 8.177 7.888 0.289 25850 5784 1 11 . 1 1 37 37 GLU N N 37 120.083 120.083 118.838 1.245 25850 5785 1 11 . 1 1 37 37 GLU HA H 37 4.075 4.075 4.049 0.026 25850 5786 1 11 . 1 1 37 37 GLU C C 37 179.517 179.517 179.318 0.199 25850 5787 1 11 . 1 1 37 37 GLU CA C 37 58.603 58.603 58.788 -0.185 25850 5788 1 11 . 1 1 37 37 GLU CB C 37 29.799 29.799 28.940 0.859 25850 5789 1 11 . 1 1 37 37 GLU H H 37 7.750 7.750 8.238 -0.488 25850 5790 1 11 . 1 1 38 38 LYS N N 38 118.263 118.263 118.780 -0.517 25850 5791 1 11 . 1 1 38 38 LYS HA H 38 3.862 3.862 4.052 -0.190 25850 5792 1 11 . 1 1 38 38 LYS C C 38 179.253 179.253 178.596 0.657 25850 5793 1 11 . 1 1 38 38 LYS CA C 38 57.937 57.937 58.501 -0.564 25850 5794 1 11 . 1 1 38 38 LYS CB C 38 30.769 30.769 31.989 -1.220 25850 5795 1 11 . 1 1 38 38 LYS H H 38 8.550 8.550 7.905 0.645 25850 5796 1 11 . 1 1 39 39 ASN N N 39 118.329 118.329 117.868 0.461 25850 5797 1 11 . 1 1 39 39 ASN HA H 39 4.193 4.193 4.500 -0.307 25850 5798 1 11 . 1 1 39 39 ASN C C 39 179.428 179.428 177.339 2.089 25850 5799 1 11 . 1 1 39 39 ASN CA C 39 56.177 56.177 55.913 0.264 25850 5800 1 11 . 1 1 39 39 ASN CB C 39 38.478 38.478 38.722 -0.244 25850 5801 1 11 . 1 1 39 39 ASN H H 39 8.294 8.294 8.107 0.187 25850 5802 1 11 . 1 1 40 40 LYS N N 40 121.176 121.176 117.337 3.839 25850 5803 1 11 . 1 1 40 40 LYS HA H 40 4.047 4.047 4.014 0.033 25850 5804 1 11 . 1 1 40 40 LYS C C 40 178.229 178.229 178.451 -0.222 25850 5805 1 11 . 1 1 40 40 LYS CA C 40 59.471 59.471 58.565 0.906 25850 5806 1 11 . 1 1 40 40 LYS CB C 40 32.427 32.427 32.096 0.331 25850 5807 1 11 . 1 1 40 40 LYS H H 40 7.912 7.912 7.888 0.024 25850 5808 1 11 . 1 1 41 41 MET N N 41 114.548 114.548 117.970 -3.422 25850 5809 1 11 . 1 1 41 41 MET HA H 41 4.512 4.512 4.340 0.172 25850 5810 1 11 . 1 1 41 41 MET C C 41 175.915 175.915 176.364 -0.449 25850 5811 1 11 . 1 1 41 41 MET CA C 41 55.529 55.529 56.482 -0.953 25850 5812 1 11 . 1 1 41 41 MET CB C 41 34.022 34.022 33.099 0.923 25850 5813 1 11 . 1 1 41 41 MET H H 41 7.389 7.389 7.415 -0.026 25850 5814 1 11 . 1 1 42 42 GLY N N 42 107.409 107.409 106.673 0.736 25850 5815 1 11 . 1 1 42 42 GLY C C 42 175.041 175.041 175.111 -0.070 25850 5816 1 11 . 1 1 42 42 GLY CA C 42 45.335 45.335 45.632 -0.297 25850 5817 1 11 . 1 1 42 42 GLY H H 42 7.929 7.929 7.591 0.338 25850 5818 1 11 . 1 1 43 43 LYS N N 43 124.326 124.326 123.094 1.232 25850 5819 1 11 . 1 1 43 43 LYS HA H 43 4.684 4.684 4.404 0.280 25850 5820 1 11 . 1 1 43 43 LYS C C 43 176.514 176.514 176.513 0.001 25850 5821 1 11 . 1 1 43 43 LYS CA C 43 53.791 53.791 55.105 -1.314 25850 5822 1 11 . 1 1 43 43 LYS CB C 43 30.065 30.065 30.899 -0.834 25850 5823 1 11 . 1 1 43 43 LYS H H 43 8.040 8.040 8.118 -0.078 25850 5824 1 11 . 1 1 44 44 VAL N N 44 121.020 121.020 121.398 -0.378 25850 5825 1 11 . 1 1 44 44 VAL HA H 44 3.580 3.580 3.643 -0.063 25850 5826 1 11 . 1 1 44 44 VAL C C 44 177.096 177.096 177.406 -0.310 25850 5827 1 11 . 1 1 44 44 VAL CA C 44 66.166 66.166 66.401 -0.235 25850 5828 1 11 . 1 1 44 44 VAL CB C 44 31.869 31.869 31.909 -0.040 25850 5829 1 11 . 1 1 44 44 VAL H H 44 7.439 7.439 7.919 -0.480 25850 5830 1 11 . 1 1 45 45 LYS N N 45 119.164 119.164 120.366 -1.202 25850 5831 1 11 . 1 1 45 45 LYS HA H 45 3.950 3.950 3.991 -0.041 25850 5832 1 11 . 1 1 45 45 LYS C C 45 179.726 179.726 178.692 1.034 25850 5833 1 11 . 1 1 45 45 LYS CA C 45 60.153 60.153 60.245 -0.092 25850 5834 1 11 . 1 1 45 45 LYS CB C 45 31.446 31.446 31.762 -0.317 25850 5835 1 11 . 1 1 45 45 LYS H H 45 8.427 8.427 8.505 -0.078 25850 5836 1 11 . 1 1 46 46 GLU N N 46 118.446 118.446 119.362 -0.916 25850 5837 1 11 . 1 1 46 46 GLU HA H 46 4.092 4.092 4.302 -0.210 25850 5838 1 11 . 1 1 46 46 GLU C C 46 178.490 178.490 178.784 -0.294 25850 5839 1 11 . 1 1 46 46 GLU CA C 46 59.327 59.327 59.168 0.159 25850 5840 1 11 . 1 1 46 46 GLU CB C 46 29.764 29.764 29.571 0.193 25850 5841 1 11 . 1 1 46 46 GLU H H 46 7.867 7.867 8.422 -0.555 25850 5842 1 11 . 1 1 47 47 ALA N N 47 122.279 122.279 122.983 -0.704 25850 5843 1 11 . 1 1 47 47 ALA HA H 47 3.513 3.513 3.703 -0.190 25850 5844 1 11 . 1 1 47 47 ALA C C 47 178.065 178.065 178.954 -0.889 25850 5845 1 11 . 1 1 47 47 ALA CA C 47 55.905 55.905 54.996 0.909 25850 5846 1 11 . 1 1 47 47 ALA CB C 47 18.256 18.256 18.166 0.090 25850 5847 1 11 . 1 1 47 47 ALA H H 47 8.315 8.315 7.787 0.528 25850 5848 1 11 . 1 1 48 48 ILE N N 48 115.863 115.863 118.361 -2.498 25850 5849 1 11 . 1 1 48 48 ILE HA H 48 3.401 3.401 3.525 -0.124 25850 5850 1 11 . 1 1 48 48 ILE C C 48 176.808 176.808 178.056 -1.248 25850 5851 1 11 . 1 1 48 48 ILE CA C 48 66.282 66.282 65.575 0.707 25850 5852 1 11 . 1 1 48 48 ILE CB C 48 38.375 38.375 37.717 0.658 25850 5853 1 11 . 1 1 48 48 ILE H H 48 8.077 8.077 7.867 0.210 25850 5854 1 11 . 1 1 49 49 GLU N N 49 116.853 116.853 118.824 -1.971 25850 5855 1 11 . 1 1 49 49 GLU HA H 49 3.920 3.920 3.831 0.089 25850 5856 1 11 . 1 1 49 49 GLU C C 49 179.914 179.914 179.112 0.802 25850 5857 1 11 . 1 1 49 49 GLU CA C 49 59.535 59.535 59.664 -0.129 25850 5858 1 11 . 1 1 49 49 GLU CB C 49 28.995 28.995 29.310 -0.315 25850 5859 1 11 . 1 1 49 49 GLU H H 49 7.175 7.175 7.540 -0.365 25850 5860 1 11 . 1 1 50 50 TYR N N 50 117.578 117.578 118.982 -1.404 25850 5861 1 11 . 1 1 50 50 TYR HA H 50 3.774 3.774 4.181 -0.407 25850 5862 1 11 . 1 1 50 50 TYR C C 50 178.462 178.462 178.225 0.237 25850 5863 1 11 . 1 1 50 50 TYR CA C 50 64.368 64.368 61.327 3.041 25850 5864 1 11 . 1 1 50 50 TYR CB C 50 37.345 37.345 38.087 -0.743 25850 5865 1 11 . 1 1 50 50 TYR H H 50 7.676 7.676 7.636 0.040 25850 5866 1 11 . 1 1 51 51 PHE N N 51 119.480 119.480 118.110 1.370 25850 5867 1 11 . 1 1 51 51 PHE HA H 51 4.711 4.711 4.478 0.233 25850 5868 1 11 . 1 1 51 51 PHE C C 51 178.720 178.720 178.035 0.685 25850 5869 1 11 . 1 1 51 51 PHE CA C 51 58.958 58.958 59.921 -0.963 25850 5870 1 11 . 1 1 51 51 PHE CB C 51 37.771 37.771 37.961 -0.190 25850 5871 1 11 . 1 1 51 51 PHE H H 51 9.013 9.013 8.091 0.922 25850 5872 1 11 . 1 1 52 52 LEU N N 52 120.365 120.365 120.412 -0.047 25850 5873 1 11 . 1 1 52 52 LEU HA H 52 4.093 4.093 4.011 0.082 25850 5874 1 11 . 1 1 52 52 LEU C C 52 180.229 180.229 179.068 1.161 25850 5875 1 11 . 1 1 52 52 LEU CA C 52 58.252 58.252 58.396 -0.144 25850 5876 1 11 . 1 1 52 52 LEU CB C 52 42.160 42.160 41.423 0.737 25850 5877 1 11 . 1 1 52 52 LEU H H 52 8.906 8.906 8.315 0.591 25850 5878 1 11 . 1 1 53 53 ARG N N 53 119.294 119.294 118.926 0.368 25850 5879 1 11 . 1 1 53 53 ARG HA H 53 3.929 3.929 3.979 -0.050 25850 5880 1 11 . 1 1 53 53 ARG C C 53 179.087 179.087 178.564 0.523 25850 5881 1 11 . 1 1 53 53 ARG CA C 53 59.580 59.580 59.549 0.031 25850 5882 1 11 . 1 1 53 53 ARG CB C 53 31.418 31.418 29.943 1.475 25850 5883 1 11 . 1 1 53 53 ARG H H 53 7.846 7.846 8.059 -0.213 25850 5884 1 11 . 1 1 54 54 ALA N N 54 121.351 121.351 121.569 -0.218 25850 5885 1 11 . 1 1 54 54 ALA HA H 54 3.693 3.693 3.903 -0.210 25850 5886 1 11 . 1 1 54 54 ALA C C 54 177.631 177.631 179.070 -1.439 25850 5887 1 11 . 1 1 54 54 ALA CA C 54 55.115 55.115 55.295 -0.180 25850 5888 1 11 . 1 1 54 54 ALA CB C 54 17.612 17.612 18.327 -0.715 25850 5889 1 11 . 1 1 54 54 ALA H H 54 8.892 8.892 8.243 0.649 25850 5890 1 11 . 1 1 55 55 LYS N N 55 117.135 117.135 118.703 -1.568 25850 5891 1 11 . 1 1 55 55 LYS HA H 55 3.835 3.835 4.275 -0.440 25850 5892 1 11 . 1 1 55 55 LYS C C 55 176.970 176.970 178.536 -1.566 25850 5893 1 11 . 1 1 55 55 LYS CA C 55 60.725 60.725 59.916 0.809 25850 5894 1 11 . 1 1 55 55 LYS CB C 55 32.602 32.602 32.401 0.201 25850 5895 1 11 . 1 1 55 55 LYS H H 55 8.626 8.626 8.151 0.475 25850 5896 1 11 . 1 1 56 56 LYS N N 56 116.695 116.695 119.293 -2.598 25850 5897 1 11 . 1 1 56 56 LYS HA H 56 4.171 4.171 4.124 0.047 25850 5898 1 11 . 1 1 56 56 LYS C C 56 180.037 180.037 179.240 0.797 25850 5899 1 11 . 1 1 56 56 LYS CA C 56 59.606 59.606 59.344 0.262 25850 5900 1 11 . 1 1 56 56 LYS CB C 56 32.349 32.349 32.393 -0.044 25850 5901 1 11 . 1 1 56 56 LYS H H 56 7.652 7.652 7.722 -0.070 25850 5902 1 11 . 1 1 57 57 VAL N N 57 120.809 120.809 119.075 1.734 25850 5903 1 11 . 1 1 57 57 VAL HA H 57 3.753 3.753 3.711 0.042 25850 5904 1 11 . 1 1 57 57 VAL C C 57 178.174 178.174 177.989 0.185 25850 5905 1 11 . 1 1 57 57 VAL CA C 57 66.226 66.226 65.630 0.596 25850 5906 1 11 . 1 1 57 57 VAL CB C 57 31.424 31.424 30.819 0.605 25850 5907 1 11 . 1 1 57 57 VAL H H 57 7.583 7.583 7.513 0.070 25850 5908 1 11 . 1 1 58 58 PHE N N 58 118.864 118.864 119.707 -0.843 25850 5909 1 11 . 1 1 58 58 PHE HA H 58 4.521 4.521 4.114 0.407 25850 5910 1 11 . 1 1 58 58 PHE C C 58 179.187 179.187 178.025 1.162 25850 5911 1 11 . 1 1 58 58 PHE CA C 58 59.849 59.849 61.607 -1.758 25850 5912 1 11 . 1 1 58 58 PHE CB C 58 37.753 37.753 37.769 -0.016 25850 5913 1 11 . 1 1 58 58 PHE H H 58 8.871 8.871 7.836 1.035 25850 5914 1 11 . 1 1 59 59 ASP N N 59 119.714 119.714 119.654 0.060 25850 5915 1 11 . 1 1 59 59 ASP HA H 59 4.444 4.444 4.441 0.003 25850 5916 1 11 . 1 1 59 59 ASP C C 59 180.066 180.066 178.626 1.440 25850 5917 1 11 . 1 1 59 59 ASP CA C 59 57.201 57.201 58.021 -0.820 25850 5918 1 11 . 1 1 59 59 ASP CB C 59 39.713 39.713 40.459 -0.746 25850 5919 1 11 . 1 1 59 59 ASP H H 59 9.157 9.157 8.571 0.586 25850 5920 1 11 . 1 1 60 60 ALA N N 60 124.290 124.290 120.704 3.586 25850 5921 1 11 . 1 1 60 60 ALA HA H 60 4.087 4.087 4.139 -0.052 25850 5922 1 11 . 1 1 60 60 ALA C C 60 179.389 179.389 178.865 0.524 25850 5923 1 11 . 1 1 60 60 ALA CA C 60 54.760 54.760 54.382 0.378 25850 5924 1 11 . 1 1 60 60 ALA CB C 60 18.025 18.025 18.748 -0.724 25850 5925 1 11 . 1 1 60 60 ALA H H 60 7.742 7.742 7.358 0.384 25850 5926 1 11 . 1 1 61 61 GLU N N 61 114.493 114.493 115.387 -0.894 25850 5927 1 11 . 1 1 61 61 GLU HA H 61 4.259 4.259 4.154 0.105 25850 5928 1 11 . 1 1 61 61 GLU C C 61 175.970 175.970 175.921 0.049 25850 5929 1 11 . 1 1 61 61 GLU CA C 61 55.049 55.049 55.885 -0.836 25850 5930 1 11 . 1 1 61 61 GLU CB C 61 29.724 29.724 29.780 -0.056 25850 5931 1 11 . 1 1 61 61 GLU H H 61 7.908 7.908 7.707 0.201 25850 5932 1 11 . 1 1 62 62 HIS N N 62 115.130 115.130 112.989 2.141 25850 5933 1 11 . 1 1 62 62 HIS HA H 62 4.264 4.264 4.209 0.055 25850 5934 1 11 . 1 1 62 62 HIS C C 62 173.916 173.916 174.207 -0.291 25850 5935 1 11 . 1 1 62 62 HIS CA C 62 56.531 56.531 56.661 -0.130 25850 5936 1 11 . 1 1 62 62 HIS CB C 62 26.039 26.039 27.224 -1.185 25850 5937 1 11 . 1 1 62 62 HIS H H 62 7.830 7.830 7.549 0.281 25850 5938 1 11 . 1 1 63 63 ASP N N 63 118.507 118.507 119.949 -1.442 25850 5939 1 11 . 1 1 63 63 ASP HA H 63 4.854 4.854 4.759 0.095 25850 5940 1 11 . 1 1 63 63 ASP C C 63 176.143 176.143 176.193 -0.050 25850 5941 1 11 . 1 1 63 63 ASP CA C 63 52.127 52.127 53.297 -1.171 25850 5942 1 11 . 1 1 63 63 ASP CB C 63 40.068 40.068 40.636 -0.568 25850 5943 1 11 . 1 1 63 63 ASP H H 63 8.521 8.521 8.216 0.305 25850 5944 1 11 . 1 1 64 64 THR N N 64 119.037 119.037 120.229 -1.192 25850 5945 1 11 . 1 1 64 64 THR HA H 64 3.869 3.869 3.970 -0.101 25850 5946 1 11 . 1 1 64 64 THR C C 64 176.814 176.814 175.476 1.338 25850 5947 1 11 . 1 1 64 64 THR CA C 64 65.198 65.198 64.876 0.321 25850 5948 1 11 . 1 1 64 64 THR CB C 64 68.315 68.315 68.900 -0.585 25850 5949 1 11 . 1 1 64 64 THR H H 64 7.907 7.907 7.933 -0.026 25850 5950 1 11 . 1 1 65 65 ASP N N 65 122.892 122.892 120.228 2.664 25850 5951 1 11 . 1 1 65 65 ASP HA H 65 4.287 4.287 4.263 0.024 25850 5952 1 11 . 1 1 65 65 ASP C C 65 178.326 178.326 178.130 0.196 25850 5953 1 11 . 1 1 65 65 ASP CA C 65 57.350 57.350 57.657 -0.307 25850 5954 1 11 . 1 1 65 65 ASP CB C 65 41.121 41.121 40.193 0.928 25850 5955 1 11 . 1 1 65 65 ASP H H 65 8.375 8.375 8.309 0.066 25850 5956 1 11 . 1 1 66 66 GLY N N 66 109.334 109.334 107.306 2.028 25850 5957 1 11 . 1 1 66 66 GLY C C 66 175.861 175.861 175.067 0.794 25850 5958 1 11 . 1 1 66 66 GLY CA C 66 46.136 46.136 45.741 0.395 25850 5959 1 11 . 1 1 66 66 GLY H H 66 8.234 8.234 7.910 0.324 25850 5960 1 11 . 1 1 67 67 ALA N N 67 122.888 122.888 124.639 -1.751 25850 5961 1 11 . 1 1 67 67 ALA HA H 67 3.892 3.892 4.023 -0.131 25850 5962 1 11 . 1 1 67 67 ALA C C 67 179.384 179.384 179.618 -0.234 25850 5963 1 11 . 1 1 67 67 ALA CA C 67 55.960 55.960 54.766 1.194 25850 5964 1 11 . 1 1 67 67 ALA CB C 67 18.611 18.611 18.519 0.092 25850 5965 1 11 . 1 1 67 67 ALA H H 67 7.949 7.949 7.664 0.285 25850 5966 1 11 . 1 1 68 68 ARG N N 68 118.221 118.221 117.519 0.702 25850 5967 1 11 . 1 1 68 68 ARG HA H 68 3.993 3.993 4.045 -0.052 25850 5968 1 11 . 1 1 68 68 ARG C C 68 179.355 179.355 178.946 0.409 25850 5969 1 11 . 1 1 68 68 ARG CA C 68 59.234 59.234 59.051 0.183 25850 5970 1 11 . 1 1 68 68 ARG CB C 68 29.799 29.799 30.072 -0.273 25850 5971 1 11 . 1 1 68 68 ARG H H 68 7.917 7.917 7.886 0.031 25850 5972 1 11 . 1 1 69 69 ARG N N 69 120.551 120.551 119.469 1.082 25850 5973 1 11 . 1 1 69 69 ARG HA H 69 3.923 3.923 3.955 -0.032 25850 5974 1 11 . 1 1 69 69 ARG C C 69 179.120 179.120 178.099 1.021 25850 5975 1 11 . 1 1 69 69 ARG CA C 69 59.310 59.310 58.168 1.142 25850 5976 1 11 . 1 1 69 69 ARG CB C 69 29.189 29.189 28.917 0.272 25850 5977 1 11 . 1 1 69 69 ARG H H 69 7.749 7.749 7.854 -0.105 25850 5978 1 11 . 1 1 70 70 ALA N N 70 121.098 121.098 120.989 0.109 25850 5979 1 11 . 1 1 70 70 ALA HA H 70 4.016 4.016 4.159 -0.143 25850 5980 1 11 . 1 1 70 70 ALA C C 70 178.438 178.438 179.586 -1.148 25850 5981 1 11 . 1 1 70 70 ALA CA C 70 55.536 55.536 54.794 0.742 25850 5982 1 11 . 1 1 70 70 ALA CB C 70 17.216 17.216 18.173 -0.957 25850 5983 1 11 . 1 1 70 70 ALA H H 70 8.245 8.245 7.881 0.364 25850 5984 1 11 . 1 1 71 71 ALA N N 71 119.333 119.333 120.755 -1.422 25850 5985 1 11 . 1 1 71 71 ALA HA H 71 4.047 4.047 4.085 -0.037 25850 5986 1 11 . 1 1 71 71 ALA C C 71 180.219 180.219 179.385 0.834 25850 5987 1 11 . 1 1 71 71 ALA CA C 71 55.083 55.083 55.008 0.075 25850 5988 1 11 . 1 1 71 71 ALA CB C 71 18.198 18.198 18.227 -0.029 25850 5989 1 11 . 1 1 71 71 ALA H H 71 8.565 8.565 7.814 0.751 25850 5990 1 11 . 1 1 72 72 LYS N N 72 121.188 121.188 119.486 1.702 25850 5991 1 11 . 1 1 72 72 LYS HA H 72 4.107 4.107 4.063 0.044 25850 5992 1 11 . 1 1 72 72 LYS C C 72 179.155 179.155 178.941 0.214 25850 5993 1 11 . 1 1 72 72 LYS CA C 72 59.271 59.271 59.258 0.014 25850 5994 1 11 . 1 1 72 72 LYS CB C 72 31.786 31.786 32.485 -0.699 25850 5995 1 11 . 1 1 72 72 LYS H H 72 8.108 8.108 8.114 -0.006 25850 5996 1 11 . 1 1 73 73 SER N N 73 116.976 116.976 114.709 2.267 25850 5997 1 11 . 1 1 73 73 SER HA H 73 3.957 3.957 4.376 -0.419 25850 5998 1 11 . 1 1 73 73 SER C C 73 176.394 176.394 176.648 -0.254 25850 5999 1 11 . 1 1 73 73 SER CA C 73 62.753 62.753 60.661 2.092 25850 6000 1 11 . 1 1 73 73 SER CB C 73 60.718 60.718 62.409 -1.691 25850 6001 1 11 . 1 1 73 73 SER H H 73 8.057 8.057 7.823 0.234 25850 6002 1 11 . 1 1 74 74 LEU N N 74 123.741 123.741 122.283 1.458 25850 6003 1 11 . 1 1 74 74 LEU HA H 74 3.831 3.831 3.976 -0.145 25850 6004 1 11 . 1 1 74 74 LEU C C 74 176.704 176.704 178.437 -1.733 25850 6005 1 11 . 1 1 74 74 LEU CA C 74 58.545 58.545 58.308 0.237 25850 6006 1 11 . 1 1 74 74 LEU CB C 74 41.862 41.862 41.841 0.021 25850 6007 1 11 . 1 1 74 74 LEU H H 74 8.341 8.341 8.106 0.235 25850 6008 1 11 . 1 1 75 75 SER N N 75 113.508 113.508 114.664 -1.156 25850 6009 1 11 . 1 1 75 75 SER HA H 75 4.277 4.277 4.342 -0.065 25850 6010 1 11 . 1 1 75 75 SER C C 75 177.668 177.668 176.935 0.733 25850 6011 1 11 . 1 1 75 75 SER CA C 75 61.926 61.926 61.671 0.255 25850 6012 1 11 . 1 1 75 75 SER CB C 75 62.702 62.702 62.486 0.216 25850 6013 1 11 . 1 1 75 75 SER H H 75 8.055 8.055 8.250 -0.195 25850 6014 1 11 . 1 1 76 76 GLU N N 76 119.999 119.999 121.550 -1.551 25850 6015 1 11 . 1 1 76 76 GLU HA H 76 4.041 4.041 4.504 -0.463 25850 6016 1 11 . 1 1 76 76 GLU C C 76 178.836 178.836 178.614 0.222 25850 6017 1 11 . 1 1 76 76 GLU CA C 76 58.928 58.928 58.419 0.509 25850 6018 1 11 . 1 1 76 76 GLU CB C 76 29.684 29.684 29.153 0.531 25850 6019 1 11 . 1 1 76 76 GLU H H 76 7.874 7.874 7.877 -0.003 25850 6020 1 11 . 1 1 77 77 ALA N N 77 123.551 123.551 123.197 0.354 25850 6021 1 11 . 1 1 77 77 ALA HA H 77 4.242 4.242 4.112 0.130 25850 6022 1 11 . 1 1 77 77 ALA C C 77 180.005 180.005 179.711 0.294 25850 6023 1 11 . 1 1 77 77 ALA CA C 77 55.031 55.031 54.592 0.439 25850 6024 1 11 . 1 1 77 77 ALA CB C 77 18.237 18.237 18.402 -0.165 25850 6025 1 11 . 1 1 77 77 ALA H H 77 8.043 8.043 7.505 0.538 25850 6026 1 11 . 1 1 78 78 TYR N N 78 116.371 116.371 117.814 -1.443 25850 6027 1 11 . 1 1 78 78 TYR HA H 78 4.418 4.418 4.143 0.275 25850 6028 1 11 . 1 1 78 78 TYR C C 78 178.901 178.901 178.741 0.160 25850 6029 1 11 . 1 1 78 78 TYR CA C 78 60.302 60.302 61.835 -1.533 25850 6030 1 11 . 1 1 78 78 TYR CB C 78 37.416 37.416 37.678 -0.262 25850 6031 1 11 . 1 1 78 78 TYR H H 78 8.699 8.699 8.278 0.421 25850 6032 1 11 . 1 1 79 79 GLN N N 79 116.649 116.649 118.086 -1.437 25850 6033 1 11 . 1 1 79 79 GLN HA H 79 4.212 4.212 3.951 0.261 25850 6034 1 11 . 1 1 79 79 GLN C C 79 177.778 177.778 178.072 -0.294 25850 6035 1 11 . 1 1 79 79 GLN CA C 79 57.922 57.922 58.954 -1.032 25850 6036 1 11 . 1 1 79 79 GLN CB C 79 28.659 28.659 28.496 0.163 25850 6037 1 11 . 1 1 79 79 GLN H H 79 7.667 7.667 7.749 -0.082 25850 6038 1 11 . 1 1 80 80 LYS N N 80 118.855 118.855 118.332 0.523 25850 6039 1 11 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.147 0.146 25850 6040 1 11 . 1 1 80 80 LYS C C 80 178.038 178.038 179.204 -1.166 25850 6041 1 11 . 1 1 80 80 LYS CA C 80 57.474 57.474 58.910 -1.435 25850 6042 1 11 . 1 1 80 80 LYS CB C 80 32.816 32.816 32.324 0.492 25850 6043 1 11 . 1 1 80 80 LYS H H 80 7.766 7.766 7.503 0.263 25850 6044 1 11 . 1 1 81 81 VAL N N 81 117.863 117.863 118.081 -0.218 25850 6045 1 11 . 1 1 81 81 VAL HA H 81 4.076 4.076 3.956 0.120 25850 6046 1 11 . 1 1 81 81 VAL C C 81 176.805 176.805 176.203 0.602 25850 6047 1 11 . 1 1 81 81 VAL CA C 81 63.409 63.409 63.846 -0.437 25850 6048 1 11 . 1 1 81 81 VAL CB C 81 32.423 32.423 32.233 0.190 25850 6049 1 11 . 1 1 81 81 VAL H H 81 7.821 7.821 7.525 0.296 25850 6050 1 11 . 1 1 82 82 GLU N N 82 122.552 122.552 120.730 1.822 25850 6051 1 11 . 1 1 82 82 GLU HA H 82 4.277 4.277 4.283 -0.006 25850 6052 1 11 . 1 1 82 82 GLU C C 82 177.559 177.559 177.890 -0.331 25850 6053 1 11 . 1 1 82 82 GLU CA C 82 57.300 57.300 56.987 0.313 25850 6054 1 11 . 1 1 82 82 GLU CB C 82 29.927 29.927 29.277 0.650 25850 6055 1 11 . 1 1 82 82 GLU H H 82 8.329 8.329 7.634 0.695 25850 6056 1 11 . 1 1 83 83 GLY N N 83 109.040 109.040 112.405 -3.365 25850 6057 1 11 . 1 1 83 83 GLY C C 83 174.590 174.590 175.799 -1.209 25850 6058 1 11 . 1 1 83 83 GLY CA C 83 45.530 45.530 46.248 -0.719 25850 6059 1 11 . 1 1 83 83 GLY H H 83 8.309 8.309 8.685 -0.376 25850 6060 1 11 . 1 1 84 84 SER N N 84 115.258 115.258 116.613 -1.355 25850 6061 1 11 . 1 1 84 84 SER HA H 84 4.495 4.495 4.365 0.130 25850 6062 1 11 . 1 1 84 84 SER C C 84 175.217 175.217 174.944 0.273 25850 6063 1 11 . 1 1 84 84 SER CA C 84 58.580 58.580 58.679 -0.099 25850 6064 1 11 . 1 1 84 84 SER CB C 84 63.827 63.827 63.524 0.303 25850 6065 1 11 . 1 1 84 84 SER H H 84 8.180 8.180 7.717 0.463 25850 6066 1 11 . 1 1 85 85 GLY N N 85 110.681 110.681 111.624 -0.943 25850 6067 1 11 . 1 1 85 85 GLY C C 85 174.063 174.063 173.266 0.797 25850 6068 1 11 . 1 1 85 85 GLY CA C 85 45.395 45.395 44.570 0.825 25850 6069 1 11 . 1 1 85 85 GLY H H 85 8.472 8.472 7.788 0.684 25850 6070 1 11 . 1 1 86 86 ASP N N 86 120.537 120.537 121.806 -1.269 25850 6071 1 11 . 1 1 86 86 ASP HA H 86 4.597 4.597 4.516 0.081 25850 6072 1 11 . 1 1 86 86 ASP C C 86 176.761 176.761 175.950 0.811 25850 6073 1 11 . 1 1 86 86 ASP CA C 86 54.451 54.451 54.541 -0.090 25850 6074 1 11 . 1 1 86 86 ASP CB C 86 41.069 41.069 41.792 -0.723 25850 6075 1 11 . 1 1 86 86 ASP H H 86 8.272 8.272 8.465 -0.193 25850 6076 1 11 . 1 1 87 87 LYS N N 87 121.608 121.608 124.617 -3.009 25850 6077 1 11 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.239 0.007 25850 6078 1 11 . 1 1 87 87 LYS C C 87 177.342 177.342 177.212 0.130 25850 6079 1 11 . 1 1 87 87 LYS CA C 87 56.545 56.545 57.182 -0.637 25850 6080 1 11 . 1 1 87 87 LYS CB C 87 32.302 32.302 32.620 -0.318 25850 6081 1 11 . 1 1 87 87 LYS H H 87 8.344 8.344 8.664 -0.320 25850 6082 1 11 . 1 1 88 88 GLY N N 88 108.711 108.711 111.701 -2.990 25850 6083 1 11 . 1 1 88 88 GLY C C 88 174.216 174.216 173.896 0.320 25850 6084 1 11 . 1 1 88 88 GLY CA C 88 45.339 45.339 44.887 0.452 25850 6085 1 11 . 1 1 88 88 GLY H H 88 8.449 8.449 8.546 -0.097 25850 6086 1 11 . 1 1 89 89 LYS N N 89 120.508 120.508 120.348 0.160 25850 6087 1 11 . 1 1 89 89 LYS HA H 89 4.266 4.266 4.273 -0.007 25850 6088 1 11 . 1 1 89 89 LYS C C 89 176.464 176.464 176.671 -0.207 25850 6089 1 11 . 1 1 89 89 LYS CA C 89 56.214 56.214 55.998 0.215 25850 6090 1 11 . 1 1 89 89 LYS CB C 89 32.824 32.824 32.233 0.591 25850 6091 1 11 . 1 1 89 89 LYS H H 89 7.958 7.958 8.014 -0.056 25850 6092 1 11 . 1 1 90 90 ILE N N 90 121.127 121.127 126.453 -5.326 25850 6093 1 11 . 1 1 90 90 ILE HA H 90 4.091 4.091 4.234 -0.143 25850 6094 1 11 . 1 1 90 90 ILE C C 90 175.896 175.896 175.633 0.263 25850 6095 1 11 . 1 1 90 90 ILE CA C 90 61.022 61.022 60.913 0.109 25850 6096 1 11 . 1 1 90 90 ILE CB C 90 38.488 38.488 38.408 0.080 25850 6097 1 11 . 1 1 90 90 ILE H H 90 8.005 8.005 8.376 -0.371 25850 6098 1 11 . 1 1 91 91 PHE N N 91 123.843 123.843 129.247 -5.404 25850 6099 1 11 . 1 1 91 91 PHE HA H 91 4.615 4.615 4.882 -0.267 25850 6100 1 11 . 1 1 91 91 PHE C C 91 175.327 175.327 174.168 1.159 25850 6101 1 11 . 1 1 91 91 PHE CA C 91 57.565 57.565 57.100 0.465 25850 6102 1 11 . 1 1 91 91 PHE CB C 91 39.457 39.457 40.858 -1.401 25850 6103 1 11 . 1 1 91 91 PHE H H 91 8.283 8.283 8.872 -0.589 25850 6104 1 11 . 1 1 92 92 GLN N N 92 122.349 122.349 126.973 -4.624 25850 6105 1 11 . 1 1 92 92 GLN HA H 92 4.296 4.296 4.369 -0.073 25850 6106 1 11 . 1 1 92 92 GLN C C 92 175.338 175.338 174.878 0.460 25850 6107 1 11 . 1 1 92 92 GLN CA C 92 55.492 55.492 54.613 0.879 25850 6108 1 11 . 1 1 92 92 GLN CB C 92 29.708 29.708 30.166 -0.458 25850 6109 1 11 . 1 1 92 92 GLN H H 92 8.212 8.212 8.289 -0.077 25850 6110 1 11 . 1 1 93 93 LYS N N 93 123.137 123.137 126.201 -3.064 25850 6111 1 11 . 1 1 93 93 LYS HA H 93 4.250 4.250 4.252 -0.002 25850 6112 1 11 . 1 1 93 93 LYS C C 93 176.492 176.492 176.386 0.106 25850 6113 1 11 . 1 1 93 93 LYS CA C 93 56.272 56.272 55.669 0.603 25850 6114 1 11 . 1 1 93 93 LYS CB C 93 33.055 33.055 32.878 0.177 25850 6115 1 11 . 1 1 93 93 LYS H H 93 8.364 8.364 8.369 -0.005 25850 6116 1 11 . 1 1 94 94 GLU N N 94 122.671 122.671 124.933 -2.262 25850 6117 1 11 . 1 1 94 94 GLU HA H 94 4.246 4.246 4.485 -0.239 25850 6118 1 11 . 1 1 94 94 GLU C C 94 177.008 177.008 175.773 1.235 25850 6119 1 11 . 1 1 94 94 GLU CA C 94 56.848 56.848 55.850 0.998 25850 6120 1 11 . 1 1 94 94 GLU CB C 94 30.054 30.054 31.959 -1.905 25850 6121 1 11 . 1 1 94 94 GLU H H 94 8.571 8.571 8.427 0.144 25850 6122 1 11 . 1 1 95 95 GLY N N 95 110.337 110.337 110.396 -0.059 25850 6123 1 11 . 1 1 95 95 GLY C C 95 174.070 174.070 172.812 1.258 25850 6124 1 11 . 1 1 95 95 GLY CA C 95 45.191 45.191 45.452 -0.261 25850 6125 1 11 . 1 1 95 95 GLY H H 95 8.490 8.490 8.454 0.036 25850 6126 1 11 . 1 1 96 96 GLU N N 96 120.183 120.183 121.589 -1.406 25850 6127 1 11 . 1 1 96 96 GLU HA H 96 4.339 4.339 4.719 -0.380 25850 6128 1 11 . 1 1 96 96 GLU C C 96 176.463 176.463 175.635 0.828 25850 6129 1 11 . 1 1 96 96 GLU CA C 96 56.204 56.204 54.995 1.209 25850 6130 1 11 . 1 1 96 96 GLU CB C 96 30.433 30.433 30.185 0.248 25850 6131 1 11 . 1 1 96 96 GLU H H 96 8.142 8.142 8.461 -0.319 25850 6132 1 11 . 1 1 97 97 SER N N 97 116.979 116.979 118.725 -1.746 25850 6133 1 11 . 1 1 97 97 SER HA H 97 4.472 4.472 4.834 -0.362 25850 6134 1 11 . 1 1 97 97 SER C C 97 174.162 174.162 174.099 0.063 25850 6135 1 11 . 1 1 97 97 SER CA C 97 58.070 58.070 57.888 0.182 25850 6136 1 11 . 1 1 97 97 SER CB C 97 63.710 63.710 64.243 -0.534 25850 6137 1 11 . 1 1 97 97 SER H H 97 8.381 8.381 8.819 -0.438 25850 6138 1 11 . 1 1 98 98 ILE N N 98 122.626 122.626 118.460 4.166 25850 6139 1 11 . 1 1 98 98 ILE HA H 98 4.201 4.201 3.914 0.287 25850 6140 1 11 . 1 1 98 98 ILE C C 98 175.921 175.921 174.663 1.258 25850 6141 1 11 . 1 1 98 98 ILE CA C 98 60.947 60.947 62.326 -1.379 25850 6142 1 11 . 1 1 98 98 ILE CB C 98 38.616 38.616 35.513 3.103 25850 6143 1 11 . 1 1 98 98 ILE H H 98 8.216 8.216 8.734 -0.518 25850 6144 1 11 . 1 1 99 99 LEU N N 99 126.765 126.765 118.972 7.793 25850 6145 1 11 . 1 1 99 99 LEU HA H 99 4.399 4.399 4.759 -0.360 25850 6146 1 11 . 1 1 99 99 LEU C C 99 176.093 176.093 175.822 0.271 25850 6147 1 11 . 1 1 99 99 LEU CA C 99 54.853 54.853 54.581 0.272 25850 6148 1 11 . 1 1 99 99 LEU CB C 99 42.135 42.135 42.805 -0.670 25850 6149 1 11 . 1 1 99 99 LEU H H 99 8.326 8.326 7.787 0.539 25850 6150 1 12 . 1 1 2 2 GLY C C 2 173.891 173.891 172.783 1.108 25850 6151 1 12 . 1 1 2 2 GLY CA C 2 44.831 44.831 44.950 -0.119 25850 6152 1 12 . 1 1 3 3 SER N N 3 117.545 117.545 118.343 -0.798 25850 6153 1 12 . 1 1 3 3 SER HA H 3 4.799 4.799 4.742 0.057 25850 6154 1 12 . 1 1 3 3 SER C C 3 173.162 173.162 174.005 -0.843 25850 6155 1 12 . 1 1 3 3 SER CA C 3 56.530 56.530 56.910 -0.381 25850 6156 1 12 . 1 1 3 3 SER CB C 3 63.002 63.002 64.316 -1.314 25850 6157 1 12 . 1 1 3 3 SER H H 3 8.428 8.428 8.191 0.237 25850 6158 1 12 . 1 1 4 4 PRO HA H 4 4.644 4.644 4.424 0.220 25850 6159 1 12 . 1 1 4 4 PRO C C 4 178.093 178.093 178.419 -0.326 25850 6160 1 12 . 1 1 4 4 PRO CA C 4 65.378 65.378 65.432 -0.054 25850 6161 1 12 . 1 1 4 4 PRO CB C 4 31.965 31.965 32.139 -0.174 25850 6162 1 12 . 1 1 5 5 ASP N N 5 115.270 115.270 114.935 0.335 25850 6163 1 12 . 1 1 5 5 ASP HA H 5 4.353 4.353 4.393 -0.040 25850 6164 1 12 . 1 1 5 5 ASP C C 5 178.915 178.915 177.827 1.088 25850 6165 1 12 . 1 1 5 5 ASP CA C 5 56.796 56.796 57.050 -0.253 25850 6166 1 12 . 1 1 5 5 ASP CB C 5 40.690 40.690 40.674 0.016 25850 6167 1 12 . 1 1 5 5 ASP H H 5 8.233 8.233 8.842 -0.609 25850 6168 1 12 . 1 1 6 6 GLU N N 6 121.390 121.390 118.171 3.219 25850 6169 1 12 . 1 1 6 6 GLU HA H 6 4.027 4.027 4.080 -0.053 25850 6170 1 12 . 1 1 6 6 GLU C C 6 178.836 178.836 178.201 0.635 25850 6171 1 12 . 1 1 6 6 GLU CA C 6 58.594 58.594 58.462 0.132 25850 6172 1 12 . 1 1 6 6 GLU CB C 6 29.641 29.641 28.779 0.862 25850 6173 1 12 . 1 1 6 6 GLU H H 6 7.770 7.770 7.603 0.167 25850 6174 1 12 . 1 1 7 7 ASN N N 7 119.966 119.966 119.336 0.630 25850 6175 1 12 . 1 1 7 7 ASN HA H 7 4.155 4.155 4.300 -0.145 25850 6176 1 12 . 1 1 7 7 ASN C C 7 176.723 176.723 177.348 -0.625 25850 6177 1 12 . 1 1 7 7 ASN CA C 7 55.007 55.007 55.972 -0.965 25850 6178 1 12 . 1 1 7 7 ASN CB C 7 36.627 36.627 38.502 -1.875 25850 6179 1 12 . 1 1 7 7 ASN H H 7 8.378 8.378 7.512 0.866 25850 6180 1 12 . 1 1 8 8 ILE N N 8 119.915 119.915 120.924 -1.009 25850 6181 1 12 . 1 1 8 8 ILE HA H 8 3.608 3.608 3.751 -0.143 25850 6182 1 12 . 1 1 8 8 ILE CA C 8 66.495 66.495 65.552 0.943 25850 6183 1 12 . 1 1 8 8 ILE CB C 8 37.558 37.558 37.649 -0.091 25850 6184 1 12 . 1 1 8 8 ILE H H 8 8.626 8.626 8.109 0.517 25850 6185 1 12 . 1 1 9 9 ALA N N 9 121.268 121.268 121.220 0.048 25850 6186 1 12 . 1 1 9 9 ALA HA H 9 4.235 4.235 4.251 -0.016 25850 6187 1 12 . 1 1 9 9 ALA C C 9 180.624 180.624 179.655 0.969 25850 6188 1 12 . 1 1 9 9 ALA CA C 9 54.922 54.922 54.805 0.117 25850 6189 1 12 . 1 1 9 9 ALA CB C 9 17.710 17.710 18.281 -0.571 25850 6190 1 12 . 1 1 9 9 ALA H H 9 7.597 7.597 7.568 0.029 25850 6191 1 12 . 1 1 10 10 LYS N N 10 118.798 118.798 118.865 -0.067 25850 6192 1 12 . 1 1 10 10 LYS HA H 10 4.011 4.011 4.025 -0.014 25850 6193 1 12 . 1 1 10 10 LYS C C 10 180.034 180.034 179.070 0.964 25850 6194 1 12 . 1 1 10 10 LYS CA C 10 59.264 59.264 58.963 0.301 25850 6195 1 12 . 1 1 10 10 LYS CB C 10 31.744 31.744 32.166 -0.422 25850 6196 1 12 . 1 1 10 10 LYS H H 10 7.569 7.569 7.226 0.343 25850 6197 1 12 . 1 1 11 11 PHE N N 11 121.394 121.394 118.907 2.487 25850 6198 1 12 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.314 0.414 25850 6199 1 12 . 1 1 11 11 PHE C C 11 178.445 178.445 178.370 0.075 25850 6200 1 12 . 1 1 11 11 PHE CA C 11 59.549 59.549 59.519 0.030 25850 6201 1 12 . 1 1 11 11 PHE CB C 11 39.001 39.001 38.087 0.915 25850 6202 1 12 . 1 1 11 11 PHE H H 11 8.347 8.347 7.870 0.477 25850 6203 1 12 . 1 1 12 12 GLU N N 12 121.864 121.864 120.020 1.844 25850 6204 1 12 . 1 1 12 12 GLU HA H 12 4.127 4.127 4.112 0.015 25850 6205 1 12 . 1 1 12 12 GLU C C 12 179.600 179.600 178.671 0.929 25850 6206 1 12 . 1 1 12 12 GLU CA C 12 59.803 59.803 59.664 0.139 25850 6207 1 12 . 1 1 12 12 GLU CB C 12 29.488 29.488 29.310 0.178 25850 6208 1 12 . 1 1 12 12 GLU H H 12 9.184 9.184 8.559 0.625 25850 6209 1 12 . 1 1 13 13 LYS N N 13 120.472 120.472 120.322 0.150 25850 6210 1 12 . 1 1 13 13 LYS HA H 13 4.127 4.127 4.119 0.008 25850 6211 1 12 . 1 1 13 13 LYS C C 13 179.120 179.120 178.658 0.462 25850 6212 1 12 . 1 1 13 13 LYS CA C 13 59.308 59.308 58.760 0.548 25850 6213 1 12 . 1 1 13 13 LYS CB C 13 32.147 32.147 31.985 0.162 25850 6214 1 12 . 1 1 13 13 LYS H H 13 7.800 7.800 7.636 0.164 25850 6215 1 12 . 1 1 14 14 ALA N N 14 122.753 122.753 121.179 1.574 25850 6216 1 12 . 1 1 14 14 ALA HA H 14 4.205 4.205 4.191 0.014 25850 6217 1 12 . 1 1 14 14 ALA C C 14 180.640 180.640 179.657 0.983 25850 6218 1 12 . 1 1 14 14 ALA CA C 14 54.756 54.756 54.797 -0.041 25850 6219 1 12 . 1 1 14 14 ALA CB C 14 17.913 17.913 18.200 -0.287 25850 6220 1 12 . 1 1 14 14 ALA H H 14 8.001 8.001 7.983 0.018 25850 6221 1 12 . 1 1 15 15 TYR HA H 15 3.850 3.850 4.124 -0.274 25850 6222 1 12 . 1 1 15 15 TYR C C 15 175.898 175.898 177.613 -1.715 25850 6223 1 12 . 1 1 15 15 TYR CA C 15 62.008 62.008 61.490 0.518 25850 6224 1 12 . 1 1 15 15 TYR CB C 15 37.756 37.756 38.433 -0.677 25850 6225 1 12 . 1 1 15 15 TYR H H 15 8.906 8.906 7.914 0.992 25850 6226 1 12 . 1 1 16 16 LYS N N 16 119.082 119.082 118.344 0.738 25850 6227 1 12 . 1 1 16 16 LYS HA H 16 3.985 3.985 3.669 0.316 25850 6228 1 12 . 1 1 16 16 LYS C C 16 179.068 179.068 178.814 0.254 25850 6229 1 12 . 1 1 16 16 LYS CA C 16 58.622 58.622 59.943 -1.321 25850 6230 1 12 . 1 1 16 16 LYS CB C 16 32.131 32.131 32.254 -0.123 25850 6231 1 12 . 1 1 16 16 LYS H H 16 8.059 8.059 8.439 -0.380 25850 6232 1 12 . 1 1 17 17 LYS N N 17 119.708 119.708 119.432 0.276 25850 6233 1 12 . 1 1 17 17 LYS HA H 17 4.142 4.142 4.032 0.110 25850 6234 1 12 . 1 1 17 17 LYS CA C 17 57.951 57.951 58.434 -0.483 25850 6235 1 12 . 1 1 17 17 LYS CB C 17 31.802 31.802 31.968 -0.166 25850 6236 1 12 . 1 1 17 17 LYS H H 17 7.900 7.900 7.859 0.041 25850 6237 1 12 . 1 1 18 18 ALA N N 18 120.860 120.860 121.214 -0.354 25850 6238 1 12 . 1 1 18 18 ALA HA H 18 4.329 4.329 4.050 0.279 25850 6239 1 12 . 1 1 18 18 ALA C C 18 179.572 179.572 179.481 0.091 25850 6240 1 12 . 1 1 18 18 ALA CA C 18 54.110 54.110 55.101 -0.991 25850 6241 1 12 . 1 1 18 18 ALA CB C 18 18.782 18.782 18.140 0.642 25850 6242 1 12 . 1 1 18 18 ALA H H 18 7.854 7.854 7.732 0.122 25850 6243 1 12 . 1 1 19 19 GLU N N 19 120.904 120.904 119.082 1.822 25850 6244 1 12 . 1 1 19 19 GLU HA H 19 4.240 4.240 3.960 0.280 25850 6245 1 12 . 1 1 19 19 GLU C C 19 180.268 180.268 179.570 0.698 25850 6246 1 12 . 1 1 19 19 GLU CA C 19 59.147 59.147 58.713 0.434 25850 6247 1 12 . 1 1 19 19 GLU CB C 19 29.889 29.889 29.456 0.433 25850 6248 1 12 . 1 1 19 19 GLU H H 19 8.690 8.690 7.910 0.780 25850 6249 1 12 . 1 1 20 20 GLU N N 20 120.868 120.868 120.065 0.803 25850 6250 1 12 . 1 1 20 20 GLU HA H 20 4.024 4.024 4.066 -0.042 25850 6251 1 12 . 1 1 20 20 GLU C C 20 177.975 177.975 178.272 -0.297 25850 6252 1 12 . 1 1 20 20 GLU CA C 20 58.935 58.935 58.816 0.119 25850 6253 1 12 . 1 1 20 20 GLU CB C 20 29.549 29.549 29.445 0.104 25850 6254 1 12 . 1 1 20 20 GLU H H 20 7.898 7.898 7.883 0.015 25850 6255 1 12 . 1 1 21 21 LEU N N 21 116.701 116.701 116.507 0.194 25850 6256 1 12 . 1 1 21 21 LEU HA H 21 4.351 4.351 4.440 -0.089 25850 6257 1 12 . 1 1 21 21 LEU C C 21 176.199 176.199 176.004 0.195 25850 6258 1 12 . 1 1 21 21 LEU CA C 21 54.158 54.158 54.240 -0.083 25850 6259 1 12 . 1 1 21 21 LEU CB C 21 41.776 41.776 41.916 -0.140 25850 6260 1 12 . 1 1 21 21 LEU H H 21 7.393 7.393 7.367 0.026 25850 6261 1 12 . 1 1 22 22 ASN N N 22 118.557 118.557 116.473 2.084 25850 6262 1 12 . 1 1 22 22 ASN HA H 22 4.278 4.278 4.316 -0.038 25850 6263 1 12 . 1 1 22 22 ASN C C 22 174.436 174.436 174.813 -0.377 25850 6264 1 12 . 1 1 22 22 ASN CA C 22 54.104 54.104 54.056 0.048 25850 6265 1 12 . 1 1 22 22 ASN CB C 22 37.364 37.364 37.596 -0.232 25850 6266 1 12 . 1 1 22 22 ASN H H 22 7.994 7.994 7.596 0.398 25850 6267 1 12 . 1 1 23 23 GLN N N 23 118.344 118.344 118.069 0.275 25850 6268 1 12 . 1 1 23 23 GLN HA H 23 4.557 4.557 4.573 -0.016 25850 6269 1 12 . 1 1 23 23 GLN C C 23 176.685 176.685 176.188 0.497 25850 6270 1 12 . 1 1 23 23 GLN CA C 23 53.983 53.983 54.348 -0.365 25850 6271 1 12 . 1 1 23 23 GLN CB C 23 27.770 27.770 26.631 1.139 25850 6272 1 12 . 1 1 23 23 GLN H H 23 8.378 8.378 8.183 0.195 25850 6273 1 12 . 1 1 24 24 GLY N N 24 113.071 113.071 111.472 1.599 25850 6274 1 12 . 1 1 24 24 GLY C C 24 175.286 175.286 175.331 -0.045 25850 6275 1 12 . 1 1 24 24 GLY CA C 24 47.823 47.823 47.393 0.430 25850 6276 1 12 . 1 1 24 24 GLY H H 24 8.468 8.468 8.208 0.260 25850 6277 1 12 . 1 1 25 25 GLU N N 25 120.717 120.717 121.762 -1.045 25850 6278 1 12 . 1 1 25 25 GLU HA H 25 4.124 4.124 3.950 0.174 25850 6279 1 12 . 1 1 25 25 GLU C C 25 176.495 176.495 178.679 -2.184 25850 6280 1 12 . 1 1 25 25 GLU CA C 25 59.621 59.621 59.053 0.568 25850 6281 1 12 . 1 1 25 25 GLU CB C 25 28.636 28.636 28.957 -0.322 25850 6282 1 12 . 1 1 25 25 GLU H H 25 9.067 9.067 8.056 1.011 25850 6283 1 12 . 1 1 26 26 LEU HA H 26 4.222 4.222 4.072 0.150 25850 6284 1 12 . 1 1 26 26 LEU C C 26 180.590 180.590 179.036 1.554 25850 6285 1 12 . 1 1 26 26 LEU CA C 26 56.882 56.882 57.527 -0.645 25850 6286 1 12 . 1 1 26 26 LEU CB C 26 41.231 41.231 41.915 -0.684 25850 6287 1 12 . 1 1 26 26 LEU H H 26 7.165 7.165 7.377 -0.212 25850 6288 1 12 . 1 1 27 27 MET N N 27 121.053 121.053 118.218 2.835 25850 6289 1 12 . 1 1 27 27 MET HA H 27 3.932 3.932 4.166 -0.234 25850 6290 1 12 . 1 1 27 27 MET CA C 27 59.980 59.980 59.950 0.030 25850 6291 1 12 . 1 1 27 27 MET CB C 27 34.537 34.537 32.393 2.144 25850 6292 1 12 . 1 1 27 27 MET H H 27 8.203 8.203 8.476 -0.273 25850 6293 1 12 . 1 1 28 28 GLY N N 28 106.038 106.038 106.536 -0.498 25850 6294 1 12 . 1 1 28 28 GLY C C 28 174.900 174.900 175.550 -0.650 25850 6295 1 12 . 1 1 28 28 GLY CA C 28 47.672 47.672 46.409 1.263 25850 6296 1 12 . 1 1 28 28 GLY H H 28 8.527 8.527 8.418 0.109 25850 6297 1 12 . 1 1 29 29 ARG N N 29 120.201 120.201 121.862 -1.661 25850 6298 1 12 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.222 -0.027 25850 6299 1 12 . 1 1 29 29 ARG C C 29 178.065 178.065 178.555 -0.490 25850 6300 1 12 . 1 1 29 29 ARG CA C 29 59.974 59.974 59.392 0.581 25850 6301 1 12 . 1 1 29 29 ARG CB C 29 30.416 30.416 30.136 0.280 25850 6302 1 12 . 1 1 29 29 ARG H H 29 8.224 8.224 7.864 0.360 25850 6303 1 12 . 1 1 30 30 ALA N N 30 121.394 121.394 122.935 -1.541 25850 6304 1 12 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.090 0.107 25850 6305 1 12 . 1 1 30 30 ALA C C 30 179.433 179.433 179.663 -0.230 25850 6306 1 12 . 1 1 30 30 ALA CA C 30 55.838 55.838 55.124 0.714 25850 6307 1 12 . 1 1 30 30 ALA CB C 30 18.269 18.269 18.294 -0.025 25850 6308 1 12 . 1 1 30 30 ALA H H 30 7.876 7.876 8.041 -0.165 25850 6309 1 12 . 1 1 31 31 LEU N N 31 116.122 116.122 118.579 -2.457 25850 6310 1 12 . 1 1 31 31 LEU HA H 31 4.003 4.003 3.834 0.169 25850 6311 1 12 . 1 1 31 31 LEU C C 31 178.416 178.416 178.954 -0.538 25850 6312 1 12 . 1 1 31 31 LEU CA C 31 57.921 57.921 57.708 0.214 25850 6313 1 12 . 1 1 31 31 LEU CB C 31 42.463 42.463 41.714 0.749 25850 6314 1 12 . 1 1 31 31 LEU H H 31 8.084 8.084 7.885 0.199 25850 6315 1 12 . 1 1 32 32 TYR N N 32 119.225 119.225 120.337 -1.112 25850 6316 1 12 . 1 1 32 32 TYR HA H 32 4.063 4.063 4.322 -0.259 25850 6317 1 12 . 1 1 32 32 TYR C C 32 176.310 176.310 177.648 -1.338 25850 6318 1 12 . 1 1 32 32 TYR CA C 32 61.992 61.992 62.053 -0.061 25850 6319 1 12 . 1 1 32 32 TYR CB C 32 38.659 38.659 38.712 -0.053 25850 6320 1 12 . 1 1 32 32 TYR H H 32 8.562 8.562 8.388 0.174 25850 6321 1 12 . 1 1 33 33 ASN N N 33 116.880 116.880 117.623 -0.743 25850 6322 1 12 . 1 1 33 33 ASN HA H 33 4.068 4.068 4.272 -0.204 25850 6323 1 12 . 1 1 33 33 ASN C C 33 178.353 178.353 177.661 0.692 25850 6324 1 12 . 1 1 33 33 ASN CA C 33 55.858 55.858 55.918 -0.060 25850 6325 1 12 . 1 1 33 33 ASN CB C 33 35.968 35.968 37.804 -1.836 25850 6326 1 12 . 1 1 33 33 ASN H H 33 8.213 8.213 8.117 0.096 25850 6327 1 12 . 1 1 34 34 ILE N N 34 121.401 121.401 120.140 1.261 25850 6328 1 12 . 1 1 34 34 ILE HA H 34 3.300 3.300 3.557 -0.257 25850 6329 1 12 . 1 1 34 34 ILE C C 34 177.867 177.867 177.600 0.267 25850 6330 1 12 . 1 1 34 34 ILE CA C 34 66.528 66.528 65.334 1.194 25850 6331 1 12 . 1 1 34 34 ILE CB C 34 37.839 37.839 37.062 0.777 25850 6332 1 12 . 1 1 34 34 ILE H H 34 8.087 8.087 8.184 -0.097 25850 6333 1 12 . 1 1 35 35 GLY N N 35 107.275 107.275 108.047 -0.772 25850 6334 1 12 . 1 1 35 35 GLY C C 35 175.048 175.048 175.671 -0.623 25850 6335 1 12 . 1 1 35 35 GLY CA C 35 48.547 48.547 46.754 1.793 25850 6336 1 12 . 1 1 35 35 GLY H H 35 7.922 7.922 7.773 0.149 25850 6337 1 12 . 1 1 36 36 LEU N N 36 120.414 120.414 121.614 -1.200 25850 6338 1 12 . 1 1 36 36 LEU HA H 36 4.048 4.048 3.978 0.070 25850 6339 1 12 . 1 1 36 36 LEU C C 36 180.804 180.804 179.165 1.639 25850 6340 1 12 . 1 1 36 36 LEU CA C 36 58.063 58.063 57.568 0.495 25850 6341 1 12 . 1 1 36 36 LEU CB C 36 41.701 41.701 41.508 0.193 25850 6342 1 12 . 1 1 36 36 LEU H H 36 8.177 8.177 7.647 0.530 25850 6343 1 12 . 1 1 37 37 GLU N N 37 120.083 120.083 119.174 0.909 25850 6344 1 12 . 1 1 37 37 GLU HA H 37 4.075 4.075 4.034 0.041 25850 6345 1 12 . 1 1 37 37 GLU C C 37 179.517 179.517 179.293 0.224 25850 6346 1 12 . 1 1 37 37 GLU CA C 37 58.603 58.603 59.203 -0.600 25850 6347 1 12 . 1 1 37 37 GLU CB C 37 29.799 29.799 29.039 0.760 25850 6348 1 12 . 1 1 37 37 GLU H H 37 7.750 7.750 8.008 -0.258 25850 6349 1 12 . 1 1 38 38 LYS N N 38 118.263 118.263 119.122 -0.859 25850 6350 1 12 . 1 1 38 38 LYS HA H 38 3.862 3.862 3.987 -0.125 25850 6351 1 12 . 1 1 38 38 LYS C C 38 179.253 179.253 178.644 0.609 25850 6352 1 12 . 1 1 38 38 LYS CA C 38 57.937 57.937 59.015 -1.078 25850 6353 1 12 . 1 1 38 38 LYS CB C 38 30.769 30.769 32.101 -1.332 25850 6354 1 12 . 1 1 38 38 LYS H H 38 8.550 8.550 7.965 0.585 25850 6355 1 12 . 1 1 39 39 ASN N N 39 118.329 118.329 117.426 0.903 25850 6356 1 12 . 1 1 39 39 ASN HA H 39 4.193 4.193 4.461 -0.268 25850 6357 1 12 . 1 1 39 39 ASN C C 39 179.428 179.428 178.035 1.393 25850 6358 1 12 . 1 1 39 39 ASN CA C 39 56.177 56.177 55.884 0.293 25850 6359 1 12 . 1 1 39 39 ASN CB C 39 38.478 38.478 38.545 -0.067 25850 6360 1 12 . 1 1 39 39 ASN H H 39 8.294 8.294 8.061 0.233 25850 6361 1 12 . 1 1 40 40 LYS N N 40 121.176 121.176 118.788 2.388 25850 6362 1 12 . 1 1 40 40 LYS HA H 40 4.047 4.047 4.221 -0.174 25850 6363 1 12 . 1 1 40 40 LYS C C 40 178.229 178.229 177.823 0.406 25850 6364 1 12 . 1 1 40 40 LYS CA C 40 59.471 59.471 58.590 0.881 25850 6365 1 12 . 1 1 40 40 LYS CB C 40 32.427 32.427 32.021 0.406 25850 6366 1 12 . 1 1 40 40 LYS H H 40 7.912 7.912 8.047 -0.135 25850 6367 1 12 . 1 1 41 41 MET N N 41 114.548 114.548 117.957 -3.409 25850 6368 1 12 . 1 1 41 41 MET HA H 41 4.512 4.512 4.481 0.031 25850 6369 1 12 . 1 1 41 41 MET C C 41 175.915 175.915 176.788 -0.873 25850 6370 1 12 . 1 1 41 41 MET CA C 41 55.529 55.529 55.324 0.205 25850 6371 1 12 . 1 1 41 41 MET CB C 41 34.022 34.022 32.862 1.160 25850 6372 1 12 . 1 1 41 41 MET H H 41 7.389 7.389 7.590 -0.201 25850 6373 1 12 . 1 1 42 42 GLY N N 42 107.409 107.409 107.980 -0.571 25850 6374 1 12 . 1 1 42 42 GLY C C 42 175.041 175.041 174.701 0.340 25850 6375 1 12 . 1 1 42 42 GLY CA C 42 45.335 45.335 45.428 -0.094 25850 6376 1 12 . 1 1 42 42 GLY H H 42 7.929 7.929 7.859 0.070 25850 6377 1 12 . 1 1 43 43 LYS N N 43 124.326 124.326 121.652 2.674 25850 6378 1 12 . 1 1 43 43 LYS HA H 43 4.684 4.684 4.337 0.347 25850 6379 1 12 . 1 1 43 43 LYS C C 43 176.514 176.514 175.859 0.655 25850 6380 1 12 . 1 1 43 43 LYS CA C 43 53.791 53.791 55.487 -1.696 25850 6381 1 12 . 1 1 43 43 LYS CB C 43 30.065 30.065 30.814 -0.749 25850 6382 1 12 . 1 1 43 43 LYS H H 43 8.040 8.040 7.888 0.152 25850 6383 1 12 . 1 1 44 44 VAL N N 44 121.020 121.020 121.762 -0.742 25850 6384 1 12 . 1 1 44 44 VAL HA H 44 3.580 3.580 3.629 -0.049 25850 6385 1 12 . 1 1 44 44 VAL C C 44 177.096 177.096 177.373 -0.277 25850 6386 1 12 . 1 1 44 44 VAL CA C 44 66.166 66.166 66.325 -0.159 25850 6387 1 12 . 1 1 44 44 VAL CB C 44 31.869 31.869 31.854 0.015 25850 6388 1 12 . 1 1 44 44 VAL H H 44 7.439 7.439 7.810 -0.371 25850 6389 1 12 . 1 1 45 45 LYS N N 45 119.164 119.164 119.781 -0.617 25850 6390 1 12 . 1 1 45 45 LYS HA H 45 3.950 3.950 3.951 -0.001 25850 6391 1 12 . 1 1 45 45 LYS C C 45 179.726 179.726 178.986 0.740 25850 6392 1 12 . 1 1 45 45 LYS CA C 45 60.153 60.153 59.252 0.901 25850 6393 1 12 . 1 1 45 45 LYS CB C 45 31.446 31.446 31.234 0.212 25850 6394 1 12 . 1 1 45 45 LYS H H 45 8.427 8.427 8.656 -0.229 25850 6395 1 12 . 1 1 46 46 GLU N N 46 118.446 118.446 118.957 -0.511 25850 6396 1 12 . 1 1 46 46 GLU HA H 46 4.092 4.092 4.044 0.048 25850 6397 1 12 . 1 1 46 46 GLU C C 46 178.490 178.490 178.486 0.004 25850 6398 1 12 . 1 1 46 46 GLU CA C 46 59.327 59.327 59.082 0.245 25850 6399 1 12 . 1 1 46 46 GLU CB C 46 29.764 29.764 29.335 0.429 25850 6400 1 12 . 1 1 46 46 GLU H H 46 7.867 7.867 8.504 -0.637 25850 6401 1 12 . 1 1 47 47 ALA N N 47 122.279 122.279 122.607 -0.328 25850 6402 1 12 . 1 1 47 47 ALA HA H 47 3.513 3.513 3.828 -0.315 25850 6403 1 12 . 1 1 47 47 ALA C C 47 178.065 178.065 179.161 -1.096 25850 6404 1 12 . 1 1 47 47 ALA CA C 47 55.905 55.905 54.884 1.021 25850 6405 1 12 . 1 1 47 47 ALA CB C 47 18.256 18.256 18.184 0.072 25850 6406 1 12 . 1 1 47 47 ALA H H 47 8.315 8.315 7.639 0.676 25850 6407 1 12 . 1 1 48 48 ILE N N 48 115.863 115.863 118.197 -2.334 25850 6408 1 12 . 1 1 48 48 ILE HA H 48 3.401 3.401 3.529 -0.128 25850 6409 1 12 . 1 1 48 48 ILE C C 48 176.808 176.808 177.885 -1.077 25850 6410 1 12 . 1 1 48 48 ILE CA C 48 66.282 66.282 65.596 0.686 25850 6411 1 12 . 1 1 48 48 ILE CB C 48 38.375 38.375 37.582 0.793 25850 6412 1 12 . 1 1 48 48 ILE H H 48 8.077 8.077 7.854 0.223 25850 6413 1 12 . 1 1 49 49 GLU N N 49 116.853 116.853 118.704 -1.851 25850 6414 1 12 . 1 1 49 49 GLU HA H 49 3.920 3.920 3.884 0.036 25850 6415 1 12 . 1 1 49 49 GLU C C 49 179.914 179.914 179.197 0.717 25850 6416 1 12 . 1 1 49 49 GLU CA C 49 59.535 59.535 59.148 0.387 25850 6417 1 12 . 1 1 49 49 GLU CB C 49 28.995 28.995 28.872 0.123 25850 6418 1 12 . 1 1 49 49 GLU H H 49 7.175 7.175 7.686 -0.511 25850 6419 1 12 . 1 1 50 50 TYR N N 50 117.578 117.578 119.009 -1.431 25850 6420 1 12 . 1 1 50 50 TYR HA H 50 3.774 3.774 4.161 -0.387 25850 6421 1 12 . 1 1 50 50 TYR C C 50 178.462 178.462 178.399 0.063 25850 6422 1 12 . 1 1 50 50 TYR CA C 50 64.368 64.368 61.331 3.037 25850 6423 1 12 . 1 1 50 50 TYR CB C 50 37.345 37.345 38.045 -0.700 25850 6424 1 12 . 1 1 50 50 TYR H H 50 7.676 7.676 7.493 0.183 25850 6425 1 12 . 1 1 51 51 PHE N N 51 119.480 119.480 118.349 1.131 25850 6426 1 12 . 1 1 51 51 PHE HA H 51 4.711 4.711 4.429 0.282 25850 6427 1 12 . 1 1 51 51 PHE C C 51 178.720 178.720 177.955 0.765 25850 6428 1 12 . 1 1 51 51 PHE CA C 51 58.958 58.958 60.190 -1.232 25850 6429 1 12 . 1 1 51 51 PHE CB C 51 37.771 37.771 38.036 -0.265 25850 6430 1 12 . 1 1 51 51 PHE H H 51 9.013 9.013 7.960 1.053 25850 6431 1 12 . 1 1 52 52 LEU N N 52 120.365 120.365 120.557 -0.192 25850 6432 1 12 . 1 1 52 52 LEU HA H 52 4.093 4.093 3.985 0.108 25850 6433 1 12 . 1 1 52 52 LEU C C 52 180.229 180.229 179.055 1.174 25850 6434 1 12 . 1 1 52 52 LEU CA C 52 58.252 58.252 58.533 -0.281 25850 6435 1 12 . 1 1 52 52 LEU CB C 52 42.160 42.160 41.441 0.719 25850 6436 1 12 . 1 1 52 52 LEU H H 52 8.906 8.906 8.443 0.463 25850 6437 1 12 . 1 1 53 53 ARG N N 53 119.294 119.294 118.814 0.480 25850 6438 1 12 . 1 1 53 53 ARG HA H 53 3.929 3.929 3.936 -0.007 25850 6439 1 12 . 1 1 53 53 ARG C C 53 179.087 179.087 178.405 0.682 25850 6440 1 12 . 1 1 53 53 ARG CA C 53 59.580 59.580 59.613 -0.033 25850 6441 1 12 . 1 1 53 53 ARG CB C 53 31.418 31.418 29.873 1.545 25850 6442 1 12 . 1 1 53 53 ARG H H 53 7.846 7.846 7.896 -0.050 25850 6443 1 12 . 1 1 54 54 ALA N N 54 121.351 121.351 121.851 -0.500 25850 6444 1 12 . 1 1 54 54 ALA HA H 54 3.693 3.693 3.823 -0.130 25850 6445 1 12 . 1 1 54 54 ALA C C 54 177.631 177.631 179.106 -1.475 25850 6446 1 12 . 1 1 54 54 ALA CA C 54 55.115 55.115 55.424 -0.309 25850 6447 1 12 . 1 1 54 54 ALA CB C 54 17.612 17.612 18.389 -0.777 25850 6448 1 12 . 1 1 54 54 ALA H H 54 8.892 8.892 8.203 0.689 25850 6449 1 12 . 1 1 55 55 LYS N N 55 117.135 117.135 118.895 -1.760 25850 6450 1 12 . 1 1 55 55 LYS HA H 55 3.835 3.835 4.258 -0.423 25850 6451 1 12 . 1 1 55 55 LYS C C 55 176.970 176.970 178.572 -1.602 25850 6452 1 12 . 1 1 55 55 LYS CA C 55 60.725 60.725 59.756 0.969 25850 6453 1 12 . 1 1 55 55 LYS CB C 55 32.602 32.602 32.439 0.163 25850 6454 1 12 . 1 1 55 55 LYS H H 55 8.626 8.626 8.176 0.450 25850 6455 1 12 . 1 1 56 56 LYS N N 56 116.695 116.695 119.837 -3.142 25850 6456 1 12 . 1 1 56 56 LYS HA H 56 4.171 4.171 4.267 -0.096 25850 6457 1 12 . 1 1 56 56 LYS C C 56 180.037 180.037 179.219 0.818 25850 6458 1 12 . 1 1 56 56 LYS CA C 56 59.606 59.606 59.343 0.263 25850 6459 1 12 . 1 1 56 56 LYS CB C 56 32.349 32.349 32.291 0.058 25850 6460 1 12 . 1 1 56 56 LYS H H 56 7.652 7.652 7.597 0.055 25850 6461 1 12 . 1 1 57 57 VAL N N 57 120.809 120.809 118.890 1.919 25850 6462 1 12 . 1 1 57 57 VAL HA H 57 3.753 3.753 3.642 0.111 25850 6463 1 12 . 1 1 57 57 VAL C C 57 178.174 178.174 178.005 0.169 25850 6464 1 12 . 1 1 57 57 VAL CA C 57 66.226 66.226 66.194 0.032 25850 6465 1 12 . 1 1 57 57 VAL CB C 57 31.424 31.424 31.645 -0.221 25850 6466 1 12 . 1 1 57 57 VAL H H 57 7.583 7.583 7.857 -0.274 25850 6467 1 12 . 1 1 58 58 PHE N N 58 118.864 118.864 119.285 -0.421 25850 6468 1 12 . 1 1 58 58 PHE HA H 58 4.521 4.521 4.064 0.457 25850 6469 1 12 . 1 1 58 58 PHE C C 58 179.187 179.187 177.705 1.482 25850 6470 1 12 . 1 1 58 58 PHE CA C 58 59.849 59.849 61.392 -1.543 25850 6471 1 12 . 1 1 58 58 PHE CB C 58 37.753 37.753 37.877 -0.124 25850 6472 1 12 . 1 1 58 58 PHE H H 58 8.871 8.871 8.050 0.821 25850 6473 1 12 . 1 1 59 59 ASP N N 59 119.714 119.714 119.457 0.257 25850 6474 1 12 . 1 1 59 59 ASP HA H 59 4.444 4.444 4.355 0.089 25850 6475 1 12 . 1 1 59 59 ASP C C 59 180.066 180.066 178.545 1.521 25850 6476 1 12 . 1 1 59 59 ASP CA C 59 57.201 57.201 57.501 -0.300 25850 6477 1 12 . 1 1 59 59 ASP CB C 59 39.713 39.713 40.320 -0.607 25850 6478 1 12 . 1 1 59 59 ASP H H 59 9.157 9.157 8.415 0.742 25850 6479 1 12 . 1 1 60 60 ALA N N 60 124.290 124.290 120.917 3.373 25850 6480 1 12 . 1 1 60 60 ALA HA H 60 4.087 4.087 3.984 0.103 25850 6481 1 12 . 1 1 60 60 ALA C C 60 179.389 179.389 178.948 0.441 25850 6482 1 12 . 1 1 60 60 ALA CA C 60 54.760 54.760 54.057 0.703 25850 6483 1 12 . 1 1 60 60 ALA CB C 60 18.025 18.025 18.738 -0.713 25850 6484 1 12 . 1 1 60 60 ALA H H 60 7.742 7.742 7.423 0.319 25850 6485 1 12 . 1 1 61 61 GLU N N 61 114.493 114.493 115.345 -0.852 25850 6486 1 12 . 1 1 61 61 GLU HA H 61 4.259 4.259 4.164 0.095 25850 6487 1 12 . 1 1 61 61 GLU C C 61 175.970 175.970 176.084 -0.114 25850 6488 1 12 . 1 1 61 61 GLU CA C 61 55.049 55.049 56.402 -1.353 25850 6489 1 12 . 1 1 61 61 GLU CB C 61 29.724 29.724 29.904 -0.180 25850 6490 1 12 . 1 1 61 61 GLU H H 61 7.908 7.908 7.613 0.295 25850 6491 1 12 . 1 1 62 62 HIS N N 62 115.130 115.130 113.474 1.656 25850 6492 1 12 . 1 1 62 62 HIS HA H 62 4.264 4.264 4.338 -0.074 25850 6493 1 12 . 1 1 62 62 HIS C C 62 173.916 173.916 174.324 -0.408 25850 6494 1 12 . 1 1 62 62 HIS CA C 62 56.531 56.531 56.918 -0.387 25850 6495 1 12 . 1 1 62 62 HIS CB C 62 26.039 26.039 27.170 -1.131 25850 6496 1 12 . 1 1 62 62 HIS H H 62 7.830 7.830 7.369 0.461 25850 6497 1 12 . 1 1 63 63 ASP N N 63 118.507 118.507 120.297 -1.790 25850 6498 1 12 . 1 1 63 63 ASP HA H 63 4.854 4.854 4.725 0.129 25850 6499 1 12 . 1 1 63 63 ASP C C 63 176.143 176.143 176.530 -0.387 25850 6500 1 12 . 1 1 63 63 ASP CA C 63 52.127 52.127 53.769 -1.642 25850 6501 1 12 . 1 1 63 63 ASP CB C 63 40.068 40.068 40.756 -0.688 25850 6502 1 12 . 1 1 63 63 ASP H H 63 8.521 8.521 8.156 0.365 25850 6503 1 12 . 1 1 64 64 THR N N 64 119.037 119.037 119.426 -0.389 25850 6504 1 12 . 1 1 64 64 THR HA H 64 3.869 3.869 3.924 -0.055 25850 6505 1 12 . 1 1 64 64 THR C C 64 176.814 176.814 175.596 1.218 25850 6506 1 12 . 1 1 64 64 THR CA C 64 65.198 65.198 66.351 -1.153 25850 6507 1 12 . 1 1 64 64 THR CB C 64 68.315 68.315 68.972 -0.657 25850 6508 1 12 . 1 1 64 64 THR H H 64 7.907 7.907 7.784 0.123 25850 6509 1 12 . 1 1 65 65 ASP N N 65 122.892 122.892 120.724 2.168 25850 6510 1 12 . 1 1 65 65 ASP HA H 65 4.287 4.287 4.330 -0.043 25850 6511 1 12 . 1 1 65 65 ASP C C 65 178.326 178.326 178.170 0.156 25850 6512 1 12 . 1 1 65 65 ASP CA C 65 57.350 57.350 56.989 0.361 25850 6513 1 12 . 1 1 65 65 ASP CB C 65 41.121 41.121 40.377 0.744 25850 6514 1 12 . 1 1 65 65 ASP H H 65 8.375 8.375 8.266 0.109 25850 6515 1 12 . 1 1 66 66 GLY N N 66 109.334 109.334 106.441 2.893 25850 6516 1 12 . 1 1 66 66 GLY C C 66 175.861 175.861 175.150 0.711 25850 6517 1 12 . 1 1 66 66 GLY CA C 66 46.136 46.136 45.745 0.391 25850 6518 1 12 . 1 1 66 66 GLY H H 66 8.234 8.234 7.853 0.381 25850 6519 1 12 . 1 1 67 67 ALA N N 67 122.888 122.888 124.973 -2.085 25850 6520 1 12 . 1 1 67 67 ALA HA H 67 3.892 3.892 4.044 -0.152 25850 6521 1 12 . 1 1 67 67 ALA C C 67 179.384 179.384 179.414 -0.030 25850 6522 1 12 . 1 1 67 67 ALA CA C 67 55.960 55.960 54.687 1.273 25850 6523 1 12 . 1 1 67 67 ALA CB C 67 18.611 18.611 18.548 0.063 25850 6524 1 12 . 1 1 67 67 ALA H H 67 7.949 7.949 7.341 0.608 25850 6525 1 12 . 1 1 68 68 ARG N N 68 118.221 118.221 117.661 0.560 25850 6526 1 12 . 1 1 68 68 ARG HA H 68 3.993 3.993 4.003 -0.010 25850 6527 1 12 . 1 1 68 68 ARG C C 68 179.355 179.355 178.569 0.786 25850 6528 1 12 . 1 1 68 68 ARG CA C 68 59.234 59.234 59.293 -0.059 25850 6529 1 12 . 1 1 68 68 ARG CB C 68 29.799 29.799 30.089 -0.290 25850 6530 1 12 . 1 1 68 68 ARG H H 68 7.917 7.917 8.024 -0.107 25850 6531 1 12 . 1 1 69 69 ARG N N 69 120.551 120.551 120.027 0.524 25850 6532 1 12 . 1 1 69 69 ARG HA H 69 3.923 3.923 3.962 -0.039 25850 6533 1 12 . 1 1 69 69 ARG C C 69 179.120 179.120 178.036 1.084 25850 6534 1 12 . 1 1 69 69 ARG CA C 69 59.310 59.310 59.162 0.148 25850 6535 1 12 . 1 1 69 69 ARG CB C 69 29.189 29.189 29.877 -0.688 25850 6536 1 12 . 1 1 69 69 ARG H H 69 7.749 7.749 7.890 -0.141 25850 6537 1 12 . 1 1 70 70 ALA N N 70 121.098 121.098 120.711 0.387 25850 6538 1 12 . 1 1 70 70 ALA HA H 70 4.016 4.016 4.400 -0.384 25850 6539 1 12 . 1 1 70 70 ALA C C 70 178.438 178.438 179.435 -0.997 25850 6540 1 12 . 1 1 70 70 ALA CA C 70 55.536 55.536 54.716 0.820 25850 6541 1 12 . 1 1 70 70 ALA CB C 70 17.216 17.216 18.305 -1.089 25850 6542 1 12 . 1 1 70 70 ALA H H 70 8.245 8.245 7.871 0.374 25850 6543 1 12 . 1 1 71 71 ALA N N 71 119.333 119.333 121.307 -1.974 25850 6544 1 12 . 1 1 71 71 ALA HA H 71 4.047 4.047 4.166 -0.119 25850 6545 1 12 . 1 1 71 71 ALA C C 71 180.219 180.219 179.451 0.768 25850 6546 1 12 . 1 1 71 71 ALA CA C 71 55.083 55.083 55.023 0.060 25850 6547 1 12 . 1 1 71 71 ALA CB C 71 18.198 18.198 18.293 -0.095 25850 6548 1 12 . 1 1 71 71 ALA H H 71 8.565 8.565 7.781 0.784 25850 6549 1 12 . 1 1 72 72 LYS N N 72 121.188 121.188 119.239 1.949 25850 6550 1 12 . 1 1 72 72 LYS HA H 72 4.107 4.107 4.178 -0.071 25850 6551 1 12 . 1 1 72 72 LYS C C 72 179.155 179.155 178.587 0.568 25850 6552 1 12 . 1 1 72 72 LYS CA C 72 59.271 59.271 58.579 0.692 25850 6553 1 12 . 1 1 72 72 LYS CB C 72 31.786 31.786 32.299 -0.513 25850 6554 1 12 . 1 1 72 72 LYS H H 72 8.108 8.108 8.233 -0.125 25850 6555 1 12 . 1 1 73 73 SER N N 73 116.976 116.976 115.968 1.008 25850 6556 1 12 . 1 1 73 73 SER HA H 73 3.957 3.957 4.332 -0.375 25850 6557 1 12 . 1 1 73 73 SER C C 73 176.394 176.394 176.596 -0.202 25850 6558 1 12 . 1 1 73 73 SER CA C 73 62.753 62.753 61.093 1.660 25850 6559 1 12 . 1 1 73 73 SER CB C 73 60.718 60.718 62.444 -1.726 25850 6560 1 12 . 1 1 73 73 SER H H 73 8.057 8.057 7.919 0.138 25850 6561 1 12 . 1 1 74 74 LEU N N 74 123.741 123.741 121.908 1.833 25850 6562 1 12 . 1 1 74 74 LEU HA H 74 3.831 3.831 3.820 0.011 25850 6563 1 12 . 1 1 74 74 LEU C C 74 176.704 176.704 178.440 -1.736 25850 6564 1 12 . 1 1 74 74 LEU CA C 74 58.545 58.545 58.208 0.337 25850 6565 1 12 . 1 1 74 74 LEU CB C 74 41.862 41.862 41.911 -0.049 25850 6566 1 12 . 1 1 74 74 LEU H H 74 8.341 8.341 7.967 0.374 25850 6567 1 12 . 1 1 75 75 SER N N 75 113.508 113.508 114.939 -1.431 25850 6568 1 12 . 1 1 75 75 SER HA H 75 4.277 4.277 4.239 0.038 25850 6569 1 12 . 1 1 75 75 SER C C 75 177.668 177.668 176.915 0.753 25850 6570 1 12 . 1 1 75 75 SER CA C 75 61.926 61.926 62.364 -0.438 25850 6571 1 12 . 1 1 75 75 SER CB C 75 62.702 62.702 62.856 -0.154 25850 6572 1 12 . 1 1 75 75 SER H H 75 8.055 8.055 7.916 0.139 25850 6573 1 12 . 1 1 76 76 GLU N N 76 119.999 119.999 121.163 -1.164 25850 6574 1 12 . 1 1 76 76 GLU HA H 76 4.041 4.041 4.064 -0.023 25850 6575 1 12 . 1 1 76 76 GLU C C 76 178.836 178.836 178.800 0.036 25850 6576 1 12 . 1 1 76 76 GLU CA C 76 58.928 58.928 58.972 -0.044 25850 6577 1 12 . 1 1 76 76 GLU CB C 76 29.684 29.684 29.550 0.134 25850 6578 1 12 . 1 1 76 76 GLU H H 76 7.874 7.874 7.625 0.249 25850 6579 1 12 . 1 1 77 77 ALA N N 77 123.551 123.551 122.797 0.754 25850 6580 1 12 . 1 1 77 77 ALA HA H 77 4.242 4.242 4.089 0.153 25850 6581 1 12 . 1 1 77 77 ALA C C 77 180.005 180.005 179.660 0.345 25850 6582 1 12 . 1 1 77 77 ALA CA C 77 55.031 55.031 54.752 0.279 25850 6583 1 12 . 1 1 77 77 ALA CB C 77 18.237 18.237 18.378 -0.141 25850 6584 1 12 . 1 1 77 77 ALA H H 77 8.043 8.043 7.649 0.394 25850 6585 1 12 . 1 1 78 78 TYR N N 78 116.371 116.371 117.593 -1.222 25850 6586 1 12 . 1 1 78 78 TYR HA H 78 4.418 4.418 4.194 0.224 25850 6587 1 12 . 1 1 78 78 TYR C C 78 178.901 178.901 178.610 0.291 25850 6588 1 12 . 1 1 78 78 TYR CA C 78 60.302 60.302 61.489 -1.187 25850 6589 1 12 . 1 1 78 78 TYR CB C 78 37.416 37.416 37.715 -0.299 25850 6590 1 12 . 1 1 78 78 TYR H H 78 8.699 8.699 8.304 0.395 25850 6591 1 12 . 1 1 79 79 GLN N N 79 116.649 116.649 117.932 -1.283 25850 6592 1 12 . 1 1 79 79 GLN HA H 79 4.212 4.212 4.380 -0.168 25850 6593 1 12 . 1 1 79 79 GLN C C 79 177.778 177.778 176.942 0.836 25850 6594 1 12 . 1 1 79 79 GLN CA C 79 57.922 57.922 58.291 -0.369 25850 6595 1 12 . 1 1 79 79 GLN CB C 79 28.659 28.659 28.664 -0.005 25850 6596 1 12 . 1 1 79 79 GLN H H 79 7.667 7.667 7.655 0.012 25850 6597 1 12 . 1 1 80 80 LYS N N 80 118.855 118.855 117.041 1.814 25850 6598 1 12 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.156 0.137 25850 6599 1 12 . 1 1 80 80 LYS C C 80 178.038 178.038 178.410 -0.372 25850 6600 1 12 . 1 1 80 80 LYS CA C 80 57.474 57.474 58.073 -0.599 25850 6601 1 12 . 1 1 80 80 LYS CB C 80 32.816 32.816 32.506 0.310 25850 6602 1 12 . 1 1 80 80 LYS H H 80 7.766 7.766 7.366 0.400 25850 6603 1 12 . 1 1 81 81 VAL N N 81 117.863 117.863 116.858 1.005 25850 6604 1 12 . 1 1 81 81 VAL HA H 81 4.076 4.076 3.794 0.282 25850 6605 1 12 . 1 1 81 81 VAL C C 81 176.805 176.805 177.185 -0.380 25850 6606 1 12 . 1 1 81 81 VAL CA C 81 63.409 63.409 64.807 -1.398 25850 6607 1 12 . 1 1 81 81 VAL CB C 81 32.423 32.423 32.048 0.374 25850 6608 1 12 . 1 1 81 81 VAL H H 81 7.821 7.821 7.554 0.267 25850 6609 1 12 . 1 1 82 82 GLU N N 82 122.552 122.552 119.031 3.521 25850 6610 1 12 . 1 1 82 82 GLU HA H 82 4.277 4.277 4.234 0.043 25850 6611 1 12 . 1 1 82 82 GLU C C 82 177.559 177.559 176.650 0.909 25850 6612 1 12 . 1 1 82 82 GLU CA C 82 57.300 57.300 56.935 0.365 25850 6613 1 12 . 1 1 82 82 GLU CB C 82 29.927 29.927 30.497 -0.570 25850 6614 1 12 . 1 1 82 82 GLU H H 82 8.329 8.329 7.633 0.696 25850 6615 1 12 . 1 1 83 83 GLY N N 83 109.040 109.040 106.956 2.084 25850 6616 1 12 . 1 1 83 83 GLY C C 83 174.590 174.590 174.092 0.498 25850 6617 1 12 . 1 1 83 83 GLY CA C 83 45.530 45.530 45.227 0.303 25850 6618 1 12 . 1 1 83 83 GLY H H 83 8.309 8.309 8.521 -0.212 25850 6619 1 12 . 1 1 84 84 SER N N 84 115.258 115.258 116.244 -0.986 25850 6620 1 12 . 1 1 84 84 SER HA H 84 4.495 4.495 4.345 0.150 25850 6621 1 12 . 1 1 84 84 SER C C 84 175.217 175.217 174.929 0.288 25850 6622 1 12 . 1 1 84 84 SER CA C 84 58.580 58.580 58.488 0.092 25850 6623 1 12 . 1 1 84 84 SER CB C 84 63.827 63.827 62.431 1.396 25850 6624 1 12 . 1 1 84 84 SER H H 84 8.180 8.180 8.147 0.033 25850 6625 1 12 . 1 1 85 85 GLY N N 85 110.681 110.681 109.649 1.032 25850 6626 1 12 . 1 1 85 85 GLY C C 85 174.063 174.063 174.340 -0.277 25850 6627 1 12 . 1 1 85 85 GLY CA C 85 45.395 45.395 45.677 -0.282 25850 6628 1 12 . 1 1 85 85 GLY H H 85 8.472 8.472 8.658 -0.186 25850 6629 1 12 . 1 1 86 86 ASP N N 86 120.537 120.537 120.089 0.448 25850 6630 1 12 . 1 1 86 86 ASP HA H 86 4.597 4.597 4.401 0.196 25850 6631 1 12 . 1 1 86 86 ASP C C 86 176.761 176.761 175.282 1.479 25850 6632 1 12 . 1 1 86 86 ASP CA C 86 54.451 54.451 54.715 -0.264 25850 6633 1 12 . 1 1 86 86 ASP CB C 86 41.069 41.069 41.012 0.057 25850 6634 1 12 . 1 1 86 86 ASP H H 86 8.272 8.272 7.965 0.307 25850 6635 1 12 . 1 1 87 87 LYS N N 87 121.608 121.608 119.058 2.550 25850 6636 1 12 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.138 0.108 25850 6637 1 12 . 1 1 87 87 LYS C C 87 177.342 177.342 175.992 1.350 25850 6638 1 12 . 1 1 87 87 LYS CA C 87 56.545 56.545 56.347 0.198 25850 6639 1 12 . 1 1 87 87 LYS CB C 87 32.302 32.302 31.914 0.388 25850 6640 1 12 . 1 1 87 87 LYS H H 87 8.344 8.344 8.436 -0.092 25850 6641 1 12 . 1 1 88 88 GLY N N 88 108.711 108.711 109.609 -0.898 25850 6642 1 12 . 1 1 88 88 GLY C C 88 174.216 174.216 174.389 -0.173 25850 6643 1 12 . 1 1 88 88 GLY CA C 88 45.339 45.339 44.757 0.582 25850 6644 1 12 . 1 1 88 88 GLY H H 88 8.449 8.449 8.341 0.108 25850 6645 1 12 . 1 1 89 89 LYS N N 89 120.508 120.508 123.000 -2.492 25850 6646 1 12 . 1 1 89 89 LYS HA H 89 4.266 4.266 4.500 -0.234 25850 6647 1 12 . 1 1 89 89 LYS C C 89 176.464 176.464 176.255 0.209 25850 6648 1 12 . 1 1 89 89 LYS CA C 89 56.214 56.214 55.510 0.704 25850 6649 1 12 . 1 1 89 89 LYS CB C 89 32.824 32.824 33.655 -0.831 25850 6650 1 12 . 1 1 89 89 LYS H H 89 7.958 7.958 8.174 -0.216 25850 6651 1 12 . 1 1 90 90 ILE N N 90 121.127 121.127 117.974 3.153 25850 6652 1 12 . 1 1 90 90 ILE HA H 90 4.091 4.091 4.415 -0.324 25850 6653 1 12 . 1 1 90 90 ILE C C 90 175.896 175.896 175.454 0.442 25850 6654 1 12 . 1 1 90 90 ILE CA C 90 61.022 61.022 60.304 0.718 25850 6655 1 12 . 1 1 90 90 ILE CB C 90 38.488 38.488 39.204 -0.716 25850 6656 1 12 . 1 1 90 90 ILE H H 90 8.005 8.005 8.139 -0.134 25850 6657 1 12 . 1 1 91 91 PHE N N 91 123.843 123.843 128.142 -4.299 25850 6658 1 12 . 1 1 91 91 PHE HA H 91 4.615 4.615 4.503 0.112 25850 6659 1 12 . 1 1 91 91 PHE C C 91 175.327 175.327 175.438 -0.111 25850 6660 1 12 . 1 1 91 91 PHE CA C 91 57.565 57.565 57.701 -0.136 25850 6661 1 12 . 1 1 91 91 PHE CB C 91 39.457 39.457 39.397 0.060 25850 6662 1 12 . 1 1 91 91 PHE H H 91 8.283 8.283 8.740 -0.457 25850 6663 1 12 . 1 1 92 92 GLN N N 92 122.349 122.349 125.320 -2.971 25850 6664 1 12 . 1 1 92 92 GLN HA H 92 4.296 4.296 4.245 0.051 25850 6665 1 12 . 1 1 92 92 GLN C C 92 175.338 175.338 175.188 0.150 25850 6666 1 12 . 1 1 92 92 GLN CA C 92 55.492 55.492 55.492 0.000 25850 6667 1 12 . 1 1 92 92 GLN CB C 92 29.708 29.708 29.421 0.287 25850 6668 1 12 . 1 1 92 92 GLN H H 92 8.212 8.212 8.334 -0.122 25850 6669 1 12 . 1 1 93 93 LYS N N 93 123.137 123.137 122.771 0.366 25850 6670 1 12 . 1 1 93 93 LYS HA H 93 4.250 4.250 4.178 0.072 25850 6671 1 12 . 1 1 93 93 LYS C C 93 176.492 176.492 176.187 0.305 25850 6672 1 12 . 1 1 93 93 LYS CA C 93 56.272 56.272 56.610 -0.338 25850 6673 1 12 . 1 1 93 93 LYS CB C 93 33.055 33.055 32.894 0.161 25850 6674 1 12 . 1 1 93 93 LYS H H 93 8.364 8.364 8.362 0.002 25850 6675 1 12 . 1 1 94 94 GLU N N 94 122.671 122.671 121.091 1.580 25850 6676 1 12 . 1 1 94 94 GLU HA H 94 4.246 4.246 4.511 -0.265 25850 6677 1 12 . 1 1 94 94 GLU C C 94 177.008 177.008 175.392 1.616 25850 6678 1 12 . 1 1 94 94 GLU CA C 94 56.848 56.848 55.991 0.857 25850 6679 1 12 . 1 1 94 94 GLU CB C 94 30.054 30.054 29.192 0.862 25850 6680 1 12 . 1 1 94 94 GLU H H 94 8.571 8.571 8.565 0.006 25850 6681 1 12 . 1 1 95 95 GLY N N 95 110.337 110.337 112.189 -1.852 25850 6682 1 12 . 1 1 95 95 GLY C C 95 174.070 174.070 174.017 0.053 25850 6683 1 12 . 1 1 95 95 GLY CA C 95 45.191 45.191 45.757 -0.566 25850 6684 1 12 . 1 1 95 95 GLY H H 95 8.490 8.490 7.929 0.561 25850 6685 1 12 . 1 1 96 96 GLU N N 96 120.183 120.183 119.425 0.758 25850 6686 1 12 . 1 1 96 96 GLU HA H 96 4.339 4.339 4.214 0.125 25850 6687 1 12 . 1 1 96 96 GLU C C 96 176.463 176.463 175.296 1.167 25850 6688 1 12 . 1 1 96 96 GLU CA C 96 56.204 56.204 57.126 -0.922 25850 6689 1 12 . 1 1 96 96 GLU CB C 96 30.433 30.433 28.691 1.742 25850 6690 1 12 . 1 1 96 96 GLU H H 96 8.142 8.142 8.675 -0.533 25850 6691 1 12 . 1 1 97 97 SER N N 97 116.979 116.979 113.978 3.001 25850 6692 1 12 . 1 1 97 97 SER HA H 97 4.472 4.472 4.623 -0.151 25850 6693 1 12 . 1 1 97 97 SER C C 97 174.162 174.162 173.887 0.275 25850 6694 1 12 . 1 1 97 97 SER CA C 97 58.070 58.070 57.385 0.685 25850 6695 1 12 . 1 1 97 97 SER CB C 97 63.710 63.710 64.819 -1.109 25850 6696 1 12 . 1 1 97 97 SER H H 97 8.381 8.381 7.770 0.611 25850 6697 1 12 . 1 1 98 98 ILE N N 98 122.626 122.626 122.862 -0.236 25850 6698 1 12 . 1 1 98 98 ILE HA H 98 4.201 4.201 4.011 0.190 25850 6699 1 12 . 1 1 98 98 ILE C C 98 175.921 175.921 176.121 -0.200 25850 6700 1 12 . 1 1 98 98 ILE CA C 98 60.947 60.947 61.828 -0.881 25850 6701 1 12 . 1 1 98 98 ILE CB C 98 38.616 38.616 38.087 0.530 25850 6702 1 12 . 1 1 98 98 ILE H H 98 8.216 8.216 8.379 -0.163 25850 6703 1 12 . 1 1 99 99 LEU N N 99 126.765 126.765 129.392 -2.627 25850 6704 1 12 . 1 1 99 99 LEU HA H 99 4.399 4.399 4.439 -0.040 25850 6705 1 12 . 1 1 99 99 LEU C C 99 176.093 176.093 177.075 -0.982 25850 6706 1 12 . 1 1 99 99 LEU CA C 99 54.853 54.853 54.750 0.103 25850 6707 1 12 . 1 1 99 99 LEU CB C 99 42.135 42.135 40.889 1.246 25850 6708 1 12 . 1 1 99 99 LEU H H 99 8.326 8.326 8.358 -0.032 25850 6709 1 13 . 1 1 2 2 GLY C C 2 173.891 173.891 174.010 -0.119 25850 6710 1 13 . 1 1 2 2 GLY CA C 2 44.831 44.831 44.694 0.137 25850 6711 1 13 . 1 1 3 3 SER N N 3 117.545 117.545 115.617 1.928 25850 6712 1 13 . 1 1 3 3 SER HA H 3 4.799 4.799 4.665 0.134 25850 6713 1 13 . 1 1 3 3 SER C C 3 173.162 173.162 174.004 -0.842 25850 6714 1 13 . 1 1 3 3 SER CA C 3 56.530 56.530 55.593 0.937 25850 6715 1 13 . 1 1 3 3 SER CB C 3 63.002 63.002 63.777 -0.775 25850 6716 1 13 . 1 1 3 3 SER H H 3 8.428 8.428 7.569 0.859 25850 6717 1 13 . 1 1 4 4 PRO HA H 4 4.644 4.644 4.396 0.248 25850 6718 1 13 . 1 1 4 4 PRO C C 4 178.093 178.093 178.151 -0.058 25850 6719 1 13 . 1 1 4 4 PRO CA C 4 65.378 65.378 64.660 0.718 25850 6720 1 13 . 1 1 4 4 PRO CB C 4 31.965 31.965 32.051 -0.086 25850 6721 1 13 . 1 1 5 5 ASP N N 5 115.270 115.270 116.433 -1.163 25850 6722 1 13 . 1 1 5 5 ASP HA H 5 4.353 4.353 4.350 0.003 25850 6723 1 13 . 1 1 5 5 ASP C C 5 178.915 178.915 178.064 0.851 25850 6724 1 13 . 1 1 5 5 ASP CA C 5 56.796 56.796 56.964 -0.168 25850 6725 1 13 . 1 1 5 5 ASP CB C 5 40.690 40.690 40.422 0.268 25850 6726 1 13 . 1 1 5 5 ASP H H 5 8.233 8.233 8.805 -0.572 25850 6727 1 13 . 1 1 6 6 GLU N N 6 121.390 121.390 119.119 2.271 25850 6728 1 13 . 1 1 6 6 GLU HA H 6 4.027 4.027 4.017 0.010 25850 6729 1 13 . 1 1 6 6 GLU C C 6 178.836 178.836 178.738 0.098 25850 6730 1 13 . 1 1 6 6 GLU CA C 6 58.594 58.594 59.258 -0.664 25850 6731 1 13 . 1 1 6 6 GLU CB C 6 29.641 29.641 28.758 0.883 25850 6732 1 13 . 1 1 6 6 GLU H H 6 7.770 7.770 7.749 0.021 25850 6733 1 13 . 1 1 7 7 ASN N N 7 119.966 119.966 118.768 1.198 25850 6734 1 13 . 1 1 7 7 ASN HA H 7 4.155 4.155 4.168 -0.013 25850 6735 1 13 . 1 1 7 7 ASN C C 7 176.723 176.723 177.517 -0.794 25850 6736 1 13 . 1 1 7 7 ASN CA C 7 55.007 55.007 55.557 -0.550 25850 6737 1 13 . 1 1 7 7 ASN CB C 7 36.627 36.627 37.677 -1.050 25850 6738 1 13 . 1 1 7 7 ASN H H 7 8.378 8.378 8.095 0.283 25850 6739 1 13 . 1 1 8 8 ILE N N 8 119.915 119.915 121.060 -1.145 25850 6740 1 13 . 1 1 8 8 ILE HA H 8 3.608 3.608 3.690 -0.082 25850 6741 1 13 . 1 1 8 8 ILE CA C 8 66.495 66.495 65.588 0.907 25850 6742 1 13 . 1 1 8 8 ILE CB C 8 37.558 37.558 37.725 -0.167 25850 6743 1 13 . 1 1 8 8 ILE H H 8 8.626 8.626 8.170 0.456 25850 6744 1 13 . 1 1 9 9 ALA N N 9 121.268 121.268 121.656 -0.388 25850 6745 1 13 . 1 1 9 9 ALA HA H 9 4.235 4.235 3.843 0.392 25850 6746 1 13 . 1 1 9 9 ALA C C 9 180.624 180.624 178.861 1.763 25850 6747 1 13 . 1 1 9 9 ALA CA C 9 54.922 54.922 55.575 -0.653 25850 6748 1 13 . 1 1 9 9 ALA CB C 9 17.710 17.710 17.964 -0.254 25850 6749 1 13 . 1 1 9 9 ALA H H 9 7.597 7.597 8.059 -0.462 25850 6750 1 13 . 1 1 10 10 LYS N N 10 118.798 118.798 119.119 -0.321 25850 6751 1 13 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.929 0.082 25850 6752 1 13 . 1 1 10 10 LYS C C 10 180.034 180.034 179.087 0.947 25850 6753 1 13 . 1 1 10 10 LYS CA C 10 59.264 59.264 59.179 0.085 25850 6754 1 13 . 1 1 10 10 LYS CB C 10 31.744 31.744 32.150 -0.406 25850 6755 1 13 . 1 1 10 10 LYS H H 10 7.569 7.569 7.443 0.126 25850 6756 1 13 . 1 1 11 11 PHE N N 11 121.394 121.394 117.103 4.291 25850 6757 1 13 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.418 0.310 25850 6758 1 13 . 1 1 11 11 PHE C C 11 178.445 178.445 178.328 0.117 25850 6759 1 13 . 1 1 11 11 PHE CA C 11 59.549 59.549 59.515 0.034 25850 6760 1 13 . 1 1 11 11 PHE CB C 11 39.001 39.001 38.240 0.761 25850 6761 1 13 . 1 1 11 11 PHE H H 11 8.347 8.347 7.945 0.402 25850 6762 1 13 . 1 1 12 12 GLU N N 12 121.864 121.864 121.114 0.750 25850 6763 1 13 . 1 1 12 12 GLU HA H 12 4.127 4.127 4.154 -0.027 25850 6764 1 13 . 1 1 12 12 GLU C C 12 179.600 179.600 179.076 0.524 25850 6765 1 13 . 1 1 12 12 GLU CA C 12 59.803 59.803 59.556 0.247 25850 6766 1 13 . 1 1 12 12 GLU CB C 12 29.488 29.488 29.276 0.211 25850 6767 1 13 . 1 1 12 12 GLU H H 12 9.184 9.184 8.092 1.092 25850 6768 1 13 . 1 1 13 13 LYS N N 13 120.472 120.472 119.133 1.339 25850 6769 1 13 . 1 1 13 13 LYS HA H 13 4.127 4.127 4.189 -0.062 25850 6770 1 13 . 1 1 13 13 LYS C C 13 179.120 179.120 179.000 0.120 25850 6771 1 13 . 1 1 13 13 LYS CA C 13 59.308 59.308 58.583 0.725 25850 6772 1 13 . 1 1 13 13 LYS CB C 13 32.147 32.147 32.019 0.128 25850 6773 1 13 . 1 1 13 13 LYS H H 13 7.800 7.800 8.073 -0.273 25850 6774 1 13 . 1 1 14 14 ALA N N 14 122.753 122.753 122.578 0.175 25850 6775 1 13 . 1 1 14 14 ALA HA H 14 4.205 4.205 4.126 0.079 25850 6776 1 13 . 1 1 14 14 ALA C C 14 180.640 180.640 178.829 1.811 25850 6777 1 13 . 1 1 14 14 ALA CA C 14 54.756 54.756 54.783 -0.027 25850 6778 1 13 . 1 1 14 14 ALA CB C 14 17.913 17.913 18.514 -0.601 25850 6779 1 13 . 1 1 14 14 ALA H H 14 8.001 8.001 7.805 0.196 25850 6780 1 13 . 1 1 15 15 TYR HA H 15 3.850 3.850 4.225 -0.375 25850 6781 1 13 . 1 1 15 15 TYR C C 15 175.898 175.898 177.429 -1.531 25850 6782 1 13 . 1 1 15 15 TYR CA C 15 62.008 62.008 60.845 1.163 25850 6783 1 13 . 1 1 15 15 TYR CB C 15 37.756 37.756 38.562 -0.806 25850 6784 1 13 . 1 1 15 15 TYR H H 15 8.906 8.906 7.922 0.984 25850 6785 1 13 . 1 1 16 16 LYS N N 16 119.082 119.082 117.809 1.273 25850 6786 1 13 . 1 1 16 16 LYS HA H 16 3.985 3.985 3.872 0.113 25850 6787 1 13 . 1 1 16 16 LYS C C 16 179.068 179.068 178.888 0.180 25850 6788 1 13 . 1 1 16 16 LYS CA C 16 58.622 58.622 58.483 0.139 25850 6789 1 13 . 1 1 16 16 LYS CB C 16 32.131 32.131 31.820 0.311 25850 6790 1 13 . 1 1 16 16 LYS H H 16 8.059 8.059 7.871 0.188 25850 6791 1 13 . 1 1 17 17 LYS N N 17 119.708 119.708 120.487 -0.779 25850 6792 1 13 . 1 1 17 17 LYS HA H 17 4.142 4.142 4.361 -0.219 25850 6793 1 13 . 1 1 17 17 LYS CA C 17 57.951 57.951 59.172 -1.220 25850 6794 1 13 . 1 1 17 17 LYS CB C 17 31.802 31.802 32.470 -0.668 25850 6795 1 13 . 1 1 17 17 LYS H H 17 7.900 7.900 7.838 0.062 25850 6796 1 13 . 1 1 18 18 ALA N N 18 120.860 120.860 122.092 -1.232 25850 6797 1 13 . 1 1 18 18 ALA HA H 18 4.329 4.329 4.017 0.312 25850 6798 1 13 . 1 1 18 18 ALA C C 18 179.572 179.572 179.406 0.166 25850 6799 1 13 . 1 1 18 18 ALA CA C 18 54.110 54.110 55.343 -1.233 25850 6800 1 13 . 1 1 18 18 ALA CB C 18 18.782 18.782 17.853 0.929 25850 6801 1 13 . 1 1 18 18 ALA H H 18 7.854 7.854 8.047 -0.193 25850 6802 1 13 . 1 1 19 19 GLU N N 19 120.904 120.904 118.653 2.251 25850 6803 1 13 . 1 1 19 19 GLU HA H 19 4.240 4.240 3.942 0.298 25850 6804 1 13 . 1 1 19 19 GLU C C 19 180.268 180.268 179.015 1.253 25850 6805 1 13 . 1 1 19 19 GLU CA C 19 59.147 59.147 58.972 0.175 25850 6806 1 13 . 1 1 19 19 GLU CB C 19 29.889 29.889 29.305 0.584 25850 6807 1 13 . 1 1 19 19 GLU H H 19 8.690 8.690 7.668 1.022 25850 6808 1 13 . 1 1 20 20 GLU N N 20 120.868 120.868 119.092 1.776 25850 6809 1 13 . 1 1 20 20 GLU HA H 20 4.024 4.024 4.069 -0.045 25850 6810 1 13 . 1 1 20 20 GLU C C 20 177.975 177.975 178.907 -0.932 25850 6811 1 13 . 1 1 20 20 GLU CA C 20 58.935 58.935 58.538 0.397 25850 6812 1 13 . 1 1 20 20 GLU CB C 20 29.549 29.549 29.600 -0.051 25850 6813 1 13 . 1 1 20 20 GLU H H 20 7.898 7.898 7.537 0.361 25850 6814 1 13 . 1 1 21 21 LEU N N 21 116.701 116.701 116.106 0.595 25850 6815 1 13 . 1 1 21 21 LEU HA H 21 4.351 4.351 4.268 0.083 25850 6816 1 13 . 1 1 21 21 LEU C C 21 176.199 176.199 176.783 -0.584 25850 6817 1 13 . 1 1 21 21 LEU CA C 21 54.158 54.158 54.820 -0.662 25850 6818 1 13 . 1 1 21 21 LEU CB C 21 41.776 41.776 42.231 -0.455 25850 6819 1 13 . 1 1 21 21 LEU H H 21 7.393 7.393 7.838 -0.445 25850 6820 1 13 . 1 1 22 22 ASN N N 22 118.557 118.557 115.945 2.612 25850 6821 1 13 . 1 1 22 22 ASN HA H 22 4.278 4.278 4.458 -0.180 25850 6822 1 13 . 1 1 22 22 ASN C C 22 174.436 174.436 174.304 0.132 25850 6823 1 13 . 1 1 22 22 ASN CA C 22 54.104 54.104 54.230 -0.126 25850 6824 1 13 . 1 1 22 22 ASN CB C 22 37.364 37.364 37.964 -0.600 25850 6825 1 13 . 1 1 22 22 ASN H H 22 7.994 7.994 7.702 0.292 25850 6826 1 13 . 1 1 23 23 GLN N N 23 118.344 118.344 118.000 0.344 25850 6827 1 13 . 1 1 23 23 GLN HA H 23 4.557 4.557 4.656 -0.099 25850 6828 1 13 . 1 1 23 23 GLN C C 23 176.685 176.685 176.323 0.362 25850 6829 1 13 . 1 1 23 23 GLN CA C 23 53.983 53.983 54.655 -0.672 25850 6830 1 13 . 1 1 23 23 GLN CB C 23 27.770 27.770 29.347 -1.577 25850 6831 1 13 . 1 1 23 23 GLN H H 23 8.378 8.378 7.827 0.551 25850 6832 1 13 . 1 1 24 24 GLY N N 24 113.071 113.071 114.411 -1.340 25850 6833 1 13 . 1 1 24 24 GLY C C 24 175.286 175.286 175.324 -0.038 25850 6834 1 13 . 1 1 24 24 GLY CA C 24 47.823 47.823 46.766 1.057 25850 6835 1 13 . 1 1 24 24 GLY H H 24 8.468 8.468 8.843 -0.375 25850 6836 1 13 . 1 1 25 25 GLU N N 25 120.717 120.717 121.954 -1.237 25850 6837 1 13 . 1 1 25 25 GLU HA H 25 4.124 4.124 4.094 0.030 25850 6838 1 13 . 1 1 25 25 GLU C C 25 176.495 176.495 178.783 -2.288 25850 6839 1 13 . 1 1 25 25 GLU CA C 25 59.621 59.621 59.071 0.550 25850 6840 1 13 . 1 1 25 25 GLU CB C 25 28.636 28.636 29.142 -0.506 25850 6841 1 13 . 1 1 25 25 GLU H H 25 9.067 9.067 8.210 0.857 25850 6842 1 13 . 1 1 26 26 LEU HA H 26 4.222 4.222 4.114 0.108 25850 6843 1 13 . 1 1 26 26 LEU C C 26 180.590 180.590 179.358 1.232 25850 6844 1 13 . 1 1 26 26 LEU CA C 26 56.882 56.882 57.754 -0.872 25850 6845 1 13 . 1 1 26 26 LEU CB C 26 41.231 41.231 41.623 -0.392 25850 6846 1 13 . 1 1 26 26 LEU H H 26 7.165 7.165 7.410 -0.245 25850 6847 1 13 . 1 1 27 27 MET N N 27 121.053 121.053 118.003 3.050 25850 6848 1 13 . 1 1 27 27 MET HA H 27 3.932 3.932 4.367 -0.435 25850 6849 1 13 . 1 1 27 27 MET CA C 27 59.980 59.980 59.551 0.429 25850 6850 1 13 . 1 1 27 27 MET CB C 27 34.537 34.537 32.252 2.285 25850 6851 1 13 . 1 1 27 27 MET H H 27 8.203 8.203 7.508 0.695 25850 6852 1 13 . 1 1 28 28 GLY N N 28 106.038 106.038 107.261 -1.223 25850 6853 1 13 . 1 1 28 28 GLY C C 28 174.900 174.900 175.653 -0.753 25850 6854 1 13 . 1 1 28 28 GLY CA C 28 47.672 47.672 46.456 1.216 25850 6855 1 13 . 1 1 28 28 GLY H H 28 8.527 8.527 8.315 0.212 25850 6856 1 13 . 1 1 29 29 ARG N N 29 120.201 120.201 122.191 -1.990 25850 6857 1 13 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.154 0.041 25850 6858 1 13 . 1 1 29 29 ARG C C 29 178.065 178.065 178.471 -0.406 25850 6859 1 13 . 1 1 29 29 ARG CA C 29 59.974 59.974 59.426 0.548 25850 6860 1 13 . 1 1 29 29 ARG CB C 29 30.416 30.416 30.178 0.238 25850 6861 1 13 . 1 1 29 29 ARG H H 29 8.224 8.224 8.228 -0.004 25850 6862 1 13 . 1 1 30 30 ALA N N 30 121.394 121.394 122.794 -1.400 25850 6863 1 13 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.091 0.106 25850 6864 1 13 . 1 1 30 30 ALA C C 30 179.433 179.433 179.723 -0.290 25850 6865 1 13 . 1 1 30 30 ALA CA C 30 55.838 55.838 55.118 0.720 25850 6866 1 13 . 1 1 30 30 ALA CB C 30 18.269 18.269 18.323 -0.054 25850 6867 1 13 . 1 1 30 30 ALA H H 30 7.876 7.876 7.862 0.014 25850 6868 1 13 . 1 1 31 31 LEU N N 31 116.122 116.122 118.247 -2.125 25850 6869 1 13 . 1 1 31 31 LEU HA H 31 4.003 4.003 3.858 0.145 25850 6870 1 13 . 1 1 31 31 LEU C C 31 178.416 178.416 178.977 -0.561 25850 6871 1 13 . 1 1 31 31 LEU CA C 31 57.921 57.921 57.504 0.417 25850 6872 1 13 . 1 1 31 31 LEU CB C 31 42.463 42.463 41.707 0.756 25850 6873 1 13 . 1 1 31 31 LEU H H 31 8.084 8.084 7.766 0.318 25850 6874 1 13 . 1 1 32 32 TYR N N 32 119.225 119.225 120.740 -1.515 25850 6875 1 13 . 1 1 32 32 TYR HA H 32 4.063 4.063 4.343 -0.280 25850 6876 1 13 . 1 1 32 32 TYR C C 32 176.310 176.310 177.778 -1.468 25850 6877 1 13 . 1 1 32 32 TYR CA C 32 61.992 61.992 61.971 0.021 25850 6878 1 13 . 1 1 32 32 TYR CB C 32 38.659 38.659 38.561 0.098 25850 6879 1 13 . 1 1 32 32 TYR H H 32 8.562 8.562 8.199 0.363 25850 6880 1 13 . 1 1 33 33 ASN N N 33 116.880 116.880 117.219 -0.339 25850 6881 1 13 . 1 1 33 33 ASN HA H 33 4.068 4.068 4.201 -0.133 25850 6882 1 13 . 1 1 33 33 ASN C C 33 178.353 178.353 177.698 0.655 25850 6883 1 13 . 1 1 33 33 ASN CA C 33 55.858 55.858 56.686 -0.828 25850 6884 1 13 . 1 1 33 33 ASN CB C 33 35.968 35.968 38.064 -2.096 25850 6885 1 13 . 1 1 33 33 ASN H H 33 8.213 8.213 7.934 0.279 25850 6886 1 13 . 1 1 34 34 ILE N N 34 121.401 121.401 120.617 0.784 25850 6887 1 13 . 1 1 34 34 ILE HA H 34 3.300 3.300 3.657 -0.357 25850 6888 1 13 . 1 1 34 34 ILE C C 34 177.867 177.867 177.660 0.207 25850 6889 1 13 . 1 1 34 34 ILE CA C 34 66.528 66.528 65.521 1.007 25850 6890 1 13 . 1 1 34 34 ILE CB C 34 37.839 37.839 37.310 0.528 25850 6891 1 13 . 1 1 34 34 ILE H H 34 8.087 8.087 8.052 0.035 25850 6892 1 13 . 1 1 35 35 GLY N N 35 107.275 107.275 107.570 -0.295 25850 6893 1 13 . 1 1 35 35 GLY C C 35 175.048 175.048 175.806 -0.758 25850 6894 1 13 . 1 1 35 35 GLY CA C 35 48.547 48.547 46.793 1.754 25850 6895 1 13 . 1 1 35 35 GLY H H 35 7.922 7.922 7.904 0.018 25850 6896 1 13 . 1 1 36 36 LEU N N 36 120.414 120.414 121.872 -1.458 25850 6897 1 13 . 1 1 36 36 LEU HA H 36 4.048 4.048 4.067 -0.019 25850 6898 1 13 . 1 1 36 36 LEU C C 36 180.804 180.804 179.790 1.014 25850 6899 1 13 . 1 1 36 36 LEU CA C 36 58.063 58.063 57.500 0.563 25850 6900 1 13 . 1 1 36 36 LEU CB C 36 41.701 41.701 41.603 0.098 25850 6901 1 13 . 1 1 36 36 LEU H H 36 8.177 8.177 7.862 0.315 25850 6902 1 13 . 1 1 37 37 GLU N N 37 120.083 120.083 119.441 0.642 25850 6903 1 13 . 1 1 37 37 GLU HA H 37 4.075 4.075 4.115 -0.040 25850 6904 1 13 . 1 1 37 37 GLU C C 37 179.517 179.517 178.980 0.537 25850 6905 1 13 . 1 1 37 37 GLU CA C 37 58.603 58.603 58.955 -0.352 25850 6906 1 13 . 1 1 37 37 GLU CB C 37 29.799 29.799 28.989 0.810 25850 6907 1 13 . 1 1 37 37 GLU H H 37 7.750 7.750 7.905 -0.155 25850 6908 1 13 . 1 1 38 38 LYS N N 38 118.263 118.263 118.638 -0.375 25850 6909 1 13 . 1 1 38 38 LYS HA H 38 3.862 3.862 3.954 -0.092 25850 6910 1 13 . 1 1 38 38 LYS C C 38 179.253 179.253 178.685 0.568 25850 6911 1 13 . 1 1 38 38 LYS CA C 38 57.937 57.937 58.807 -0.870 25850 6912 1 13 . 1 1 38 38 LYS CB C 38 30.769 30.769 31.727 -0.958 25850 6913 1 13 . 1 1 38 38 LYS H H 38 8.550 8.550 7.879 0.671 25850 6914 1 13 . 1 1 39 39 ASN N N 39 118.329 118.329 117.372 0.957 25850 6915 1 13 . 1 1 39 39 ASN HA H 39 4.193 4.193 4.510 -0.317 25850 6916 1 13 . 1 1 39 39 ASN C C 39 179.428 179.428 178.340 1.088 25850 6917 1 13 . 1 1 39 39 ASN CA C 39 56.177 56.177 55.805 0.372 25850 6918 1 13 . 1 1 39 39 ASN CB C 39 38.478 38.478 38.436 0.042 25850 6919 1 13 . 1 1 39 39 ASN H H 39 8.294 8.294 8.061 0.233 25850 6920 1 13 . 1 1 40 40 LYS N N 40 121.176 121.176 119.030 2.146 25850 6921 1 13 . 1 1 40 40 LYS HA H 40 4.047 4.047 4.145 -0.098 25850 6922 1 13 . 1 1 40 40 LYS C C 40 178.229 178.229 177.321 0.908 25850 6923 1 13 . 1 1 40 40 LYS CA C 40 59.471 59.471 58.892 0.579 25850 6924 1 13 . 1 1 40 40 LYS CB C 40 32.427 32.427 32.618 -0.191 25850 6925 1 13 . 1 1 40 40 LYS H H 40 7.912 7.912 7.569 0.343 25850 6926 1 13 . 1 1 41 41 MET N N 41 114.548 114.548 114.843 -0.295 25850 6927 1 13 . 1 1 41 41 MET HA H 41 4.512 4.512 4.396 0.116 25850 6928 1 13 . 1 1 41 41 MET C C 41 175.915 175.915 176.502 -0.587 25850 6929 1 13 . 1 1 41 41 MET CA C 41 55.529 55.529 55.588 -0.059 25850 6930 1 13 . 1 1 41 41 MET CB C 41 34.022 34.022 32.943 1.079 25850 6931 1 13 . 1 1 41 41 MET H H 41 7.389 7.389 7.259 0.130 25850 6932 1 13 . 1 1 42 42 GLY N N 42 107.409 107.409 106.647 0.762 25850 6933 1 13 . 1 1 42 42 GLY C C 42 175.041 175.041 175.176 -0.135 25850 6934 1 13 . 1 1 42 42 GLY CA C 42 45.335 45.335 45.533 -0.198 25850 6935 1 13 . 1 1 42 42 GLY H H 42 7.929 7.929 7.537 0.392 25850 6936 1 13 . 1 1 43 43 LYS N N 43 124.326 124.326 121.803 2.523 25850 6937 1 13 . 1 1 43 43 LYS HA H 43 4.684 4.684 4.581 0.103 25850 6938 1 13 . 1 1 43 43 LYS C C 43 176.514 176.514 176.124 0.390 25850 6939 1 13 . 1 1 43 43 LYS CA C 43 53.791 53.791 54.115 -0.324 25850 6940 1 13 . 1 1 43 43 LYS CB C 43 30.065 30.065 31.448 -1.383 25850 6941 1 13 . 1 1 43 43 LYS H H 43 8.040 8.040 8.060 -0.020 25850 6942 1 13 . 1 1 44 44 VAL N N 44 121.020 121.020 120.449 0.571 25850 6943 1 13 . 1 1 44 44 VAL HA H 44 3.580 3.580 3.720 -0.140 25850 6944 1 13 . 1 1 44 44 VAL C C 44 177.096 177.096 177.547 -0.451 25850 6945 1 13 . 1 1 44 44 VAL CA C 44 66.166 66.166 65.062 1.104 25850 6946 1 13 . 1 1 44 44 VAL CB C 44 31.869 31.869 31.639 0.230 25850 6947 1 13 . 1 1 44 44 VAL H H 44 7.439 7.439 7.507 -0.068 25850 6948 1 13 . 1 1 45 45 LYS N N 45 119.164 119.164 120.400 -1.236 25850 6949 1 13 . 1 1 45 45 LYS HA H 45 3.950 3.950 3.951 -0.001 25850 6950 1 13 . 1 1 45 45 LYS C C 45 179.726 179.726 178.855 0.871 25850 6951 1 13 . 1 1 45 45 LYS CA C 45 60.153 60.153 59.914 0.239 25850 6952 1 13 . 1 1 45 45 LYS CB C 45 31.446 31.446 31.681 -0.235 25850 6953 1 13 . 1 1 45 45 LYS H H 45 8.427 8.427 8.546 -0.119 25850 6954 1 13 . 1 1 46 46 GLU N N 46 118.446 118.446 119.485 -1.039 25850 6955 1 13 . 1 1 46 46 GLU HA H 46 4.092 4.092 4.147 -0.055 25850 6956 1 13 . 1 1 46 46 GLU C C 46 178.490 178.490 178.766 -0.276 25850 6957 1 13 . 1 1 46 46 GLU CA C 46 59.327 59.327 59.136 0.191 25850 6958 1 13 . 1 1 46 46 GLU CB C 46 29.764 29.764 29.673 0.091 25850 6959 1 13 . 1 1 46 46 GLU H H 46 7.867 7.867 7.704 0.163 25850 6960 1 13 . 1 1 47 47 ALA N N 47 122.279 122.279 122.871 -0.592 25850 6961 1 13 . 1 1 47 47 ALA HA H 47 3.513 3.513 3.653 -0.140 25850 6962 1 13 . 1 1 47 47 ALA C C 47 178.065 178.065 179.020 -0.955 25850 6963 1 13 . 1 1 47 47 ALA CA C 47 55.905 55.905 54.945 0.960 25850 6964 1 13 . 1 1 47 47 ALA CB C 47 18.256 18.256 18.132 0.124 25850 6965 1 13 . 1 1 47 47 ALA H H 47 8.315 8.315 7.523 0.792 25850 6966 1 13 . 1 1 48 48 ILE N N 48 115.863 115.863 117.751 -1.888 25850 6967 1 13 . 1 1 48 48 ILE HA H 48 3.401 3.401 3.431 -0.030 25850 6968 1 13 . 1 1 48 48 ILE C C 48 176.808 176.808 177.892 -1.084 25850 6969 1 13 . 1 1 48 48 ILE CA C 48 66.282 66.282 65.817 0.465 25850 6970 1 13 . 1 1 48 48 ILE CB C 48 38.375 38.375 37.717 0.659 25850 6971 1 13 . 1 1 48 48 ILE H H 48 8.077 8.077 7.974 0.103 25850 6972 1 13 . 1 1 49 49 GLU N N 49 116.853 116.853 118.628 -1.775 25850 6973 1 13 . 1 1 49 49 GLU HA H 49 3.920 3.920 3.898 0.022 25850 6974 1 13 . 1 1 49 49 GLU C C 49 179.914 179.914 179.053 0.861 25850 6975 1 13 . 1 1 49 49 GLU CA C 49 59.535 59.535 59.590 -0.055 25850 6976 1 13 . 1 1 49 49 GLU CB C 49 28.995 28.995 29.103 -0.108 25850 6977 1 13 . 1 1 49 49 GLU H H 49 7.175 7.175 7.738 -0.563 25850 6978 1 13 . 1 1 50 50 TYR N N 50 117.578 117.578 119.542 -1.964 25850 6979 1 13 . 1 1 50 50 TYR HA H 50 3.774 3.774 4.166 -0.392 25850 6980 1 13 . 1 1 50 50 TYR C C 50 178.462 178.462 178.215 0.247 25850 6981 1 13 . 1 1 50 50 TYR CA C 50 64.368 64.368 61.422 2.946 25850 6982 1 13 . 1 1 50 50 TYR CB C 50 37.345 37.345 38.172 -0.827 25850 6983 1 13 . 1 1 50 50 TYR H H 50 7.676 7.676 7.784 -0.107 25850 6984 1 13 . 1 1 51 51 PHE N N 51 119.480 119.480 117.948 1.532 25850 6985 1 13 . 1 1 51 51 PHE HA H 51 4.711 4.711 4.468 0.243 25850 6986 1 13 . 1 1 51 51 PHE C C 51 178.720 178.720 178.079 0.641 25850 6987 1 13 . 1 1 51 51 PHE CA C 51 58.958 58.958 59.653 -0.695 25850 6988 1 13 . 1 1 51 51 PHE CB C 51 37.771 37.771 37.950 -0.179 25850 6989 1 13 . 1 1 51 51 PHE H H 51 9.013 9.013 8.268 0.745 25850 6990 1 13 . 1 1 52 52 LEU N N 52 120.365 120.365 121.041 -0.676 25850 6991 1 13 . 1 1 52 52 LEU HA H 52 4.093 4.093 3.935 0.158 25850 6992 1 13 . 1 1 52 52 LEU C C 52 180.229 180.229 178.992 1.237 25850 6993 1 13 . 1 1 52 52 LEU CA C 52 58.252 58.252 58.375 -0.123 25850 6994 1 13 . 1 1 52 52 LEU CB C 52 42.160 42.160 41.566 0.594 25850 6995 1 13 . 1 1 52 52 LEU H H 52 8.906 8.906 8.483 0.423 25850 6996 1 13 . 1 1 53 53 ARG N N 53 119.294 119.294 118.782 0.512 25850 6997 1 13 . 1 1 53 53 ARG HA H 53 3.929 3.929 3.969 -0.040 25850 6998 1 13 . 1 1 53 53 ARG C C 53 179.087 179.087 178.460 0.627 25850 6999 1 13 . 1 1 53 53 ARG CA C 53 59.580 59.580 59.650 -0.070 25850 7000 1 13 . 1 1 53 53 ARG CB C 53 31.418 31.418 29.946 1.472 25850 7001 1 13 . 1 1 53 53 ARG H H 53 7.846 7.846 8.104 -0.259 25850 7002 1 13 . 1 1 54 54 ALA N N 54 121.351 121.351 121.834 -0.483 25850 7003 1 13 . 1 1 54 54 ALA HA H 54 3.693 3.693 3.904 -0.211 25850 7004 1 13 . 1 1 54 54 ALA C C 54 177.631 177.631 179.079 -1.448 25850 7005 1 13 . 1 1 54 54 ALA CA C 54 55.115 55.115 55.332 -0.217 25850 7006 1 13 . 1 1 54 54 ALA CB C 54 17.612 17.612 18.289 -0.677 25850 7007 1 13 . 1 1 54 54 ALA H H 54 8.892 8.892 8.159 0.733 25850 7008 1 13 . 1 1 55 55 LYS N N 55 117.135 117.135 118.548 -1.413 25850 7009 1 13 . 1 1 55 55 LYS HA H 55 3.835 3.835 4.303 -0.468 25850 7010 1 13 . 1 1 55 55 LYS C C 55 176.970 176.970 178.594 -1.624 25850 7011 1 13 . 1 1 55 55 LYS CA C 55 60.725 60.725 59.666 1.059 25850 7012 1 13 . 1 1 55 55 LYS CB C 55 32.602 32.602 32.420 0.182 25850 7013 1 13 . 1 1 55 55 LYS H H 55 8.626 8.626 8.111 0.515 25850 7014 1 13 . 1 1 56 56 LYS N N 56 116.695 116.695 119.936 -3.241 25850 7015 1 13 . 1 1 56 56 LYS HA H 56 4.171 4.171 4.250 -0.079 25850 7016 1 13 . 1 1 56 56 LYS C C 56 180.037 180.037 179.186 0.851 25850 7017 1 13 . 1 1 56 56 LYS CA C 56 59.606 59.606 59.306 0.300 25850 7018 1 13 . 1 1 56 56 LYS CB C 56 32.349 32.349 32.277 0.072 25850 7019 1 13 . 1 1 56 56 LYS H H 56 7.652 7.652 7.796 -0.144 25850 7020 1 13 . 1 1 57 57 VAL N N 57 120.809 120.809 118.946 1.863 25850 7021 1 13 . 1 1 57 57 VAL HA H 57 3.753 3.753 3.729 0.024 25850 7022 1 13 . 1 1 57 57 VAL C C 57 178.174 178.174 177.847 0.327 25850 7023 1 13 . 1 1 57 57 VAL CA C 57 66.226 66.226 66.052 0.173 25850 7024 1 13 . 1 1 57 57 VAL CB C 57 31.424 31.424 31.377 0.047 25850 7025 1 13 . 1 1 57 57 VAL H H 57 7.583 7.583 7.970 -0.387 25850 7026 1 13 . 1 1 58 58 PHE N N 58 118.864 118.864 119.945 -1.081 25850 7027 1 13 . 1 1 58 58 PHE HA H 58 4.521 4.521 4.178 0.343 25850 7028 1 13 . 1 1 58 58 PHE C C 58 179.187 179.187 177.500 1.687 25850 7029 1 13 . 1 1 58 58 PHE CA C 58 59.849 59.849 61.394 -1.545 25850 7030 1 13 . 1 1 58 58 PHE CB C 58 37.753 37.753 37.933 -0.180 25850 7031 1 13 . 1 1 58 58 PHE H H 58 8.871 8.871 7.994 0.877 25850 7032 1 13 . 1 1 59 59 ASP N N 59 119.714 119.714 118.916 0.798 25850 7033 1 13 . 1 1 59 59 ASP HA H 59 4.444 4.444 4.315 0.129 25850 7034 1 13 . 1 1 59 59 ASP C C 59 180.066 180.066 178.189 1.877 25850 7035 1 13 . 1 1 59 59 ASP CA C 59 57.201 57.201 56.874 0.327 25850 7036 1 13 . 1 1 59 59 ASP CB C 59 39.713 39.713 40.360 -0.647 25850 7037 1 13 . 1 1 59 59 ASP H H 59 9.157 9.157 8.251 0.906 25850 7038 1 13 . 1 1 60 60 ALA N N 60 124.290 124.290 121.855 2.435 25850 7039 1 13 . 1 1 60 60 ALA HA H 60 4.087 4.087 4.087 0.000 25850 7040 1 13 . 1 1 60 60 ALA C C 60 179.389 179.389 178.715 0.674 25850 7041 1 13 . 1 1 60 60 ALA CA C 60 54.760 54.760 54.356 0.404 25850 7042 1 13 . 1 1 60 60 ALA CB C 60 18.025 18.025 18.625 -0.601 25850 7043 1 13 . 1 1 60 60 ALA H H 60 7.742 7.742 7.636 0.106 25850 7044 1 13 . 1 1 61 61 GLU N N 61 114.493 114.493 115.695 -1.202 25850 7045 1 13 . 1 1 61 61 GLU HA H 61 4.259 4.259 4.237 0.022 25850 7046 1 13 . 1 1 61 61 GLU C C 61 175.970 175.970 177.065 -1.095 25850 7047 1 13 . 1 1 61 61 GLU CA C 61 55.049 55.049 56.751 -1.702 25850 7048 1 13 . 1 1 61 61 GLU CB C 61 29.724 29.724 30.200 -0.476 25850 7049 1 13 . 1 1 61 61 GLU H H 61 7.908 7.908 7.877 0.031 25850 7050 1 13 . 1 1 62 62 HIS N N 62 115.130 115.130 113.331 1.799 25850 7051 1 13 . 1 1 62 62 HIS HA H 62 4.264 4.264 4.379 -0.115 25850 7052 1 13 . 1 1 62 62 HIS C C 62 173.916 173.916 174.137 -0.221 25850 7053 1 13 . 1 1 62 62 HIS CA C 62 56.531 56.531 56.943 -0.412 25850 7054 1 13 . 1 1 62 62 HIS CB C 62 26.039 26.039 27.165 -1.125 25850 7055 1 13 . 1 1 62 62 HIS H H 62 7.830 7.830 7.576 0.254 25850 7056 1 13 . 1 1 63 63 ASP N N 63 118.507 118.507 120.183 -1.676 25850 7057 1 13 . 1 1 63 63 ASP HA H 63 4.854 4.854 4.809 0.045 25850 7058 1 13 . 1 1 63 63 ASP C C 63 176.143 176.143 176.382 -0.239 25850 7059 1 13 . 1 1 63 63 ASP CA C 63 52.127 52.127 52.961 -0.834 25850 7060 1 13 . 1 1 63 63 ASP CB C 63 40.068 40.068 40.897 -0.829 25850 7061 1 13 . 1 1 63 63 ASP H H 63 8.521 8.521 8.197 0.324 25850 7062 1 13 . 1 1 64 64 THR N N 64 119.037 119.037 121.739 -2.702 25850 7063 1 13 . 1 1 64 64 THR HA H 64 3.869 3.869 4.038 -0.169 25850 7064 1 13 . 1 1 64 64 THR C C 64 176.814 176.814 175.426 1.388 25850 7065 1 13 . 1 1 64 64 THR CA C 64 65.198 65.198 64.662 0.536 25850 7066 1 13 . 1 1 64 64 THR CB C 64 68.315 68.315 69.013 -0.698 25850 7067 1 13 . 1 1 64 64 THR H H 64 7.907 7.907 8.162 -0.255 25850 7068 1 13 . 1 1 65 65 ASP N N 65 122.892 122.892 120.040 2.852 25850 7069 1 13 . 1 1 65 65 ASP HA H 65 4.287 4.287 4.385 -0.098 25850 7070 1 13 . 1 1 65 65 ASP C C 65 178.326 178.326 177.991 0.335 25850 7071 1 13 . 1 1 65 65 ASP CA C 65 57.350 57.350 57.019 0.331 25850 7072 1 13 . 1 1 65 65 ASP CB C 65 41.121 41.121 40.537 0.584 25850 7073 1 13 . 1 1 65 65 ASP H H 65 8.375 8.375 8.229 0.146 25850 7074 1 13 . 1 1 66 66 GLY N N 66 109.334 109.334 106.882 2.452 25850 7075 1 13 . 1 1 66 66 GLY C C 66 175.861 175.861 175.025 0.836 25850 7076 1 13 . 1 1 66 66 GLY CA C 66 46.136 46.136 45.660 0.476 25850 7077 1 13 . 1 1 66 66 GLY H H 66 8.234 8.234 7.654 0.580 25850 7078 1 13 . 1 1 67 67 ALA N N 67 122.888 122.888 124.861 -1.973 25850 7079 1 13 . 1 1 67 67 ALA HA H 67 3.892 3.892 4.053 -0.161 25850 7080 1 13 . 1 1 67 67 ALA C C 67 179.384 179.384 179.301 0.083 25850 7081 1 13 . 1 1 67 67 ALA CA C 67 55.960 55.960 54.812 1.148 25850 7082 1 13 . 1 1 67 67 ALA CB C 67 18.611 18.611 18.541 0.070 25850 7083 1 13 . 1 1 67 67 ALA H H 67 7.949 7.949 7.529 0.420 25850 7084 1 13 . 1 1 68 68 ARG N N 68 118.221 118.221 116.951 1.270 25850 7085 1 13 . 1 1 68 68 ARG HA H 68 3.993 3.993 4.019 -0.026 25850 7086 1 13 . 1 1 68 68 ARG C C 68 179.355 179.355 178.204 1.151 25850 7087 1 13 . 1 1 68 68 ARG CA C 68 59.234 59.234 59.069 0.165 25850 7088 1 13 . 1 1 68 68 ARG CB C 68 29.799 29.799 29.712 0.087 25850 7089 1 13 . 1 1 68 68 ARG H H 68 7.917 7.917 8.090 -0.173 25850 7090 1 13 . 1 1 69 69 ARG N N 69 120.551 120.551 119.831 0.720 25850 7091 1 13 . 1 1 69 69 ARG HA H 69 3.923 3.923 4.083 -0.160 25850 7092 1 13 . 1 1 69 69 ARG C C 69 179.120 179.120 177.980 1.140 25850 7093 1 13 . 1 1 69 69 ARG CA C 69 59.310 59.310 58.598 0.712 25850 7094 1 13 . 1 1 69 69 ARG CB C 69 29.189 29.189 29.819 -0.630 25850 7095 1 13 . 1 1 69 69 ARG H H 69 7.749 7.749 7.397 0.352 25850 7096 1 13 . 1 1 70 70 ALA N N 70 121.098 121.098 121.247 -0.149 25850 7097 1 13 . 1 1 70 70 ALA HA H 70 4.016 4.016 4.343 -0.327 25850 7098 1 13 . 1 1 70 70 ALA C C 70 178.438 178.438 179.350 -0.912 25850 7099 1 13 . 1 1 70 70 ALA CA C 70 55.536 55.536 54.794 0.742 25850 7100 1 13 . 1 1 70 70 ALA CB C 70 17.216 17.216 18.320 -1.103 25850 7101 1 13 . 1 1 70 70 ALA H H 70 8.245 8.245 7.991 0.254 25850 7102 1 13 . 1 1 71 71 ALA N N 71 119.333 119.333 120.896 -1.563 25850 7103 1 13 . 1 1 71 71 ALA HA H 71 4.047 4.047 4.141 -0.094 25850 7104 1 13 . 1 1 71 71 ALA C C 71 180.219 180.219 179.282 0.937 25850 7105 1 13 . 1 1 71 71 ALA CA C 71 55.083 55.083 54.869 0.214 25850 7106 1 13 . 1 1 71 71 ALA CB C 71 18.198 18.198 18.307 -0.109 25850 7107 1 13 . 1 1 71 71 ALA H H 71 8.565 8.565 7.985 0.580 25850 7108 1 13 . 1 1 72 72 LYS N N 72 121.188 121.188 119.113 2.075 25850 7109 1 13 . 1 1 72 72 LYS HA H 72 4.107 4.107 3.974 0.133 25850 7110 1 13 . 1 1 72 72 LYS C C 72 179.155 179.155 178.330 0.825 25850 7111 1 13 . 1 1 72 72 LYS CA C 72 59.271 59.271 59.557 -0.286 25850 7112 1 13 . 1 1 72 72 LYS CB C 72 31.786 31.786 32.283 -0.497 25850 7113 1 13 . 1 1 72 72 LYS H H 72 8.108 8.108 7.887 0.221 25850 7114 1 13 . 1 1 73 73 SER N N 73 116.976 116.976 114.887 2.089 25850 7115 1 13 . 1 1 73 73 SER HA H 73 3.957 3.957 4.120 -0.163 25850 7116 1 13 . 1 1 73 73 SER C C 73 176.394 176.394 176.490 -0.096 25850 7117 1 13 . 1 1 73 73 SER CA C 73 62.753 62.753 60.520 2.233 25850 7118 1 13 . 1 1 73 73 SER CB C 73 60.718 60.718 62.120 -1.402 25850 7119 1 13 . 1 1 73 73 SER H H 73 8.057 8.057 7.735 0.322 25850 7120 1 13 . 1 1 74 74 LEU N N 74 123.741 123.741 122.343 1.398 25850 7121 1 13 . 1 1 74 74 LEU HA H 74 3.831 3.831 3.919 -0.088 25850 7122 1 13 . 1 1 74 74 LEU C C 74 176.704 176.704 178.439 -1.735 25850 7123 1 13 . 1 1 74 74 LEU CA C 74 58.545 58.545 57.876 0.669 25850 7124 1 13 . 1 1 74 74 LEU CB C 74 41.862 41.862 41.607 0.255 25850 7125 1 13 . 1 1 74 74 LEU H H 74 8.341 8.341 7.788 0.553 25850 7126 1 13 . 1 1 75 75 SER N N 75 113.508 113.508 114.971 -1.463 25850 7127 1 13 . 1 1 75 75 SER HA H 75 4.277 4.277 4.234 0.043 25850 7128 1 13 . 1 1 75 75 SER C C 75 177.668 177.668 177.023 0.645 25850 7129 1 13 . 1 1 75 75 SER CA C 75 61.926 61.926 62.294 -0.368 25850 7130 1 13 . 1 1 75 75 SER CB C 75 62.702 62.702 62.887 -0.185 25850 7131 1 13 . 1 1 75 75 SER H H 75 8.055 8.055 8.051 0.004 25850 7132 1 13 . 1 1 76 76 GLU N N 76 119.999 119.999 120.052 -0.053 25850 7133 1 13 . 1 1 76 76 GLU HA H 76 4.041 4.041 4.117 -0.076 25850 7134 1 13 . 1 1 76 76 GLU C C 76 178.836 178.836 178.682 0.154 25850 7135 1 13 . 1 1 76 76 GLU CA C 76 58.928 58.928 58.745 0.184 25850 7136 1 13 . 1 1 76 76 GLU CB C 76 29.684 29.684 29.243 0.441 25850 7137 1 13 . 1 1 76 76 GLU H H 76 7.874 7.874 7.792 0.082 25850 7138 1 13 . 1 1 77 77 ALA N N 77 123.551 123.551 121.988 1.563 25850 7139 1 13 . 1 1 77 77 ALA HA H 77 4.242 4.242 4.125 0.117 25850 7140 1 13 . 1 1 77 77 ALA C C 77 180.005 180.005 179.805 0.200 25850 7141 1 13 . 1 1 77 77 ALA CA C 77 55.031 55.031 54.748 0.283 25850 7142 1 13 . 1 1 77 77 ALA CB C 77 18.237 18.237 18.281 -0.044 25850 7143 1 13 . 1 1 77 77 ALA H H 77 8.043 8.043 7.597 0.446 25850 7144 1 13 . 1 1 78 78 TYR N N 78 116.371 116.371 118.224 -1.853 25850 7145 1 13 . 1 1 78 78 TYR HA H 78 4.418 4.418 4.150 0.268 25850 7146 1 13 . 1 1 78 78 TYR C C 78 178.901 178.901 178.396 0.505 25850 7147 1 13 . 1 1 78 78 TYR CA C 78 60.302 60.302 61.087 -0.785 25850 7148 1 13 . 1 1 78 78 TYR CB C 78 37.416 37.416 37.879 -0.463 25850 7149 1 13 . 1 1 78 78 TYR H H 78 8.699 8.699 8.287 0.412 25850 7150 1 13 . 1 1 79 79 GLN N N 79 116.649 116.649 117.966 -1.317 25850 7151 1 13 . 1 1 79 79 GLN HA H 79 4.212 4.212 4.212 0.000 25850 7152 1 13 . 1 1 79 79 GLN C C 79 177.778 177.778 178.428 -0.650 25850 7153 1 13 . 1 1 79 79 GLN CA C 79 57.922 57.922 58.726 -0.804 25850 7154 1 13 . 1 1 79 79 GLN CB C 79 28.659 28.659 28.825 -0.166 25850 7155 1 13 . 1 1 79 79 GLN H H 79 7.667 7.667 7.812 -0.145 25850 7156 1 13 . 1 1 80 80 LYS N N 80 118.855 118.855 115.521 3.334 25850 7157 1 13 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.203 0.090 25850 7158 1 13 . 1 1 80 80 LYS C C 80 178.038 178.038 177.307 0.731 25850 7159 1 13 . 1 1 80 80 LYS CA C 80 57.474 57.474 58.537 -1.063 25850 7160 1 13 . 1 1 80 80 LYS CB C 80 32.816 32.816 32.341 0.475 25850 7161 1 13 . 1 1 80 80 LYS H H 80 7.766 7.766 7.469 0.297 25850 7162 1 13 . 1 1 81 81 VAL N N 81 117.863 117.863 117.591 0.272 25850 7163 1 13 . 1 1 81 81 VAL HA H 81 4.076 4.076 4.057 0.019 25850 7164 1 13 . 1 1 81 81 VAL C C 81 176.805 176.805 176.876 -0.071 25850 7165 1 13 . 1 1 81 81 VAL CA C 81 63.409 63.409 62.771 0.638 25850 7166 1 13 . 1 1 81 81 VAL CB C 81 32.423 32.423 31.532 0.891 25850 7167 1 13 . 1 1 81 81 VAL H H 81 7.821 7.821 7.231 0.590 25850 7168 1 13 . 1 1 82 82 GLU N N 82 122.552 122.552 119.759 2.793 25850 7169 1 13 . 1 1 82 82 GLU HA H 82 4.277 4.277 4.433 -0.156 25850 7170 1 13 . 1 1 82 82 GLU C C 82 177.559 177.559 177.866 -0.307 25850 7171 1 13 . 1 1 82 82 GLU CA C 82 57.300 57.300 56.222 1.078 25850 7172 1 13 . 1 1 82 82 GLU CB C 82 29.927 29.927 30.684 -0.757 25850 7173 1 13 . 1 1 82 82 GLU H H 82 8.329 8.329 7.727 0.602 25850 7174 1 13 . 1 1 83 83 GLY N N 83 109.040 109.040 108.978 0.062 25850 7175 1 13 . 1 1 83 83 GLY C C 83 174.590 174.590 174.099 0.491 25850 7176 1 13 . 1 1 83 83 GLY CA C 83 45.530 45.530 45.861 -0.332 25850 7177 1 13 . 1 1 83 83 GLY H H 83 8.309 8.309 8.668 -0.359 25850 7178 1 13 . 1 1 84 84 SER N N 84 115.258 115.258 115.178 0.080 25850 7179 1 13 . 1 1 84 84 SER HA H 84 4.495 4.495 4.544 -0.049 25850 7180 1 13 . 1 1 84 84 SER C C 84 175.217 175.217 174.421 0.796 25850 7181 1 13 . 1 1 84 84 SER CA C 84 58.580 58.580 59.089 -0.509 25850 7182 1 13 . 1 1 84 84 SER CB C 84 63.827 63.827 63.581 0.246 25850 7183 1 13 . 1 1 84 84 SER H H 84 8.180 8.180 8.001 0.179 25850 7184 1 13 . 1 1 85 85 GLY N N 85 110.681 110.681 109.599 1.082 25850 7185 1 13 . 1 1 85 85 GLY C C 85 174.063 174.063 173.787 0.276 25850 7186 1 13 . 1 1 85 85 GLY CA C 85 45.395 45.395 45.263 0.132 25850 7187 1 13 . 1 1 85 85 GLY H H 85 8.472 8.472 7.787 0.685 25850 7188 1 13 . 1 1 86 86 ASP N N 86 120.537 120.537 120.084 0.453 25850 7189 1 13 . 1 1 86 86 ASP HA H 86 4.597 4.597 4.704 -0.107 25850 7190 1 13 . 1 1 86 86 ASP C C 86 176.761 176.761 175.797 0.964 25850 7191 1 13 . 1 1 86 86 ASP CA C 86 54.451 54.451 54.566 -0.116 25850 7192 1 13 . 1 1 86 86 ASP CB C 86 41.069 41.069 40.072 0.997 25850 7193 1 13 . 1 1 86 86 ASP H H 86 8.272 8.272 8.166 0.106 25850 7194 1 13 . 1 1 87 87 LYS N N 87 121.608 121.608 120.559 1.049 25850 7195 1 13 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.543 -0.297 25850 7196 1 13 . 1 1 87 87 LYS C C 87 177.342 177.342 175.301 2.041 25850 7197 1 13 . 1 1 87 87 LYS CA C 87 56.545 56.545 55.864 0.681 25850 7198 1 13 . 1 1 87 87 LYS CB C 87 32.302 32.302 34.493 -2.191 25850 7199 1 13 . 1 1 87 87 LYS H H 87 8.344 8.344 7.751 0.593 25850 7200 1 13 . 1 1 88 88 GLY N N 88 108.711 108.711 110.416 -1.705 25850 7201 1 13 . 1 1 88 88 GLY C C 88 174.216 174.216 172.892 1.324 25850 7202 1 13 . 1 1 88 88 GLY CA C 88 45.339 45.339 45.158 0.181 25850 7203 1 13 . 1 1 88 88 GLY H H 88 8.449 8.449 8.054 0.395 25850 7204 1 13 . 1 1 89 89 LYS N N 89 120.508 120.508 121.350 -0.842 25850 7205 1 13 . 1 1 89 89 LYS HA H 89 4.266 4.266 4.669 -0.403 25850 7206 1 13 . 1 1 89 89 LYS C C 89 176.464 176.464 176.397 0.067 25850 7207 1 13 . 1 1 89 89 LYS CA C 89 56.214 56.214 55.416 0.798 25850 7208 1 13 . 1 1 89 89 LYS CB C 89 32.824 32.824 33.080 -0.255 25850 7209 1 13 . 1 1 89 89 LYS H H 89 7.958 7.958 8.314 -0.356 25850 7210 1 13 . 1 1 90 90 ILE N N 90 121.127 121.127 127.951 -6.824 25850 7211 1 13 . 1 1 90 90 ILE HA H 90 4.091 4.091 4.159 -0.068 25850 7212 1 13 . 1 1 90 90 ILE C C 90 175.896 175.896 175.620 0.276 25850 7213 1 13 . 1 1 90 90 ILE CA C 90 61.022 61.022 60.951 0.071 25850 7214 1 13 . 1 1 90 90 ILE CB C 90 38.488 38.488 37.297 1.191 25850 7215 1 13 . 1 1 90 90 ILE H H 90 8.005 8.005 8.652 -0.647 25850 7216 1 13 . 1 1 91 91 PHE N N 91 123.843 123.843 130.099 -6.256 25850 7217 1 13 . 1 1 91 91 PHE HA H 91 4.615 4.615 4.573 0.042 25850 7218 1 13 . 1 1 91 91 PHE C C 91 175.327 175.327 174.951 0.376 25850 7219 1 13 . 1 1 91 91 PHE CA C 91 57.565 57.565 57.348 0.217 25850 7220 1 13 . 1 1 91 91 PHE CB C 91 39.457 39.457 40.194 -0.737 25850 7221 1 13 . 1 1 91 91 PHE H H 91 8.283 8.283 8.464 -0.181 25850 7222 1 13 . 1 1 92 92 GLN N N 92 122.349 122.349 127.720 -5.371 25850 7223 1 13 . 1 1 92 92 GLN HA H 92 4.296 4.296 4.050 0.246 25850 7224 1 13 . 1 1 92 92 GLN C C 92 175.338 175.338 174.629 0.709 25850 7225 1 13 . 1 1 92 92 GLN CA C 92 55.492 55.492 55.235 0.257 25850 7226 1 13 . 1 1 92 92 GLN CB C 92 29.708 29.708 28.809 0.899 25850 7227 1 13 . 1 1 92 92 GLN H H 92 8.212 8.212 8.261 -0.049 25850 7228 1 13 . 1 1 93 93 LYS N N 93 123.137 123.137 127.467 -4.330 25850 7229 1 13 . 1 1 93 93 LYS HA H 93 4.250 4.250 4.201 0.049 25850 7230 1 13 . 1 1 93 93 LYS C C 93 176.492 176.492 176.213 0.279 25850 7231 1 13 . 1 1 93 93 LYS CA C 93 56.272 56.272 55.661 0.611 25850 7232 1 13 . 1 1 93 93 LYS CB C 93 33.055 33.055 33.156 -0.101 25850 7233 1 13 . 1 1 93 93 LYS H H 93 8.364 8.364 8.339 0.025 25850 7234 1 13 . 1 1 94 94 GLU N N 94 122.671 122.671 123.935 -1.264 25850 7235 1 13 . 1 1 94 94 GLU HA H 94 4.246 4.246 4.470 -0.224 25850 7236 1 13 . 1 1 94 94 GLU C C 94 177.008 177.008 176.383 0.625 25850 7237 1 13 . 1 1 94 94 GLU CA C 94 56.848 56.848 55.889 0.959 25850 7238 1 13 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.465 -0.411 25850 7239 1 13 . 1 1 94 94 GLU H H 94 8.571 8.571 8.590 -0.019 25850 7240 1 13 . 1 1 95 95 GLY N N 95 110.337 110.337 111.066 -0.729 25850 7241 1 13 . 1 1 95 95 GLY C C 95 174.070 174.070 172.958 1.112 25850 7242 1 13 . 1 1 95 95 GLY CA C 95 45.191 45.191 45.026 0.166 25850 7243 1 13 . 1 1 95 95 GLY H H 95 8.490 8.490 8.133 0.357 25850 7244 1 13 . 1 1 96 96 GLU N N 96 120.183 120.183 119.235 0.948 25850 7245 1 13 . 1 1 96 96 GLU HA H 96 4.339 4.339 4.712 -0.373 25850 7246 1 13 . 1 1 96 96 GLU C C 96 176.463 176.463 175.229 1.234 25850 7247 1 13 . 1 1 96 96 GLU CA C 96 56.204 56.204 54.993 1.211 25850 7248 1 13 . 1 1 96 96 GLU CB C 96 30.433 30.433 31.716 -1.283 25850 7249 1 13 . 1 1 96 96 GLU H H 96 8.142 8.142 8.310 -0.168 25850 7250 1 13 . 1 1 97 97 SER N N 97 116.979 116.979 115.066 1.913 25850 7251 1 13 . 1 1 97 97 SER HA H 97 4.472 4.472 4.711 -0.239 25850 7252 1 13 . 1 1 97 97 SER C C 97 174.162 174.162 174.453 -0.291 25850 7253 1 13 . 1 1 97 97 SER CA C 97 58.070 58.070 57.961 0.109 25850 7254 1 13 . 1 1 97 97 SER CB C 97 63.710 63.710 63.853 -0.143 25850 7255 1 13 . 1 1 97 97 SER H H 97 8.381 8.381 8.501 -0.120 25850 7256 1 13 . 1 1 98 98 ILE N N 98 122.626 122.626 119.523 3.103 25850 7257 1 13 . 1 1 98 98 ILE HA H 98 4.201 4.201 4.311 -0.110 25850 7258 1 13 . 1 1 98 98 ILE C C 98 175.921 175.921 175.631 0.290 25850 7259 1 13 . 1 1 98 98 ILE CA C 98 60.947 60.947 61.176 -0.230 25850 7260 1 13 . 1 1 98 98 ILE CB C 98 38.616 38.616 38.345 0.271 25850 7261 1 13 . 1 1 98 98 ILE H H 98 8.216 8.216 7.714 0.502 25850 7262 1 13 . 1 1 99 99 LEU N N 99 126.765 126.765 119.921 6.844 25850 7263 1 13 . 1 1 99 99 LEU HA H 99 4.399 4.399 4.077 0.322 25850 7264 1 13 . 1 1 99 99 LEU C C 99 176.093 176.093 176.701 -0.608 25850 7265 1 13 . 1 1 99 99 LEU CA C 99 54.853 54.853 55.681 -0.828 25850 7266 1 13 . 1 1 99 99 LEU CB C 99 42.135 42.135 41.883 0.252 25850 7267 1 13 . 1 1 99 99 LEU H H 99 8.326 8.326 8.422 -0.096 25850 7268 1 14 . 1 1 2 2 GLY C C 2 173.891 173.891 174.135 -0.244 25850 7269 1 14 . 1 1 2 2 GLY CA C 2 44.831 44.831 45.142 -0.311 25850 7270 1 14 . 1 1 3 3 SER N N 3 117.545 117.545 115.784 1.761 25850 7271 1 14 . 1 1 3 3 SER HA H 3 4.799 4.799 4.688 0.111 25850 7272 1 14 . 1 1 3 3 SER C C 3 173.162 173.162 174.108 -0.946 25850 7273 1 14 . 1 1 3 3 SER CA C 3 56.530 56.530 55.542 0.988 25850 7274 1 14 . 1 1 3 3 SER CB C 3 63.002 63.002 63.723 -0.721 25850 7275 1 14 . 1 1 3 3 SER H H 3 8.428 8.428 7.782 0.646 25850 7276 1 14 . 1 1 4 4 PRO HA H 4 4.644 4.644 4.369 0.275 25850 7277 1 14 . 1 1 4 4 PRO C C 4 178.093 178.093 178.024 0.069 25850 7278 1 14 . 1 1 4 4 PRO CA C 4 65.378 65.378 65.578 -0.200 25850 7279 1 14 . 1 1 4 4 PRO CB C 4 31.965 31.965 31.769 0.196 25850 7280 1 14 . 1 1 5 5 ASP N N 5 115.270 115.270 114.836 0.434 25850 7281 1 14 . 1 1 5 5 ASP HA H 5 4.353 4.353 4.294 0.059 25850 7282 1 14 . 1 1 5 5 ASP C C 5 178.915 178.915 177.954 0.961 25850 7283 1 14 . 1 1 5 5 ASP CA C 5 56.796 56.796 56.807 -0.011 25850 7284 1 14 . 1 1 5 5 ASP CB C 5 40.690 40.690 39.896 0.794 25850 7285 1 14 . 1 1 5 5 ASP H H 5 8.233 8.233 8.729 -0.496 25850 7286 1 14 . 1 1 6 6 GLU N N 6 121.390 121.390 121.131 0.259 25850 7287 1 14 . 1 1 6 6 GLU HA H 6 4.027 4.027 3.963 0.064 25850 7288 1 14 . 1 1 6 6 GLU C C 6 178.836 178.836 178.590 0.246 25850 7289 1 14 . 1 1 6 6 GLU CA C 6 58.594 58.594 59.251 -0.657 25850 7290 1 14 . 1 1 6 6 GLU CB C 6 29.641 29.641 29.409 0.232 25850 7291 1 14 . 1 1 6 6 GLU H H 6 7.770 7.770 7.516 0.254 25850 7292 1 14 . 1 1 7 7 ASN N N 7 119.966 119.966 117.589 2.377 25850 7293 1 14 . 1 1 7 7 ASN HA H 7 4.155 4.155 4.157 -0.002 25850 7294 1 14 . 1 1 7 7 ASN C C 7 176.723 176.723 177.496 -0.773 25850 7295 1 14 . 1 1 7 7 ASN CA C 7 55.007 55.007 55.891 -0.884 25850 7296 1 14 . 1 1 7 7 ASN CB C 7 36.627 36.627 38.218 -1.591 25850 7297 1 14 . 1 1 7 7 ASN H H 7 8.378 8.378 7.654 0.724 25850 7298 1 14 . 1 1 8 8 ILE N N 8 119.915 119.915 120.683 -0.768 25850 7299 1 14 . 1 1 8 8 ILE HA H 8 3.608 3.608 3.746 -0.138 25850 7300 1 14 . 1 1 8 8 ILE CA C 8 66.495 66.495 65.288 1.207 25850 7301 1 14 . 1 1 8 8 ILE CB C 8 37.558 37.558 37.581 -0.023 25850 7302 1 14 . 1 1 8 8 ILE H H 8 8.626 8.626 7.603 1.023 25850 7303 1 14 . 1 1 9 9 ALA N N 9 121.268 121.268 121.385 -0.117 25850 7304 1 14 . 1 1 9 9 ALA HA H 9 4.235 4.235 3.950 0.285 25850 7305 1 14 . 1 1 9 9 ALA C C 9 180.624 180.624 179.274 1.350 25850 7306 1 14 . 1 1 9 9 ALA CA C 9 54.922 54.922 55.476 -0.554 25850 7307 1 14 . 1 1 9 9 ALA CB C 9 17.710 17.710 18.023 -0.314 25850 7308 1 14 . 1 1 9 9 ALA H H 9 7.597 7.597 7.737 -0.140 25850 7309 1 14 . 1 1 10 10 LYS N N 10 118.798 118.798 118.852 -0.054 25850 7310 1 14 . 1 1 10 10 LYS HA H 10 4.011 4.011 4.076 -0.065 25850 7311 1 14 . 1 1 10 10 LYS C C 10 180.034 180.034 179.005 1.029 25850 7312 1 14 . 1 1 10 10 LYS CA C 10 59.264 59.264 58.950 0.314 25850 7313 1 14 . 1 1 10 10 LYS CB C 10 31.744 31.744 32.133 -0.389 25850 7314 1 14 . 1 1 10 10 LYS H H 10 7.569 7.569 7.202 0.367 25850 7315 1 14 . 1 1 11 11 PHE N N 11 121.394 121.394 119.041 2.353 25850 7316 1 14 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.299 0.429 25850 7317 1 14 . 1 1 11 11 PHE C C 11 178.445 178.445 178.323 0.122 25850 7318 1 14 . 1 1 11 11 PHE CA C 11 59.549 59.549 59.481 0.068 25850 7319 1 14 . 1 1 11 11 PHE CB C 11 39.001 39.001 37.983 1.018 25850 7320 1 14 . 1 1 11 11 PHE H H 11 8.347 8.347 7.892 0.455 25850 7321 1 14 . 1 1 12 12 GLU N N 12 121.864 121.864 119.475 2.389 25850 7322 1 14 . 1 1 12 12 GLU HA H 12 4.127 4.127 4.130 -0.003 25850 7323 1 14 . 1 1 12 12 GLU C C 12 179.600 179.600 179.246 0.354 25850 7324 1 14 . 1 1 12 12 GLU CA C 12 59.803 59.803 59.579 0.224 25850 7325 1 14 . 1 1 12 12 GLU CB C 12 29.488 29.488 28.993 0.495 25850 7326 1 14 . 1 1 12 12 GLU H H 12 9.184 9.184 8.149 1.035 25850 7327 1 14 . 1 1 13 13 LYS N N 13 120.472 120.472 119.283 1.189 25850 7328 1 14 . 1 1 13 13 LYS HA H 13 4.127 4.127 4.153 -0.026 25850 7329 1 14 . 1 1 13 13 LYS C C 13 179.120 179.120 179.055 0.065 25850 7330 1 14 . 1 1 13 13 LYS CA C 13 59.308 59.308 58.755 0.553 25850 7331 1 14 . 1 1 13 13 LYS CB C 13 32.147 32.147 32.117 0.030 25850 7332 1 14 . 1 1 13 13 LYS H H 13 7.800 7.800 7.523 0.277 25850 7333 1 14 . 1 1 14 14 ALA N N 14 122.753 122.753 121.390 1.363 25850 7334 1 14 . 1 1 14 14 ALA HA H 14 4.205 4.205 4.213 -0.008 25850 7335 1 14 . 1 1 14 14 ALA C C 14 180.640 180.640 179.760 0.880 25850 7336 1 14 . 1 1 14 14 ALA CA C 14 54.756 54.756 54.772 -0.016 25850 7337 1 14 . 1 1 14 14 ALA CB C 14 17.913 17.913 18.244 -0.331 25850 7338 1 14 . 1 1 14 14 ALA H H 14 8.001 8.001 8.180 -0.179 25850 7339 1 14 . 1 1 15 15 TYR HA H 15 3.850 3.850 4.167 -0.317 25850 7340 1 14 . 1 1 15 15 TYR C C 15 175.898 175.898 177.431 -1.533 25850 7341 1 14 . 1 1 15 15 TYR CA C 15 62.008 62.008 61.663 0.345 25850 7342 1 14 . 1 1 15 15 TYR CB C 15 37.756 37.756 38.570 -0.814 25850 7343 1 14 . 1 1 15 15 TYR H H 15 8.906 8.906 8.003 0.903 25850 7344 1 14 . 1 1 16 16 LYS N N 16 119.082 119.082 118.251 0.831 25850 7345 1 14 . 1 1 16 16 LYS HA H 16 3.985 3.985 3.872 0.113 25850 7346 1 14 . 1 1 16 16 LYS C C 16 179.068 179.068 178.803 0.265 25850 7347 1 14 . 1 1 16 16 LYS CA C 16 58.622 58.622 59.931 -1.309 25850 7348 1 14 . 1 1 16 16 LYS CB C 16 32.131 32.131 32.214 -0.083 25850 7349 1 14 . 1 1 16 16 LYS H H 16 8.059 8.059 7.990 0.069 25850 7350 1 14 . 1 1 17 17 LYS N N 17 119.708 119.708 119.656 0.052 25850 7351 1 14 . 1 1 17 17 LYS HA H 17 4.142 4.142 4.029 0.113 25850 7352 1 14 . 1 1 17 17 LYS CA C 17 57.951 57.951 58.682 -0.731 25850 7353 1 14 . 1 1 17 17 LYS CB C 17 31.802 31.802 32.073 -0.271 25850 7354 1 14 . 1 1 17 17 LYS H H 17 7.900 7.900 7.772 0.128 25850 7355 1 14 . 1 1 18 18 ALA N N 18 120.860 120.860 121.333 -0.473 25850 7356 1 14 . 1 1 18 18 ALA HA H 18 4.329 4.329 3.989 0.340 25850 7357 1 14 . 1 1 18 18 ALA C C 18 179.572 179.572 179.312 0.260 25850 7358 1 14 . 1 1 18 18 ALA CA C 18 54.110 54.110 55.147 -1.037 25850 7359 1 14 . 1 1 18 18 ALA CB C 18 18.782 18.782 18.006 0.776 25850 7360 1 14 . 1 1 18 18 ALA H H 18 7.854 7.854 7.762 0.092 25850 7361 1 14 . 1 1 19 19 GLU N N 19 120.904 120.904 118.872 2.032 25850 7362 1 14 . 1 1 19 19 GLU HA H 19 4.240 4.240 3.869 0.371 25850 7363 1 14 . 1 1 19 19 GLU C C 19 180.268 180.268 179.575 0.693 25850 7364 1 14 . 1 1 19 19 GLU CA C 19 59.147 59.147 58.938 0.209 25850 7365 1 14 . 1 1 19 19 GLU CB C 19 29.889 29.889 29.519 0.370 25850 7366 1 14 . 1 1 19 19 GLU H H 19 8.690 8.690 7.913 0.777 25850 7367 1 14 . 1 1 20 20 GLU N N 20 120.868 120.868 119.783 1.085 25850 7368 1 14 . 1 1 20 20 GLU HA H 20 4.024 4.024 4.072 -0.048 25850 7369 1 14 . 1 1 20 20 GLU C C 20 177.975 177.975 178.532 -0.557 25850 7370 1 14 . 1 1 20 20 GLU CA C 20 58.935 58.935 58.756 0.179 25850 7371 1 14 . 1 1 20 20 GLU CB C 20 29.549 29.549 29.365 0.184 25850 7372 1 14 . 1 1 20 20 GLU H H 20 7.898 7.898 7.793 0.105 25850 7373 1 14 . 1 1 21 21 LEU N N 21 116.701 116.701 116.497 0.204 25850 7374 1 14 . 1 1 21 21 LEU HA H 21 4.351 4.351 4.343 0.008 25850 7375 1 14 . 1 1 21 21 LEU C C 21 176.199 176.199 176.600 -0.401 25850 7376 1 14 . 1 1 21 21 LEU CA C 21 54.158 54.158 54.479 -0.321 25850 7377 1 14 . 1 1 21 21 LEU CB C 21 41.776 41.776 42.152 -0.376 25850 7378 1 14 . 1 1 21 21 LEU H H 21 7.393 7.393 7.519 -0.126 25850 7379 1 14 . 1 1 22 22 ASN N N 22 118.557 118.557 116.167 2.390 25850 7380 1 14 . 1 1 22 22 ASN HA H 22 4.278 4.278 4.418 -0.140 25850 7381 1 14 . 1 1 22 22 ASN C C 22 174.436 174.436 174.603 -0.167 25850 7382 1 14 . 1 1 22 22 ASN CA C 22 54.104 54.104 54.075 0.029 25850 7383 1 14 . 1 1 22 22 ASN CB C 22 37.364 37.364 37.998 -0.634 25850 7384 1 14 . 1 1 22 22 ASN H H 22 7.994 7.994 7.738 0.256 25850 7385 1 14 . 1 1 23 23 GLN N N 23 118.344 118.344 117.825 0.519 25850 7386 1 14 . 1 1 23 23 GLN HA H 23 4.557 4.557 4.492 0.065 25850 7387 1 14 . 1 1 23 23 GLN C C 23 176.685 176.685 176.406 0.279 25850 7388 1 14 . 1 1 23 23 GLN CA C 23 53.983 53.983 54.828 -0.845 25850 7389 1 14 . 1 1 23 23 GLN CB C 23 27.770 27.770 27.475 0.295 25850 7390 1 14 . 1 1 23 23 GLN H H 23 8.378 8.378 7.922 0.456 25850 7391 1 14 . 1 1 24 24 GLY N N 24 113.071 113.071 112.944 0.127 25850 7392 1 14 . 1 1 24 24 GLY C C 24 175.286 175.286 175.557 -0.271 25850 7393 1 14 . 1 1 24 24 GLY CA C 24 47.823 47.823 46.584 1.239 25850 7394 1 14 . 1 1 24 24 GLY H H 24 8.468 8.468 8.742 -0.274 25850 7395 1 14 . 1 1 25 25 GLU N N 25 120.717 120.717 121.234 -0.517 25850 7396 1 14 . 1 1 25 25 GLU HA H 25 4.124 4.124 4.304 -0.180 25850 7397 1 14 . 1 1 25 25 GLU C C 25 176.495 176.495 178.334 -1.839 25850 7398 1 14 . 1 1 25 25 GLU CA C 25 59.621 59.621 59.827 -0.206 25850 7399 1 14 . 1 1 25 25 GLU CB C 25 28.636 28.636 29.516 -0.880 25850 7400 1 14 . 1 1 25 25 GLU H H 25 9.067 9.067 7.971 1.096 25850 7401 1 14 . 1 1 26 26 LEU HA H 26 4.222 4.222 4.142 0.080 25850 7402 1 14 . 1 1 26 26 LEU C C 26 180.590 180.590 179.524 1.066 25850 7403 1 14 . 1 1 26 26 LEU CA C 26 56.882 56.882 57.604 -0.722 25850 7404 1 14 . 1 1 26 26 LEU CB C 26 41.231 41.231 41.947 -0.716 25850 7405 1 14 . 1 1 26 26 LEU H H 26 7.165 7.165 8.020 -0.855 25850 7406 1 14 . 1 1 27 27 MET N N 27 121.053 121.053 117.727 3.326 25850 7407 1 14 . 1 1 27 27 MET HA H 27 3.932 3.932 4.153 -0.221 25850 7408 1 14 . 1 1 27 27 MET CA C 27 59.980 59.980 59.800 0.180 25850 7409 1 14 . 1 1 27 27 MET CB C 27 34.537 34.537 32.252 2.285 25850 7410 1 14 . 1 1 27 27 MET H H 27 8.203 8.203 8.180 0.023 25850 7411 1 14 . 1 1 28 28 GLY N N 28 106.038 106.038 106.959 -0.921 25850 7412 1 14 . 1 1 28 28 GLY C C 28 174.900 174.900 175.959 -1.059 25850 7413 1 14 . 1 1 28 28 GLY CA C 28 47.672 47.672 46.661 1.011 25850 7414 1 14 . 1 1 28 28 GLY H H 28 8.527 8.527 8.041 0.486 25850 7415 1 14 . 1 1 29 29 ARG N N 29 120.201 120.201 121.901 -1.700 25850 7416 1 14 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.294 -0.099 25850 7417 1 14 . 1 1 29 29 ARG C C 29 178.065 178.065 178.538 -0.473 25850 7418 1 14 . 1 1 29 29 ARG CA C 29 59.974 59.974 59.083 0.891 25850 7419 1 14 . 1 1 29 29 ARG CB C 29 30.416 30.416 30.291 0.125 25850 7420 1 14 . 1 1 29 29 ARG H H 29 8.224 8.224 8.343 -0.119 25850 7421 1 14 . 1 1 30 30 ALA N N 30 121.394 121.394 123.527 -2.133 25850 7422 1 14 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.018 0.179 25850 7423 1 14 . 1 1 30 30 ALA C C 30 179.433 179.433 179.659 -0.226 25850 7424 1 14 . 1 1 30 30 ALA CA C 30 55.838 55.838 55.152 0.686 25850 7425 1 14 . 1 1 30 30 ALA CB C 30 18.269 18.269 18.266 0.003 25850 7426 1 14 . 1 1 30 30 ALA H H 30 7.876 7.876 7.910 -0.034 25850 7427 1 14 . 1 1 31 31 LEU N N 31 116.122 116.122 118.212 -2.090 25850 7428 1 14 . 1 1 31 31 LEU HA H 31 4.003 4.003 3.920 0.083 25850 7429 1 14 . 1 1 31 31 LEU C C 31 178.416 178.416 179.254 -0.838 25850 7430 1 14 . 1 1 31 31 LEU CA C 31 57.921 57.921 57.698 0.223 25850 7431 1 14 . 1 1 31 31 LEU CB C 31 42.463 42.463 41.959 0.504 25850 7432 1 14 . 1 1 31 31 LEU H H 31 8.084 8.084 7.935 0.149 25850 7433 1 14 . 1 1 32 32 TYR N N 32 119.225 119.225 120.333 -1.108 25850 7434 1 14 . 1 1 32 32 TYR HA H 32 4.063 4.063 4.354 -0.291 25850 7435 1 14 . 1 1 32 32 TYR C C 32 176.310 176.310 177.794 -1.484 25850 7436 1 14 . 1 1 32 32 TYR CA C 32 61.992 61.992 61.618 0.374 25850 7437 1 14 . 1 1 32 32 TYR CB C 32 38.659 38.659 38.410 0.249 25850 7438 1 14 . 1 1 32 32 TYR H H 32 8.562 8.562 8.506 0.056 25850 7439 1 14 . 1 1 33 33 ASN N N 33 116.880 116.880 117.606 -0.726 25850 7440 1 14 . 1 1 33 33 ASN HA H 33 4.068 4.068 4.150 -0.082 25850 7441 1 14 . 1 1 33 33 ASN C C 33 178.353 178.353 177.440 0.913 25850 7442 1 14 . 1 1 33 33 ASN CA C 33 55.858 55.858 56.222 -0.364 25850 7443 1 14 . 1 1 33 33 ASN CB C 33 35.968 35.968 38.166 -2.198 25850 7444 1 14 . 1 1 33 33 ASN H H 33 8.213 8.213 8.018 0.195 25850 7445 1 14 . 1 1 34 34 ILE N N 34 121.401 121.401 120.780 0.621 25850 7446 1 14 . 1 1 34 34 ILE HA H 34 3.300 3.300 3.667 -0.367 25850 7447 1 14 . 1 1 34 34 ILE C C 34 177.867 177.867 177.717 0.150 25850 7448 1 14 . 1 1 34 34 ILE CA C 34 66.528 66.528 65.482 1.046 25850 7449 1 14 . 1 1 34 34 ILE CB C 34 37.839 37.839 37.274 0.565 25850 7450 1 14 . 1 1 34 34 ILE H H 34 8.087 8.087 7.791 0.296 25850 7451 1 14 . 1 1 35 35 GLY N N 35 107.275 107.275 107.645 -0.370 25850 7452 1 14 . 1 1 35 35 GLY C C 35 175.048 175.048 175.870 -0.822 25850 7453 1 14 . 1 1 35 35 GLY CA C 35 48.547 48.547 46.854 1.693 25850 7454 1 14 . 1 1 35 35 GLY H H 35 7.922 7.922 8.004 -0.082 25850 7455 1 14 . 1 1 36 36 LEU N N 36 120.414 120.414 122.157 -1.743 25850 7456 1 14 . 1 1 36 36 LEU HA H 36 4.048 4.048 3.951 0.097 25850 7457 1 14 . 1 1 36 36 LEU C C 36 180.804 180.804 179.251 1.553 25850 7458 1 14 . 1 1 36 36 LEU CA C 36 58.063 58.063 57.830 0.233 25850 7459 1 14 . 1 1 36 36 LEU CB C 36 41.701 41.701 41.573 0.128 25850 7460 1 14 . 1 1 36 36 LEU H H 36 8.177 8.177 7.871 0.306 25850 7461 1 14 . 1 1 37 37 GLU N N 37 120.083 120.083 118.473 1.610 25850 7462 1 14 . 1 1 37 37 GLU HA H 37 4.075 4.075 4.025 0.050 25850 7463 1 14 . 1 1 37 37 GLU C C 37 179.517 179.517 179.487 0.030 25850 7464 1 14 . 1 1 37 37 GLU CA C 37 58.603 58.603 59.347 -0.744 25850 7465 1 14 . 1 1 37 37 GLU CB C 37 29.799 29.799 29.055 0.744 25850 7466 1 14 . 1 1 37 37 GLU H H 37 7.750 7.750 8.137 -0.387 25850 7467 1 14 . 1 1 38 38 LYS N N 38 118.263 118.263 118.760 -0.497 25850 7468 1 14 . 1 1 38 38 LYS HA H 38 3.862 3.862 4.076 -0.214 25850 7469 1 14 . 1 1 38 38 LYS C C 38 179.253 179.253 178.557 0.696 25850 7470 1 14 . 1 1 38 38 LYS CA C 38 57.937 57.937 58.998 -1.061 25850 7471 1 14 . 1 1 38 38 LYS CB C 38 30.769 30.769 32.243 -1.474 25850 7472 1 14 . 1 1 38 38 LYS H H 38 8.550 8.550 7.949 0.601 25850 7473 1 14 . 1 1 39 39 ASN N N 39 118.329 118.329 118.050 0.279 25850 7474 1 14 . 1 1 39 39 ASN HA H 39 4.193 4.193 4.464 -0.271 25850 7475 1 14 . 1 1 39 39 ASN C C 39 179.428 179.428 177.485 1.943 25850 7476 1 14 . 1 1 39 39 ASN CA C 39 56.177 56.177 56.151 0.026 25850 7477 1 14 . 1 1 39 39 ASN CB C 39 38.478 38.478 38.609 -0.131 25850 7478 1 14 . 1 1 39 39 ASN H H 39 8.294 8.294 8.092 0.202 25850 7479 1 14 . 1 1 40 40 LYS N N 40 121.176 121.176 119.180 1.996 25850 7480 1 14 . 1 1 40 40 LYS HA H 40 4.047 4.047 4.090 -0.043 25850 7481 1 14 . 1 1 40 40 LYS C C 40 178.229 178.229 178.361 -0.132 25850 7482 1 14 . 1 1 40 40 LYS CA C 40 59.471 59.471 57.809 1.662 25850 7483 1 14 . 1 1 40 40 LYS CB C 40 32.427 32.427 32.031 0.396 25850 7484 1 14 . 1 1 40 40 LYS H H 40 7.912 7.912 7.765 0.147 25850 7485 1 14 . 1 1 41 41 MET N N 41 114.548 114.548 115.567 -1.019 25850 7486 1 14 . 1 1 41 41 MET HA H 41 4.512 4.512 4.383 0.129 25850 7487 1 14 . 1 1 41 41 MET C C 41 175.915 175.915 177.143 -1.228 25850 7488 1 14 . 1 1 41 41 MET CA C 41 55.529 55.529 56.556 -1.027 25850 7489 1 14 . 1 1 41 41 MET CB C 41 34.022 34.022 33.177 0.845 25850 7490 1 14 . 1 1 41 41 MET H H 41 7.389 7.389 7.626 -0.237 25850 7491 1 14 . 1 1 42 42 GLY N N 42 107.409 107.409 106.143 1.266 25850 7492 1 14 . 1 1 42 42 GLY C C 42 175.041 175.041 174.748 0.293 25850 7493 1 14 . 1 1 42 42 GLY CA C 42 45.335 45.335 45.077 0.258 25850 7494 1 14 . 1 1 42 42 GLY H H 42 7.929 7.929 7.686 0.243 25850 7495 1 14 . 1 1 43 43 LYS N N 43 124.326 124.326 122.841 1.485 25850 7496 1 14 . 1 1 43 43 LYS HA H 43 4.684 4.684 4.382 0.302 25850 7497 1 14 . 1 1 43 43 LYS C C 43 176.514 176.514 176.323 0.191 25850 7498 1 14 . 1 1 43 43 LYS CA C 43 53.791 53.791 55.170 -1.379 25850 7499 1 14 . 1 1 43 43 LYS CB C 43 30.065 30.065 31.128 -1.063 25850 7500 1 14 . 1 1 43 43 LYS H H 43 8.040 8.040 8.011 0.029 25850 7501 1 14 . 1 1 44 44 VAL N N 44 121.020 121.020 122.753 -1.733 25850 7502 1 14 . 1 1 44 44 VAL HA H 44 3.580 3.580 3.606 -0.026 25850 7503 1 14 . 1 1 44 44 VAL C C 44 177.096 177.096 177.402 -0.306 25850 7504 1 14 . 1 1 44 44 VAL CA C 44 66.166 66.166 66.414 -0.248 25850 7505 1 14 . 1 1 44 44 VAL CB C 44 31.869 31.869 31.793 0.076 25850 7506 1 14 . 1 1 44 44 VAL H H 44 7.439 7.439 7.969 -0.530 25850 7507 1 14 . 1 1 45 45 LYS N N 45 119.164 119.164 119.221 -0.057 25850 7508 1 14 . 1 1 45 45 LYS HA H 45 3.950 3.950 3.952 -0.002 25850 7509 1 14 . 1 1 45 45 LYS C C 45 179.726 179.726 178.787 0.939 25850 7510 1 14 . 1 1 45 45 LYS CA C 45 60.153 60.153 59.335 0.818 25850 7511 1 14 . 1 1 45 45 LYS CB C 45 31.446 31.446 31.297 0.149 25850 7512 1 14 . 1 1 45 45 LYS H H 45 8.427 8.427 8.745 -0.318 25850 7513 1 14 . 1 1 46 46 GLU N N 46 118.446 118.446 119.351 -0.905 25850 7514 1 14 . 1 1 46 46 GLU HA H 46 4.092 4.092 4.270 -0.178 25850 7515 1 14 . 1 1 46 46 GLU C C 46 178.490 178.490 178.680 -0.190 25850 7516 1 14 . 1 1 46 46 GLU CA C 46 59.327 59.327 59.187 0.140 25850 7517 1 14 . 1 1 46 46 GLU CB C 46 29.764 29.764 29.315 0.449 25850 7518 1 14 . 1 1 46 46 GLU H H 46 7.867 7.867 8.217 -0.350 25850 7519 1 14 . 1 1 47 47 ALA N N 47 122.279 122.279 122.956 -0.677 25850 7520 1 14 . 1 1 47 47 ALA HA H 47 3.513 3.513 3.755 -0.242 25850 7521 1 14 . 1 1 47 47 ALA C C 47 178.065 178.065 178.909 -0.844 25850 7522 1 14 . 1 1 47 47 ALA CA C 47 55.905 55.905 54.969 0.936 25850 7523 1 14 . 1 1 47 47 ALA CB C 47 18.256 18.256 18.164 0.092 25850 7524 1 14 . 1 1 47 47 ALA H H 47 8.315 8.315 7.748 0.567 25850 7525 1 14 . 1 1 48 48 ILE N N 48 115.863 115.863 118.335 -2.472 25850 7526 1 14 . 1 1 48 48 ILE HA H 48 3.401 3.401 3.439 -0.038 25850 7527 1 14 . 1 1 48 48 ILE C C 48 176.808 176.808 177.953 -1.145 25850 7528 1 14 . 1 1 48 48 ILE CA C 48 66.282 66.282 65.548 0.734 25850 7529 1 14 . 1 1 48 48 ILE CB C 48 38.375 38.375 37.700 0.675 25850 7530 1 14 . 1 1 48 48 ILE H H 48 8.077 8.077 7.762 0.315 25850 7531 1 14 . 1 1 49 49 GLU N N 49 116.853 116.853 119.013 -2.160 25850 7532 1 14 . 1 1 49 49 GLU HA H 49 3.920 3.920 3.776 0.144 25850 7533 1 14 . 1 1 49 49 GLU C C 49 179.914 179.914 179.108 0.806 25850 7534 1 14 . 1 1 49 49 GLU CA C 49 59.535 59.535 59.718 -0.183 25850 7535 1 14 . 1 1 49 49 GLU CB C 49 28.995 28.995 29.230 -0.235 25850 7536 1 14 . 1 1 49 49 GLU H H 49 7.175 7.175 7.525 -0.350 25850 7537 1 14 . 1 1 50 50 TYR N N 50 117.578 117.578 118.608 -1.030 25850 7538 1 14 . 1 1 50 50 TYR HA H 50 3.774 3.774 4.214 -0.440 25850 7539 1 14 . 1 1 50 50 TYR C C 50 178.462 178.462 178.283 0.179 25850 7540 1 14 . 1 1 50 50 TYR CA C 50 64.368 64.368 61.206 3.162 25850 7541 1 14 . 1 1 50 50 TYR CB C 50 37.345 37.345 38.168 -0.823 25850 7542 1 14 . 1 1 50 50 TYR H H 50 7.676 7.676 7.572 0.104 25850 7543 1 14 . 1 1 51 51 PHE N N 51 119.480 119.480 118.063 1.417 25850 7544 1 14 . 1 1 51 51 PHE HA H 51 4.711 4.711 4.508 0.203 25850 7545 1 14 . 1 1 51 51 PHE C C 51 178.720 178.720 178.062 0.658 25850 7546 1 14 . 1 1 51 51 PHE CA C 51 58.958 58.958 59.501 -0.543 25850 7547 1 14 . 1 1 51 51 PHE CB C 51 37.771 37.771 37.889 -0.118 25850 7548 1 14 . 1 1 51 51 PHE H H 51 9.013 9.013 7.934 1.079 25850 7549 1 14 . 1 1 52 52 LEU N N 52 120.365 120.365 120.711 -0.346 25850 7550 1 14 . 1 1 52 52 LEU HA H 52 4.093 4.093 3.989 0.104 25850 7551 1 14 . 1 1 52 52 LEU C C 52 180.229 180.229 179.058 1.171 25850 7552 1 14 . 1 1 52 52 LEU CA C 52 58.252 58.252 58.523 -0.271 25850 7553 1 14 . 1 1 52 52 LEU CB C 52 42.160 42.160 41.482 0.678 25850 7554 1 14 . 1 1 52 52 LEU H H 52 8.906 8.906 8.515 0.391 25850 7555 1 14 . 1 1 53 53 ARG N N 53 119.294 119.294 118.734 0.560 25850 7556 1 14 . 1 1 53 53 ARG HA H 53 3.929 3.929 3.963 -0.034 25850 7557 1 14 . 1 1 53 53 ARG C C 53 179.087 179.087 178.474 0.613 25850 7558 1 14 . 1 1 53 53 ARG CA C 53 59.580 59.580 59.632 -0.052 25850 7559 1 14 . 1 1 53 53 ARG CB C 53 31.418 31.418 29.951 1.467 25850 7560 1 14 . 1 1 53 53 ARG H H 53 7.846 7.846 7.929 -0.083 25850 7561 1 14 . 1 1 54 54 ALA N N 54 121.351 121.351 122.175 -0.824 25850 7562 1 14 . 1 1 54 54 ALA HA H 54 3.693 3.693 3.869 -0.176 25850 7563 1 14 . 1 1 54 54 ALA C C 54 177.631 177.631 178.996 -1.365 25850 7564 1 14 . 1 1 54 54 ALA CA C 54 55.115 55.115 55.440 -0.325 25850 7565 1 14 . 1 1 54 54 ALA CB C 54 17.612 17.612 18.413 -0.801 25850 7566 1 14 . 1 1 54 54 ALA H H 54 8.892 8.892 8.320 0.572 25850 7567 1 14 . 1 1 55 55 LYS N N 55 117.135 117.135 118.728 -1.593 25850 7568 1 14 . 1 1 55 55 LYS HA H 55 3.835 3.835 4.143 -0.308 25850 7569 1 14 . 1 1 55 55 LYS C C 55 176.970 176.970 178.662 -1.692 25850 7570 1 14 . 1 1 55 55 LYS CA C 55 60.725 60.725 59.842 0.883 25850 7571 1 14 . 1 1 55 55 LYS CB C 55 32.602 32.602 32.343 0.259 25850 7572 1 14 . 1 1 55 55 LYS H H 55 8.626 8.626 8.077 0.549 25850 7573 1 14 . 1 1 56 56 LYS N N 56 116.695 116.695 119.686 -2.991 25850 7574 1 14 . 1 1 56 56 LYS HA H 56 4.171 4.171 4.086 0.085 25850 7575 1 14 . 1 1 56 56 LYS C C 56 180.037 180.037 179.096 0.941 25850 7576 1 14 . 1 1 56 56 LYS CA C 56 59.606 59.606 59.435 0.171 25850 7577 1 14 . 1 1 56 56 LYS CB C 56 32.349 32.349 32.475 -0.126 25850 7578 1 14 . 1 1 56 56 LYS H H 56 7.652 7.652 7.716 -0.064 25850 7579 1 14 . 1 1 57 57 VAL N N 57 120.809 120.809 119.123 1.686 25850 7580 1 14 . 1 1 57 57 VAL HA H 57 3.753 3.753 3.615 0.138 25850 7581 1 14 . 1 1 57 57 VAL C C 57 178.174 178.174 177.966 0.208 25850 7582 1 14 . 1 1 57 57 VAL CA C 57 66.226 66.226 66.093 0.133 25850 7583 1 14 . 1 1 57 57 VAL CB C 57 31.424 31.424 31.624 -0.200 25850 7584 1 14 . 1 1 57 57 VAL H H 57 7.583 7.583 7.857 -0.274 25850 7585 1 14 . 1 1 58 58 PHE N N 58 118.864 118.864 119.502 -0.638 25850 7586 1 14 . 1 1 58 58 PHE HA H 58 4.521 4.521 4.222 0.299 25850 7587 1 14 . 1 1 58 58 PHE C C 58 179.187 179.187 178.067 1.120 25850 7588 1 14 . 1 1 58 58 PHE CA C 58 59.849 59.849 60.839 -0.990 25850 7589 1 14 . 1 1 58 58 PHE CB C 58 37.753 37.753 38.115 -0.362 25850 7590 1 14 . 1 1 58 58 PHE H H 58 8.871 8.871 8.010 0.861 25850 7591 1 14 . 1 1 59 59 ASP N N 59 119.714 119.714 119.111 0.603 25850 7592 1 14 . 1 1 59 59 ASP HA H 59 4.444 4.444 4.259 0.185 25850 7593 1 14 . 1 1 59 59 ASP C C 59 180.066 180.066 178.143 1.923 25850 7594 1 14 . 1 1 59 59 ASP CA C 59 57.201 57.201 57.132 0.069 25850 7595 1 14 . 1 1 59 59 ASP CB C 59 39.713 39.713 40.861 -1.148 25850 7596 1 14 . 1 1 59 59 ASP H H 59 9.157 9.157 8.243 0.914 25850 7597 1 14 . 1 1 60 60 ALA N N 60 124.290 124.290 121.308 2.982 25850 7598 1 14 . 1 1 60 60 ALA HA H 60 4.087 4.087 4.026 0.061 25850 7599 1 14 . 1 1 60 60 ALA C C 60 179.389 179.389 178.850 0.539 25850 7600 1 14 . 1 1 60 60 ALA CA C 60 54.760 54.760 54.495 0.265 25850 7601 1 14 . 1 1 60 60 ALA CB C 60 18.025 18.025 18.806 -0.781 25850 7602 1 14 . 1 1 60 60 ALA H H 60 7.742 7.742 7.645 0.097 25850 7603 1 14 . 1 1 61 61 GLU N N 61 114.493 114.493 114.948 -0.455 25850 7604 1 14 . 1 1 61 61 GLU HA H 61 4.259 4.259 4.325 -0.066 25850 7605 1 14 . 1 1 61 61 GLU C C 61 175.970 175.970 175.985 -0.015 25850 7606 1 14 . 1 1 61 61 GLU CA C 61 55.049 55.049 56.422 -1.373 25850 7607 1 14 . 1 1 61 61 GLU CB C 61 29.724 29.724 29.982 -0.258 25850 7608 1 14 . 1 1 61 61 GLU H H 61 7.908 7.908 7.563 0.345 25850 7609 1 14 . 1 1 62 62 HIS N N 62 115.130 115.130 112.910 2.220 25850 7610 1 14 . 1 1 62 62 HIS HA H 62 4.264 4.264 4.431 -0.167 25850 7611 1 14 . 1 1 62 62 HIS C C 62 173.916 173.916 174.364 -0.448 25850 7612 1 14 . 1 1 62 62 HIS CA C 62 56.531 56.531 56.853 -0.322 25850 7613 1 14 . 1 1 62 62 HIS CB C 62 26.039 26.039 27.564 -1.526 25850 7614 1 14 . 1 1 62 62 HIS H H 62 7.830 7.830 7.347 0.483 25850 7615 1 14 . 1 1 63 63 ASP N N 63 118.507 118.507 120.427 -1.920 25850 7616 1 14 . 1 1 63 63 ASP HA H 63 4.854 4.854 4.844 0.010 25850 7617 1 14 . 1 1 63 63 ASP C C 63 176.143 176.143 176.393 -0.250 25850 7618 1 14 . 1 1 63 63 ASP CA C 63 52.127 52.127 52.962 -0.835 25850 7619 1 14 . 1 1 63 63 ASP CB C 63 40.068 40.068 40.400 -0.332 25850 7620 1 14 . 1 1 63 63 ASP H H 63 8.521 8.521 8.235 0.286 25850 7621 1 14 . 1 1 64 64 THR N N 64 119.037 119.037 120.657 -1.620 25850 7622 1 14 . 1 1 64 64 THR HA H 64 3.869 3.869 3.981 -0.112 25850 7623 1 14 . 1 1 64 64 THR C C 64 176.814 176.814 175.567 1.247 25850 7624 1 14 . 1 1 64 64 THR CA C 64 65.198 65.198 65.487 -0.289 25850 7625 1 14 . 1 1 64 64 THR CB C 64 68.315 68.315 68.869 -0.554 25850 7626 1 14 . 1 1 64 64 THR H H 64 7.907 7.907 7.958 -0.051 25850 7627 1 14 . 1 1 65 65 ASP N N 65 122.892 122.892 120.686 2.206 25850 7628 1 14 . 1 1 65 65 ASP HA H 65 4.287 4.287 4.351 -0.064 25850 7629 1 14 . 1 1 65 65 ASP C C 65 178.326 178.326 178.205 0.121 25850 7630 1 14 . 1 1 65 65 ASP CA C 65 57.350 57.350 57.177 0.173 25850 7631 1 14 . 1 1 65 65 ASP CB C 65 41.121 41.121 40.365 0.755 25850 7632 1 14 . 1 1 65 65 ASP H H 65 8.375 8.375 8.291 0.084 25850 7633 1 14 . 1 1 66 66 GLY N N 66 109.334 109.334 106.361 2.973 25850 7634 1 14 . 1 1 66 66 GLY C C 66 175.861 175.861 175.205 0.656 25850 7635 1 14 . 1 1 66 66 GLY CA C 66 46.136 46.136 45.900 0.236 25850 7636 1 14 . 1 1 66 66 GLY H H 66 8.234 8.234 7.424 0.810 25850 7637 1 14 . 1 1 67 67 ALA N N 67 122.888 122.888 124.519 -1.631 25850 7638 1 14 . 1 1 67 67 ALA HA H 67 3.892 3.892 4.000 -0.108 25850 7639 1 14 . 1 1 67 67 ALA C C 67 179.384 179.384 179.573 -0.189 25850 7640 1 14 . 1 1 67 67 ALA CA C 67 55.960 55.960 54.572 1.388 25850 7641 1 14 . 1 1 67 67 ALA CB C 67 18.611 18.611 18.578 0.033 25850 7642 1 14 . 1 1 67 67 ALA H H 67 7.949 7.949 7.493 0.456 25850 7643 1 14 . 1 1 68 68 ARG N N 68 118.221 118.221 117.365 0.856 25850 7644 1 14 . 1 1 68 68 ARG HA H 68 3.993 3.993 4.023 -0.030 25850 7645 1 14 . 1 1 68 68 ARG C C 68 179.355 179.355 178.862 0.493 25850 7646 1 14 . 1 1 68 68 ARG CA C 68 59.234 59.234 59.298 -0.064 25850 7647 1 14 . 1 1 68 68 ARG CB C 68 29.799 29.799 30.055 -0.256 25850 7648 1 14 . 1 1 68 68 ARG H H 68 7.917 7.917 8.050 -0.133 25850 7649 1 14 . 1 1 69 69 ARG N N 69 120.551 120.551 119.145 1.406 25850 7650 1 14 . 1 1 69 69 ARG HA H 69 3.923 3.923 3.987 -0.064 25850 7651 1 14 . 1 1 69 69 ARG C C 69 179.120 179.120 178.353 0.767 25850 7652 1 14 . 1 1 69 69 ARG CA C 69 59.310 59.310 59.146 0.164 25850 7653 1 14 . 1 1 69 69 ARG CB C 69 29.189 29.189 29.554 -0.365 25850 7654 1 14 . 1 1 69 69 ARG H H 69 7.749 7.749 7.284 0.465 25850 7655 1 14 . 1 1 70 70 ALA N N 70 121.098 121.098 121.695 -0.597 25850 7656 1 14 . 1 1 70 70 ALA HA H 70 4.016 4.016 4.209 -0.193 25850 7657 1 14 . 1 1 70 70 ALA C C 70 178.438 178.438 179.171 -0.733 25850 7658 1 14 . 1 1 70 70 ALA CA C 70 55.536 55.536 54.644 0.892 25850 7659 1 14 . 1 1 70 70 ALA CB C 70 17.216 17.216 18.172 -0.956 25850 7660 1 14 . 1 1 70 70 ALA H H 70 8.245 8.245 7.629 0.616 25850 7661 1 14 . 1 1 71 71 ALA N N 71 119.333 119.333 120.850 -1.517 25850 7662 1 14 . 1 1 71 71 ALA HA H 71 4.047 4.047 4.110 -0.063 25850 7663 1 14 . 1 1 71 71 ALA C C 71 180.219 180.219 179.333 0.886 25850 7664 1 14 . 1 1 71 71 ALA CA C 71 55.083 55.083 54.836 0.247 25850 7665 1 14 . 1 1 71 71 ALA CB C 71 18.198 18.198 18.218 -0.020 25850 7666 1 14 . 1 1 71 71 ALA H H 71 8.565 8.565 7.968 0.597 25850 7667 1 14 . 1 1 72 72 LYS N N 72 121.188 121.188 119.722 1.466 25850 7668 1 14 . 1 1 72 72 LYS HA H 72 4.107 4.107 4.009 0.098 25850 7669 1 14 . 1 1 72 72 LYS C C 72 179.155 179.155 178.654 0.501 25850 7670 1 14 . 1 1 72 72 LYS CA C 72 59.271 59.271 59.528 -0.257 25850 7671 1 14 . 1 1 72 72 LYS CB C 72 31.786 31.786 32.361 -0.575 25850 7672 1 14 . 1 1 72 72 LYS H H 72 8.108 8.108 7.824 0.284 25850 7673 1 14 . 1 1 73 73 SER N N 73 116.976 116.976 115.659 1.317 25850 7674 1 14 . 1 1 73 73 SER HA H 73 3.957 3.957 4.050 -0.093 25850 7675 1 14 . 1 1 73 73 SER C C 73 176.394 176.394 176.826 -0.432 25850 7676 1 14 . 1 1 73 73 SER CA C 73 62.753 62.753 61.660 1.093 25850 7677 1 14 . 1 1 73 73 SER CB C 73 60.718 60.718 62.443 -1.725 25850 7678 1 14 . 1 1 73 73 SER H H 73 8.057 8.057 7.685 0.372 25850 7679 1 14 . 1 1 74 74 LEU N N 74 123.741 123.741 122.754 0.987 25850 7680 1 14 . 1 1 74 74 LEU HA H 74 3.831 3.831 3.891 -0.060 25850 7681 1 14 . 1 1 74 74 LEU C C 74 176.704 176.704 178.328 -1.624 25850 7682 1 14 . 1 1 74 74 LEU CA C 74 58.545 58.545 57.989 0.556 25850 7683 1 14 . 1 1 74 74 LEU CB C 74 41.862 41.862 41.669 0.193 25850 7684 1 14 . 1 1 74 74 LEU H H 74 8.341 8.341 8.025 0.316 25850 7685 1 14 . 1 1 75 75 SER N N 75 113.508 113.508 114.916 -1.408 25850 7686 1 14 . 1 1 75 75 SER HA H 75 4.277 4.277 4.173 0.104 25850 7687 1 14 . 1 1 75 75 SER C C 75 177.668 177.668 176.883 0.785 25850 7688 1 14 . 1 1 75 75 SER CA C 75 61.926 61.926 61.813 0.113 25850 7689 1 14 . 1 1 75 75 SER CB C 75 62.702 62.702 62.913 -0.212 25850 7690 1 14 . 1 1 75 75 SER H H 75 8.055 8.055 7.974 0.081 25850 7691 1 14 . 1 1 76 76 GLU N N 76 119.999 119.999 120.671 -0.672 25850 7692 1 14 . 1 1 76 76 GLU HA H 76 4.041 4.041 4.067 -0.026 25850 7693 1 14 . 1 1 76 76 GLU C C 76 178.836 178.836 178.780 0.056 25850 7694 1 14 . 1 1 76 76 GLU CA C 76 58.928 58.928 59.157 -0.229 25850 7695 1 14 . 1 1 76 76 GLU CB C 76 29.684 29.684 29.629 0.055 25850 7696 1 14 . 1 1 76 76 GLU H H 76 7.874 7.874 7.948 -0.074 25850 7697 1 14 . 1 1 77 77 ALA N N 77 123.551 123.551 122.120 1.431 25850 7698 1 14 . 1 1 77 77 ALA HA H 77 4.242 4.242 4.130 0.112 25850 7699 1 14 . 1 1 77 77 ALA C C 77 180.005 180.005 180.026 -0.021 25850 7700 1 14 . 1 1 77 77 ALA CA C 77 55.031 55.031 55.033 -0.002 25850 7701 1 14 . 1 1 77 77 ALA CB C 77 18.237 18.237 18.281 -0.044 25850 7702 1 14 . 1 1 77 77 ALA H H 77 8.043 8.043 7.586 0.457 25850 7703 1 14 . 1 1 78 78 TYR N N 78 116.371 116.371 118.090 -1.719 25850 7704 1 14 . 1 1 78 78 TYR HA H 78 4.418 4.418 4.206 0.212 25850 7705 1 14 . 1 1 78 78 TYR C C 78 178.901 178.901 178.525 0.376 25850 7706 1 14 . 1 1 78 78 TYR CA C 78 60.302 60.302 60.494 -0.192 25850 7707 1 14 . 1 1 78 78 TYR CB C 78 37.416 37.416 37.604 -0.188 25850 7708 1 14 . 1 1 78 78 TYR H H 78 8.699 8.699 8.263 0.436 25850 7709 1 14 . 1 1 79 79 GLN N N 79 116.649 116.649 118.854 -2.205 25850 7710 1 14 . 1 1 79 79 GLN HA H 79 4.212 4.212 4.315 -0.103 25850 7711 1 14 . 1 1 79 79 GLN C C 79 177.778 177.778 178.475 -0.697 25850 7712 1 14 . 1 1 79 79 GLN CA C 79 57.922 57.922 59.039 -1.117 25850 7713 1 14 . 1 1 79 79 GLN CB C 79 28.659 28.659 28.539 0.120 25850 7714 1 14 . 1 1 79 79 GLN H H 79 7.667 7.667 7.929 -0.262 25850 7715 1 14 . 1 1 80 80 LYS N N 80 118.855 118.855 119.609 -0.754 25850 7716 1 14 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.123 0.170 25850 7717 1 14 . 1 1 80 80 LYS C C 80 178.038 178.038 179.441 -1.403 25850 7718 1 14 . 1 1 80 80 LYS CA C 80 57.474 57.474 59.221 -1.747 25850 7719 1 14 . 1 1 80 80 LYS CB C 80 32.816 32.816 32.234 0.582 25850 7720 1 14 . 1 1 80 80 LYS H H 80 7.766 7.766 7.451 0.315 25850 7721 1 14 . 1 1 81 81 VAL N N 81 117.863 117.863 119.730 -1.867 25850 7722 1 14 . 1 1 81 81 VAL HA H 81 4.076 4.076 3.720 0.356 25850 7723 1 14 . 1 1 81 81 VAL C C 81 176.805 176.805 177.654 -0.849 25850 7724 1 14 . 1 1 81 81 VAL CA C 81 63.409 63.409 65.651 -2.242 25850 7725 1 14 . 1 1 81 81 VAL CB C 81 32.423 32.423 31.889 0.534 25850 7726 1 14 . 1 1 81 81 VAL H H 81 7.821 7.821 7.917 -0.096 25850 7727 1 14 . 1 1 82 82 GLU N N 82 122.552 122.552 119.026 3.526 25850 7728 1 14 . 1 1 82 82 GLU HA H 82 4.277 4.277 4.200 0.077 25850 7729 1 14 . 1 1 82 82 GLU C C 82 177.559 177.559 177.532 0.027 25850 7730 1 14 . 1 1 82 82 GLU CA C 82 57.300 57.300 57.501 -0.201 25850 7731 1 14 . 1 1 82 82 GLU CB C 82 29.927 29.927 30.221 -0.294 25850 7732 1 14 . 1 1 82 82 GLU H H 82 8.329 8.329 8.019 0.310 25850 7733 1 14 . 1 1 83 83 GLY N N 83 109.040 109.040 109.196 -0.156 25850 7734 1 14 . 1 1 83 83 GLY C C 83 174.590 174.590 173.576 1.014 25850 7735 1 14 . 1 1 83 83 GLY CA C 83 45.530 45.530 44.515 1.015 25850 7736 1 14 . 1 1 83 83 GLY H H 83 8.309 8.309 7.717 0.592 25850 7737 1 14 . 1 1 84 84 SER N N 84 115.258 115.258 118.322 -3.064 25850 7738 1 14 . 1 1 84 84 SER HA H 84 4.495 4.495 4.627 -0.132 25850 7739 1 14 . 1 1 84 84 SER C C 84 175.217 175.217 175.040 0.177 25850 7740 1 14 . 1 1 84 84 SER CA C 84 58.580 58.580 57.512 1.068 25850 7741 1 14 . 1 1 84 84 SER CB C 84 63.827 63.827 62.657 1.169 25850 7742 1 14 . 1 1 84 84 SER H H 84 8.180 8.180 7.875 0.305 25850 7743 1 14 . 1 1 85 85 GLY N N 85 110.681 110.681 114.185 -3.504 25850 7744 1 14 . 1 1 85 85 GLY C C 85 174.063 174.063 174.247 -0.184 25850 7745 1 14 . 1 1 85 85 GLY CA C 85 45.395 45.395 44.526 0.869 25850 7746 1 14 . 1 1 85 85 GLY H H 85 8.472 8.472 7.745 0.727 25850 7747 1 14 . 1 1 86 86 ASP N N 86 120.537 120.537 121.265 -0.728 25850 7748 1 14 . 1 1 86 86 ASP HA H 86 4.597 4.597 4.591 0.006 25850 7749 1 14 . 1 1 86 86 ASP C C 86 176.761 176.761 177.024 -0.263 25850 7750 1 14 . 1 1 86 86 ASP CA C 86 54.451 54.451 54.112 0.339 25850 7751 1 14 . 1 1 86 86 ASP CB C 86 41.069 41.069 42.578 -1.509 25850 7752 1 14 . 1 1 86 86 ASP H H 86 8.272 8.272 8.141 0.131 25850 7753 1 14 . 1 1 87 87 LYS N N 87 121.608 121.608 123.422 -1.814 25850 7754 1 14 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.311 -0.065 25850 7755 1 14 . 1 1 87 87 LYS C C 87 177.342 177.342 176.151 1.191 25850 7756 1 14 . 1 1 87 87 LYS CA C 87 56.545 56.545 56.413 0.133 25850 7757 1 14 . 1 1 87 87 LYS CB C 87 32.302 32.302 30.882 1.420 25850 7758 1 14 . 1 1 87 87 LYS H H 87 8.344 8.344 8.529 -0.185 25850 7759 1 14 . 1 1 88 88 GLY N N 88 108.711 108.711 112.368 -3.657 25850 7760 1 14 . 1 1 88 88 GLY C C 88 174.216 174.216 172.653 1.563 25850 7761 1 14 . 1 1 88 88 GLY CA C 88 45.339 45.339 45.415 -0.076 25850 7762 1 14 . 1 1 88 88 GLY H H 88 8.449 8.449 7.766 0.683 25850 7763 1 14 . 1 1 89 89 LYS N N 89 120.508 120.508 121.270 -0.762 25850 7764 1 14 . 1 1 89 89 LYS HA H 89 4.266 4.266 4.066 0.200 25850 7765 1 14 . 1 1 89 89 LYS C C 89 176.464 176.464 176.414 0.050 25850 7766 1 14 . 1 1 89 89 LYS CA C 89 56.214 56.214 56.324 -0.110 25850 7767 1 14 . 1 1 89 89 LYS CB C 89 32.824 32.824 32.868 -0.044 25850 7768 1 14 . 1 1 89 89 LYS H H 89 7.958 7.958 7.993 -0.035 25850 7769 1 14 . 1 1 90 90 ILE N N 90 121.127 121.127 121.861 -0.734 25850 7770 1 14 . 1 1 90 90 ILE HA H 90 4.091 4.091 4.074 0.017 25850 7771 1 14 . 1 1 90 90 ILE C C 90 175.896 175.896 174.582 1.314 25850 7772 1 14 . 1 1 90 90 ILE CA C 90 61.022 61.022 60.140 0.882 25850 7773 1 14 . 1 1 90 90 ILE CB C 90 38.488 38.488 35.317 3.171 25850 7774 1 14 . 1 1 90 90 ILE H H 90 8.005 8.005 7.470 0.535 25850 7775 1 14 . 1 1 91 91 PHE N N 91 123.843 123.843 126.698 -2.855 25850 7776 1 14 . 1 1 91 91 PHE HA H 91 4.615 4.615 4.734 -0.119 25850 7777 1 14 . 1 1 91 91 PHE C C 91 175.327 175.327 175.276 0.051 25850 7778 1 14 . 1 1 91 91 PHE CA C 91 57.565 57.565 56.899 0.666 25850 7779 1 14 . 1 1 91 91 PHE CB C 91 39.457 39.457 40.089 -0.632 25850 7780 1 14 . 1 1 91 91 PHE H H 91 8.283 8.283 7.967 0.316 25850 7781 1 14 . 1 1 92 92 GLN N N 92 122.349 122.349 124.798 -2.449 25850 7782 1 14 . 1 1 92 92 GLN HA H 92 4.296 4.296 4.438 -0.142 25850 7783 1 14 . 1 1 92 92 GLN C C 92 175.338 175.338 175.617 -0.279 25850 7784 1 14 . 1 1 92 92 GLN CA C 92 55.492 55.492 55.616 -0.124 25850 7785 1 14 . 1 1 92 92 GLN CB C 92 29.708 29.708 29.383 0.325 25850 7786 1 14 . 1 1 92 92 GLN H H 92 8.212 8.212 8.717 -0.505 25850 7787 1 14 . 1 1 93 93 LYS N N 93 123.137 123.137 126.460 -3.323 25850 7788 1 14 . 1 1 93 93 LYS HA H 93 4.250 4.250 4.413 -0.163 25850 7789 1 14 . 1 1 93 93 LYS C C 93 176.492 176.492 176.611 -0.119 25850 7790 1 14 . 1 1 93 93 LYS CA C 93 56.272 56.272 55.684 0.588 25850 7791 1 14 . 1 1 93 93 LYS CB C 93 33.055 33.055 33.160 -0.105 25850 7792 1 14 . 1 1 93 93 LYS H H 93 8.364 8.364 8.590 -0.226 25850 7793 1 14 . 1 1 94 94 GLU N N 94 122.671 122.671 122.521 0.150 25850 7794 1 14 . 1 1 94 94 GLU HA H 94 4.246 4.246 4.380 -0.134 25850 7795 1 14 . 1 1 94 94 GLU C C 94 177.008 177.008 177.194 -0.186 25850 7796 1 14 . 1 1 94 94 GLU CA C 94 56.848 56.848 56.053 0.795 25850 7797 1 14 . 1 1 94 94 GLU CB C 94 30.054 30.054 29.143 0.911 25850 7798 1 14 . 1 1 94 94 GLU H H 94 8.571 8.571 8.679 -0.108 25850 7799 1 14 . 1 1 95 95 GLY N N 95 110.337 110.337 112.124 -1.787 25850 7800 1 14 . 1 1 95 95 GLY C C 95 174.070 174.070 174.722 -0.652 25850 7801 1 14 . 1 1 95 95 GLY CA C 95 45.191 45.191 45.545 -0.354 25850 7802 1 14 . 1 1 95 95 GLY H H 95 8.490 8.490 8.421 0.069 25850 7803 1 14 . 1 1 96 96 GLU N N 96 120.183 120.183 118.969 1.214 25850 7804 1 14 . 1 1 96 96 GLU HA H 96 4.339 4.339 4.442 -0.103 25850 7805 1 14 . 1 1 96 96 GLU C C 96 176.463 176.463 175.075 1.388 25850 7806 1 14 . 1 1 96 96 GLU CA C 96 56.204 56.204 55.184 1.020 25850 7807 1 14 . 1 1 96 96 GLU CB C 96 30.433 30.433 31.116 -0.683 25850 7808 1 14 . 1 1 96 96 GLU H H 96 8.142 8.142 7.659 0.483 25850 7809 1 14 . 1 1 97 97 SER N N 97 116.979 116.979 116.448 0.531 25850 7810 1 14 . 1 1 97 97 SER HA H 97 4.472 4.472 4.127 0.345 25850 7811 1 14 . 1 1 97 97 SER C C 97 174.162 174.162 173.770 0.392 25850 7812 1 14 . 1 1 97 97 SER CA C 97 58.070 58.070 58.788 -0.718 25850 7813 1 14 . 1 1 97 97 SER CB C 97 63.710 63.710 62.140 1.570 25850 7814 1 14 . 1 1 97 97 SER H H 97 8.381 8.381 8.555 -0.174 25850 7815 1 14 . 1 1 98 98 ILE N N 98 122.626 122.626 123.196 -0.570 25850 7816 1 14 . 1 1 98 98 ILE HA H 98 4.201 4.201 4.162 0.039 25850 7817 1 14 . 1 1 98 98 ILE C C 98 175.921 175.921 176.535 -0.614 25850 7818 1 14 . 1 1 98 98 ILE CA C 98 60.947 60.947 61.516 -0.569 25850 7819 1 14 . 1 1 98 98 ILE CB C 98 38.616 38.616 38.128 0.488 25850 7820 1 14 . 1 1 98 98 ILE H H 98 8.216 8.216 8.308 -0.092 25850 7821 1 14 . 1 1 99 99 LEU N N 99 126.765 126.765 126.185 0.580 25850 7822 1 14 . 1 1 99 99 LEU HA H 99 4.399 4.399 4.031 0.368 25850 7823 1 14 . 1 1 99 99 LEU C C 99 176.093 176.093 177.423 -1.330 25850 7824 1 14 . 1 1 99 99 LEU CA C 99 54.853 54.853 55.391 -0.537 25850 7825 1 14 . 1 1 99 99 LEU CB C 99 42.135 42.135 41.906 0.229 25850 7826 1 14 . 1 1 99 99 LEU H H 99 8.326 8.326 8.260 0.066 25850 7827 1 15 . 1 1 2 2 GLY C C 2 173.891 173.891 173.602 0.289 25850 7828 1 15 . 1 1 2 2 GLY CA C 2 44.831 44.831 44.555 0.276 25850 7829 1 15 . 1 1 3 3 SER N N 3 117.545 117.545 116.631 0.914 25850 7830 1 15 . 1 1 3 3 SER HA H 3 4.799 4.799 4.727 0.072 25850 7831 1 15 . 1 1 3 3 SER C C 3 173.162 173.162 174.694 -1.532 25850 7832 1 15 . 1 1 3 3 SER CA C 3 56.530 56.530 56.339 0.191 25850 7833 1 15 . 1 1 3 3 SER CB C 3 63.002 63.002 62.960 0.042 25850 7834 1 15 . 1 1 3 3 SER H H 3 8.428 8.428 8.493 -0.065 25850 7835 1 15 . 1 1 4 4 PRO HA H 4 4.644 4.644 4.472 0.172 25850 7836 1 15 . 1 1 4 4 PRO C C 4 178.093 178.093 178.621 -0.528 25850 7837 1 15 . 1 1 4 4 PRO CA C 4 65.378 65.378 65.337 0.041 25850 7838 1 15 . 1 1 4 4 PRO CB C 4 31.965 31.965 32.100 -0.135 25850 7839 1 15 . 1 1 5 5 ASP N N 5 115.270 115.270 116.258 -0.988 25850 7840 1 15 . 1 1 5 5 ASP HA H 5 4.353 4.353 4.394 -0.041 25850 7841 1 15 . 1 1 5 5 ASP C C 5 178.915 178.915 177.758 1.157 25850 7842 1 15 . 1 1 5 5 ASP CA C 5 56.796 56.796 56.882 -0.086 25850 7843 1 15 . 1 1 5 5 ASP CB C 5 40.690 40.690 40.767 -0.077 25850 7844 1 15 . 1 1 5 5 ASP H H 5 8.233 8.233 8.609 -0.376 25850 7845 1 15 . 1 1 6 6 GLU N N 6 121.390 121.390 119.515 1.875 25850 7846 1 15 . 1 1 6 6 GLU HA H 6 4.027 4.027 4.019 0.008 25850 7847 1 15 . 1 1 6 6 GLU C C 6 178.836 178.836 178.170 0.666 25850 7848 1 15 . 1 1 6 6 GLU CA C 6 58.594 58.594 58.870 -0.276 25850 7849 1 15 . 1 1 6 6 GLU CB C 6 29.641 29.641 29.660 -0.019 25850 7850 1 15 . 1 1 6 6 GLU H H 6 7.770 7.770 7.729 0.041 25850 7851 1 15 . 1 1 7 7 ASN N N 7 119.966 119.966 118.151 1.815 25850 7852 1 15 . 1 1 7 7 ASN HA H 7 4.155 4.155 4.297 -0.142 25850 7853 1 15 . 1 1 7 7 ASN C C 7 176.723 176.723 177.647 -0.924 25850 7854 1 15 . 1 1 7 7 ASN CA C 7 55.007 55.007 55.726 -0.719 25850 7855 1 15 . 1 1 7 7 ASN CB C 7 36.627 36.627 38.169 -1.542 25850 7856 1 15 . 1 1 7 7 ASN H H 7 8.378 8.378 7.870 0.508 25850 7857 1 15 . 1 1 8 8 ILE N N 8 119.915 119.915 120.639 -0.724 25850 7858 1 15 . 1 1 8 8 ILE HA H 8 3.608 3.608 3.815 -0.207 25850 7859 1 15 . 1 1 8 8 ILE CA C 8 66.495 66.495 65.635 0.860 25850 7860 1 15 . 1 1 8 8 ILE CB C 8 37.558 37.558 37.575 -0.018 25850 7861 1 15 . 1 1 8 8 ILE H H 8 8.626 8.626 8.142 0.484 25850 7862 1 15 . 1 1 9 9 ALA N N 9 121.268 121.268 121.064 0.204 25850 7863 1 15 . 1 1 9 9 ALA HA H 9 4.235 4.235 4.196 0.039 25850 7864 1 15 . 1 1 9 9 ALA C C 9 180.624 180.624 179.522 1.102 25850 7865 1 15 . 1 1 9 9 ALA CA C 9 54.922 54.922 54.925 -0.003 25850 7866 1 15 . 1 1 9 9 ALA CB C 9 17.710 17.710 18.198 -0.488 25850 7867 1 15 . 1 1 9 9 ALA H H 9 7.597 7.597 7.682 -0.085 25850 7868 1 15 . 1 1 10 10 LYS N N 10 118.798 118.798 118.848 -0.050 25850 7869 1 15 . 1 1 10 10 LYS HA H 10 4.011 4.011 4.051 -0.040 25850 7870 1 15 . 1 1 10 10 LYS C C 10 180.034 180.034 178.868 1.166 25850 7871 1 15 . 1 1 10 10 LYS CA C 10 59.264 59.264 58.773 0.491 25850 7872 1 15 . 1 1 10 10 LYS CB C 10 31.744 31.744 32.146 -0.402 25850 7873 1 15 . 1 1 10 10 LYS H H 10 7.569 7.569 7.249 0.320 25850 7874 1 15 . 1 1 11 11 PHE N N 11 121.394 121.394 118.425 2.969 25850 7875 1 15 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.298 0.430 25850 7876 1 15 . 1 1 11 11 PHE C C 11 178.445 178.445 178.494 -0.049 25850 7877 1 15 . 1 1 11 11 PHE CA C 11 59.549 59.549 60.585 -1.036 25850 7878 1 15 . 1 1 11 11 PHE CB C 11 39.001 39.001 38.396 0.605 25850 7879 1 15 . 1 1 11 11 PHE H H 11 8.347 8.347 7.810 0.537 25850 7880 1 15 . 1 1 12 12 GLU N N 12 121.864 121.864 119.399 2.465 25850 7881 1 15 . 1 1 12 12 GLU HA H 12 4.127 4.127 4.129 -0.002 25850 7882 1 15 . 1 1 12 12 GLU C C 12 179.600 179.600 178.848 0.752 25850 7883 1 15 . 1 1 12 12 GLU CA C 12 59.803 59.803 59.374 0.429 25850 7884 1 15 . 1 1 12 12 GLU CB C 12 29.488 29.488 29.262 0.226 25850 7885 1 15 . 1 1 12 12 GLU H H 12 9.184 9.184 8.635 0.549 25850 7886 1 15 . 1 1 13 13 LYS N N 13 120.472 120.472 120.287 0.185 25850 7887 1 15 . 1 1 13 13 LYS HA H 13 4.127 4.127 4.147 -0.020 25850 7888 1 15 . 1 1 13 13 LYS C C 13 179.120 179.120 178.750 0.370 25850 7889 1 15 . 1 1 13 13 LYS CA C 13 59.308 59.308 58.867 0.441 25850 7890 1 15 . 1 1 13 13 LYS CB C 13 32.147 32.147 32.267 -0.120 25850 7891 1 15 . 1 1 13 13 LYS H H 13 7.800 7.800 7.597 0.203 25850 7892 1 15 . 1 1 14 14 ALA N N 14 122.753 122.753 120.776 1.977 25850 7893 1 15 . 1 1 14 14 ALA HA H 14 4.205 4.205 4.195 0.010 25850 7894 1 15 . 1 1 14 14 ALA C C 14 180.640 180.640 179.802 0.838 25850 7895 1 15 . 1 1 14 14 ALA CA C 14 54.756 54.756 54.751 0.005 25850 7896 1 15 . 1 1 14 14 ALA CB C 14 17.913 17.913 18.212 -0.299 25850 7897 1 15 . 1 1 14 14 ALA H H 14 8.001 8.001 8.198 -0.197 25850 7898 1 15 . 1 1 15 15 TYR HA H 15 3.850 3.850 4.144 -0.294 25850 7899 1 15 . 1 1 15 15 TYR C C 15 175.898 175.898 177.527 -1.629 25850 7900 1 15 . 1 1 15 15 TYR CA C 15 62.008 62.008 61.800 0.208 25850 7901 1 15 . 1 1 15 15 TYR CB C 15 37.756 37.756 38.532 -0.776 25850 7902 1 15 . 1 1 15 15 TYR H H 15 8.906 8.906 7.849 1.057 25850 7903 1 15 . 1 1 16 16 LYS N N 16 119.082 119.082 118.340 0.742 25850 7904 1 15 . 1 1 16 16 LYS HA H 16 3.985 3.985 3.894 0.091 25850 7905 1 15 . 1 1 16 16 LYS C C 16 179.068 179.068 178.723 0.345 25850 7906 1 15 . 1 1 16 16 LYS CA C 16 58.622 58.622 59.862 -1.240 25850 7907 1 15 . 1 1 16 16 LYS CB C 16 32.131 32.131 32.311 -0.180 25850 7908 1 15 . 1 1 16 16 LYS H H 16 8.059 8.059 8.239 -0.180 25850 7909 1 15 . 1 1 17 17 LYS N N 17 119.708 119.708 119.443 0.265 25850 7910 1 15 . 1 1 17 17 LYS HA H 17 4.142 4.142 4.053 0.089 25850 7911 1 15 . 1 1 17 17 LYS CA C 17 57.951 57.951 59.085 -1.134 25850 7912 1 15 . 1 1 17 17 LYS CB C 17 31.802 31.802 32.499 -0.697 25850 7913 1 15 . 1 1 17 17 LYS H H 17 7.900 7.900 8.017 -0.117 25850 7914 1 15 . 1 1 18 18 ALA N N 18 120.860 120.860 121.778 -0.918 25850 7915 1 15 . 1 1 18 18 ALA HA H 18 4.329 4.329 4.081 0.248 25850 7916 1 15 . 1 1 18 18 ALA C C 18 179.572 179.572 179.300 0.272 25850 7917 1 15 . 1 1 18 18 ALA CA C 18 54.110 54.110 55.069 -0.959 25850 7918 1 15 . 1 1 18 18 ALA CB C 18 18.782 18.782 18.015 0.767 25850 7919 1 15 . 1 1 18 18 ALA H H 18 7.854 7.854 7.736 0.118 25850 7920 1 15 . 1 1 19 19 GLU N N 19 120.904 120.904 118.090 2.814 25850 7921 1 15 . 1 1 19 19 GLU HA H 19 4.240 4.240 3.952 0.288 25850 7922 1 15 . 1 1 19 19 GLU C C 19 180.268 180.268 178.916 1.352 25850 7923 1 15 . 1 1 19 19 GLU CA C 19 59.147 59.147 58.534 0.613 25850 7924 1 15 . 1 1 19 19 GLU CB C 19 29.889 29.889 29.349 0.540 25850 7925 1 15 . 1 1 19 19 GLU H H 19 8.690 8.690 7.721 0.969 25850 7926 1 15 . 1 1 20 20 GLU N N 20 120.868 120.868 119.417 1.451 25850 7927 1 15 . 1 1 20 20 GLU HA H 20 4.024 4.024 4.066 -0.042 25850 7928 1 15 . 1 1 20 20 GLU C C 20 177.975 177.975 178.590 -0.615 25850 7929 1 15 . 1 1 20 20 GLU CA C 20 58.935 58.935 58.579 0.356 25850 7930 1 15 . 1 1 20 20 GLU CB C 20 29.549 29.549 29.222 0.327 25850 7931 1 15 . 1 1 20 20 GLU H H 20 7.898 7.898 7.902 -0.004 25850 7932 1 15 . 1 1 21 21 LEU N N 21 116.701 116.701 116.898 -0.197 25850 7933 1 15 . 1 1 21 21 LEU HA H 21 4.351 4.351 4.322 0.029 25850 7934 1 15 . 1 1 21 21 LEU C C 21 176.199 176.199 176.235 -0.036 25850 7935 1 15 . 1 1 21 21 LEU CA C 21 54.158 54.158 54.429 -0.271 25850 7936 1 15 . 1 1 21 21 LEU CB C 21 41.776 41.776 42.074 -0.298 25850 7937 1 15 . 1 1 21 21 LEU H H 21 7.393 7.393 7.409 -0.016 25850 7938 1 15 . 1 1 22 22 ASN N N 22 118.557 118.557 114.808 3.749 25850 7939 1 15 . 1 1 22 22 ASN HA H 22 4.278 4.278 4.362 -0.084 25850 7940 1 15 . 1 1 22 22 ASN C C 22 174.436 174.436 174.586 -0.150 25850 7941 1 15 . 1 1 22 22 ASN CA C 22 54.104 54.104 54.024 0.080 25850 7942 1 15 . 1 1 22 22 ASN CB C 22 37.364 37.364 37.756 -0.392 25850 7943 1 15 . 1 1 22 22 ASN H H 22 7.994 7.994 7.296 0.698 25850 7944 1 15 . 1 1 23 23 GLN N N 23 118.344 118.344 118.105 0.239 25850 7945 1 15 . 1 1 23 23 GLN HA H 23 4.557 4.557 4.487 0.070 25850 7946 1 15 . 1 1 23 23 GLN C C 23 176.685 176.685 176.537 0.148 25850 7947 1 15 . 1 1 23 23 GLN CA C 23 53.983 53.983 55.228 -1.245 25850 7948 1 15 . 1 1 23 23 GLN CB C 23 27.770 27.770 28.711 -0.941 25850 7949 1 15 . 1 1 23 23 GLN H H 23 8.378 8.378 7.811 0.567 25850 7950 1 15 . 1 1 24 24 GLY N N 24 113.071 113.071 114.307 -1.236 25850 7951 1 15 . 1 1 24 24 GLY C C 24 175.286 175.286 175.140 0.146 25850 7952 1 15 . 1 1 24 24 GLY CA C 24 47.823 47.823 46.324 1.499 25850 7953 1 15 . 1 1 24 24 GLY H H 24 8.468 8.468 8.580 -0.112 25850 7954 1 15 . 1 1 25 25 GLU N N 25 120.717 120.717 121.625 -0.908 25850 7955 1 15 . 1 1 25 25 GLU HA H 25 4.124 4.124 3.933 0.191 25850 7956 1 15 . 1 1 25 25 GLU C C 25 176.495 176.495 178.524 -2.029 25850 7957 1 15 . 1 1 25 25 GLU CA C 25 59.621 59.621 59.060 0.561 25850 7958 1 15 . 1 1 25 25 GLU CB C 25 28.636 28.636 29.095 -0.459 25850 7959 1 15 . 1 1 25 25 GLU H H 25 9.067 9.067 8.093 0.974 25850 7960 1 15 . 1 1 26 26 LEU HA H 26 4.222 4.222 4.127 0.095 25850 7961 1 15 . 1 1 26 26 LEU C C 26 180.590 180.590 179.192 1.398 25850 7962 1 15 . 1 1 26 26 LEU CA C 26 56.882 56.882 57.617 -0.735 25850 7963 1 15 . 1 1 26 26 LEU CB C 26 41.231 41.231 41.845 -0.614 25850 7964 1 15 . 1 1 26 26 LEU H H 26 7.165 7.165 7.919 -0.754 25850 7965 1 15 . 1 1 27 27 MET N N 27 121.053 121.053 117.282 3.771 25850 7966 1 15 . 1 1 27 27 MET HA H 27 3.932 3.932 4.150 -0.218 25850 7967 1 15 . 1 1 27 27 MET CA C 27 59.980 59.980 59.558 0.422 25850 7968 1 15 . 1 1 27 27 MET CB C 27 34.537 34.537 32.184 2.353 25850 7969 1 15 . 1 1 27 27 MET H H 27 8.203 8.203 7.720 0.483 25850 7970 1 15 . 1 1 28 28 GLY N N 28 106.038 106.038 107.144 -1.106 25850 7971 1 15 . 1 1 28 28 GLY C C 28 174.900 174.900 175.745 -0.845 25850 7972 1 15 . 1 1 28 28 GLY CA C 28 47.672 47.672 46.450 1.222 25850 7973 1 15 . 1 1 28 28 GLY H H 28 8.527 8.527 8.307 0.220 25850 7974 1 15 . 1 1 29 29 ARG N N 29 120.201 120.201 121.516 -1.315 25850 7975 1 15 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.194 0.001 25850 7976 1 15 . 1 1 29 29 ARG C C 29 178.065 178.065 178.486 -0.421 25850 7977 1 15 . 1 1 29 29 ARG CA C 29 59.974 59.974 59.120 0.855 25850 7978 1 15 . 1 1 29 29 ARG CB C 29 30.416 30.416 30.207 0.209 25850 7979 1 15 . 1 1 29 29 ARG H H 29 8.224 8.224 7.955 0.269 25850 7980 1 15 . 1 1 30 30 ALA N N 30 121.394 121.394 123.492 -2.098 25850 7981 1 15 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.156 0.041 25850 7982 1 15 . 1 1 30 30 ALA C C 30 179.433 179.433 179.550 -0.117 25850 7983 1 15 . 1 1 30 30 ALA CA C 30 55.838 55.838 55.185 0.653 25850 7984 1 15 . 1 1 30 30 ALA CB C 30 18.269 18.269 18.346 -0.077 25850 7985 1 15 . 1 1 30 30 ALA H H 30 7.876 7.876 7.970 -0.094 25850 7986 1 15 . 1 1 31 31 LEU N N 31 116.122 116.122 118.414 -2.292 25850 7987 1 15 . 1 1 31 31 LEU HA H 31 4.003 4.003 3.883 0.120 25850 7988 1 15 . 1 1 31 31 LEU C C 31 178.416 178.416 178.997 -0.581 25850 7989 1 15 . 1 1 31 31 LEU CA C 31 57.921 57.921 57.500 0.421 25850 7990 1 15 . 1 1 31 31 LEU CB C 31 42.463 42.463 41.822 0.642 25850 7991 1 15 . 1 1 31 31 LEU H H 31 8.084 8.084 7.922 0.162 25850 7992 1 15 . 1 1 32 32 TYR N N 32 119.225 119.225 120.762 -1.537 25850 7993 1 15 . 1 1 32 32 TYR HA H 32 4.063 4.063 4.364 -0.301 25850 7994 1 15 . 1 1 32 32 TYR C C 32 176.310 176.310 177.584 -1.274 25850 7995 1 15 . 1 1 32 32 TYR CA C 32 61.992 61.992 62.279 -0.287 25850 7996 1 15 . 1 1 32 32 TYR CB C 32 38.659 38.659 38.759 -0.100 25850 7997 1 15 . 1 1 32 32 TYR H H 32 8.562 8.562 8.616 -0.054 25850 7998 1 15 . 1 1 33 33 ASN N N 33 116.880 116.880 117.608 -0.728 25850 7999 1 15 . 1 1 33 33 ASN HA H 33 4.068 4.068 4.238 -0.170 25850 8000 1 15 . 1 1 33 33 ASN C C 33 178.353 178.353 177.498 0.855 25850 8001 1 15 . 1 1 33 33 ASN CA C 33 55.858 55.858 55.777 0.081 25850 8002 1 15 . 1 1 33 33 ASN CB C 33 35.968 35.968 37.423 -1.455 25850 8003 1 15 . 1 1 33 33 ASN H H 33 8.213 8.213 8.000 0.213 25850 8004 1 15 . 1 1 34 34 ILE N N 34 121.401 121.401 120.342 1.059 25850 8005 1 15 . 1 1 34 34 ILE HA H 34 3.300 3.300 3.575 -0.275 25850 8006 1 15 . 1 1 34 34 ILE C C 34 177.867 177.867 177.695 0.172 25850 8007 1 15 . 1 1 34 34 ILE CA C 34 66.528 66.528 65.431 1.097 25850 8008 1 15 . 1 1 34 34 ILE CB C 34 37.839 37.839 37.206 0.633 25850 8009 1 15 . 1 1 34 34 ILE H H 34 8.087 8.087 8.056 0.031 25850 8010 1 15 . 1 1 35 35 GLY N N 35 107.275 107.275 107.624 -0.349 25850 8011 1 15 . 1 1 35 35 GLY C C 35 175.048 175.048 175.746 -0.698 25850 8012 1 15 . 1 1 35 35 GLY CA C 35 48.547 48.547 46.691 1.856 25850 8013 1 15 . 1 1 35 35 GLY H H 35 7.922 7.922 7.738 0.184 25850 8014 1 15 . 1 1 36 36 LEU N N 36 120.414 120.414 121.838 -1.424 25850 8015 1 15 . 1 1 36 36 LEU HA H 36 4.048 4.048 3.973 0.075 25850 8016 1 15 . 1 1 36 36 LEU C C 36 180.804 180.804 179.109 1.695 25850 8017 1 15 . 1 1 36 36 LEU CA C 36 58.063 58.063 57.487 0.576 25850 8018 1 15 . 1 1 36 36 LEU CB C 36 41.701 41.701 41.516 0.185 25850 8019 1 15 . 1 1 36 36 LEU H H 36 8.177 8.177 7.799 0.378 25850 8020 1 15 . 1 1 37 37 GLU N N 37 120.083 120.083 119.247 0.836 25850 8021 1 15 . 1 1 37 37 GLU HA H 37 4.075 4.075 4.036 0.039 25850 8022 1 15 . 1 1 37 37 GLU C C 37 179.517 179.517 179.327 0.190 25850 8023 1 15 . 1 1 37 37 GLU CA C 37 58.603 58.603 59.120 -0.517 25850 8024 1 15 . 1 1 37 37 GLU CB C 37 29.799 29.799 28.879 0.920 25850 8025 1 15 . 1 1 37 37 GLU H H 37 7.750 7.750 7.794 -0.044 25850 8026 1 15 . 1 1 38 38 LYS N N 38 118.263 118.263 118.024 0.239 25850 8027 1 15 . 1 1 38 38 LYS HA H 38 3.862 3.862 3.959 -0.097 25850 8028 1 15 . 1 1 38 38 LYS C C 38 179.253 179.253 178.712 0.541 25850 8029 1 15 . 1 1 38 38 LYS CA C 38 57.937 57.937 58.557 -0.620 25850 8030 1 15 . 1 1 38 38 LYS CB C 38 30.769 30.769 31.747 -0.979 25850 8031 1 15 . 1 1 38 38 LYS H H 38 8.550 8.550 7.821 0.729 25850 8032 1 15 . 1 1 39 39 ASN N N 39 118.329 118.329 117.374 0.955 25850 8033 1 15 . 1 1 39 39 ASN HA H 39 4.193 4.193 4.489 -0.296 25850 8034 1 15 . 1 1 39 39 ASN C C 39 179.428 179.428 177.551 1.877 25850 8035 1 15 . 1 1 39 39 ASN CA C 39 56.177 56.177 55.645 0.532 25850 8036 1 15 . 1 1 39 39 ASN CB C 39 38.478 38.478 38.528 -0.050 25850 8037 1 15 . 1 1 39 39 ASN H H 39 8.294 8.294 7.934 0.360 25850 8038 1 15 . 1 1 40 40 LYS N N 40 121.176 121.176 119.157 2.019 25850 8039 1 15 . 1 1 40 40 LYS HA H 40 4.047 4.047 4.084 -0.037 25850 8040 1 15 . 1 1 40 40 LYS C C 40 178.229 178.229 178.617 -0.388 25850 8041 1 15 . 1 1 40 40 LYS CA C 40 59.471 59.471 58.533 0.938 25850 8042 1 15 . 1 1 40 40 LYS CB C 40 32.427 32.427 32.472 -0.046 25850 8043 1 15 . 1 1 40 40 LYS H H 40 7.912 7.912 7.795 0.117 25850 8044 1 15 . 1 1 41 41 MET N N 41 114.548 114.548 116.494 -1.946 25850 8045 1 15 . 1 1 41 41 MET HA H 41 4.512 4.512 4.403 0.109 25850 8046 1 15 . 1 1 41 41 MET C C 41 175.915 175.915 176.863 -0.948 25850 8047 1 15 . 1 1 41 41 MET CA C 41 55.529 55.529 56.021 -0.492 25850 8048 1 15 . 1 1 41 41 MET CB C 41 34.022 34.022 32.852 1.170 25850 8049 1 15 . 1 1 41 41 MET H H 41 7.389 7.389 7.846 -0.457 25850 8050 1 15 . 1 1 42 42 GLY N N 42 107.409 107.409 107.600 -0.191 25850 8051 1 15 . 1 1 42 42 GLY C C 42 175.041 175.041 174.625 0.416 25850 8052 1 15 . 1 1 42 42 GLY CA C 42 45.335 45.335 45.573 -0.238 25850 8053 1 15 . 1 1 42 42 GLY H H 42 7.929 7.929 7.557 0.372 25850 8054 1 15 . 1 1 43 43 LYS N N 43 124.326 124.326 122.519 1.807 25850 8055 1 15 . 1 1 43 43 LYS HA H 43 4.684 4.684 4.461 0.223 25850 8056 1 15 . 1 1 43 43 LYS C C 43 176.514 176.514 176.306 0.208 25850 8057 1 15 . 1 1 43 43 LYS CA C 43 53.791 53.791 54.745 -0.954 25850 8058 1 15 . 1 1 43 43 LYS CB C 43 30.065 30.065 31.317 -1.252 25850 8059 1 15 . 1 1 43 43 LYS H H 43 8.040 8.040 7.659 0.381 25850 8060 1 15 . 1 1 44 44 VAL N N 44 121.020 121.020 121.740 -0.720 25850 8061 1 15 . 1 1 44 44 VAL HA H 44 3.580 3.580 3.698 -0.118 25850 8062 1 15 . 1 1 44 44 VAL C C 44 177.096 177.096 177.154 -0.058 25850 8063 1 15 . 1 1 44 44 VAL CA C 44 66.166 66.166 65.406 0.760 25850 8064 1 15 . 1 1 44 44 VAL CB C 44 31.869 31.869 31.953 -0.084 25850 8065 1 15 . 1 1 44 44 VAL H H 44 7.439 7.439 7.570 -0.131 25850 8066 1 15 . 1 1 45 45 LYS N N 45 119.164 119.164 119.511 -0.347 25850 8067 1 15 . 1 1 45 45 LYS HA H 45 3.950 3.950 3.954 -0.004 25850 8068 1 15 . 1 1 45 45 LYS C C 45 179.726 179.726 178.818 0.908 25850 8069 1 15 . 1 1 45 45 LYS CA C 45 60.153 60.153 59.509 0.644 25850 8070 1 15 . 1 1 45 45 LYS CB C 45 31.446 31.446 31.281 0.165 25850 8071 1 15 . 1 1 45 45 LYS H H 45 8.427 8.427 8.541 -0.114 25850 8072 1 15 . 1 1 46 46 GLU N N 46 118.446 118.446 119.472 -1.026 25850 8073 1 15 . 1 1 46 46 GLU HA H 46 4.092 4.092 3.979 0.113 25850 8074 1 15 . 1 1 46 46 GLU C C 46 178.490 178.490 178.411 0.079 25850 8075 1 15 . 1 1 46 46 GLU CA C 46 59.327 59.327 59.075 0.252 25850 8076 1 15 . 1 1 46 46 GLU CB C 46 29.764 29.764 29.377 0.387 25850 8077 1 15 . 1 1 46 46 GLU H H 46 7.867 7.867 7.851 0.016 25850 8078 1 15 . 1 1 47 47 ALA N N 47 122.279 122.279 122.800 -0.521 25850 8079 1 15 . 1 1 47 47 ALA HA H 47 3.513 3.513 3.690 -0.177 25850 8080 1 15 . 1 1 47 47 ALA C C 47 178.065 178.065 179.064 -0.999 25850 8081 1 15 . 1 1 47 47 ALA CA C 47 55.905 55.905 54.943 0.962 25850 8082 1 15 . 1 1 47 47 ALA CB C 47 18.256 18.256 18.199 0.057 25850 8083 1 15 . 1 1 47 47 ALA H H 47 8.315 8.315 7.229 1.086 25850 8084 1 15 . 1 1 48 48 ILE N N 48 115.863 115.863 117.960 -2.097 25850 8085 1 15 . 1 1 48 48 ILE HA H 48 3.401 3.401 3.493 -0.092 25850 8086 1 15 . 1 1 48 48 ILE C C 48 176.808 176.808 177.896 -1.088 25850 8087 1 15 . 1 1 48 48 ILE CA C 48 66.282 66.282 65.497 0.785 25850 8088 1 15 . 1 1 48 48 ILE CB C 48 38.375 38.375 37.500 0.875 25850 8089 1 15 . 1 1 48 48 ILE H H 48 8.077 8.077 7.877 0.200 25850 8090 1 15 . 1 1 49 49 GLU N N 49 116.853 116.853 119.270 -2.417 25850 8091 1 15 . 1 1 49 49 GLU HA H 49 3.920 3.920 3.844 0.076 25850 8092 1 15 . 1 1 49 49 GLU C C 49 179.914 179.914 179.262 0.652 25850 8093 1 15 . 1 1 49 49 GLU CA C 49 59.535 59.535 59.492 0.043 25850 8094 1 15 . 1 1 49 49 GLU CB C 49 28.995 28.995 28.787 0.208 25850 8095 1 15 . 1 1 49 49 GLU H H 49 7.175 7.175 7.487 -0.312 25850 8096 1 15 . 1 1 50 50 TYR N N 50 117.578 117.578 118.719 -1.141 25850 8097 1 15 . 1 1 50 50 TYR HA H 50 3.774 3.774 4.170 -0.396 25850 8098 1 15 . 1 1 50 50 TYR C C 50 178.462 178.462 178.506 -0.044 25850 8099 1 15 . 1 1 50 50 TYR CA C 50 64.368 64.368 61.315 3.053 25850 8100 1 15 . 1 1 50 50 TYR CB C 50 37.345 37.345 38.056 -0.711 25850 8101 1 15 . 1 1 50 50 TYR H H 50 7.676 7.676 7.575 0.101 25850 8102 1 15 . 1 1 51 51 PHE N N 51 119.480 119.480 118.040 1.440 25850 8103 1 15 . 1 1 51 51 PHE HA H 51 4.711 4.711 4.434 0.277 25850 8104 1 15 . 1 1 51 51 PHE C C 51 178.720 178.720 178.110 0.610 25850 8105 1 15 . 1 1 51 51 PHE CA C 51 58.958 58.958 60.143 -1.185 25850 8106 1 15 . 1 1 51 51 PHE CB C 51 37.771 37.771 37.998 -0.228 25850 8107 1 15 . 1 1 51 51 PHE H H 51 9.013 9.013 8.068 0.945 25850 8108 1 15 . 1 1 52 52 LEU N N 52 120.365 120.365 120.718 -0.353 25850 8109 1 15 . 1 1 52 52 LEU HA H 52 4.093 4.093 3.971 0.122 25850 8110 1 15 . 1 1 52 52 LEU C C 52 180.229 180.229 179.062 1.167 25850 8111 1 15 . 1 1 52 52 LEU CA C 52 58.252 58.252 58.644 -0.392 25850 8112 1 15 . 1 1 52 52 LEU CB C 52 42.160 42.160 41.515 0.645 25850 8113 1 15 . 1 1 52 52 LEU H H 52 8.906 8.906 8.234 0.672 25850 8114 1 15 . 1 1 53 53 ARG N N 53 119.294 119.294 118.633 0.661 25850 8115 1 15 . 1 1 53 53 ARG HA H 53 3.929 3.929 3.998 -0.069 25850 8116 1 15 . 1 1 53 53 ARG C C 53 179.087 179.087 178.583 0.504 25850 8117 1 15 . 1 1 53 53 ARG CA C 53 59.580 59.580 59.561 0.019 25850 8118 1 15 . 1 1 53 53 ARG CB C 53 31.418 31.418 29.860 1.558 25850 8119 1 15 . 1 1 53 53 ARG H H 53 7.846 7.846 7.979 -0.133 25850 8120 1 15 . 1 1 54 54 ALA N N 54 121.351 121.351 121.890 -0.539 25850 8121 1 15 . 1 1 54 54 ALA HA H 54 3.693 3.693 4.002 -0.309 25850 8122 1 15 . 1 1 54 54 ALA C C 54 177.631 177.631 179.224 -1.593 25850 8123 1 15 . 1 1 54 54 ALA CA C 54 55.115 55.115 55.420 -0.305 25850 8124 1 15 . 1 1 54 54 ALA CB C 54 17.612 17.612 18.372 -0.760 25850 8125 1 15 . 1 1 54 54 ALA H H 54 8.892 8.892 8.364 0.528 25850 8126 1 15 . 1 1 55 55 LYS N N 55 117.135 117.135 118.662 -1.527 25850 8127 1 15 . 1 1 55 55 LYS HA H 55 3.835 3.835 4.336 -0.501 25850 8128 1 15 . 1 1 55 55 LYS C C 55 176.970 176.970 178.622 -1.652 25850 8129 1 15 . 1 1 55 55 LYS CA C 55 60.725 60.725 59.831 0.894 25850 8130 1 15 . 1 1 55 55 LYS CB C 55 32.602 32.602 32.424 0.178 25850 8131 1 15 . 1 1 55 55 LYS H H 55 8.626 8.626 8.081 0.545 25850 8132 1 15 . 1 1 56 56 LYS N N 56 116.695 116.695 120.062 -3.367 25850 8133 1 15 . 1 1 56 56 LYS HA H 56 4.171 4.171 4.343 -0.172 25850 8134 1 15 . 1 1 56 56 LYS C C 56 180.037 180.037 179.179 0.858 25850 8135 1 15 . 1 1 56 56 LYS CA C 56 59.606 59.606 59.302 0.304 25850 8136 1 15 . 1 1 56 56 LYS CB C 56 32.349 32.349 32.325 0.024 25850 8137 1 15 . 1 1 56 56 LYS H H 56 7.652 7.652 7.659 -0.007 25850 8138 1 15 . 1 1 57 57 VAL N N 57 120.809 120.809 118.650 2.159 25850 8139 1 15 . 1 1 57 57 VAL HA H 57 3.753 3.753 3.656 0.097 25850 8140 1 15 . 1 1 57 57 VAL C C 57 178.174 178.174 177.835 0.339 25850 8141 1 15 . 1 1 57 57 VAL CA C 57 66.226 66.226 65.821 0.405 25850 8142 1 15 . 1 1 57 57 VAL CB C 57 31.424 31.424 31.547 -0.123 25850 8143 1 15 . 1 1 57 57 VAL H H 57 7.583 7.583 7.827 -0.244 25850 8144 1 15 . 1 1 58 58 PHE N N 58 118.864 118.864 119.601 -0.737 25850 8145 1 15 . 1 1 58 58 PHE HA H 58 4.521 4.521 4.152 0.369 25850 8146 1 15 . 1 1 58 58 PHE C C 58 179.187 179.187 177.489 1.698 25850 8147 1 15 . 1 1 58 58 PHE CA C 58 59.849 59.849 61.715 -1.866 25850 8148 1 15 . 1 1 58 58 PHE CB C 58 37.753 37.753 38.078 -0.325 25850 8149 1 15 . 1 1 58 58 PHE H H 58 8.871 8.871 7.878 0.993 25850 8150 1 15 . 1 1 59 59 ASP N N 59 119.714 119.714 119.584 0.130 25850 8151 1 15 . 1 1 59 59 ASP HA H 59 4.444 4.444 4.417 0.027 25850 8152 1 15 . 1 1 59 59 ASP C C 59 180.066 180.066 178.487 1.579 25850 8153 1 15 . 1 1 59 59 ASP CA C 59 57.201 57.201 57.603 -0.402 25850 8154 1 15 . 1 1 59 59 ASP CB C 59 39.713 39.713 40.449 -0.736 25850 8155 1 15 . 1 1 59 59 ASP H H 59 9.157 9.157 8.301 0.856 25850 8156 1 15 . 1 1 60 60 ALA N N 60 124.290 124.290 121.767 2.523 25850 8157 1 15 . 1 1 60 60 ALA HA H 60 4.087 4.087 4.004 0.083 25850 8158 1 15 . 1 1 60 60 ALA C C 60 179.389 179.389 178.875 0.514 25850 8159 1 15 . 1 1 60 60 ALA CA C 60 54.760 54.760 54.158 0.602 25850 8160 1 15 . 1 1 60 60 ALA CB C 60 18.025 18.025 18.713 -0.688 25850 8161 1 15 . 1 1 60 60 ALA H H 60 7.742 7.742 7.412 0.330 25850 8162 1 15 . 1 1 61 61 GLU N N 61 114.493 114.493 115.565 -1.072 25850 8163 1 15 . 1 1 61 61 GLU HA H 61 4.259 4.259 4.109 0.150 25850 8164 1 15 . 1 1 61 61 GLU C C 61 175.970 175.970 176.722 -0.752 25850 8165 1 15 . 1 1 61 61 GLU CA C 61 55.049 55.049 56.326 -1.277 25850 8166 1 15 . 1 1 61 61 GLU CB C 61 29.724 29.724 29.964 -0.240 25850 8167 1 15 . 1 1 61 61 GLU H H 61 7.908 7.908 7.594 0.314 25850 8168 1 15 . 1 1 62 62 HIS N N 62 115.130 115.130 113.669 1.461 25850 8169 1 15 . 1 1 62 62 HIS HA H 62 4.264 4.264 4.265 -0.001 25850 8170 1 15 . 1 1 62 62 HIS C C 62 173.916 173.916 173.830 0.086 25850 8171 1 15 . 1 1 62 62 HIS CA C 62 56.531 56.531 56.971 -0.440 25850 8172 1 15 . 1 1 62 62 HIS CB C 62 26.039 26.039 27.083 -1.044 25850 8173 1 15 . 1 1 62 62 HIS H H 62 7.830 7.830 7.574 0.256 25850 8174 1 15 . 1 1 63 63 ASP N N 63 118.507 118.507 120.004 -1.497 25850 8175 1 15 . 1 1 63 63 ASP HA H 63 4.854 4.854 4.838 0.016 25850 8176 1 15 . 1 1 63 63 ASP C C 63 176.143 176.143 176.696 -0.553 25850 8177 1 15 . 1 1 63 63 ASP CA C 63 52.127 52.127 53.070 -0.943 25850 8178 1 15 . 1 1 63 63 ASP CB C 63 40.068 40.068 41.340 -1.272 25850 8179 1 15 . 1 1 63 63 ASP H H 63 8.521 8.521 8.100 0.421 25850 8180 1 15 . 1 1 64 64 THR N N 64 119.037 119.037 121.311 -2.274 25850 8181 1 15 . 1 1 64 64 THR HA H 64 3.869 3.869 3.982 -0.113 25850 8182 1 15 . 1 1 64 64 THR C C 64 176.814 176.814 175.554 1.260 25850 8183 1 15 . 1 1 64 64 THR CA C 64 65.198 65.198 66.075 -0.877 25850 8184 1 15 . 1 1 64 64 THR CB C 64 68.315 68.315 68.993 -0.678 25850 8185 1 15 . 1 1 64 64 THR H H 64 7.907 7.907 8.079 -0.172 25850 8186 1 15 . 1 1 65 65 ASP N N 65 122.892 122.892 121.012 1.880 25850 8187 1 15 . 1 1 65 65 ASP HA H 65 4.287 4.287 4.354 -0.067 25850 8188 1 15 . 1 1 65 65 ASP C C 65 178.326 178.326 178.126 0.200 25850 8189 1 15 . 1 1 65 65 ASP CA C 65 57.350 57.350 56.981 0.369 25850 8190 1 15 . 1 1 65 65 ASP CB C 65 41.121 41.121 40.312 0.809 25850 8191 1 15 . 1 1 65 65 ASP H H 65 8.375 8.375 8.233 0.142 25850 8192 1 15 . 1 1 66 66 GLY N N 66 109.334 109.334 106.510 2.824 25850 8193 1 15 . 1 1 66 66 GLY C C 66 175.861 175.861 175.143 0.718 25850 8194 1 15 . 1 1 66 66 GLY CA C 66 46.136 46.136 46.027 0.109 25850 8195 1 15 . 1 1 66 66 GLY H H 66 8.234 8.234 8.098 0.136 25850 8196 1 15 . 1 1 67 67 ALA N N 67 122.888 122.888 124.552 -1.664 25850 8197 1 15 . 1 1 67 67 ALA HA H 67 3.892 3.892 4.000 -0.108 25850 8198 1 15 . 1 1 67 67 ALA C C 67 179.384 179.384 179.430 -0.046 25850 8199 1 15 . 1 1 67 67 ALA CA C 67 55.960 55.960 54.571 1.389 25850 8200 1 15 . 1 1 67 67 ALA CB C 67 18.611 18.611 18.548 0.063 25850 8201 1 15 . 1 1 67 67 ALA H H 67 7.949 7.949 7.342 0.607 25850 8202 1 15 . 1 1 68 68 ARG N N 68 118.221 118.221 118.156 0.065 25850 8203 1 15 . 1 1 68 68 ARG HA H 68 3.993 3.993 3.970 0.023 25850 8204 1 15 . 1 1 68 68 ARG C C 68 179.355 179.355 178.762 0.593 25850 8205 1 15 . 1 1 68 68 ARG CA C 68 59.234 59.234 59.403 -0.169 25850 8206 1 15 . 1 1 68 68 ARG CB C 68 29.799 29.799 30.105 -0.305 25850 8207 1 15 . 1 1 68 68 ARG H H 68 7.917 7.917 8.115 -0.198 25850 8208 1 15 . 1 1 69 69 ARG N N 69 120.551 120.551 119.614 0.937 25850 8209 1 15 . 1 1 69 69 ARG HA H 69 3.923 3.923 4.029 -0.106 25850 8210 1 15 . 1 1 69 69 ARG C C 69 179.120 179.120 178.005 1.115 25850 8211 1 15 . 1 1 69 69 ARG CA C 69 59.310 59.310 59.033 0.277 25850 8212 1 15 . 1 1 69 69 ARG CB C 69 29.189 29.189 29.974 -0.785 25850 8213 1 15 . 1 1 69 69 ARG H H 69 7.749 7.749 7.760 -0.011 25850 8214 1 15 . 1 1 70 70 ALA N N 70 121.098 121.098 121.252 -0.154 25850 8215 1 15 . 1 1 70 70 ALA HA H 70 4.016 4.016 4.409 -0.393 25850 8216 1 15 . 1 1 70 70 ALA C C 70 178.438 178.438 179.489 -1.051 25850 8217 1 15 . 1 1 70 70 ALA CA C 70 55.536 55.536 54.892 0.644 25850 8218 1 15 . 1 1 70 70 ALA CB C 70 17.216 17.216 18.386 -1.170 25850 8219 1 15 . 1 1 70 70 ALA H H 70 8.245 8.245 7.949 0.296 25850 8220 1 15 . 1 1 71 71 ALA N N 71 119.333 119.333 120.258 -0.925 25850 8221 1 15 . 1 1 71 71 ALA HA H 71 4.047 4.047 4.200 -0.153 25850 8222 1 15 . 1 1 71 71 ALA C C 71 180.219 180.219 179.398 0.821 25850 8223 1 15 . 1 1 71 71 ALA CA C 71 55.083 55.083 54.636 0.447 25850 8224 1 15 . 1 1 71 71 ALA CB C 71 18.198 18.198 18.438 -0.240 25850 8225 1 15 . 1 1 71 71 ALA H H 71 8.565 8.565 8.080 0.485 25850 8226 1 15 . 1 1 72 72 LYS N N 72 121.188 121.188 119.954 1.234 25850 8227 1 15 . 1 1 72 72 LYS HA H 72 4.107 4.107 4.153 -0.046 25850 8228 1 15 . 1 1 72 72 LYS C C 72 179.155 179.155 178.537 0.618 25850 8229 1 15 . 1 1 72 72 LYS CA C 72 59.271 59.271 58.183 1.088 25850 8230 1 15 . 1 1 72 72 LYS CB C 72 31.786 31.786 32.189 -0.403 25850 8231 1 15 . 1 1 72 72 LYS H H 72 8.108 8.108 7.901 0.207 25850 8232 1 15 . 1 1 73 73 SER N N 73 116.976 116.976 115.120 1.856 25850 8233 1 15 . 1 1 73 73 SER HA H 73 3.957 3.957 4.116 -0.159 25850 8234 1 15 . 1 1 73 73 SER C C 73 176.394 176.394 176.223 0.171 25850 8235 1 15 . 1 1 73 73 SER CA C 73 62.753 62.753 60.197 2.556 25850 8236 1 15 . 1 1 73 73 SER CB C 73 60.718 60.718 61.880 -1.163 25850 8237 1 15 . 1 1 73 73 SER H H 73 8.057 8.057 7.904 0.153 25850 8238 1 15 . 1 1 74 74 LEU N N 74 123.741 123.741 122.246 1.495 25850 8239 1 15 . 1 1 74 74 LEU HA H 74 3.831 3.831 3.900 -0.069 25850 8240 1 15 . 1 1 74 74 LEU C C 74 176.704 176.704 178.437 -1.733 25850 8241 1 15 . 1 1 74 74 LEU CA C 74 58.545 58.545 58.061 0.484 25850 8242 1 15 . 1 1 74 74 LEU CB C 74 41.862 41.862 41.707 0.155 25850 8243 1 15 . 1 1 74 74 LEU H H 74 8.341 8.341 7.714 0.627 25850 8244 1 15 . 1 1 75 75 SER N N 75 113.508 113.508 114.411 -0.903 25850 8245 1 15 . 1 1 75 75 SER HA H 75 4.277 4.277 4.204 0.073 25850 8246 1 15 . 1 1 75 75 SER C C 75 177.668 177.668 176.571 1.097 25850 8247 1 15 . 1 1 75 75 SER CA C 75 61.926 61.926 61.564 0.362 25850 8248 1 15 . 1 1 75 75 SER CB C 75 62.702 62.702 62.239 0.463 25850 8249 1 15 . 1 1 75 75 SER H H 75 8.055 8.055 7.767 0.288 25850 8250 1 15 . 1 1 76 76 GLU N N 76 119.999 119.999 120.950 -0.951 25850 8251 1 15 . 1 1 76 76 GLU HA H 76 4.041 4.041 4.053 -0.012 25850 8252 1 15 . 1 1 76 76 GLU C C 76 178.836 178.836 178.554 0.282 25850 8253 1 15 . 1 1 76 76 GLU CA C 76 58.928 58.928 58.943 -0.015 25850 8254 1 15 . 1 1 76 76 GLU CB C 76 29.684 29.684 29.583 0.101 25850 8255 1 15 . 1 1 76 76 GLU H H 76 7.874 7.874 7.712 0.162 25850 8256 1 15 . 1 1 77 77 ALA N N 77 123.551 123.551 122.063 1.488 25850 8257 1 15 . 1 1 77 77 ALA HA H 77 4.242 4.242 4.171 0.071 25850 8258 1 15 . 1 1 77 77 ALA C C 77 180.005 180.005 179.707 0.298 25850 8259 1 15 . 1 1 77 77 ALA CA C 77 55.031 55.031 54.677 0.354 25850 8260 1 15 . 1 1 77 77 ALA CB C 77 18.237 18.237 18.541 -0.304 25850 8261 1 15 . 1 1 77 77 ALA H H 77 8.043 8.043 7.465 0.578 25850 8262 1 15 . 1 1 78 78 TYR N N 78 116.371 116.371 118.118 -1.747 25850 8263 1 15 . 1 1 78 78 TYR HA H 78 4.418 4.418 4.187 0.231 25850 8264 1 15 . 1 1 78 78 TYR C C 78 178.901 178.901 178.473 0.428 25850 8265 1 15 . 1 1 78 78 TYR CA C 78 60.302 60.302 61.330 -1.028 25850 8266 1 15 . 1 1 78 78 TYR CB C 78 37.416 37.416 37.792 -0.376 25850 8267 1 15 . 1 1 78 78 TYR H H 78 8.699 8.699 8.279 0.420 25850 8268 1 15 . 1 1 79 79 GLN N N 79 116.649 116.649 117.907 -1.258 25850 8269 1 15 . 1 1 79 79 GLN HA H 79 4.212 4.212 3.915 0.297 25850 8270 1 15 . 1 1 79 79 GLN C C 79 177.778 177.778 177.584 0.194 25850 8271 1 15 . 1 1 79 79 GLN CA C 79 57.922 57.922 59.142 -1.220 25850 8272 1 15 . 1 1 79 79 GLN CB C 79 28.659 28.659 28.308 0.351 25850 8273 1 15 . 1 1 79 79 GLN H H 79 7.667 7.667 7.916 -0.249 25850 8274 1 15 . 1 1 80 80 LYS N N 80 118.855 118.855 118.730 0.125 25850 8275 1 15 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.110 0.183 25850 8276 1 15 . 1 1 80 80 LYS C C 80 178.038 178.038 179.036 -0.998 25850 8277 1 15 . 1 1 80 80 LYS CA C 80 57.474 57.474 58.687 -1.213 25850 8278 1 15 . 1 1 80 80 LYS CB C 80 32.816 32.816 32.653 0.163 25850 8279 1 15 . 1 1 80 80 LYS H H 80 7.766 7.766 7.411 0.355 25850 8280 1 15 . 1 1 81 81 VAL N N 81 117.863 117.863 119.359 -1.496 25850 8281 1 15 . 1 1 81 81 VAL HA H 81 4.076 4.076 3.630 0.446 25850 8282 1 15 . 1 1 81 81 VAL C C 81 176.805 176.805 177.499 -0.694 25850 8283 1 15 . 1 1 81 81 VAL CA C 81 63.409 63.409 65.655 -2.246 25850 8284 1 15 . 1 1 81 81 VAL CB C 81 32.423 32.423 32.024 0.399 25850 8285 1 15 . 1 1 81 81 VAL H H 81 7.821 7.821 7.673 0.148 25850 8286 1 15 . 1 1 82 82 GLU N N 82 122.552 122.552 117.272 5.280 25850 8287 1 15 . 1 1 82 82 GLU HA H 82 4.277 4.277 4.243 0.034 25850 8288 1 15 . 1 1 82 82 GLU C C 82 177.559 177.559 177.783 -0.224 25850 8289 1 15 . 1 1 82 82 GLU CA C 82 57.300 57.300 57.159 0.141 25850 8290 1 15 . 1 1 82 82 GLU CB C 82 29.927 29.927 30.305 -0.378 25850 8291 1 15 . 1 1 82 82 GLU H H 82 8.329 8.329 8.143 0.186 25850 8292 1 15 . 1 1 83 83 GLY N N 83 109.040 109.040 108.401 0.639 25850 8293 1 15 . 1 1 83 83 GLY C C 83 174.590 174.590 175.199 -0.609 25850 8294 1 15 . 1 1 83 83 GLY CA C 83 45.530 45.530 45.816 -0.286 25850 8295 1 15 . 1 1 83 83 GLY H H 83 8.309 8.309 8.092 0.217 25850 8296 1 15 . 1 1 84 84 SER N N 84 115.258 115.258 114.965 0.293 25850 8297 1 15 . 1 1 84 84 SER HA H 84 4.495 4.495 4.393 0.102 25850 8298 1 15 . 1 1 84 84 SER C C 84 175.217 175.217 174.547 0.670 25850 8299 1 15 . 1 1 84 84 SER CA C 84 58.580 58.580 59.827 -1.247 25850 8300 1 15 . 1 1 84 84 SER CB C 84 63.827 63.827 63.596 0.231 25850 8301 1 15 . 1 1 84 84 SER H H 84 8.180 8.180 8.326 -0.146 25850 8302 1 15 . 1 1 85 85 GLY N N 85 110.681 110.681 110.036 0.645 25850 8303 1 15 . 1 1 85 85 GLY C C 85 174.063 174.063 172.497 1.566 25850 8304 1 15 . 1 1 85 85 GLY CA C 85 45.395 45.395 45.511 -0.116 25850 8305 1 15 . 1 1 85 85 GLY H H 85 8.472 8.472 7.978 0.494 25850 8306 1 15 . 1 1 86 86 ASP N N 86 120.537 120.537 124.525 -3.988 25850 8307 1 15 . 1 1 86 86 ASP HA H 86 4.597 4.597 4.718 -0.121 25850 8308 1 15 . 1 1 86 86 ASP C C 86 176.761 176.761 175.873 0.888 25850 8309 1 15 . 1 1 86 86 ASP CA C 86 54.451 54.451 53.587 0.863 25850 8310 1 15 . 1 1 86 86 ASP CB C 86 41.069 41.069 43.204 -2.135 25850 8311 1 15 . 1 1 86 86 ASP H H 86 8.272 8.272 8.030 0.242 25850 8312 1 15 . 1 1 87 87 LYS N N 87 121.608 121.608 119.829 1.779 25850 8313 1 15 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.393 -0.147 25850 8314 1 15 . 1 1 87 87 LYS C C 87 177.342 177.342 176.825 0.517 25850 8315 1 15 . 1 1 87 87 LYS CA C 87 56.545 56.545 55.965 0.580 25850 8316 1 15 . 1 1 87 87 LYS CB C 87 32.302 32.302 32.740 -0.438 25850 8317 1 15 . 1 1 87 87 LYS H H 87 8.344 8.344 8.752 -0.408 25850 8318 1 15 . 1 1 88 88 GLY N N 88 108.711 108.711 108.593 0.118 25850 8319 1 15 . 1 1 88 88 GLY C C 88 174.216 174.216 173.383 0.833 25850 8320 1 15 . 1 1 88 88 GLY CA C 88 45.339 45.339 45.715 -0.376 25850 8321 1 15 . 1 1 88 88 GLY H H 88 8.449 8.449 8.499 -0.050 25850 8322 1 15 . 1 1 89 89 LYS N N 89 120.508 120.508 117.799 2.709 25850 8323 1 15 . 1 1 89 89 LYS HA H 89 4.266 4.266 4.482 -0.216 25850 8324 1 15 . 1 1 89 89 LYS C C 89 176.464 176.464 175.637 0.827 25850 8325 1 15 . 1 1 89 89 LYS CA C 89 56.214 56.214 55.905 0.309 25850 8326 1 15 . 1 1 89 89 LYS CB C 89 32.824 32.824 33.517 -0.693 25850 8327 1 15 . 1 1 89 89 LYS H H 89 7.958 7.958 7.870 0.088 25850 8328 1 15 . 1 1 90 90 ILE N N 90 121.127 121.127 123.715 -2.588 25850 8329 1 15 . 1 1 90 90 ILE HA H 90 4.091 4.091 4.252 -0.161 25850 8330 1 15 . 1 1 90 90 ILE C C 90 175.896 175.896 175.023 0.873 25850 8331 1 15 . 1 1 90 90 ILE CA C 90 61.022 61.022 60.401 0.621 25850 8332 1 15 . 1 1 90 90 ILE CB C 90 38.488 38.488 35.222 3.266 25850 8333 1 15 . 1 1 90 90 ILE H H 90 8.005 8.005 8.027 -0.022 25850 8334 1 15 . 1 1 91 91 PHE N N 91 123.843 123.843 128.411 -4.568 25850 8335 1 15 . 1 1 91 91 PHE HA H 91 4.615 4.615 4.832 -0.217 25850 8336 1 15 . 1 1 91 91 PHE C C 91 175.327 175.327 174.450 0.877 25850 8337 1 15 . 1 1 91 91 PHE CA C 91 57.565 57.565 57.058 0.507 25850 8338 1 15 . 1 1 91 91 PHE CB C 91 39.457 39.457 42.100 -2.643 25850 8339 1 15 . 1 1 91 91 PHE H H 91 8.283 8.283 7.909 0.374 25850 8340 1 15 . 1 1 92 92 GLN N N 92 122.349 122.349 126.240 -3.891 25850 8341 1 15 . 1 1 92 92 GLN HA H 92 4.296 4.296 4.203 0.093 25850 8342 1 15 . 1 1 92 92 GLN C C 92 175.338 175.338 174.450 0.888 25850 8343 1 15 . 1 1 92 92 GLN CA C 92 55.492 55.492 54.280 1.212 25850 8344 1 15 . 1 1 92 92 GLN CB C 92 29.708 29.708 29.933 -0.225 25850 8345 1 15 . 1 1 92 92 GLN H H 92 8.212 8.212 8.234 -0.022 25850 8346 1 15 . 1 1 93 93 LYS N N 93 123.137 123.137 125.796 -2.659 25850 8347 1 15 . 1 1 93 93 LYS HA H 93 4.250 4.250 4.001 0.249 25850 8348 1 15 . 1 1 93 93 LYS C C 93 176.492 176.492 176.256 0.236 25850 8349 1 15 . 1 1 93 93 LYS CA C 93 56.272 56.272 55.785 0.487 25850 8350 1 15 . 1 1 93 93 LYS CB C 93 33.055 33.055 32.892 0.164 25850 8351 1 15 . 1 1 93 93 LYS H H 93 8.364 8.364 8.401 -0.037 25850 8352 1 15 . 1 1 94 94 GLU N N 94 122.671 122.671 125.337 -2.666 25850 8353 1 15 . 1 1 94 94 GLU HA H 94 4.246 4.246 4.310 -0.064 25850 8354 1 15 . 1 1 94 94 GLU C C 94 177.008 177.008 176.164 0.844 25850 8355 1 15 . 1 1 94 94 GLU CA C 94 56.848 56.848 56.176 0.672 25850 8356 1 15 . 1 1 94 94 GLU CB C 94 30.054 30.054 28.930 1.124 25850 8357 1 15 . 1 1 94 94 GLU H H 94 8.571 8.571 8.745 -0.174 25850 8358 1 15 . 1 1 95 95 GLY N N 95 110.337 110.337 111.900 -1.563 25850 8359 1 15 . 1 1 95 95 GLY C C 95 174.070 174.070 173.087 0.983 25850 8360 1 15 . 1 1 95 95 GLY CA C 95 45.191 45.191 44.935 0.256 25850 8361 1 15 . 1 1 95 95 GLY H H 95 8.490 8.490 7.845 0.645 25850 8362 1 15 . 1 1 96 96 GLU N N 96 120.183 120.183 122.705 -2.522 25850 8363 1 15 . 1 1 96 96 GLU HA H 96 4.339 4.339 4.239 0.100 25850 8364 1 15 . 1 1 96 96 GLU C C 96 176.463 176.463 176.574 -0.111 25850 8365 1 15 . 1 1 96 96 GLU CA C 96 56.204 56.204 56.448 -0.244 25850 8366 1 15 . 1 1 96 96 GLU CB C 96 30.433 30.433 30.181 0.252 25850 8367 1 15 . 1 1 96 96 GLU H H 96 8.142 8.142 8.498 -0.356 25850 8368 1 15 . 1 1 97 97 SER N N 97 116.979 116.979 121.032 -4.053 25850 8369 1 15 . 1 1 97 97 SER HA H 97 4.472 4.472 4.396 0.076 25850 8370 1 15 . 1 1 97 97 SER C C 97 174.162 174.162 174.474 -0.312 25850 8371 1 15 . 1 1 97 97 SER CA C 97 58.070 58.070 58.822 -0.752 25850 8372 1 15 . 1 1 97 97 SER CB C 97 63.710 63.710 62.200 1.510 25850 8373 1 15 . 1 1 97 97 SER H H 97 8.381 8.381 8.517 -0.136 25850 8374 1 15 . 1 1 98 98 ILE N N 98 122.626 122.626 122.643 -0.017 25850 8375 1 15 . 1 1 98 98 ILE HA H 98 4.201 4.201 4.257 -0.056 25850 8376 1 15 . 1 1 98 98 ILE C C 98 175.921 175.921 175.549 0.372 25850 8377 1 15 . 1 1 98 98 ILE CA C 98 60.947 60.947 60.973 -0.026 25850 8378 1 15 . 1 1 98 98 ILE CB C 98 38.616 38.616 38.545 0.071 25850 8379 1 15 . 1 1 98 98 ILE H H 98 8.216 8.216 7.784 0.432 25850 8380 1 15 . 1 1 99 99 LEU N N 99 126.765 126.765 123.699 3.066 25850 8381 1 15 . 1 1 99 99 LEU HA H 99 4.399 4.399 4.933 -0.534 25850 8382 1 15 . 1 1 99 99 LEU C C 99 176.093 176.093 177.109 -1.016 25850 8383 1 15 . 1 1 99 99 LEU CA C 99 54.853 54.853 54.441 0.412 25850 8384 1 15 . 1 1 99 99 LEU CB C 99 42.135 42.135 42.843 -0.708 25850 8385 1 15 . 1 1 99 99 LEU H H 99 8.326 8.326 8.875 -0.549 25850 8386 1 16 . 1 1 2 2 GLY C C 2 173.891 173.891 174.406 -0.515 25850 8387 1 16 . 1 1 2 2 GLY CA C 2 44.831 44.831 44.761 0.070 25850 8388 1 16 . 1 1 3 3 SER N N 3 117.545 117.545 117.041 0.504 25850 8389 1 16 . 1 1 3 3 SER HA H 3 4.799 4.799 4.535 0.264 25850 8390 1 16 . 1 1 3 3 SER C C 3 173.162 173.162 174.179 -1.017 25850 8391 1 16 . 1 1 3 3 SER CA C 3 56.530 56.530 57.348 -0.818 25850 8392 1 16 . 1 1 3 3 SER CB C 3 63.002 63.002 63.557 -0.555 25850 8393 1 16 . 1 1 3 3 SER H H 3 8.428 8.428 8.242 0.186 25850 8394 1 16 . 1 1 4 4 PRO HA H 4 4.644 4.644 4.064 0.580 25850 8395 1 16 . 1 1 4 4 PRO C C 4 178.093 178.093 178.123 -0.030 25850 8396 1 16 . 1 1 4 4 PRO CA C 4 65.378 65.378 66.207 -0.828 25850 8397 1 16 . 1 1 4 4 PRO CB C 4 31.965 31.965 31.666 0.299 25850 8398 1 16 . 1 1 5 5 ASP N N 5 115.270 115.270 114.778 0.492 25850 8399 1 16 . 1 1 5 5 ASP HA H 5 4.353 4.353 4.378 -0.025 25850 8400 1 16 . 1 1 5 5 ASP C C 5 178.915 178.915 178.631 0.284 25850 8401 1 16 . 1 1 5 5 ASP CA C 5 56.796 56.796 57.503 -0.707 25850 8402 1 16 . 1 1 5 5 ASP CB C 5 40.690 40.690 40.118 0.572 25850 8403 1 16 . 1 1 5 5 ASP H H 5 8.233 8.233 8.816 -0.583 25850 8404 1 16 . 1 1 6 6 GLU N N 6 121.390 121.390 120.348 1.042 25850 8405 1 16 . 1 1 6 6 GLU HA H 6 4.027 4.027 3.984 0.043 25850 8406 1 16 . 1 1 6 6 GLU C C 6 178.836 178.836 178.397 0.439 25850 8407 1 16 . 1 1 6 6 GLU CA C 6 58.594 58.594 59.184 -0.590 25850 8408 1 16 . 1 1 6 6 GLU CB C 6 29.641 29.641 29.548 0.093 25850 8409 1 16 . 1 1 6 6 GLU H H 6 7.770 7.770 7.839 -0.069 25850 8410 1 16 . 1 1 7 7 ASN N N 7 119.966 119.966 117.277 2.689 25850 8411 1 16 . 1 1 7 7 ASN HA H 7 4.155 4.155 4.373 -0.218 25850 8412 1 16 . 1 1 7 7 ASN C C 7 176.723 176.723 177.546 -0.823 25850 8413 1 16 . 1 1 7 7 ASN CA C 7 55.007 55.007 55.449 -0.442 25850 8414 1 16 . 1 1 7 7 ASN CB C 7 36.627 36.627 38.211 -1.584 25850 8415 1 16 . 1 1 7 7 ASN H H 7 8.378 8.378 7.969 0.409 25850 8416 1 16 . 1 1 8 8 ILE N N 8 119.915 119.915 121.330 -1.415 25850 8417 1 16 . 1 1 8 8 ILE HA H 8 3.608 3.608 3.811 -0.203 25850 8418 1 16 . 1 1 8 8 ILE CA C 8 66.495 66.495 65.529 0.966 25850 8419 1 16 . 1 1 8 8 ILE CB C 8 37.558 37.558 37.664 -0.106 25850 8420 1 16 . 1 1 8 8 ILE H H 8 8.626 8.626 7.682 0.944 25850 8421 1 16 . 1 1 9 9 ALA N N 9 121.268 121.268 121.501 -0.233 25850 8422 1 16 . 1 1 9 9 ALA HA H 9 4.235 4.235 4.241 -0.006 25850 8423 1 16 . 1 1 9 9 ALA C C 9 180.624 180.624 179.449 1.175 25850 8424 1 16 . 1 1 9 9 ALA CA C 9 54.922 54.922 54.822 0.100 25850 8425 1 16 . 1 1 9 9 ALA CB C 9 17.710 17.710 18.203 -0.493 25850 8426 1 16 . 1 1 9 9 ALA H H 9 7.597 7.597 7.658 -0.061 25850 8427 1 16 . 1 1 10 10 LYS N N 10 118.798 118.798 119.453 -0.655 25850 8428 1 16 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.961 0.050 25850 8429 1 16 . 1 1 10 10 LYS C C 10 180.034 180.034 178.833 1.201 25850 8430 1 16 . 1 1 10 10 LYS CA C 10 59.264 59.264 58.818 0.446 25850 8431 1 16 . 1 1 10 10 LYS CB C 10 31.744 31.744 31.917 -0.173 25850 8432 1 16 . 1 1 10 10 LYS H H 10 7.569 7.569 7.316 0.253 25850 8433 1 16 . 1 1 11 11 PHE N N 11 121.394 121.394 117.190 4.204 25850 8434 1 16 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.358 0.370 25850 8435 1 16 . 1 1 11 11 PHE C C 11 178.445 178.445 178.483 -0.038 25850 8436 1 16 . 1 1 11 11 PHE CA C 11 59.549 59.549 60.284 -0.735 25850 8437 1 16 . 1 1 11 11 PHE CB C 11 39.001 39.001 38.400 0.601 25850 8438 1 16 . 1 1 11 11 PHE H H 11 8.347 8.347 7.319 1.028 25850 8439 1 16 . 1 1 12 12 GLU N N 12 121.864 121.864 119.785 2.079 25850 8440 1 16 . 1 1 12 12 GLU HA H 12 4.127 4.127 4.127 0.000 25850 8441 1 16 . 1 1 12 12 GLU C C 12 179.600 179.600 178.918 0.682 25850 8442 1 16 . 1 1 12 12 GLU CA C 12 59.803 59.803 59.505 0.298 25850 8443 1 16 . 1 1 12 12 GLU CB C 12 29.488 29.488 29.182 0.306 25850 8444 1 16 . 1 1 12 12 GLU H H 12 9.184 9.184 8.410 0.774 25850 8445 1 16 . 1 1 13 13 LYS N N 13 120.472 120.472 119.783 0.689 25850 8446 1 16 . 1 1 13 13 LYS HA H 13 4.127 4.127 4.103 0.024 25850 8447 1 16 . 1 1 13 13 LYS C C 13 179.120 179.120 178.877 0.243 25850 8448 1 16 . 1 1 13 13 LYS CA C 13 59.308 59.308 59.366 -0.058 25850 8449 1 16 . 1 1 13 13 LYS CB C 13 32.147 32.147 32.239 -0.092 25850 8450 1 16 . 1 1 13 13 LYS H H 13 7.800 7.800 7.603 0.197 25850 8451 1 16 . 1 1 14 14 ALA N N 14 122.753 122.753 121.622 1.131 25850 8452 1 16 . 1 1 14 14 ALA HA H 14 4.205 4.205 4.201 0.004 25850 8453 1 16 . 1 1 14 14 ALA C C 14 180.640 180.640 179.768 0.872 25850 8454 1 16 . 1 1 14 14 ALA CA C 14 54.756 54.756 54.831 -0.075 25850 8455 1 16 . 1 1 14 14 ALA CB C 14 17.913 17.913 18.292 -0.379 25850 8456 1 16 . 1 1 14 14 ALA H H 14 8.001 8.001 7.629 0.372 25850 8457 1 16 . 1 1 15 15 TYR HA H 15 3.850 3.850 4.273 -0.423 25850 8458 1 16 . 1 1 15 15 TYR C C 15 175.898 175.898 177.581 -1.683 25850 8459 1 16 . 1 1 15 15 TYR CA C 15 62.008 62.008 61.016 0.992 25850 8460 1 16 . 1 1 15 15 TYR CB C 15 37.756 37.756 38.721 -0.965 25850 8461 1 16 . 1 1 15 15 TYR H H 15 8.906 8.906 7.894 1.012 25850 8462 1 16 . 1 1 16 16 LYS N N 16 119.082 119.082 118.667 0.415 25850 8463 1 16 . 1 1 16 16 LYS HA H 16 3.985 3.985 3.895 0.090 25850 8464 1 16 . 1 1 16 16 LYS C C 16 179.068 179.068 178.798 0.270 25850 8465 1 16 . 1 1 16 16 LYS CA C 16 58.622 58.622 59.293 -0.671 25850 8466 1 16 . 1 1 16 16 LYS CB C 16 32.131 32.131 32.349 -0.218 25850 8467 1 16 . 1 1 16 16 LYS H H 16 8.059 8.059 8.323 -0.264 25850 8468 1 16 . 1 1 17 17 LYS N N 17 119.708 119.708 120.053 -0.345 25850 8469 1 16 . 1 1 17 17 LYS HA H 17 4.142 4.142 4.117 0.025 25850 8470 1 16 . 1 1 17 17 LYS CA C 17 57.951 57.951 57.976 -0.025 25850 8471 1 16 . 1 1 17 17 LYS CB C 17 31.802 31.802 31.985 -0.183 25850 8472 1 16 . 1 1 17 17 LYS H H 17 7.900 7.900 7.931 -0.031 25850 8473 1 16 . 1 1 18 18 ALA N N 18 120.860 120.860 121.955 -1.095 25850 8474 1 16 . 1 1 18 18 ALA HA H 18 4.329 4.329 4.043 0.286 25850 8475 1 16 . 1 1 18 18 ALA C C 18 179.572 179.572 179.611 -0.039 25850 8476 1 16 . 1 1 18 18 ALA CA C 18 54.110 54.110 55.258 -1.148 25850 8477 1 16 . 1 1 18 18 ALA CB C 18 18.782 18.782 18.057 0.725 25850 8478 1 16 . 1 1 18 18 ALA H H 18 7.854 7.854 7.754 0.100 25850 8479 1 16 . 1 1 19 19 GLU N N 19 120.904 120.904 118.783 2.121 25850 8480 1 16 . 1 1 19 19 GLU HA H 19 4.240 4.240 3.904 0.336 25850 8481 1 16 . 1 1 19 19 GLU C C 19 180.268 180.268 178.517 1.751 25850 8482 1 16 . 1 1 19 19 GLU CA C 19 59.147 59.147 58.632 0.515 25850 8483 1 16 . 1 1 19 19 GLU CB C 19 29.889 29.889 29.370 0.519 25850 8484 1 16 . 1 1 19 19 GLU H H 19 8.690 8.690 7.819 0.871 25850 8485 1 16 . 1 1 20 20 GLU N N 20 120.868 120.868 118.615 2.253 25850 8486 1 16 . 1 1 20 20 GLU HA H 20 4.024 4.024 4.116 -0.092 25850 8487 1 16 . 1 1 20 20 GLU C C 20 177.975 177.975 178.395 -0.420 25850 8488 1 16 . 1 1 20 20 GLU CA C 20 58.935 58.935 58.800 0.135 25850 8489 1 16 . 1 1 20 20 GLU CB C 20 29.549 29.549 29.556 -0.007 25850 8490 1 16 . 1 1 20 20 GLU H H 20 7.898 7.898 7.697 0.201 25850 8491 1 16 . 1 1 21 21 LEU N N 21 116.701 116.701 116.952 -0.251 25850 8492 1 16 . 1 1 21 21 LEU HA H 21 4.351 4.351 4.317 0.034 25850 8493 1 16 . 1 1 21 21 LEU C C 21 176.199 176.199 176.024 0.175 25850 8494 1 16 . 1 1 21 21 LEU CA C 21 54.158 54.158 54.860 -0.702 25850 8495 1 16 . 1 1 21 21 LEU CB C 21 41.776 41.776 42.698 -0.922 25850 8496 1 16 . 1 1 21 21 LEU H H 21 7.393 7.393 7.582 -0.189 25850 8497 1 16 . 1 1 22 22 ASN N N 22 118.557 118.557 115.111 3.446 25850 8498 1 16 . 1 1 22 22 ASN HA H 22 4.278 4.278 4.405 -0.127 25850 8499 1 16 . 1 1 22 22 ASN C C 22 174.436 174.436 174.412 0.024 25850 8500 1 16 . 1 1 22 22 ASN CA C 22 54.104 54.104 54.152 -0.048 25850 8501 1 16 . 1 1 22 22 ASN CB C 22 37.364 37.364 36.483 0.881 25850 8502 1 16 . 1 1 22 22 ASN H H 22 7.994 7.994 7.541 0.453 25850 8503 1 16 . 1 1 23 23 GLN N N 23 118.344 118.344 118.481 -0.137 25850 8504 1 16 . 1 1 23 23 GLN HA H 23 4.557 4.557 4.678 -0.121 25850 8505 1 16 . 1 1 23 23 GLN C C 23 176.685 176.685 176.080 0.605 25850 8506 1 16 . 1 1 23 23 GLN CA C 23 53.983 53.983 54.093 -0.110 25850 8507 1 16 . 1 1 23 23 GLN CB C 23 27.770 27.770 27.906 -0.136 25850 8508 1 16 . 1 1 23 23 GLN H H 23 8.378 8.378 8.120 0.258 25850 8509 1 16 . 1 1 24 24 GLY N N 24 113.071 113.071 112.759 0.312 25850 8510 1 16 . 1 1 24 24 GLY C C 24 175.286 175.286 175.321 -0.035 25850 8511 1 16 . 1 1 24 24 GLY CA C 24 47.823 47.823 47.469 0.354 25850 8512 1 16 . 1 1 24 24 GLY H H 24 8.468 8.468 8.760 -0.292 25850 8513 1 16 . 1 1 25 25 GLU N N 25 120.717 120.717 122.117 -1.400 25850 8514 1 16 . 1 1 25 25 GLU HA H 25 4.124 4.124 4.126 -0.002 25850 8515 1 16 . 1 1 25 25 GLU C C 25 176.495 176.495 178.934 -2.439 25850 8516 1 16 . 1 1 25 25 GLU CA C 25 59.621 59.621 58.918 0.703 25850 8517 1 16 . 1 1 25 25 GLU CB C 25 28.636 28.636 28.929 -0.293 25850 8518 1 16 . 1 1 25 25 GLU H H 25 9.067 9.067 8.056 1.011 25850 8519 1 16 . 1 1 26 26 LEU HA H 26 4.222 4.222 4.143 0.079 25850 8520 1 16 . 1 1 26 26 LEU C C 26 180.590 180.590 179.432 1.158 25850 8521 1 16 . 1 1 26 26 LEU CA C 26 56.882 56.882 57.148 -0.266 25850 8522 1 16 . 1 1 26 26 LEU CB C 26 41.231 41.231 41.873 -0.642 25850 8523 1 16 . 1 1 26 26 LEU H H 26 7.165 7.165 7.530 -0.365 25850 8524 1 16 . 1 1 27 27 MET N N 27 121.053 121.053 118.677 2.376 25850 8525 1 16 . 1 1 27 27 MET HA H 27 3.932 3.932 4.210 -0.278 25850 8526 1 16 . 1 1 27 27 MET CA C 27 59.980 59.980 59.915 0.065 25850 8527 1 16 . 1 1 27 27 MET CB C 27 34.537 34.537 32.295 2.242 25850 8528 1 16 . 1 1 27 27 MET H H 27 8.203 8.203 7.924 0.279 25850 8529 1 16 . 1 1 28 28 GLY N N 28 106.038 106.038 106.769 -0.731 25850 8530 1 16 . 1 1 28 28 GLY C C 28 174.900 174.900 175.673 -0.773 25850 8531 1 16 . 1 1 28 28 GLY CA C 28 47.672 47.672 46.520 1.152 25850 8532 1 16 . 1 1 28 28 GLY H H 28 8.527 8.527 8.476 0.051 25850 8533 1 16 . 1 1 29 29 ARG N N 29 120.201 120.201 121.582 -1.381 25850 8534 1 16 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.372 -0.177 25850 8535 1 16 . 1 1 29 29 ARG C C 29 178.065 178.065 178.749 -0.684 25850 8536 1 16 . 1 1 29 29 ARG CA C 29 59.974 59.974 59.404 0.570 25850 8537 1 16 . 1 1 29 29 ARG CB C 29 30.416 30.416 30.286 0.130 25850 8538 1 16 . 1 1 29 29 ARG H H 29 8.224 8.224 8.031 0.193 25850 8539 1 16 . 1 1 30 30 ALA N N 30 121.394 121.394 123.389 -1.995 25850 8540 1 16 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.223 -0.026 25850 8541 1 16 . 1 1 30 30 ALA C C 30 179.433 179.433 179.471 -0.038 25850 8542 1 16 . 1 1 30 30 ALA CA C 30 55.838 55.838 55.105 0.733 25850 8543 1 16 . 1 1 30 30 ALA CB C 30 18.269 18.269 18.374 -0.105 25850 8544 1 16 . 1 1 30 30 ALA H H 30 7.876 7.876 8.020 -0.144 25850 8545 1 16 . 1 1 31 31 LEU N N 31 116.122 116.122 119.151 -3.029 25850 8546 1 16 . 1 1 31 31 LEU HA H 31 4.003 4.003 3.794 0.209 25850 8547 1 16 . 1 1 31 31 LEU C C 31 178.416 178.416 178.948 -0.532 25850 8548 1 16 . 1 1 31 31 LEU CA C 31 57.921 57.921 57.734 0.187 25850 8549 1 16 . 1 1 31 31 LEU CB C 31 42.463 42.463 41.699 0.764 25850 8550 1 16 . 1 1 31 31 LEU H H 31 8.084 8.084 7.873 0.211 25850 8551 1 16 . 1 1 32 32 TYR N N 32 119.225 119.225 120.224 -0.999 25850 8552 1 16 . 1 1 32 32 TYR HA H 32 4.063 4.063 4.328 -0.265 25850 8553 1 16 . 1 1 32 32 TYR C C 32 176.310 176.310 177.649 -1.339 25850 8554 1 16 . 1 1 32 32 TYR CA C 32 61.992 61.992 61.466 0.526 25850 8555 1 16 . 1 1 32 32 TYR CB C 32 38.659 38.659 38.471 0.188 25850 8556 1 16 . 1 1 32 32 TYR H H 32 8.562 8.562 8.599 -0.037 25850 8557 1 16 . 1 1 33 33 ASN N N 33 116.880 116.880 117.579 -0.699 25850 8558 1 16 . 1 1 33 33 ASN HA H 33 4.068 4.068 3.990 0.078 25850 8559 1 16 . 1 1 33 33 ASN C C 33 178.353 178.353 177.495 0.858 25850 8560 1 16 . 1 1 33 33 ASN CA C 33 55.858 55.858 55.975 -0.117 25850 8561 1 16 . 1 1 33 33 ASN CB C 33 35.968 35.968 37.412 -1.444 25850 8562 1 16 . 1 1 33 33 ASN H H 33 8.213 8.213 7.816 0.397 25850 8563 1 16 . 1 1 34 34 ILE N N 34 121.401 121.401 119.899 1.502 25850 8564 1 16 . 1 1 34 34 ILE HA H 34 3.300 3.300 3.456 -0.156 25850 8565 1 16 . 1 1 34 34 ILE C C 34 177.867 177.867 177.631 0.236 25850 8566 1 16 . 1 1 34 34 ILE CA C 34 66.528 66.528 65.404 1.124 25850 8567 1 16 . 1 1 34 34 ILE CB C 34 37.839 37.839 37.170 0.669 25850 8568 1 16 . 1 1 34 34 ILE H H 34 8.087 8.087 8.068 0.019 25850 8569 1 16 . 1 1 35 35 GLY N N 35 107.275 107.275 107.565 -0.290 25850 8570 1 16 . 1 1 35 35 GLY C C 35 175.048 175.048 175.776 -0.728 25850 8571 1 16 . 1 1 35 35 GLY CA C 35 48.547 48.547 46.721 1.826 25850 8572 1 16 . 1 1 35 35 GLY H H 35 7.922 7.922 7.748 0.174 25850 8573 1 16 . 1 1 36 36 LEU N N 36 120.414 120.414 121.823 -1.409 25850 8574 1 16 . 1 1 36 36 LEU HA H 36 4.048 4.048 3.999 0.049 25850 8575 1 16 . 1 1 36 36 LEU C C 36 180.804 180.804 178.869 1.935 25850 8576 1 16 . 1 1 36 36 LEU CA C 36 58.063 58.063 57.667 0.396 25850 8577 1 16 . 1 1 36 36 LEU CB C 36 41.701 41.701 41.438 0.264 25850 8578 1 16 . 1 1 36 36 LEU H H 36 8.177 8.177 7.780 0.397 25850 8579 1 16 . 1 1 37 37 GLU N N 37 120.083 120.083 118.961 1.122 25850 8580 1 16 . 1 1 37 37 GLU HA H 37 4.075 4.075 4.047 0.028 25850 8581 1 16 . 1 1 37 37 GLU C C 37 179.517 179.517 179.236 0.281 25850 8582 1 16 . 1 1 37 37 GLU CA C 37 58.603 58.603 59.035 -0.431 25850 8583 1 16 . 1 1 37 37 GLU CB C 37 29.799 29.799 28.855 0.945 25850 8584 1 16 . 1 1 37 37 GLU H H 37 7.750 7.750 7.830 -0.080 25850 8585 1 16 . 1 1 38 38 LYS N N 38 118.263 118.263 119.215 -0.952 25850 8586 1 16 . 1 1 38 38 LYS HA H 38 3.862 3.862 3.964 -0.102 25850 8587 1 16 . 1 1 38 38 LYS C C 38 179.253 179.253 178.595 0.658 25850 8588 1 16 . 1 1 38 38 LYS CA C 38 57.937 57.937 59.167 -1.230 25850 8589 1 16 . 1 1 38 38 LYS CB C 38 30.769 30.769 32.030 -1.261 25850 8590 1 16 . 1 1 38 38 LYS H H 38 8.550 8.550 7.918 0.632 25850 8591 1 16 . 1 1 39 39 ASN N N 39 118.329 118.329 117.126 1.203 25850 8592 1 16 . 1 1 39 39 ASN HA H 39 4.193 4.193 4.482 -0.289 25850 8593 1 16 . 1 1 39 39 ASN C C 39 179.428 179.428 177.622 1.806 25850 8594 1 16 . 1 1 39 39 ASN CA C 39 56.177 56.177 55.840 0.337 25850 8595 1 16 . 1 1 39 39 ASN CB C 39 38.478 38.478 38.692 -0.214 25850 8596 1 16 . 1 1 39 39 ASN H H 39 8.294 8.294 8.058 0.236 25850 8597 1 16 . 1 1 40 40 LYS N N 40 121.176 121.176 118.571 2.605 25850 8598 1 16 . 1 1 40 40 LYS HA H 40 4.047 4.047 4.210 -0.163 25850 8599 1 16 . 1 1 40 40 LYS C C 40 178.229 178.229 178.444 -0.215 25850 8600 1 16 . 1 1 40 40 LYS CA C 40 59.471 59.471 58.620 0.851 25850 8601 1 16 . 1 1 40 40 LYS CB C 40 32.427 32.427 32.114 0.313 25850 8602 1 16 . 1 1 40 40 LYS H H 40 7.912 7.912 7.801 0.111 25850 8603 1 16 . 1 1 41 41 MET N N 41 114.548 114.548 117.123 -2.575 25850 8604 1 16 . 1 1 41 41 MET HA H 41 4.512 4.512 4.429 0.083 25850 8605 1 16 . 1 1 41 41 MET C C 41 175.915 175.915 176.945 -1.030 25850 8606 1 16 . 1 1 41 41 MET CA C 41 55.529 55.529 56.075 -0.546 25850 8607 1 16 . 1 1 41 41 MET CB C 41 34.022 34.022 33.059 0.962 25850 8608 1 16 . 1 1 41 41 MET H H 41 7.389 7.389 7.784 -0.395 25850 8609 1 16 . 1 1 42 42 GLY N N 42 107.409 107.409 106.840 0.569 25850 8610 1 16 . 1 1 42 42 GLY C C 42 175.041 175.041 174.831 0.210 25850 8611 1 16 . 1 1 42 42 GLY CA C 42 45.335 45.335 45.044 0.291 25850 8612 1 16 . 1 1 42 42 GLY H H 42 7.929 7.929 7.532 0.397 25850 8613 1 16 . 1 1 43 43 LYS N N 43 124.326 124.326 122.401 1.925 25850 8614 1 16 . 1 1 43 43 LYS HA H 43 4.684 4.684 4.455 0.229 25850 8615 1 16 . 1 1 43 43 LYS C C 43 176.514 176.514 176.477 0.037 25850 8616 1 16 . 1 1 43 43 LYS CA C 43 53.791 53.791 54.606 -0.815 25850 8617 1 16 . 1 1 43 43 LYS CB C 43 30.065 30.065 30.904 -0.839 25850 8618 1 16 . 1 1 43 43 LYS H H 43 8.040 8.040 8.109 -0.069 25850 8619 1 16 . 1 1 44 44 VAL N N 44 121.020 121.020 120.959 0.061 25850 8620 1 16 . 1 1 44 44 VAL HA H 44 3.580 3.580 3.602 -0.022 25850 8621 1 16 . 1 1 44 44 VAL C C 44 177.096 177.096 177.426 -0.330 25850 8622 1 16 . 1 1 44 44 VAL CA C 44 66.166 66.166 66.564 -0.398 25850 8623 1 16 . 1 1 44 44 VAL CB C 44 31.869 31.869 31.869 0.000 25850 8624 1 16 . 1 1 44 44 VAL H H 44 7.439 7.439 7.589 -0.150 25850 8625 1 16 . 1 1 45 45 LYS N N 45 119.164 119.164 119.378 -0.214 25850 8626 1 16 . 1 1 45 45 LYS HA H 45 3.950 3.950 4.008 -0.058 25850 8627 1 16 . 1 1 45 45 LYS C C 45 179.726 179.726 178.929 0.797 25850 8628 1 16 . 1 1 45 45 LYS CA C 45 60.153 60.153 59.498 0.655 25850 8629 1 16 . 1 1 45 45 LYS CB C 45 31.446 31.446 31.412 0.034 25850 8630 1 16 . 1 1 45 45 LYS H H 45 8.427 8.427 8.598 -0.171 25850 8631 1 16 . 1 1 46 46 GLU N N 46 118.446 118.446 119.745 -1.299 25850 8632 1 16 . 1 1 46 46 GLU HA H 46 4.092 4.092 3.949 0.143 25850 8633 1 16 . 1 1 46 46 GLU C C 46 178.490 178.490 178.576 -0.086 25850 8634 1 16 . 1 1 46 46 GLU CA C 46 59.327 59.327 59.109 0.218 25850 8635 1 16 . 1 1 46 46 GLU CB C 46 29.764 29.764 29.418 0.346 25850 8636 1 16 . 1 1 46 46 GLU H H 46 7.867 7.867 7.783 0.084 25850 8637 1 16 . 1 1 47 47 ALA N N 47 122.279 122.279 122.987 -0.708 25850 8638 1 16 . 1 1 47 47 ALA HA H 47 3.513 3.513 3.688 -0.175 25850 8639 1 16 . 1 1 47 47 ALA C C 47 178.065 178.065 178.983 -0.918 25850 8640 1 16 . 1 1 47 47 ALA CA C 47 55.905 55.905 55.030 0.875 25850 8641 1 16 . 1 1 47 47 ALA CB C 47 18.256 18.256 18.180 0.076 25850 8642 1 16 . 1 1 47 47 ALA H H 47 8.315 8.315 7.793 0.522 25850 8643 1 16 . 1 1 48 48 ILE N N 48 115.863 115.863 118.080 -2.217 25850 8644 1 16 . 1 1 48 48 ILE HA H 48 3.401 3.401 3.498 -0.097 25850 8645 1 16 . 1 1 48 48 ILE C C 48 176.808 176.808 177.976 -1.168 25850 8646 1 16 . 1 1 48 48 ILE CA C 48 66.282 66.282 65.531 0.751 25850 8647 1 16 . 1 1 48 48 ILE CB C 48 38.375 38.375 37.596 0.779 25850 8648 1 16 . 1 1 48 48 ILE H H 48 8.077 8.077 7.769 0.308 25850 8649 1 16 . 1 1 49 49 GLU N N 49 116.853 116.853 118.636 -1.783 25850 8650 1 16 . 1 1 49 49 GLU HA H 49 3.920 3.920 3.895 0.025 25850 8651 1 16 . 1 1 49 49 GLU C C 49 179.914 179.914 179.257 0.657 25850 8652 1 16 . 1 1 49 49 GLU CA C 49 59.535 59.535 59.150 0.385 25850 8653 1 16 . 1 1 49 49 GLU CB C 49 28.995 28.995 29.009 -0.014 25850 8654 1 16 . 1 1 49 49 GLU H H 49 7.175 7.175 7.567 -0.392 25850 8655 1 16 . 1 1 50 50 TYR N N 50 117.578 117.578 119.513 -1.935 25850 8656 1 16 . 1 1 50 50 TYR HA H 50 3.774 3.774 4.149 -0.375 25850 8657 1 16 . 1 1 50 50 TYR C C 50 178.462 178.462 178.432 0.030 25850 8658 1 16 . 1 1 50 50 TYR CA C 50 64.368 64.368 61.569 2.799 25850 8659 1 16 . 1 1 50 50 TYR CB C 50 37.345 37.345 37.994 -0.649 25850 8660 1 16 . 1 1 50 50 TYR H H 50 7.676 7.676 7.845 -0.169 25850 8661 1 16 . 1 1 51 51 PHE N N 51 119.480 119.480 117.775 1.705 25850 8662 1 16 . 1 1 51 51 PHE HA H 51 4.711 4.711 4.491 0.220 25850 8663 1 16 . 1 1 51 51 PHE C C 51 178.720 178.720 178.109 0.611 25850 8664 1 16 . 1 1 51 51 PHE CA C 51 58.958 58.958 59.719 -0.761 25850 8665 1 16 . 1 1 51 51 PHE CB C 51 37.771 37.771 38.028 -0.257 25850 8666 1 16 . 1 1 51 51 PHE H H 51 9.013 9.013 8.042 0.971 25850 8667 1 16 . 1 1 52 52 LEU N N 52 120.365 120.365 120.361 0.004 25850 8668 1 16 . 1 1 52 52 LEU HA H 52 4.093 4.093 4.056 0.037 25850 8669 1 16 . 1 1 52 52 LEU C C 52 180.229 180.229 179.023 1.206 25850 8670 1 16 . 1 1 52 52 LEU CA C 52 58.252 58.252 58.178 0.074 25850 8671 1 16 . 1 1 52 52 LEU CB C 52 42.160 42.160 41.556 0.604 25850 8672 1 16 . 1 1 52 52 LEU H H 52 8.906 8.906 8.442 0.464 25850 8673 1 16 . 1 1 53 53 ARG N N 53 119.294 119.294 119.239 0.055 25850 8674 1 16 . 1 1 53 53 ARG HA H 53 3.929 3.929 3.959 -0.030 25850 8675 1 16 . 1 1 53 53 ARG C C 53 179.087 179.087 178.477 0.610 25850 8676 1 16 . 1 1 53 53 ARG CA C 53 59.580 59.580 59.643 -0.063 25850 8677 1 16 . 1 1 53 53 ARG CB C 53 31.418 31.418 29.976 1.442 25850 8678 1 16 . 1 1 53 53 ARG H H 53 7.846 7.846 8.175 -0.329 25850 8679 1 16 . 1 1 54 54 ALA N N 54 121.351 121.351 121.661 -0.310 25850 8680 1 16 . 1 1 54 54 ALA HA H 54 3.693 3.693 3.760 -0.067 25850 8681 1 16 . 1 1 54 54 ALA C C 54 177.631 177.631 178.820 -1.189 25850 8682 1 16 . 1 1 54 54 ALA CA C 54 55.115 55.115 55.282 -0.167 25850 8683 1 16 . 1 1 54 54 ALA CB C 54 17.612 17.612 18.294 -0.682 25850 8684 1 16 . 1 1 54 54 ALA H H 54 8.892 8.892 8.278 0.614 25850 8685 1 16 . 1 1 55 55 LYS N N 55 117.135 117.135 118.737 -1.602 25850 8686 1 16 . 1 1 55 55 LYS HA H 55 3.835 3.835 4.304 -0.469 25850 8687 1 16 . 1 1 55 55 LYS C C 55 176.970 176.970 178.583 -1.613 25850 8688 1 16 . 1 1 55 55 LYS CA C 55 60.725 60.725 59.890 0.835 25850 8689 1 16 . 1 1 55 55 LYS CB C 55 32.602 32.602 32.361 0.241 25850 8690 1 16 . 1 1 55 55 LYS H H 55 8.626 8.626 7.951 0.675 25850 8691 1 16 . 1 1 56 56 LYS N N 56 116.695 116.695 119.567 -2.872 25850 8692 1 16 . 1 1 56 56 LYS HA H 56 4.171 4.171 4.242 -0.071 25850 8693 1 16 . 1 1 56 56 LYS C C 56 180.037 180.037 179.139 0.898 25850 8694 1 16 . 1 1 56 56 LYS CA C 56 59.606 59.606 59.352 0.254 25850 8695 1 16 . 1 1 56 56 LYS CB C 56 32.349 32.349 32.260 0.089 25850 8696 1 16 . 1 1 56 56 LYS H H 56 7.652 7.652 7.581 0.071 25850 8697 1 16 . 1 1 57 57 VAL N N 57 120.809 120.809 118.791 2.018 25850 8698 1 16 . 1 1 57 57 VAL HA H 57 3.753 3.753 3.698 0.055 25850 8699 1 16 . 1 1 57 57 VAL C C 57 178.174 178.174 178.030 0.144 25850 8700 1 16 . 1 1 57 57 VAL CA C 57 66.226 66.226 66.104 0.122 25850 8701 1 16 . 1 1 57 57 VAL CB C 57 31.424 31.424 31.327 0.097 25850 8702 1 16 . 1 1 57 57 VAL H H 57 7.583 7.583 7.535 0.048 25850 8703 1 16 . 1 1 58 58 PHE N N 58 118.864 118.864 119.438 -0.574 25850 8704 1 16 . 1 1 58 58 PHE HA H 58 4.521 4.521 4.251 0.270 25850 8705 1 16 . 1 1 58 58 PHE C C 58 179.187 179.187 177.728 1.459 25850 8706 1 16 . 1 1 58 58 PHE CA C 58 59.849 59.849 60.109 -0.260 25850 8707 1 16 . 1 1 58 58 PHE CB C 58 37.753 37.753 37.952 -0.199 25850 8708 1 16 . 1 1 58 58 PHE H H 58 8.871 8.871 8.105 0.766 25850 8709 1 16 . 1 1 59 59 ASP N N 59 119.714 119.714 119.277 0.437 25850 8710 1 16 . 1 1 59 59 ASP HA H 59 4.444 4.444 4.442 0.002 25850 8711 1 16 . 1 1 59 59 ASP C C 59 180.066 180.066 177.658 2.408 25850 8712 1 16 . 1 1 59 59 ASP CA C 59 57.201 57.201 56.830 0.371 25850 8713 1 16 . 1 1 59 59 ASP CB C 59 39.713 39.713 40.511 -0.798 25850 8714 1 16 . 1 1 59 59 ASP H H 59 9.157 9.157 8.147 1.010 25850 8715 1 16 . 1 1 60 60 ALA N N 60 124.290 124.290 120.784 3.506 25850 8716 1 16 . 1 1 60 60 ALA HA H 60 4.087 4.087 4.058 0.029 25850 8717 1 16 . 1 1 60 60 ALA C C 60 179.389 179.389 178.447 0.942 25850 8718 1 16 . 1 1 60 60 ALA CA C 60 54.760 54.760 53.946 0.814 25850 8719 1 16 . 1 1 60 60 ALA CB C 60 18.025 18.025 18.888 -0.863 25850 8720 1 16 . 1 1 60 60 ALA H H 60 7.742 7.742 7.534 0.208 25850 8721 1 16 . 1 1 61 61 GLU N N 61 114.493 114.493 115.491 -0.998 25850 8722 1 16 . 1 1 61 61 GLU HA H 61 4.259 4.259 4.255 0.004 25850 8723 1 16 . 1 1 61 61 GLU C C 61 175.970 175.970 176.635 -0.665 25850 8724 1 16 . 1 1 61 61 GLU CA C 61 55.049 55.049 55.917 -0.868 25850 8725 1 16 . 1 1 61 61 GLU CB C 61 29.724 29.724 30.575 -0.851 25850 8726 1 16 . 1 1 61 61 GLU H H 61 7.908 7.908 7.534 0.374 25850 8727 1 16 . 1 1 62 62 HIS N N 62 115.130 115.130 114.753 0.377 25850 8728 1 16 . 1 1 62 62 HIS HA H 62 4.264 4.264 4.290 -0.026 25850 8729 1 16 . 1 1 62 62 HIS C C 62 173.916 173.916 174.224 -0.308 25850 8730 1 16 . 1 1 62 62 HIS CA C 62 56.531 56.531 56.977 -0.446 25850 8731 1 16 . 1 1 62 62 HIS CB C 62 26.039 26.039 27.241 -1.202 25850 8732 1 16 . 1 1 62 62 HIS H H 62 7.830 7.830 7.732 0.098 25850 8733 1 16 . 1 1 63 63 ASP N N 63 118.507 118.507 120.541 -2.034 25850 8734 1 16 . 1 1 63 63 ASP HA H 63 4.854 4.854 4.805 0.049 25850 8735 1 16 . 1 1 63 63 ASP C C 63 176.143 176.143 176.328 -0.185 25850 8736 1 16 . 1 1 63 63 ASP CA C 63 52.127 52.127 54.517 -2.390 25850 8737 1 16 . 1 1 63 63 ASP CB C 63 40.068 40.068 39.779 0.289 25850 8738 1 16 . 1 1 63 63 ASP H H 63 8.521 8.521 8.416 0.105 25850 8739 1 16 . 1 1 64 64 THR N N 64 119.037 119.037 117.720 1.317 25850 8740 1 16 . 1 1 64 64 THR HA H 64 3.869 3.869 3.944 -0.075 25850 8741 1 16 . 1 1 64 64 THR C C 64 176.814 176.814 175.640 1.174 25850 8742 1 16 . 1 1 64 64 THR CA C 64 65.198 65.198 65.836 -0.638 25850 8743 1 16 . 1 1 64 64 THR CB C 64 68.315 68.315 69.024 -0.709 25850 8744 1 16 . 1 1 64 64 THR H H 64 7.907 7.907 7.871 0.036 25850 8745 1 16 . 1 1 65 65 ASP N N 65 122.892 122.892 120.227 2.665 25850 8746 1 16 . 1 1 65 65 ASP HA H 65 4.287 4.287 4.295 -0.008 25850 8747 1 16 . 1 1 65 65 ASP C C 65 178.326 178.326 178.087 0.239 25850 8748 1 16 . 1 1 65 65 ASP CA C 65 57.350 57.350 57.538 -0.188 25850 8749 1 16 . 1 1 65 65 ASP CB C 65 41.121 41.121 40.047 1.074 25850 8750 1 16 . 1 1 65 65 ASP H H 65 8.375 8.375 8.680 -0.305 25850 8751 1 16 . 1 1 66 66 GLY N N 66 109.334 109.334 107.856 1.478 25850 8752 1 16 . 1 1 66 66 GLY C C 66 175.861 175.861 174.899 0.962 25850 8753 1 16 . 1 1 66 66 GLY CA C 66 46.136 46.136 45.613 0.523 25850 8754 1 16 . 1 1 66 66 GLY H H 66 8.234 8.234 7.910 0.324 25850 8755 1 16 . 1 1 67 67 ALA N N 67 122.888 122.888 124.402 -1.514 25850 8756 1 16 . 1 1 67 67 ALA HA H 67 3.892 3.892 4.044 -0.152 25850 8757 1 16 . 1 1 67 67 ALA C C 67 179.384 179.384 179.588 -0.204 25850 8758 1 16 . 1 1 67 67 ALA CA C 67 55.960 55.960 54.472 1.488 25850 8759 1 16 . 1 1 67 67 ALA CB C 67 18.611 18.611 18.716 -0.105 25850 8760 1 16 . 1 1 67 67 ALA H H 67 7.949 7.949 7.816 0.133 25850 8761 1 16 . 1 1 68 68 ARG N N 68 118.221 118.221 117.458 0.763 25850 8762 1 16 . 1 1 68 68 ARG HA H 68 3.993 3.993 4.032 -0.039 25850 8763 1 16 . 1 1 68 68 ARG C C 68 179.355 179.355 178.675 0.680 25850 8764 1 16 . 1 1 68 68 ARG CA C 68 59.234 59.234 58.971 0.263 25850 8765 1 16 . 1 1 68 68 ARG CB C 68 29.799 29.799 30.047 -0.248 25850 8766 1 16 . 1 1 68 68 ARG H H 68 7.917 7.917 7.672 0.245 25850 8767 1 16 . 1 1 69 69 ARG N N 69 120.551 120.551 119.716 0.835 25850 8768 1 16 . 1 1 69 69 ARG HA H 69 3.923 3.923 3.973 -0.050 25850 8769 1 16 . 1 1 69 69 ARG C C 69 179.120 179.120 178.192 0.928 25850 8770 1 16 . 1 1 69 69 ARG CA C 69 59.310 59.310 57.938 1.372 25850 8771 1 16 . 1 1 69 69 ARG CB C 69 29.189 29.189 29.160 0.029 25850 8772 1 16 . 1 1 69 69 ARG H H 69 7.749 7.749 7.757 -0.008 25850 8773 1 16 . 1 1 70 70 ALA N N 70 121.098 121.098 120.687 0.411 25850 8774 1 16 . 1 1 70 70 ALA HA H 70 4.016 4.016 4.009 0.007 25850 8775 1 16 . 1 1 70 70 ALA C C 70 178.438 178.438 179.245 -0.807 25850 8776 1 16 . 1 1 70 70 ALA CA C 70 55.536 55.536 54.646 0.890 25850 8777 1 16 . 1 1 70 70 ALA CB C 70 17.216 17.216 18.218 -1.002 25850 8778 1 16 . 1 1 70 70 ALA H H 70 8.245 8.245 7.878 0.367 25850 8779 1 16 . 1 1 71 71 ALA N N 71 119.333 119.333 120.875 -1.542 25850 8780 1 16 . 1 1 71 71 ALA HA H 71 4.047 4.047 4.092 -0.045 25850 8781 1 16 . 1 1 71 71 ALA C C 71 180.219 180.219 179.640 0.579 25850 8782 1 16 . 1 1 71 71 ALA CA C 71 55.083 55.083 54.957 0.126 25850 8783 1 16 . 1 1 71 71 ALA CB C 71 18.198 18.198 18.266 -0.068 25850 8784 1 16 . 1 1 71 71 ALA H H 71 8.565 8.565 7.616 0.949 25850 8785 1 16 . 1 1 72 72 LYS N N 72 121.188 121.188 119.228 1.960 25850 8786 1 16 . 1 1 72 72 LYS HA H 72 4.107 4.107 4.025 0.082 25850 8787 1 16 . 1 1 72 72 LYS C C 72 179.155 179.155 179.023 0.132 25850 8788 1 16 . 1 1 72 72 LYS CA C 72 59.271 59.271 59.431 -0.160 25850 8789 1 16 . 1 1 72 72 LYS CB C 72 31.786 31.786 32.254 -0.468 25850 8790 1 16 . 1 1 72 72 LYS H H 72 8.108 8.108 7.828 0.280 25850 8791 1 16 . 1 1 73 73 SER N N 73 116.976 116.976 115.700 1.276 25850 8792 1 16 . 1 1 73 73 SER HA H 73 3.957 3.957 4.132 -0.175 25850 8793 1 16 . 1 1 73 73 SER C C 73 176.394 176.394 176.508 -0.114 25850 8794 1 16 . 1 1 73 73 SER CA C 73 62.753 62.753 61.243 1.510 25850 8795 1 16 . 1 1 73 73 SER CB C 73 60.718 60.718 62.336 -1.618 25850 8796 1 16 . 1 1 73 73 SER H H 73 8.057 8.057 7.560 0.497 25850 8797 1 16 . 1 1 74 74 LEU N N 74 123.741 123.741 123.188 0.553 25850 8798 1 16 . 1 1 74 74 LEU HA H 74 3.831 3.831 3.863 -0.032 25850 8799 1 16 . 1 1 74 74 LEU C C 74 176.704 176.704 178.460 -1.756 25850 8800 1 16 . 1 1 74 74 LEU CA C 74 58.545 58.545 58.133 0.412 25850 8801 1 16 . 1 1 74 74 LEU CB C 74 41.862 41.862 41.651 0.211 25850 8802 1 16 . 1 1 74 74 LEU H H 74 8.341 8.341 7.910 0.431 25850 8803 1 16 . 1 1 75 75 SER N N 75 113.508 113.508 114.985 -1.477 25850 8804 1 16 . 1 1 75 75 SER HA H 75 4.277 4.277 4.254 0.023 25850 8805 1 16 . 1 1 75 75 SER C C 75 177.668 177.668 176.950 0.718 25850 8806 1 16 . 1 1 75 75 SER CA C 75 61.926 61.926 62.162 -0.236 25850 8807 1 16 . 1 1 75 75 SER CB C 75 62.702 62.702 62.569 0.133 25850 8808 1 16 . 1 1 75 75 SER H H 75 8.055 8.055 8.168 -0.113 25850 8809 1 16 . 1 1 76 76 GLU N N 76 119.999 119.999 121.157 -1.158 25850 8810 1 16 . 1 1 76 76 GLU HA H 76 4.041 4.041 3.995 0.046 25850 8811 1 16 . 1 1 76 76 GLU C C 76 178.836 178.836 178.826 0.010 25850 8812 1 16 . 1 1 76 76 GLU CA C 76 58.928 58.928 59.155 -0.227 25850 8813 1 16 . 1 1 76 76 GLU CB C 76 29.684 29.684 29.517 0.167 25850 8814 1 16 . 1 1 76 76 GLU H H 76 7.874 7.874 7.919 -0.045 25850 8815 1 16 . 1 1 77 77 ALA N N 77 123.551 123.551 121.759 1.792 25850 8816 1 16 . 1 1 77 77 ALA HA H 77 4.242 4.242 4.151 0.091 25850 8817 1 16 . 1 1 77 77 ALA C C 77 180.005 180.005 179.797 0.208 25850 8818 1 16 . 1 1 77 77 ALA CA C 77 55.031 55.031 54.822 0.209 25850 8819 1 16 . 1 1 77 77 ALA CB C 77 18.237 18.237 18.473 -0.236 25850 8820 1 16 . 1 1 77 77 ALA H H 77 8.043 8.043 7.498 0.545 25850 8821 1 16 . 1 1 78 78 TYR N N 78 116.371 116.371 117.962 -1.591 25850 8822 1 16 . 1 1 78 78 TYR HA H 78 4.418 4.418 4.288 0.130 25850 8823 1 16 . 1 1 78 78 TYR C C 78 178.901 178.901 178.722 0.179 25850 8824 1 16 . 1 1 78 78 TYR CA C 78 60.302 60.302 59.767 0.535 25850 8825 1 16 . 1 1 78 78 TYR CB C 78 37.416 37.416 37.352 0.064 25850 8826 1 16 . 1 1 78 78 TYR H H 78 8.699 8.699 8.184 0.515 25850 8827 1 16 . 1 1 79 79 GLN N N 79 116.649 116.649 118.556 -1.907 25850 8828 1 16 . 1 1 79 79 GLN HA H 79 4.212 4.212 4.164 0.048 25850 8829 1 16 . 1 1 79 79 GLN C C 79 177.778 177.778 177.937 -0.159 25850 8830 1 16 . 1 1 79 79 GLN CA C 79 57.922 57.922 58.715 -0.793 25850 8831 1 16 . 1 1 79 79 GLN CB C 79 28.659 28.659 28.490 0.169 25850 8832 1 16 . 1 1 79 79 GLN H H 79 7.667 7.667 8.098 -0.431 25850 8833 1 16 . 1 1 80 80 LYS N N 80 118.855 118.855 118.886 -0.031 25850 8834 1 16 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.148 0.145 25850 8835 1 16 . 1 1 80 80 LYS C C 80 178.038 178.038 178.083 -0.045 25850 8836 1 16 . 1 1 80 80 LYS CA C 80 57.474 57.474 58.706 -1.232 25850 8837 1 16 . 1 1 80 80 LYS CB C 80 32.816 32.816 32.575 0.241 25850 8838 1 16 . 1 1 80 80 LYS H H 80 7.766 7.766 7.515 0.251 25850 8839 1 16 . 1 1 81 81 VAL N N 81 117.863 117.863 119.821 -1.958 25850 8840 1 16 . 1 1 81 81 VAL HA H 81 4.076 4.076 3.973 0.103 25850 8841 1 16 . 1 1 81 81 VAL C C 81 176.805 176.805 178.026 -1.221 25850 8842 1 16 . 1 1 81 81 VAL CA C 81 63.409 63.409 64.889 -1.480 25850 8843 1 16 . 1 1 81 81 VAL CB C 81 32.423 32.423 32.068 0.355 25850 8844 1 16 . 1 1 81 81 VAL H H 81 7.821 7.821 7.732 0.089 25850 8845 1 16 . 1 1 82 82 GLU N N 82 122.552 122.552 117.245 5.307 25850 8846 1 16 . 1 1 82 82 GLU HA H 82 4.277 4.277 4.271 0.006 25850 8847 1 16 . 1 1 82 82 GLU C C 82 177.559 177.559 178.149 -0.590 25850 8848 1 16 . 1 1 82 82 GLU CA C 82 57.300 57.300 56.686 0.614 25850 8849 1 16 . 1 1 82 82 GLU CB C 82 29.927 29.927 29.827 0.100 25850 8850 1 16 . 1 1 82 82 GLU H H 82 8.329 8.329 8.195 0.134 25850 8851 1 16 . 1 1 83 83 GLY N N 83 109.040 109.040 108.651 0.389 25850 8852 1 16 . 1 1 83 83 GLY C C 83 174.590 174.590 174.371 0.219 25850 8853 1 16 . 1 1 83 83 GLY CA C 83 45.530 45.530 45.755 -0.225 25850 8854 1 16 . 1 1 83 83 GLY H H 83 8.309 8.309 8.003 0.306 25850 8855 1 16 . 1 1 84 84 SER N N 84 115.258 115.258 117.808 -2.550 25850 8856 1 16 . 1 1 84 84 SER HA H 84 4.495 4.495 4.786 -0.291 25850 8857 1 16 . 1 1 84 84 SER C C 84 175.217 175.217 173.782 1.435 25850 8858 1 16 . 1 1 84 84 SER CA C 84 58.580 58.580 57.797 0.783 25850 8859 1 16 . 1 1 84 84 SER CB C 84 63.827 63.827 63.038 0.790 25850 8860 1 16 . 1 1 84 84 SER H H 84 8.180 8.180 7.659 0.521 25850 8861 1 16 . 1 1 85 85 GLY N N 85 110.681 110.681 112.801 -2.120 25850 8862 1 16 . 1 1 85 85 GLY C C 85 174.063 174.063 172.366 1.697 25850 8863 1 16 . 1 1 85 85 GLY CA C 85 45.395 45.395 45.352 0.043 25850 8864 1 16 . 1 1 85 85 GLY H H 85 8.472 8.472 7.902 0.570 25850 8865 1 16 . 1 1 86 86 ASP N N 86 120.537 120.537 121.415 -0.878 25850 8866 1 16 . 1 1 86 86 ASP HA H 86 4.597 4.597 4.743 -0.146 25850 8867 1 16 . 1 1 86 86 ASP C C 86 176.761 176.761 175.898 0.863 25850 8868 1 16 . 1 1 86 86 ASP CA C 86 54.451 54.451 53.331 1.119 25850 8869 1 16 . 1 1 86 86 ASP CB C 86 41.069 41.069 41.430 -0.361 25850 8870 1 16 . 1 1 86 86 ASP H H 86 8.272 8.272 8.463 -0.191 25850 8871 1 16 . 1 1 87 87 LYS N N 87 121.608 121.608 126.586 -4.978 25850 8872 1 16 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.360 -0.114 25850 8873 1 16 . 1 1 87 87 LYS C C 87 177.342 177.342 176.130 1.212 25850 8874 1 16 . 1 1 87 87 LYS CA C 87 56.545 56.545 56.498 0.046 25850 8875 1 16 . 1 1 87 87 LYS CB C 87 32.302 32.302 32.325 -0.023 25850 8876 1 16 . 1 1 87 87 LYS H H 87 8.344 8.344 8.489 -0.145 25850 8877 1 16 . 1 1 88 88 GLY N N 88 108.711 108.711 112.247 -3.536 25850 8878 1 16 . 1 1 88 88 GLY C C 88 174.216 174.216 172.868 1.348 25850 8879 1 16 . 1 1 88 88 GLY CA C 88 45.339 45.339 45.189 0.150 25850 8880 1 16 . 1 1 88 88 GLY H H 88 8.449 8.449 8.316 0.133 25850 8881 1 16 . 1 1 89 89 LYS N N 89 120.508 120.508 121.640 -1.132 25850 8882 1 16 . 1 1 89 89 LYS HA H 89 4.266 4.266 4.449 -0.183 25850 8883 1 16 . 1 1 89 89 LYS C C 89 176.464 176.464 175.825 0.639 25850 8884 1 16 . 1 1 89 89 LYS CA C 89 56.214 56.214 56.084 0.130 25850 8885 1 16 . 1 1 89 89 LYS CB C 89 32.824 32.824 31.730 1.094 25850 8886 1 16 . 1 1 89 89 LYS H H 89 7.958 7.958 8.312 -0.354 25850 8887 1 16 . 1 1 90 90 ILE N N 90 121.127 121.127 127.702 -6.575 25850 8888 1 16 . 1 1 90 90 ILE HA H 90 4.091 4.091 4.260 -0.169 25850 8889 1 16 . 1 1 90 90 ILE C C 90 175.896 175.896 175.034 0.862 25850 8890 1 16 . 1 1 90 90 ILE CA C 90 61.022 61.022 60.714 0.308 25850 8891 1 16 . 1 1 90 90 ILE CB C 90 38.488 38.488 37.793 0.695 25850 8892 1 16 . 1 1 90 90 ILE H H 90 8.005 8.005 7.971 0.034 25850 8893 1 16 . 1 1 91 91 PHE N N 91 123.843 123.843 128.368 -4.525 25850 8894 1 16 . 1 1 91 91 PHE HA H 91 4.615 4.615 4.749 -0.134 25850 8895 1 16 . 1 1 91 91 PHE C C 91 175.327 175.327 175.303 0.024 25850 8896 1 16 . 1 1 91 91 PHE CA C 91 57.565 57.565 56.898 0.667 25850 8897 1 16 . 1 1 91 91 PHE CB C 91 39.457 39.457 40.953 -1.496 25850 8898 1 16 . 1 1 91 91 PHE H H 91 8.283 8.283 8.543 -0.260 25850 8899 1 16 . 1 1 92 92 GLN N N 92 122.349 122.349 126.606 -4.257 25850 8900 1 16 . 1 1 92 92 GLN HA H 92 4.296 4.296 4.117 0.179 25850 8901 1 16 . 1 1 92 92 GLN C C 92 175.338 175.338 174.847 0.491 25850 8902 1 16 . 1 1 92 92 GLN CA C 92 55.492 55.492 55.507 -0.015 25850 8903 1 16 . 1 1 92 92 GLN CB C 92 29.708 29.708 29.941 -0.233 25850 8904 1 16 . 1 1 92 92 GLN H H 92 8.212 8.212 8.192 0.020 25850 8905 1 16 . 1 1 93 93 LYS N N 93 123.137 123.137 122.354 0.783 25850 8906 1 16 . 1 1 93 93 LYS HA H 93 4.250 4.250 4.011 0.239 25850 8907 1 16 . 1 1 93 93 LYS C C 93 176.492 176.492 176.307 0.185 25850 8908 1 16 . 1 1 93 93 LYS CA C 93 56.272 56.272 55.997 0.275 25850 8909 1 16 . 1 1 93 93 LYS CB C 93 33.055 33.055 32.800 0.255 25850 8910 1 16 . 1 1 93 93 LYS H H 93 8.364 8.364 8.162 0.202 25850 8911 1 16 . 1 1 94 94 GLU N N 94 122.671 122.671 123.557 -0.886 25850 8912 1 16 . 1 1 94 94 GLU HA H 94 4.246 4.246 4.062 0.184 25850 8913 1 16 . 1 1 94 94 GLU C C 94 177.008 177.008 176.690 0.318 25850 8914 1 16 . 1 1 94 94 GLU CA C 94 56.848 56.848 57.003 -0.155 25850 8915 1 16 . 1 1 94 94 GLU CB C 94 30.054 30.054 29.240 0.814 25850 8916 1 16 . 1 1 94 94 GLU H H 94 8.571 8.571 8.525 0.046 25850 8917 1 16 . 1 1 95 95 GLY N N 95 110.337 110.337 114.390 -4.053 25850 8918 1 16 . 1 1 95 95 GLY C C 95 174.070 174.070 173.095 0.975 25850 8919 1 16 . 1 1 95 95 GLY CA C 95 45.191 45.191 45.382 -0.191 25850 8920 1 16 . 1 1 95 95 GLY H H 95 8.490 8.490 8.570 -0.080 25850 8921 1 16 . 1 1 96 96 GLU N N 96 120.183 120.183 120.529 -0.346 25850 8922 1 16 . 1 1 96 96 GLU HA H 96 4.339 4.339 4.563 -0.224 25850 8923 1 16 . 1 1 96 96 GLU C C 96 176.463 176.463 174.584 1.879 25850 8924 1 16 . 1 1 96 96 GLU CA C 96 56.204 56.204 56.662 -0.458 25850 8925 1 16 . 1 1 96 96 GLU CB C 96 30.433 30.433 30.296 0.137 25850 8926 1 16 . 1 1 96 96 GLU H H 96 8.142 8.142 8.270 -0.128 25850 8927 1 16 . 1 1 97 97 SER N N 97 116.979 116.979 119.726 -2.747 25850 8928 1 16 . 1 1 97 97 SER HA H 97 4.472 4.472 4.757 -0.285 25850 8929 1 16 . 1 1 97 97 SER C C 97 174.162 174.162 173.233 0.929 25850 8930 1 16 . 1 1 97 97 SER CA C 97 58.070 58.070 57.897 0.173 25850 8931 1 16 . 1 1 97 97 SER CB C 97 63.710 63.710 63.378 0.332 25850 8932 1 16 . 1 1 97 97 SER H H 97 8.381 8.381 8.342 0.039 25850 8933 1 16 . 1 1 98 98 ILE N N 98 122.626 122.626 122.615 0.011 25850 8934 1 16 . 1 1 98 98 ILE HA H 98 4.201 4.201 4.173 0.028 25850 8935 1 16 . 1 1 98 98 ILE C C 98 175.921 175.921 176.563 -0.642 25850 8936 1 16 . 1 1 98 98 ILE CA C 98 60.947 60.947 60.921 0.026 25850 8937 1 16 . 1 1 98 98 ILE CB C 98 38.616 38.616 38.478 0.138 25850 8938 1 16 . 1 1 98 98 ILE H H 98 8.216 8.216 8.340 -0.124 25850 8939 1 16 . 1 1 99 99 LEU N N 99 126.765 126.765 127.919 -1.154 25850 8940 1 16 . 1 1 99 99 LEU HA H 99 4.399 4.399 4.149 0.250 25850 8941 1 16 . 1 1 99 99 LEU C C 99 176.093 176.093 177.457 -1.364 25850 8942 1 16 . 1 1 99 99 LEU CA C 99 54.853 54.853 56.148 -1.296 25850 8943 1 16 . 1 1 99 99 LEU CB C 99 42.135 42.135 41.972 0.163 25850 8944 1 16 . 1 1 99 99 LEU H H 99 8.326 8.326 8.544 -0.218 25850 8945 1 17 . 1 1 2 2 GLY C C 2 173.891 173.891 173.794 0.097 25850 8946 1 17 . 1 1 2 2 GLY CA C 2 44.831 44.831 44.680 0.151 25850 8947 1 17 . 1 1 3 3 SER N N 3 117.545 117.545 119.029 -1.484 25850 8948 1 17 . 1 1 3 3 SER HA H 3 4.799 4.799 4.654 0.145 25850 8949 1 17 . 1 1 3 3 SER C C 3 173.162 173.162 173.532 -0.370 25850 8950 1 17 . 1 1 3 3 SER CA C 3 56.530 56.530 55.395 1.135 25850 8951 1 17 . 1 1 3 3 SER CB C 3 63.002 63.002 64.117 -1.115 25850 8952 1 17 . 1 1 3 3 SER H H 3 8.428 8.428 7.665 0.763 25850 8953 1 17 . 1 1 4 4 PRO HA H 4 4.644 4.644 4.389 0.255 25850 8954 1 17 . 1 1 4 4 PRO C C 4 178.093 178.093 178.385 -0.292 25850 8955 1 17 . 1 1 4 4 PRO CA C 4 65.378 65.378 65.424 -0.046 25850 8956 1 17 . 1 1 4 4 PRO CB C 4 31.965 31.965 32.073 -0.108 25850 8957 1 17 . 1 1 5 5 ASP N N 5 115.270 115.270 116.092 -0.822 25850 8958 1 17 . 1 1 5 5 ASP HA H 5 4.353 4.353 4.369 -0.016 25850 8959 1 17 . 1 1 5 5 ASP C C 5 178.915 178.915 178.276 0.639 25850 8960 1 17 . 1 1 5 5 ASP CA C 5 56.796 56.796 57.305 -0.509 25850 8961 1 17 . 1 1 5 5 ASP CB C 5 40.690 40.690 40.486 0.204 25850 8962 1 17 . 1 1 5 5 ASP H H 5 8.233 8.233 8.660 -0.427 25850 8963 1 17 . 1 1 6 6 GLU N N 6 121.390 121.390 119.023 2.367 25850 8964 1 17 . 1 1 6 6 GLU HA H 6 4.027 4.027 4.080 -0.053 25850 8965 1 17 . 1 1 6 6 GLU C C 6 178.836 178.836 178.854 -0.018 25850 8966 1 17 . 1 1 6 6 GLU CA C 6 58.594 58.594 59.049 -0.455 25850 8967 1 17 . 1 1 6 6 GLU CB C 6 29.641 29.641 29.254 0.387 25850 8968 1 17 . 1 1 6 6 GLU H H 6 7.770 7.770 7.759 0.011 25850 8969 1 17 . 1 1 7 7 ASN N N 7 119.966 119.966 118.783 1.183 25850 8970 1 17 . 1 1 7 7 ASN HA H 7 4.155 4.155 4.278 -0.123 25850 8971 1 17 . 1 1 7 7 ASN C C 7 176.723 176.723 177.494 -0.771 25850 8972 1 17 . 1 1 7 7 ASN CA C 7 55.007 55.007 55.697 -0.690 25850 8973 1 17 . 1 1 7 7 ASN CB C 7 36.627 36.627 38.044 -1.417 25850 8974 1 17 . 1 1 7 7 ASN H H 7 8.378 8.378 7.694 0.684 25850 8975 1 17 . 1 1 8 8 ILE N N 8 119.915 119.915 120.946 -1.031 25850 8976 1 17 . 1 1 8 8 ILE HA H 8 3.608 3.608 3.821 -0.213 25850 8977 1 17 . 1 1 8 8 ILE CA C 8 66.495 66.495 65.654 0.841 25850 8978 1 17 . 1 1 8 8 ILE CB C 8 37.558 37.558 37.614 -0.056 25850 8979 1 17 . 1 1 8 8 ILE H H 8 8.626 8.626 7.791 0.835 25850 8980 1 17 . 1 1 9 9 ALA N N 9 121.268 121.268 120.938 0.330 25850 8981 1 17 . 1 1 9 9 ALA HA H 9 4.235 4.235 3.904 0.331 25850 8982 1 17 . 1 1 9 9 ALA C C 9 180.624 180.624 179.158 1.466 25850 8983 1 17 . 1 1 9 9 ALA CA C 9 54.922 54.922 55.149 -0.227 25850 8984 1 17 . 1 1 9 9 ALA CB C 9 17.710 17.710 17.857 -0.147 25850 8985 1 17 . 1 1 9 9 ALA H H 9 7.597 7.597 7.505 0.092 25850 8986 1 17 . 1 1 10 10 LYS N N 10 118.798 118.798 119.061 -0.263 25850 8987 1 17 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.952 0.059 25850 8988 1 17 . 1 1 10 10 LYS C C 10 180.034 180.034 178.863 1.171 25850 8989 1 17 . 1 1 10 10 LYS CA C 10 59.264 59.264 59.066 0.198 25850 8990 1 17 . 1 1 10 10 LYS CB C 10 31.744 31.744 32.166 -0.422 25850 8991 1 17 . 1 1 10 10 LYS H H 10 7.569 7.569 7.168 0.401 25850 8992 1 17 . 1 1 11 11 PHE N N 11 121.394 121.394 117.949 3.445 25850 8993 1 17 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.310 0.418 25850 8994 1 17 . 1 1 11 11 PHE C C 11 178.445 178.445 178.541 -0.096 25850 8995 1 17 . 1 1 11 11 PHE CA C 11 59.549 59.549 60.165 -0.616 25850 8996 1 17 . 1 1 11 11 PHE CB C 11 39.001 39.001 38.078 0.923 25850 8997 1 17 . 1 1 11 11 PHE H H 11 8.347 8.347 7.609 0.738 25850 8998 1 17 . 1 1 12 12 GLU N N 12 121.864 121.864 119.520 2.344 25850 8999 1 17 . 1 1 12 12 GLU HA H 12 4.127 4.127 4.062 0.065 25850 9000 1 17 . 1 1 12 12 GLU C C 12 179.600 179.600 179.283 0.317 25850 9001 1 17 . 1 1 12 12 GLU CA C 12 59.803 59.803 59.973 -0.170 25850 9002 1 17 . 1 1 12 12 GLU CB C 12 29.488 29.488 28.852 0.636 25850 9003 1 17 . 1 1 12 12 GLU H H 12 9.184 9.184 8.439 0.745 25850 9004 1 17 . 1 1 13 13 LYS N N 13 120.472 120.472 119.235 1.237 25850 9005 1 17 . 1 1 13 13 LYS HA H 13 4.127 4.127 4.258 -0.131 25850 9006 1 17 . 1 1 13 13 LYS C C 13 179.120 179.120 178.864 0.256 25850 9007 1 17 . 1 1 13 13 LYS CA C 13 59.308 59.308 58.625 0.683 25850 9008 1 17 . 1 1 13 13 LYS CB C 13 32.147 32.147 32.312 -0.166 25850 9009 1 17 . 1 1 13 13 LYS H H 13 7.800 7.800 7.621 0.179 25850 9010 1 17 . 1 1 14 14 ALA N N 14 122.753 122.753 122.667 0.086 25850 9011 1 17 . 1 1 14 14 ALA HA H 14 4.205 4.205 4.193 0.012 25850 9012 1 17 . 1 1 14 14 ALA C C 14 180.640 180.640 179.404 1.236 25850 9013 1 17 . 1 1 14 14 ALA CA C 14 54.756 54.756 54.902 -0.146 25850 9014 1 17 . 1 1 14 14 ALA CB C 14 17.913 17.913 18.175 -0.262 25850 9015 1 17 . 1 1 14 14 ALA H H 14 8.001 8.001 8.151 -0.150 25850 9016 1 17 . 1 1 15 15 TYR HA H 15 3.850 3.850 4.153 -0.303 25850 9017 1 17 . 1 1 15 15 TYR C C 15 175.898 175.898 177.527 -1.629 25850 9018 1 17 . 1 1 15 15 TYR CA C 15 62.008 62.008 61.758 0.250 25850 9019 1 17 . 1 1 15 15 TYR CB C 15 37.756 37.756 38.716 -0.960 25850 9020 1 17 . 1 1 15 15 TYR H H 15 8.906 8.906 8.032 0.874 25850 9021 1 17 . 1 1 16 16 LYS N N 16 119.082 119.082 116.780 2.302 25850 9022 1 17 . 1 1 16 16 LYS HA H 16 3.985 3.985 4.083 -0.098 25850 9023 1 17 . 1 1 16 16 LYS C C 16 179.068 179.068 179.016 0.052 25850 9024 1 17 . 1 1 16 16 LYS CA C 16 58.622 58.622 58.051 0.571 25850 9025 1 17 . 1 1 16 16 LYS CB C 16 32.131 32.131 31.831 0.300 25850 9026 1 17 . 1 1 16 16 LYS H H 16 8.059 8.059 7.756 0.303 25850 9027 1 17 . 1 1 17 17 LYS N N 17 119.708 119.708 120.658 -0.950 25850 9028 1 17 . 1 1 17 17 LYS HA H 17 4.142 4.142 4.124 0.018 25850 9029 1 17 . 1 1 17 17 LYS CA C 17 57.951 57.951 58.452 -0.501 25850 9030 1 17 . 1 1 17 17 LYS CB C 17 31.802 31.802 32.045 -0.244 25850 9031 1 17 . 1 1 17 17 LYS H H 17 7.900 7.900 7.917 -0.017 25850 9032 1 17 . 1 1 18 18 ALA N N 18 120.860 120.860 121.186 -0.326 25850 9033 1 17 . 1 1 18 18 ALA HA H 18 4.329 4.329 4.041 0.288 25850 9034 1 17 . 1 1 18 18 ALA C C 18 179.572 179.572 179.139 0.433 25850 9035 1 17 . 1 1 18 18 ALA CA C 18 54.110 54.110 55.036 -0.926 25850 9036 1 17 . 1 1 18 18 ALA CB C 18 18.782 18.782 18.110 0.672 25850 9037 1 17 . 1 1 18 18 ALA H H 18 7.854 7.854 7.858 -0.004 25850 9038 1 17 . 1 1 19 19 GLU N N 19 120.904 120.904 118.660 2.244 25850 9039 1 17 . 1 1 19 19 GLU HA H 19 4.240 4.240 3.901 0.339 25850 9040 1 17 . 1 1 19 19 GLU C C 19 180.268 180.268 178.827 1.441 25850 9041 1 17 . 1 1 19 19 GLU CA C 19 59.147 59.147 58.817 0.330 25850 9042 1 17 . 1 1 19 19 GLU CB C 19 29.889 29.889 29.579 0.310 25850 9043 1 17 . 1 1 19 19 GLU H H 19 8.690 8.690 7.793 0.897 25850 9044 1 17 . 1 1 20 20 GLU N N 20 120.868 120.868 119.327 1.541 25850 9045 1 17 . 1 1 20 20 GLU HA H 20 4.024 4.024 4.085 -0.061 25850 9046 1 17 . 1 1 20 20 GLU C C 20 177.975 177.975 178.540 -0.565 25850 9047 1 17 . 1 1 20 20 GLU CA C 20 58.935 58.935 58.522 0.413 25850 9048 1 17 . 1 1 20 20 GLU CB C 20 29.549 29.549 29.538 0.011 25850 9049 1 17 . 1 1 20 20 GLU H H 20 7.898 7.898 7.615 0.283 25850 9050 1 17 . 1 1 21 21 LEU N N 21 116.701 116.701 117.108 -0.407 25850 9051 1 17 . 1 1 21 21 LEU HA H 21 4.351 4.351 4.247 0.104 25850 9052 1 17 . 1 1 21 21 LEU C C 21 176.199 176.199 177.287 -1.088 25850 9053 1 17 . 1 1 21 21 LEU CA C 21 54.158 54.158 55.097 -0.939 25850 9054 1 17 . 1 1 21 21 LEU CB C 21 41.776 41.776 42.197 -0.421 25850 9055 1 17 . 1 1 21 21 LEU H H 21 7.393 7.393 7.438 -0.045 25850 9056 1 17 . 1 1 22 22 ASN N N 22 118.557 118.557 116.327 2.230 25850 9057 1 17 . 1 1 22 22 ASN HA H 22 4.278 4.278 4.416 -0.138 25850 9058 1 17 . 1 1 22 22 ASN C C 22 174.436 174.436 174.196 0.240 25850 9059 1 17 . 1 1 22 22 ASN CA C 22 54.104 54.104 54.316 -0.212 25850 9060 1 17 . 1 1 22 22 ASN CB C 22 37.364 37.364 37.831 -0.467 25850 9061 1 17 . 1 1 22 22 ASN H H 22 7.994 7.994 7.747 0.247 25850 9062 1 17 . 1 1 23 23 GLN N N 23 118.344 118.344 118.732 -0.388 25850 9063 1 17 . 1 1 23 23 GLN HA H 23 4.557 4.557 4.585 -0.028 25850 9064 1 17 . 1 1 23 23 GLN C C 23 176.685 176.685 176.229 0.456 25850 9065 1 17 . 1 1 23 23 GLN CA C 23 53.983 53.983 54.755 -0.772 25850 9066 1 17 . 1 1 23 23 GLN CB C 23 27.770 27.770 29.097 -1.327 25850 9067 1 17 . 1 1 23 23 GLN H H 23 8.378 8.378 7.469 0.909 25850 9068 1 17 . 1 1 24 24 GLY N N 24 113.071 113.071 114.368 -1.297 25850 9069 1 17 . 1 1 24 24 GLY C C 24 175.286 175.286 175.352 -0.066 25850 9070 1 17 . 1 1 24 24 GLY CA C 24 47.823 47.823 47.143 0.680 25850 9071 1 17 . 1 1 24 24 GLY H H 24 8.468 8.468 8.672 -0.204 25850 9072 1 17 . 1 1 25 25 GLU N N 25 120.717 120.717 121.454 -0.737 25850 9073 1 17 . 1 1 25 25 GLU HA H 25 4.124 4.124 3.793 0.331 25850 9074 1 17 . 1 1 25 25 GLU C C 25 176.495 176.495 178.679 -2.184 25850 9075 1 17 . 1 1 25 25 GLU CA C 25 59.621 59.621 58.911 0.710 25850 9076 1 17 . 1 1 25 25 GLU CB C 25 28.636 28.636 28.757 -0.121 25850 9077 1 17 . 1 1 25 25 GLU H H 25 9.067 9.067 8.066 1.001 25850 9078 1 17 . 1 1 26 26 LEU HA H 26 4.222 4.222 4.068 0.154 25850 9079 1 17 . 1 1 26 26 LEU C C 26 180.590 180.590 179.025 1.565 25850 9080 1 17 . 1 1 26 26 LEU CA C 26 56.882 56.882 57.764 -0.882 25850 9081 1 17 . 1 1 26 26 LEU CB C 26 41.231 41.231 41.644 -0.413 25850 9082 1 17 . 1 1 26 26 LEU H H 26 7.165 7.165 7.998 -0.833 25850 9083 1 17 . 1 1 27 27 MET N N 27 121.053 121.053 117.431 3.622 25850 9084 1 17 . 1 1 27 27 MET HA H 27 3.932 3.932 3.995 -0.063 25850 9085 1 17 . 1 1 27 27 MET CA C 27 59.980 59.980 59.197 0.783 25850 9086 1 17 . 1 1 27 27 MET CB C 27 34.537 34.537 31.920 2.617 25850 9087 1 17 . 1 1 27 27 MET H H 27 8.203 8.203 7.470 0.733 25850 9088 1 17 . 1 1 28 28 GLY N N 28 106.038 106.038 106.796 -0.758 25850 9089 1 17 . 1 1 28 28 GLY C C 28 174.900 174.900 175.626 -0.726 25850 9090 1 17 . 1 1 28 28 GLY CA C 28 47.672 47.672 46.510 1.162 25850 9091 1 17 . 1 1 28 28 GLY H H 28 8.527 8.527 8.097 0.430 25850 9092 1 17 . 1 1 29 29 ARG N N 29 120.201 120.201 122.128 -1.927 25850 9093 1 17 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.211 -0.016 25850 9094 1 17 . 1 1 29 29 ARG C C 29 178.065 178.065 178.431 -0.366 25850 9095 1 17 . 1 1 29 29 ARG CA C 29 59.974 59.974 59.294 0.680 25850 9096 1 17 . 1 1 29 29 ARG CB C 29 30.416 30.416 30.102 0.314 25850 9097 1 17 . 1 1 29 29 ARG H H 29 8.224 8.224 7.942 0.282 25850 9098 1 17 . 1 1 30 30 ALA N N 30 121.394 121.394 122.842 -1.448 25850 9099 1 17 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.052 0.145 25850 9100 1 17 . 1 1 30 30 ALA C C 30 179.433 179.433 179.725 -0.292 25850 9101 1 17 . 1 1 30 30 ALA CA C 30 55.838 55.838 55.097 0.741 25850 9102 1 17 . 1 1 30 30 ALA CB C 30 18.269 18.269 18.340 -0.071 25850 9103 1 17 . 1 1 30 30 ALA H H 30 7.876 7.876 7.606 0.270 25850 9104 1 17 . 1 1 31 31 LEU N N 31 116.122 116.122 117.891 -1.769 25850 9105 1 17 . 1 1 31 31 LEU HA H 31 4.003 4.003 3.954 0.049 25850 9106 1 17 . 1 1 31 31 LEU C C 31 178.416 178.416 179.321 -0.905 25850 9107 1 17 . 1 1 31 31 LEU CA C 31 57.921 57.921 57.569 0.352 25850 9108 1 17 . 1 1 31 31 LEU CB C 31 42.463 42.463 41.831 0.632 25850 9109 1 17 . 1 1 31 31 LEU H H 31 8.084 8.084 7.846 0.238 25850 9110 1 17 . 1 1 32 32 TYR N N 32 119.225 119.225 120.641 -1.416 25850 9111 1 17 . 1 1 32 32 TYR HA H 32 4.063 4.063 4.300 -0.237 25850 9112 1 17 . 1 1 32 32 TYR C C 32 176.310 176.310 177.680 -1.370 25850 9113 1 17 . 1 1 32 32 TYR CA C 32 61.992 61.992 62.047 -0.055 25850 9114 1 17 . 1 1 32 32 TYR CB C 32 38.659 38.659 38.570 0.089 25850 9115 1 17 . 1 1 32 32 TYR H H 32 8.562 8.562 8.155 0.407 25850 9116 1 17 . 1 1 33 33 ASN N N 33 116.880 116.880 117.441 -0.561 25850 9117 1 17 . 1 1 33 33 ASN HA H 33 4.068 4.068 4.177 -0.109 25850 9118 1 17 . 1 1 33 33 ASN C C 33 178.353 178.353 177.555 0.798 25850 9119 1 17 . 1 1 33 33 ASN CA C 33 55.858 55.858 56.582 -0.724 25850 9120 1 17 . 1 1 33 33 ASN CB C 33 35.968 35.968 37.967 -1.999 25850 9121 1 17 . 1 1 33 33 ASN H H 33 8.213 8.213 7.795 0.418 25850 9122 1 17 . 1 1 34 34 ILE N N 34 121.401 121.401 120.473 0.928 25850 9123 1 17 . 1 1 34 34 ILE HA H 34 3.300 3.300 3.574 -0.274 25850 9124 1 17 . 1 1 34 34 ILE C C 34 177.867 177.867 177.747 0.120 25850 9125 1 17 . 1 1 34 34 ILE CA C 34 66.528 66.528 65.547 0.981 25850 9126 1 17 . 1 1 34 34 ILE CB C 34 37.839 37.839 37.245 0.594 25850 9127 1 17 . 1 1 34 34 ILE H H 34 8.087 8.087 8.069 0.018 25850 9128 1 17 . 1 1 35 35 GLY N N 35 107.275 107.275 107.439 -0.164 25850 9129 1 17 . 1 1 35 35 GLY C C 35 175.048 175.048 175.752 -0.704 25850 9130 1 17 . 1 1 35 35 GLY CA C 35 48.547 48.547 46.662 1.885 25850 9131 1 17 . 1 1 35 35 GLY H H 35 7.922 7.922 7.817 0.105 25850 9132 1 17 . 1 1 36 36 LEU N N 36 120.414 120.414 122.033 -1.619 25850 9133 1 17 . 1 1 36 36 LEU HA H 36 4.048 4.048 3.959 0.089 25850 9134 1 17 . 1 1 36 36 LEU C C 36 180.804 180.804 179.050 1.754 25850 9135 1 17 . 1 1 36 36 LEU CA C 36 58.063 58.063 57.825 0.238 25850 9136 1 17 . 1 1 36 36 LEU CB C 36 41.701 41.701 41.528 0.173 25850 9137 1 17 . 1 1 36 36 LEU H H 36 8.177 8.177 7.602 0.575 25850 9138 1 17 . 1 1 37 37 GLU N N 37 120.083 120.083 118.812 1.271 25850 9139 1 17 . 1 1 37 37 GLU HA H 37 4.075 4.075 4.040 0.035 25850 9140 1 17 . 1 1 37 37 GLU C C 37 179.517 179.517 179.309 0.208 25850 9141 1 17 . 1 1 37 37 GLU CA C 37 58.603 58.603 59.117 -0.514 25850 9142 1 17 . 1 1 37 37 GLU CB C 37 29.799 29.799 28.892 0.907 25850 9143 1 17 . 1 1 37 37 GLU H H 37 7.750 7.750 8.122 -0.372 25850 9144 1 17 . 1 1 38 38 LYS N N 38 118.263 118.263 119.221 -0.958 25850 9145 1 17 . 1 1 38 38 LYS HA H 38 3.862 3.862 3.941 -0.079 25850 9146 1 17 . 1 1 38 38 LYS C C 38 179.253 179.253 178.684 0.569 25850 9147 1 17 . 1 1 38 38 LYS CA C 38 57.937 57.937 59.304 -1.367 25850 9148 1 17 . 1 1 38 38 LYS CB C 38 30.769 30.769 31.943 -1.174 25850 9149 1 17 . 1 1 38 38 LYS H H 38 8.550 8.550 8.029 0.521 25850 9150 1 17 . 1 1 39 39 ASN N N 39 118.329 118.329 117.059 1.270 25850 9151 1 17 . 1 1 39 39 ASN HA H 39 4.193 4.193 4.538 -0.345 25850 9152 1 17 . 1 1 39 39 ASN C C 39 179.428 179.428 177.354 2.074 25850 9153 1 17 . 1 1 39 39 ASN CA C 39 56.177 56.177 55.607 0.570 25850 9154 1 17 . 1 1 39 39 ASN CB C 39 38.478 38.478 38.510 -0.032 25850 9155 1 17 . 1 1 39 39 ASN H H 39 8.294 8.294 7.997 0.297 25850 9156 1 17 . 1 1 40 40 LYS N N 40 121.176 121.176 118.178 2.998 25850 9157 1 17 . 1 1 40 40 LYS HA H 40 4.047 4.047 4.164 -0.117 25850 9158 1 17 . 1 1 40 40 LYS C C 40 178.229 178.229 178.038 0.191 25850 9159 1 17 . 1 1 40 40 LYS CA C 40 59.471 59.471 58.757 0.714 25850 9160 1 17 . 1 1 40 40 LYS CB C 40 32.427 32.427 32.701 -0.274 25850 9161 1 17 . 1 1 40 40 LYS H H 40 7.912 7.912 7.728 0.184 25850 9162 1 17 . 1 1 41 41 MET N N 41 114.548 114.548 116.481 -1.933 25850 9163 1 17 . 1 1 41 41 MET HA H 41 4.512 4.512 4.530 -0.018 25850 9164 1 17 . 1 1 41 41 MET C C 41 175.915 175.915 177.039 -1.124 25850 9165 1 17 . 1 1 41 41 MET CA C 41 55.529 55.529 56.144 -0.615 25850 9166 1 17 . 1 1 41 41 MET CB C 41 34.022 34.022 33.237 0.785 25850 9167 1 17 . 1 1 41 41 MET H H 41 7.389 7.389 7.643 -0.254 25850 9168 1 17 . 1 1 42 42 GLY N N 42 107.409 107.409 108.384 -0.975 25850 9169 1 17 . 1 1 42 42 GLY C C 42 175.041 175.041 174.829 0.212 25850 9170 1 17 . 1 1 42 42 GLY CA C 42 45.335 45.335 45.478 -0.143 25850 9171 1 17 . 1 1 42 42 GLY H H 42 7.929 7.929 8.021 -0.092 25850 9172 1 17 . 1 1 43 43 LYS N N 43 124.326 124.326 121.617 2.709 25850 9173 1 17 . 1 1 43 43 LYS HA H 43 4.684 4.684 4.437 0.247 25850 9174 1 17 . 1 1 43 43 LYS C C 43 176.514 176.514 176.140 0.374 25850 9175 1 17 . 1 1 43 43 LYS CA C 43 53.791 53.791 55.263 -1.472 25850 9176 1 17 . 1 1 43 43 LYS CB C 43 30.065 30.065 30.777 -0.713 25850 9177 1 17 . 1 1 43 43 LYS H H 43 8.040 8.040 8.151 -0.111 25850 9178 1 17 . 1 1 44 44 VAL N N 44 121.020 121.020 120.671 0.349 25850 9179 1 17 . 1 1 44 44 VAL HA H 44 3.580 3.580 3.648 -0.068 25850 9180 1 17 . 1 1 44 44 VAL C C 44 177.096 177.096 177.445 -0.349 25850 9181 1 17 . 1 1 44 44 VAL CA C 44 66.166 66.166 66.124 0.043 25850 9182 1 17 . 1 1 44 44 VAL CB C 44 31.869 31.869 31.843 0.026 25850 9183 1 17 . 1 1 44 44 VAL H H 44 7.439 7.439 7.503 -0.064 25850 9184 1 17 . 1 1 45 45 LYS N N 45 119.164 119.164 120.187 -1.023 25850 9185 1 17 . 1 1 45 45 LYS HA H 45 3.950 3.950 3.978 -0.028 25850 9186 1 17 . 1 1 45 45 LYS C C 45 179.726 179.726 178.860 0.866 25850 9187 1 17 . 1 1 45 45 LYS CA C 45 60.153 60.153 59.822 0.332 25850 9188 1 17 . 1 1 45 45 LYS CB C 45 31.446 31.446 31.596 -0.150 25850 9189 1 17 . 1 1 45 45 LYS H H 45 8.427 8.427 8.545 -0.118 25850 9190 1 17 . 1 1 46 46 GLU N N 46 118.446 118.446 119.271 -0.825 25850 9191 1 17 . 1 1 46 46 GLU HA H 46 4.092 4.092 4.284 -0.192 25850 9192 1 17 . 1 1 46 46 GLU C C 46 178.490 178.490 178.837 -0.347 25850 9193 1 17 . 1 1 46 46 GLU CA C 46 59.327 59.327 59.082 0.245 25850 9194 1 17 . 1 1 46 46 GLU CB C 46 29.764 29.764 29.675 0.089 25850 9195 1 17 . 1 1 46 46 GLU H H 46 7.867 7.867 7.831 0.036 25850 9196 1 17 . 1 1 47 47 ALA N N 47 122.279 122.279 123.090 -0.811 25850 9197 1 17 . 1 1 47 47 ALA HA H 47 3.513 3.513 3.704 -0.191 25850 9198 1 17 . 1 1 47 47 ALA C C 47 178.065 178.065 179.141 -1.076 25850 9199 1 17 . 1 1 47 47 ALA CA C 47 55.905 55.905 55.150 0.755 25850 9200 1 17 . 1 1 47 47 ALA CB C 47 18.256 18.256 18.231 0.025 25850 9201 1 17 . 1 1 47 47 ALA H H 47 8.315 8.315 7.867 0.448 25850 9202 1 17 . 1 1 48 48 ILE N N 48 115.863 115.863 118.239 -2.376 25850 9203 1 17 . 1 1 48 48 ILE HA H 48 3.401 3.401 3.616 -0.215 25850 9204 1 17 . 1 1 48 48 ILE C C 48 176.808 176.808 178.099 -1.291 25850 9205 1 17 . 1 1 48 48 ILE CA C 48 66.282 66.282 65.624 0.658 25850 9206 1 17 . 1 1 48 48 ILE CB C 48 38.375 38.375 37.869 0.506 25850 9207 1 17 . 1 1 48 48 ILE H H 48 8.077 8.077 7.699 0.378 25850 9208 1 17 . 1 1 49 49 GLU N N 49 116.853 116.853 119.419 -2.566 25850 9209 1 17 . 1 1 49 49 GLU HA H 49 3.920 3.920 3.883 0.037 25850 9210 1 17 . 1 1 49 49 GLU C C 49 179.914 179.914 179.325 0.589 25850 9211 1 17 . 1 1 49 49 GLU CA C 49 59.535 59.535 59.577 -0.042 25850 9212 1 17 . 1 1 49 49 GLU CB C 49 28.995 28.995 29.205 -0.210 25850 9213 1 17 . 1 1 49 49 GLU H H 49 7.175 7.175 7.561 -0.386 25850 9214 1 17 . 1 1 50 50 TYR N N 50 117.578 117.578 118.980 -1.402 25850 9215 1 17 . 1 1 50 50 TYR HA H 50 3.774 3.774 4.207 -0.433 25850 9216 1 17 . 1 1 50 50 TYR C C 50 178.462 178.462 178.170 0.292 25850 9217 1 17 . 1 1 50 50 TYR CA C 50 64.368 64.368 61.393 2.975 25850 9218 1 17 . 1 1 50 50 TYR CB C 50 37.345 37.345 38.193 -0.848 25850 9219 1 17 . 1 1 50 50 TYR H H 50 7.676 7.676 7.903 -0.227 25850 9220 1 17 . 1 1 51 51 PHE N N 51 119.480 119.480 118.308 1.172 25850 9221 1 17 . 1 1 51 51 PHE HA H 51 4.711 4.711 4.402 0.309 25850 9222 1 17 . 1 1 51 51 PHE C C 51 178.720 178.720 177.965 0.755 25850 9223 1 17 . 1 1 51 51 PHE CA C 51 58.958 58.958 60.243 -1.285 25850 9224 1 17 . 1 1 51 51 PHE CB C 51 37.771 37.771 38.036 -0.265 25850 9225 1 17 . 1 1 51 51 PHE H H 51 9.013 9.013 8.103 0.910 25850 9226 1 17 . 1 1 52 52 LEU N N 52 120.365 120.365 120.484 -0.119 25850 9227 1 17 . 1 1 52 52 LEU HA H 52 4.093 4.093 3.950 0.143 25850 9228 1 17 . 1 1 52 52 LEU C C 52 180.229 180.229 179.014 1.215 25850 9229 1 17 . 1 1 52 52 LEU CA C 52 58.252 58.252 58.327 -0.075 25850 9230 1 17 . 1 1 52 52 LEU CB C 52 42.160 42.160 41.407 0.753 25850 9231 1 17 . 1 1 52 52 LEU H H 52 8.906 8.906 8.609 0.297 25850 9232 1 17 . 1 1 53 53 ARG N N 53 119.294 119.294 119.054 0.240 25850 9233 1 17 . 1 1 53 53 ARG HA H 53 3.929 3.929 3.962 -0.033 25850 9234 1 17 . 1 1 53 53 ARG C C 53 179.087 179.087 178.515 0.572 25850 9235 1 17 . 1 1 53 53 ARG CA C 53 59.580 59.580 59.678 -0.098 25850 9236 1 17 . 1 1 53 53 ARG CB C 53 31.418 31.418 29.903 1.515 25850 9237 1 17 . 1 1 53 53 ARG H H 53 7.846 7.846 7.979 -0.133 25850 9238 1 17 . 1 1 54 54 ALA N N 54 121.351 121.351 121.926 -0.575 25850 9239 1 17 . 1 1 54 54 ALA HA H 54 3.693 3.693 3.870 -0.177 25850 9240 1 17 . 1 1 54 54 ALA C C 54 177.631 177.631 179.185 -1.554 25850 9241 1 17 . 1 1 54 54 ALA CA C 54 55.115 55.115 55.632 -0.517 25850 9242 1 17 . 1 1 54 54 ALA CB C 54 17.612 17.612 18.342 -0.730 25850 9243 1 17 . 1 1 54 54 ALA H H 54 8.892 8.892 8.305 0.587 25850 9244 1 17 . 1 1 55 55 LYS N N 55 117.135 117.135 118.566 -1.431 25850 9245 1 17 . 1 1 55 55 LYS HA H 55 3.835 3.835 4.417 -0.582 25850 9246 1 17 . 1 1 55 55 LYS C C 55 176.970 176.970 178.931 -1.961 25850 9247 1 17 . 1 1 55 55 LYS CA C 55 60.725 60.725 59.124 1.601 25850 9248 1 17 . 1 1 55 55 LYS CB C 55 32.602 32.602 32.525 0.077 25850 9249 1 17 . 1 1 55 55 LYS H H 55 8.626 8.626 8.132 0.494 25850 9250 1 17 . 1 1 56 56 LYS N N 56 116.695 116.695 120.114 -3.419 25850 9251 1 17 . 1 1 56 56 LYS HA H 56 4.171 4.171 4.134 0.037 25850 9252 1 17 . 1 1 56 56 LYS C C 56 180.037 180.037 179.062 0.975 25850 9253 1 17 . 1 1 56 56 LYS CA C 56 59.606 59.606 59.524 0.082 25850 9254 1 17 . 1 1 56 56 LYS CB C 56 32.349 32.349 32.376 -0.027 25850 9255 1 17 . 1 1 56 56 LYS H H 56 7.652 7.652 7.764 -0.112 25850 9256 1 17 . 1 1 57 57 VAL N N 57 120.809 120.809 119.749 1.060 25850 9257 1 17 . 1 1 57 57 VAL HA H 57 3.753 3.753 3.663 0.090 25850 9258 1 17 . 1 1 57 57 VAL C C 57 178.174 178.174 177.946 0.228 25850 9259 1 17 . 1 1 57 57 VAL CA C 57 66.226 66.226 66.587 -0.361 25850 9260 1 17 . 1 1 57 57 VAL CB C 57 31.424 31.424 31.474 -0.050 25850 9261 1 17 . 1 1 57 57 VAL H H 57 7.583 7.583 7.855 -0.272 25850 9262 1 17 . 1 1 58 58 PHE N N 58 118.864 118.864 118.685 0.179 25850 9263 1 17 . 1 1 58 58 PHE HA H 58 4.521 4.521 4.068 0.453 25850 9264 1 17 . 1 1 58 58 PHE C C 58 179.187 179.187 177.771 1.416 25850 9265 1 17 . 1 1 58 58 PHE CA C 58 59.849 59.849 61.657 -1.808 25850 9266 1 17 . 1 1 58 58 PHE CB C 58 37.753 37.753 37.950 -0.197 25850 9267 1 17 . 1 1 58 58 PHE H H 58 8.871 8.871 8.336 0.535 25850 9268 1 17 . 1 1 59 59 ASP N N 59 119.714 119.714 119.473 0.241 25850 9269 1 17 . 1 1 59 59 ASP HA H 59 4.444 4.444 4.381 0.063 25850 9270 1 17 . 1 1 59 59 ASP C C 59 180.066 180.066 178.354 1.712 25850 9271 1 17 . 1 1 59 59 ASP CA C 59 57.201 57.201 57.329 -0.128 25850 9272 1 17 . 1 1 59 59 ASP CB C 59 39.713 39.713 40.924 -1.211 25850 9273 1 17 . 1 1 59 59 ASP H H 59 9.157 9.157 8.070 1.087 25850 9274 1 17 . 1 1 60 60 ALA N N 60 124.290 124.290 121.320 2.970 25850 9275 1 17 . 1 1 60 60 ALA HA H 60 4.087 4.087 3.983 0.104 25850 9276 1 17 . 1 1 60 60 ALA C C 60 179.389 179.389 179.201 0.188 25850 9277 1 17 . 1 1 60 60 ALA CA C 60 54.760 54.760 54.224 0.536 25850 9278 1 17 . 1 1 60 60 ALA CB C 60 18.025 18.025 18.578 -0.553 25850 9279 1 17 . 1 1 60 60 ALA H H 60 7.742 7.742 7.681 0.061 25850 9280 1 17 . 1 1 61 61 GLU N N 61 114.493 114.493 115.189 -0.696 25850 9281 1 17 . 1 1 61 61 GLU HA H 61 4.259 4.259 4.112 0.147 25850 9282 1 17 . 1 1 61 61 GLU C C 61 175.970 175.970 176.045 -0.075 25850 9283 1 17 . 1 1 61 61 GLU CA C 61 55.049 55.049 56.502 -1.453 25850 9284 1 17 . 1 1 61 61 GLU CB C 61 29.724 29.724 29.863 -0.139 25850 9285 1 17 . 1 1 61 61 GLU H H 61 7.908 7.908 7.697 0.211 25850 9286 1 17 . 1 1 62 62 HIS N N 62 115.130 115.130 113.428 1.702 25850 9287 1 17 . 1 1 62 62 HIS HA H 62 4.264 4.264 4.342 -0.078 25850 9288 1 17 . 1 1 62 62 HIS C C 62 173.916 173.916 174.122 -0.206 25850 9289 1 17 . 1 1 62 62 HIS CA C 62 56.531 56.531 56.748 -0.217 25850 9290 1 17 . 1 1 62 62 HIS CB C 62 26.039 26.039 27.372 -1.333 25850 9291 1 17 . 1 1 62 62 HIS H H 62 7.830 7.830 7.355 0.475 25850 9292 1 17 . 1 1 63 63 ASP N N 63 118.507 118.507 120.165 -1.658 25850 9293 1 17 . 1 1 63 63 ASP HA H 63 4.854 4.854 4.771 0.083 25850 9294 1 17 . 1 1 63 63 ASP C C 63 176.143 176.143 176.592 -0.449 25850 9295 1 17 . 1 1 63 63 ASP CA C 63 52.127 52.127 53.694 -1.567 25850 9296 1 17 . 1 1 63 63 ASP CB C 63 40.068 40.068 41.065 -0.997 25850 9297 1 17 . 1 1 63 63 ASP H H 63 8.521 8.521 8.161 0.360 25850 9298 1 17 . 1 1 64 64 THR N N 64 119.037 119.037 120.686 -1.649 25850 9299 1 17 . 1 1 64 64 THR HA H 64 3.869 3.869 4.097 -0.228 25850 9300 1 17 . 1 1 64 64 THR C C 64 176.814 176.814 175.750 1.064 25850 9301 1 17 . 1 1 64 64 THR CA C 64 65.198 65.198 65.297 -0.100 25850 9302 1 17 . 1 1 64 64 THR CB C 64 68.315 68.315 69.023 -0.708 25850 9303 1 17 . 1 1 64 64 THR H H 64 7.907 7.907 8.248 -0.341 25850 9304 1 17 . 1 1 65 65 ASP N N 65 122.892 122.892 121.849 1.043 25850 9305 1 17 . 1 1 65 65 ASP HA H 65 4.287 4.287 4.309 -0.022 25850 9306 1 17 . 1 1 65 65 ASP C C 65 178.326 178.326 178.501 -0.175 25850 9307 1 17 . 1 1 65 65 ASP CA C 65 57.350 57.350 57.852 -0.502 25850 9308 1 17 . 1 1 65 65 ASP CB C 65 41.121 41.121 40.185 0.936 25850 9309 1 17 . 1 1 65 65 ASP H H 65 8.375 8.375 7.966 0.409 25850 9310 1 17 . 1 1 66 66 GLY N N 66 109.334 109.334 106.302 3.032 25850 9311 1 17 . 1 1 66 66 GLY C C 66 175.861 175.861 175.140 0.721 25850 9312 1 17 . 1 1 66 66 GLY CA C 66 46.136 46.136 45.809 0.328 25850 9313 1 17 . 1 1 66 66 GLY H H 66 8.234 8.234 8.385 -0.151 25850 9314 1 17 . 1 1 67 67 ALA N N 67 122.888 122.888 125.029 -2.141 25850 9315 1 17 . 1 1 67 67 ALA HA H 67 3.892 3.892 4.123 -0.231 25850 9316 1 17 . 1 1 67 67 ALA C C 67 179.384 179.384 179.653 -0.269 25850 9317 1 17 . 1 1 67 67 ALA CA C 67 55.960 55.960 54.518 1.442 25850 9318 1 17 . 1 1 67 67 ALA CB C 67 18.611 18.611 18.545 0.066 25850 9319 1 17 . 1 1 67 67 ALA H H 67 7.949 7.949 7.604 0.345 25850 9320 1 17 . 1 1 68 68 ARG N N 68 118.221 118.221 117.886 0.335 25850 9321 1 17 . 1 1 68 68 ARG HA H 68 3.993 3.993 4.023 -0.030 25850 9322 1 17 . 1 1 68 68 ARG C C 68 179.355 179.355 178.602 0.753 25850 9323 1 17 . 1 1 68 68 ARG CA C 68 59.234 59.234 59.225 0.009 25850 9324 1 17 . 1 1 68 68 ARG CB C 68 29.799 29.799 30.104 -0.305 25850 9325 1 17 . 1 1 68 68 ARG H H 68 7.917 7.917 8.150 -0.233 25850 9326 1 17 . 1 1 69 69 ARG N N 69 120.551 120.551 120.167 0.384 25850 9327 1 17 . 1 1 69 69 ARG HA H 69 3.923 3.923 3.974 -0.051 25850 9328 1 17 . 1 1 69 69 ARG C C 69 179.120 179.120 177.958 1.162 25850 9329 1 17 . 1 1 69 69 ARG CA C 69 59.310 59.310 59.257 0.053 25850 9330 1 17 . 1 1 69 69 ARG CB C 69 29.189 29.189 29.906 -0.717 25850 9331 1 17 . 1 1 69 69 ARG H H 69 7.749 7.749 7.694 0.055 25850 9332 1 17 . 1 1 70 70 ALA N N 70 121.098 121.098 120.391 0.707 25850 9333 1 17 . 1 1 70 70 ALA HA H 70 4.016 4.016 4.418 -0.402 25850 9334 1 17 . 1 1 70 70 ALA C C 70 178.438 178.438 179.415 -0.977 25850 9335 1 17 . 1 1 70 70 ALA CA C 70 55.536 55.536 54.672 0.864 25850 9336 1 17 . 1 1 70 70 ALA CB C 70 17.216 17.216 18.462 -1.246 25850 9337 1 17 . 1 1 70 70 ALA H H 70 8.245 8.245 8.010 0.235 25850 9338 1 17 . 1 1 71 71 ALA N N 71 119.333 119.333 121.221 -1.888 25850 9339 1 17 . 1 1 71 71 ALA HA H 71 4.047 4.047 4.029 0.018 25850 9340 1 17 . 1 1 71 71 ALA C C 71 180.219 180.219 178.973 1.246 25850 9341 1 17 . 1 1 71 71 ALA CA C 71 55.083 55.083 54.979 0.104 25850 9342 1 17 . 1 1 71 71 ALA CB C 71 18.198 18.198 18.236 -0.038 25850 9343 1 17 . 1 1 71 71 ALA H H 71 8.565 8.565 7.810 0.755 25850 9344 1 17 . 1 1 72 72 LYS N N 72 121.188 121.188 119.022 2.166 25850 9345 1 17 . 1 1 72 72 LYS HA H 72 4.107 4.107 3.985 0.122 25850 9346 1 17 . 1 1 72 72 LYS C C 72 179.155 179.155 178.645 0.510 25850 9347 1 17 . 1 1 72 72 LYS CA C 72 59.271 59.271 59.307 -0.036 25850 9348 1 17 . 1 1 72 72 LYS CB C 72 31.786 31.786 32.381 -0.595 25850 9349 1 17 . 1 1 72 72 LYS H H 72 8.108 8.108 7.986 0.122 25850 9350 1 17 . 1 1 73 73 SER N N 73 116.976 116.976 115.471 1.505 25850 9351 1 17 . 1 1 73 73 SER HA H 73 3.957 3.957 3.981 -0.024 25850 9352 1 17 . 1 1 73 73 SER C C 73 176.394 176.394 176.188 0.206 25850 9353 1 17 . 1 1 73 73 SER CA C 73 62.753 62.753 61.468 1.285 25850 9354 1 17 . 1 1 73 73 SER CB C 73 60.718 60.718 62.341 -1.623 25850 9355 1 17 . 1 1 73 73 SER H H 73 8.057 8.057 7.620 0.437 25850 9356 1 17 . 1 1 74 74 LEU N N 74 123.741 123.741 122.490 1.251 25850 9357 1 17 . 1 1 74 74 LEU HA H 74 3.831 3.831 3.679 0.152 25850 9358 1 17 . 1 1 74 74 LEU C C 74 176.704 176.704 178.019 -1.315 25850 9359 1 17 . 1 1 74 74 LEU CA C 74 58.545 58.545 57.962 0.583 25850 9360 1 17 . 1 1 74 74 LEU CB C 74 41.862 41.862 41.593 0.269 25850 9361 1 17 . 1 1 74 74 LEU H H 74 8.341 8.341 7.820 0.521 25850 9362 1 17 . 1 1 75 75 SER N N 75 113.508 113.508 114.590 -1.082 25850 9363 1 17 . 1 1 75 75 SER HA H 75 4.277 4.277 4.292 -0.015 25850 9364 1 17 . 1 1 75 75 SER C C 75 177.668 177.668 176.934 0.734 25850 9365 1 17 . 1 1 75 75 SER CA C 75 61.926 61.926 61.701 0.225 25850 9366 1 17 . 1 1 75 75 SER CB C 75 62.702 62.702 62.460 0.242 25850 9367 1 17 . 1 1 75 75 SER H H 75 8.055 8.055 7.840 0.215 25850 9368 1 17 . 1 1 76 76 GLU N N 76 119.999 119.999 120.449 -0.450 25850 9369 1 17 . 1 1 76 76 GLU HA H 76 4.041 4.041 4.130 -0.089 25850 9370 1 17 . 1 1 76 76 GLU C C 76 178.836 178.836 178.567 0.269 25850 9371 1 17 . 1 1 76 76 GLU CA C 76 58.928 58.928 58.607 0.321 25850 9372 1 17 . 1 1 76 76 GLU CB C 76 29.684 29.684 29.265 0.419 25850 9373 1 17 . 1 1 76 76 GLU H H 76 7.874 7.874 7.703 0.171 25850 9374 1 17 . 1 1 77 77 ALA N N 77 123.551 123.551 122.703 0.848 25850 9375 1 17 . 1 1 77 77 ALA HA H 77 4.242 4.242 4.226 0.016 25850 9376 1 17 . 1 1 77 77 ALA C C 77 180.005 180.005 179.731 0.274 25850 9377 1 17 . 1 1 77 77 ALA CA C 77 55.031 55.031 54.504 0.527 25850 9378 1 17 . 1 1 77 77 ALA CB C 77 18.237 18.237 18.645 -0.408 25850 9379 1 17 . 1 1 77 77 ALA H H 77 8.043 8.043 7.413 0.630 25850 9380 1 17 . 1 1 78 78 TYR N N 78 116.371 116.371 117.542 -1.171 25850 9381 1 17 . 1 1 78 78 TYR HA H 78 4.418 4.418 4.196 0.222 25850 9382 1 17 . 1 1 78 78 TYR C C 78 178.901 178.901 178.546 0.355 25850 9383 1 17 . 1 1 78 78 TYR CA C 78 60.302 60.302 60.105 0.196 25850 9384 1 17 . 1 1 78 78 TYR CB C 78 37.416 37.416 37.152 0.264 25850 9385 1 17 . 1 1 78 78 TYR H H 78 8.699 8.699 8.199 0.500 25850 9386 1 17 . 1 1 79 79 GLN N N 79 116.649 116.649 118.375 -1.726 25850 9387 1 17 . 1 1 79 79 GLN HA H 79 4.212 4.212 4.009 0.203 25850 9388 1 17 . 1 1 79 79 GLN C C 79 177.778 177.778 177.436 0.342 25850 9389 1 17 . 1 1 79 79 GLN CA C 79 57.922 57.922 58.709 -0.786 25850 9390 1 17 . 1 1 79 79 GLN CB C 79 28.659 28.659 28.384 0.275 25850 9391 1 17 . 1 1 79 79 GLN H H 79 7.667 7.667 8.015 -0.348 25850 9392 1 17 . 1 1 80 80 LYS N N 80 118.855 118.855 116.490 2.365 25850 9393 1 17 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.222 0.071 25850 9394 1 17 . 1 1 80 80 LYS C C 80 178.038 178.038 178.764 -0.726 25850 9395 1 17 . 1 1 80 80 LYS CA C 80 57.474 57.474 58.214 -0.740 25850 9396 1 17 . 1 1 80 80 LYS CB C 80 32.816 32.816 32.752 0.064 25850 9397 1 17 . 1 1 80 80 LYS H H 80 7.766 7.766 7.666 0.100 25850 9398 1 17 . 1 1 81 81 VAL N N 81 117.863 117.863 119.988 -2.125 25850 9399 1 17 . 1 1 81 81 VAL HA H 81 4.076 4.076 3.831 0.245 25850 9400 1 17 . 1 1 81 81 VAL C C 81 176.805 176.805 177.387 -0.582 25850 9401 1 17 . 1 1 81 81 VAL CA C 81 63.409 63.409 65.389 -1.980 25850 9402 1 17 . 1 1 81 81 VAL CB C 81 32.423 32.423 31.811 0.612 25850 9403 1 17 . 1 1 81 81 VAL H H 81 7.821 7.821 7.412 0.409 25850 9404 1 17 . 1 1 82 82 GLU N N 82 122.552 122.552 119.014 3.538 25850 9405 1 17 . 1 1 82 82 GLU HA H 82 4.277 4.277 4.280 -0.003 25850 9406 1 17 . 1 1 82 82 GLU C C 82 177.559 177.559 176.934 0.625 25850 9407 1 17 . 1 1 82 82 GLU CA C 82 57.300 57.300 56.360 0.940 25850 9408 1 17 . 1 1 82 82 GLU CB C 82 29.927 29.927 29.753 0.173 25850 9409 1 17 . 1 1 82 82 GLU H H 82 8.329 8.329 7.788 0.541 25850 9410 1 17 . 1 1 83 83 GLY N N 83 109.040 109.040 108.674 0.366 25850 9411 1 17 . 1 1 83 83 GLY C C 83 174.590 174.590 174.252 0.338 25850 9412 1 17 . 1 1 83 83 GLY CA C 83 45.530 45.530 44.901 0.629 25850 9413 1 17 . 1 1 83 83 GLY H H 83 8.309 8.309 7.950 0.359 25850 9414 1 17 . 1 1 84 84 SER N N 84 115.258 115.258 116.583 -1.325 25850 9415 1 17 . 1 1 84 84 SER HA H 84 4.495 4.495 4.337 0.158 25850 9416 1 17 . 1 1 84 84 SER C C 84 175.217 175.217 175.756 -0.539 25850 9417 1 17 . 1 1 84 84 SER CA C 84 58.580 58.580 58.134 0.446 25850 9418 1 17 . 1 1 84 84 SER CB C 84 63.827 63.827 62.561 1.266 25850 9419 1 17 . 1 1 84 84 SER H H 84 8.180 8.180 7.889 0.291 25850 9420 1 17 . 1 1 85 85 GLY N N 85 110.681 110.681 111.033 -0.352 25850 9421 1 17 . 1 1 85 85 GLY C C 85 174.063 174.063 174.463 -0.400 25850 9422 1 17 . 1 1 85 85 GLY CA C 85 45.395 45.395 45.282 0.113 25850 9423 1 17 . 1 1 85 85 GLY H H 85 8.472 8.472 8.340 0.132 25850 9424 1 17 . 1 1 86 86 ASP N N 86 120.537 120.537 120.883 -0.346 25850 9425 1 17 . 1 1 86 86 ASP HA H 86 4.597 4.597 4.670 -0.073 25850 9426 1 17 . 1 1 86 86 ASP C C 86 176.761 176.761 175.625 1.136 25850 9427 1 17 . 1 1 86 86 ASP CA C 86 54.451 54.451 53.948 0.503 25850 9428 1 17 . 1 1 86 86 ASP CB C 86 41.069 41.069 41.633 -0.564 25850 9429 1 17 . 1 1 86 86 ASP H H 86 8.272 8.272 8.033 0.239 25850 9430 1 17 . 1 1 87 87 LYS N N 87 121.608 121.608 124.027 -2.419 25850 9431 1 17 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.483 -0.237 25850 9432 1 17 . 1 1 87 87 LYS C C 87 177.342 177.342 177.160 0.182 25850 9433 1 17 . 1 1 87 87 LYS CA C 87 56.545 56.545 55.870 0.675 25850 9434 1 17 . 1 1 87 87 LYS CB C 87 32.302 32.302 33.144 -0.842 25850 9435 1 17 . 1 1 87 87 LYS H H 87 8.344 8.344 8.327 0.017 25850 9436 1 17 . 1 1 88 88 GLY N N 88 108.711 108.711 109.739 -1.028 25850 9437 1 17 . 1 1 88 88 GLY C C 88 174.216 174.216 173.805 0.411 25850 9438 1 17 . 1 1 88 88 GLY CA C 88 45.339 45.339 44.654 0.685 25850 9439 1 17 . 1 1 88 88 GLY H H 88 8.449 8.449 8.033 0.416 25850 9440 1 17 . 1 1 89 89 LYS N N 89 120.508 120.508 116.260 4.248 25850 9441 1 17 . 1 1 89 89 LYS HA H 89 4.266 4.266 3.567 0.699 25850 9442 1 17 . 1 1 89 89 LYS C C 89 176.464 176.464 174.939 1.525 25850 9443 1 17 . 1 1 89 89 LYS CA C 89 56.214 56.214 56.074 0.140 25850 9444 1 17 . 1 1 89 89 LYS CB C 89 32.824 32.824 30.670 2.154 25850 9445 1 17 . 1 1 89 89 LYS H H 89 7.958 7.958 8.208 -0.250 25850 9446 1 17 . 1 1 90 90 ILE N N 90 121.127 121.127 120.000 1.127 25850 9447 1 17 . 1 1 90 90 ILE HA H 90 4.091 4.091 3.873 0.218 25850 9448 1 17 . 1 1 90 90 ILE C C 90 175.896 175.896 175.521 0.375 25850 9449 1 17 . 1 1 90 90 ILE CA C 90 61.022 61.022 60.927 0.095 25850 9450 1 17 . 1 1 90 90 ILE CB C 90 38.488 38.488 36.211 2.277 25850 9451 1 17 . 1 1 90 90 ILE H H 90 8.005 8.005 7.600 0.405 25850 9452 1 17 . 1 1 91 91 PHE N N 91 123.843 123.843 127.888 -4.045 25850 9453 1 17 . 1 1 91 91 PHE HA H 91 4.615 4.615 4.512 0.103 25850 9454 1 17 . 1 1 91 91 PHE C C 91 175.327 175.327 176.013 -0.686 25850 9455 1 17 . 1 1 91 91 PHE CA C 91 57.565 57.565 57.260 0.305 25850 9456 1 17 . 1 1 91 91 PHE CB C 91 39.457 39.457 38.679 0.778 25850 9457 1 17 . 1 1 91 91 PHE H H 91 8.283 8.283 7.715 0.568 25850 9458 1 17 . 1 1 92 92 GLN N N 92 122.349 122.349 124.537 -2.188 25850 9459 1 17 . 1 1 92 92 GLN HA H 92 4.296 4.296 4.280 0.016 25850 9460 1 17 . 1 1 92 92 GLN C C 92 175.338 175.338 175.199 0.139 25850 9461 1 17 . 1 1 92 92 GLN CA C 92 55.492 55.492 55.982 -0.490 25850 9462 1 17 . 1 1 92 92 GLN CB C 92 29.708 29.708 29.563 0.145 25850 9463 1 17 . 1 1 92 92 GLN H H 92 8.212 8.212 8.542 -0.330 25850 9464 1 17 . 1 1 93 93 LYS N N 93 123.137 123.137 122.857 0.280 25850 9465 1 17 . 1 1 93 93 LYS HA H 93 4.250 4.250 4.207 0.043 25850 9466 1 17 . 1 1 93 93 LYS C C 93 176.492 176.492 176.892 -0.400 25850 9467 1 17 . 1 1 93 93 LYS CA C 93 56.272 56.272 56.952 -0.680 25850 9468 1 17 . 1 1 93 93 LYS CB C 93 33.055 33.055 32.330 0.725 25850 9469 1 17 . 1 1 93 93 LYS H H 93 8.364 8.364 8.372 -0.008 25850 9470 1 17 . 1 1 94 94 GLU N N 94 122.671 122.671 121.165 1.506 25850 9471 1 17 . 1 1 94 94 GLU HA H 94 4.246 4.246 4.086 0.160 25850 9472 1 17 . 1 1 94 94 GLU C C 94 177.008 177.008 176.113 0.895 25850 9473 1 17 . 1 1 94 94 GLU CA C 94 56.848 56.848 57.035 -0.188 25850 9474 1 17 . 1 1 94 94 GLU CB C 94 30.054 30.054 29.840 0.214 25850 9475 1 17 . 1 1 94 94 GLU H H 94 8.571 8.571 8.598 -0.027 25850 9476 1 17 . 1 1 95 95 GLY N N 95 110.337 110.337 107.842 2.495 25850 9477 1 17 . 1 1 95 95 GLY C C 95 174.070 174.070 173.278 0.792 25850 9478 1 17 . 1 1 95 95 GLY CA C 95 45.191 45.191 44.926 0.265 25850 9479 1 17 . 1 1 95 95 GLY H H 95 8.490 8.490 8.287 0.203 25850 9480 1 17 . 1 1 96 96 GLU N N 96 120.183 120.183 122.855 -2.672 25850 9481 1 17 . 1 1 96 96 GLU HA H 96 4.339 4.339 4.094 0.245 25850 9482 1 17 . 1 1 96 96 GLU C C 96 176.463 176.463 176.564 -0.101 25850 9483 1 17 . 1 1 96 96 GLU CA C 96 56.204 56.204 57.309 -1.105 25850 9484 1 17 . 1 1 96 96 GLU CB C 96 30.433 30.433 29.477 0.956 25850 9485 1 17 . 1 1 96 96 GLU H H 96 8.142 8.142 8.531 -0.389 25850 9486 1 17 . 1 1 97 97 SER N N 97 116.979 116.979 116.571 0.408 25850 9487 1 17 . 1 1 97 97 SER HA H 97 4.472 4.472 4.196 0.276 25850 9488 1 17 . 1 1 97 97 SER C C 97 174.162 174.162 173.303 0.859 25850 9489 1 17 . 1 1 97 97 SER CA C 97 58.070 58.070 58.794 -0.724 25850 9490 1 17 . 1 1 97 97 SER CB C 97 63.710 63.710 63.566 0.144 25850 9491 1 17 . 1 1 97 97 SER H H 97 8.381 8.381 8.500 -0.119 25850 9492 1 17 . 1 1 98 98 ILE N N 98 122.626 122.626 124.151 -1.525 25850 9493 1 17 . 1 1 98 98 ILE HA H 98 4.201 4.201 4.482 -0.281 25850 9494 1 17 . 1 1 98 98 ILE C C 98 175.921 175.921 175.578 0.343 25850 9495 1 17 . 1 1 98 98 ILE CA C 98 60.947 60.947 60.817 0.130 25850 9496 1 17 . 1 1 98 98 ILE CB C 98 38.616 38.616 39.042 -0.426 25850 9497 1 17 . 1 1 98 98 ILE H H 98 8.216 8.216 8.238 -0.022 25850 9498 1 17 . 1 1 99 99 LEU N N 99 126.765 126.765 123.357 3.408 25850 9499 1 17 . 1 1 99 99 LEU HA H 99 4.399 4.399 4.060 0.339 25850 9500 1 17 . 1 1 99 99 LEU C C 99 176.093 176.093 176.642 -0.549 25850 9501 1 17 . 1 1 99 99 LEU CA C 99 54.853 54.853 55.343 -0.490 25850 9502 1 17 . 1 1 99 99 LEU CB C 99 42.135 42.135 41.664 0.471 25850 9503 1 17 . 1 1 99 99 LEU H H 99 8.326 8.326 8.534 -0.208 25850 9504 1 18 . 1 1 2 2 GLY C C 2 173.891 173.891 174.087 -0.196 25850 9505 1 18 . 1 1 2 2 GLY CA C 2 44.831 44.831 44.808 0.023 25850 9506 1 18 . 1 1 3 3 SER N N 3 117.545 117.545 121.254 -3.709 25850 9507 1 18 . 1 1 3 3 SER HA H 3 4.799 4.799 4.660 0.139 25850 9508 1 18 . 1 1 3 3 SER C C 3 173.162 173.162 174.329 -1.167 25850 9509 1 18 . 1 1 3 3 SER CA C 3 56.530 56.530 56.735 -0.205 25850 9510 1 18 . 1 1 3 3 SER CB C 3 63.002 63.002 63.821 -0.819 25850 9511 1 18 . 1 1 3 3 SER H H 3 8.428 8.428 7.909 0.519 25850 9512 1 18 . 1 1 4 4 PRO HA H 4 4.644 4.644 4.621 0.023 25850 9513 1 18 . 1 1 4 4 PRO C C 4 178.093 178.093 178.430 -0.337 25850 9514 1 18 . 1 1 4 4 PRO CA C 4 65.378 65.378 65.536 -0.158 25850 9515 1 18 . 1 1 4 4 PRO CB C 4 31.965 31.965 31.810 0.155 25850 9516 1 18 . 1 1 5 5 ASP N N 5 115.270 115.270 117.734 -2.464 25850 9517 1 18 . 1 1 5 5 ASP HA H 5 4.353 4.353 4.271 0.082 25850 9518 1 18 . 1 1 5 5 ASP C C 5 178.915 178.915 178.469 0.446 25850 9519 1 18 . 1 1 5 5 ASP CA C 5 56.796 56.796 58.301 -1.505 25850 9520 1 18 . 1 1 5 5 ASP CB C 5 40.690 40.690 40.116 0.574 25850 9521 1 18 . 1 1 5 5 ASP H H 5 8.233 8.233 8.771 -0.538 25850 9522 1 18 . 1 1 6 6 GLU N N 6 121.390 121.390 119.345 2.045 25850 9523 1 18 . 1 1 6 6 GLU HA H 6 4.027 4.027 3.934 0.093 25850 9524 1 18 . 1 1 6 6 GLU C C 6 178.836 178.836 178.834 0.002 25850 9525 1 18 . 1 1 6 6 GLU CA C 6 58.594 58.594 59.166 -0.572 25850 9526 1 18 . 1 1 6 6 GLU CB C 6 29.641 29.641 29.341 0.300 25850 9527 1 18 . 1 1 6 6 GLU H H 6 7.770 7.770 7.833 -0.063 25850 9528 1 18 . 1 1 7 7 ASN N N 7 119.966 119.966 118.400 1.566 25850 9529 1 18 . 1 1 7 7 ASN HA H 7 4.155 4.155 4.132 0.023 25850 9530 1 18 . 1 1 7 7 ASN C C 7 176.723 176.723 177.275 -0.552 25850 9531 1 18 . 1 1 7 7 ASN CA C 7 55.007 55.007 55.447 -0.440 25850 9532 1 18 . 1 1 7 7 ASN CB C 7 36.627 36.627 37.987 -1.360 25850 9533 1 18 . 1 1 7 7 ASN H H 7 8.378 8.378 7.941 0.437 25850 9534 1 18 . 1 1 8 8 ILE N N 8 119.915 119.915 121.281 -1.366 25850 9535 1 18 . 1 1 8 8 ILE HA H 8 3.608 3.608 3.613 -0.005 25850 9536 1 18 . 1 1 8 8 ILE CA C 8 66.495 66.495 65.761 0.734 25850 9537 1 18 . 1 1 8 8 ILE CB C 8 37.558 37.558 37.634 -0.076 25850 9538 1 18 . 1 1 8 8 ILE H H 8 8.626 8.626 8.216 0.411 25850 9539 1 18 . 1 1 9 9 ALA N N 9 121.268 121.268 120.991 0.277 25850 9540 1 18 . 1 1 9 9 ALA HA H 9 4.235 4.235 3.938 0.297 25850 9541 1 18 . 1 1 9 9 ALA C C 9 180.624 180.624 179.162 1.462 25850 9542 1 18 . 1 1 9 9 ALA CA C 9 54.922 54.922 55.258 -0.336 25850 9543 1 18 . 1 1 9 9 ALA CB C 9 17.710 17.710 17.899 -0.190 25850 9544 1 18 . 1 1 9 9 ALA H H 9 7.597 7.597 8.007 -0.410 25850 9545 1 18 . 1 1 10 10 LYS N N 10 118.798 118.798 119.242 -0.444 25850 9546 1 18 . 1 1 10 10 LYS HA H 10 4.011 4.011 4.002 0.009 25850 9547 1 18 . 1 1 10 10 LYS C C 10 180.034 180.034 178.972 1.062 25850 9548 1 18 . 1 1 10 10 LYS CA C 10 59.264 59.264 59.091 0.173 25850 9549 1 18 . 1 1 10 10 LYS CB C 10 31.744 31.744 32.208 -0.464 25850 9550 1 18 . 1 1 10 10 LYS H H 10 7.569 7.569 7.367 0.202 25850 9551 1 18 . 1 1 11 11 PHE N N 11 121.394 121.394 117.717 3.677 25850 9552 1 18 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.456 0.272 25850 9553 1 18 . 1 1 11 11 PHE C C 11 178.445 178.445 178.507 -0.062 25850 9554 1 18 . 1 1 11 11 PHE CA C 11 59.549 59.549 59.056 0.493 25850 9555 1 18 . 1 1 11 11 PHE CB C 11 39.001 39.001 38.062 0.939 25850 9556 1 18 . 1 1 11 11 PHE H H 11 8.347 8.347 8.043 0.304 25850 9557 1 18 . 1 1 12 12 GLU N N 12 121.864 121.864 120.455 1.409 25850 9558 1 18 . 1 1 12 12 GLU HA H 12 4.127 4.127 4.149 -0.022 25850 9559 1 18 . 1 1 12 12 GLU C C 12 179.600 179.600 179.123 0.477 25850 9560 1 18 . 1 1 12 12 GLU CA C 12 59.803 59.803 59.814 -0.011 25850 9561 1 18 . 1 1 12 12 GLU CB C 12 29.488 29.488 28.999 0.489 25850 9562 1 18 . 1 1 12 12 GLU H H 12 9.184 9.184 8.493 0.691 25850 9563 1 18 . 1 1 13 13 LYS N N 13 120.472 120.472 119.617 0.855 25850 9564 1 18 . 1 1 13 13 LYS HA H 13 4.127 4.127 4.118 0.009 25850 9565 1 18 . 1 1 13 13 LYS C C 13 179.120 179.120 179.045 0.075 25850 9566 1 18 . 1 1 13 13 LYS CA C 13 59.308 59.308 59.317 -0.009 25850 9567 1 18 . 1 1 13 13 LYS CB C 13 32.147 32.147 32.276 -0.130 25850 9568 1 18 . 1 1 13 13 LYS H H 13 7.800 7.800 7.744 0.056 25850 9569 1 18 . 1 1 14 14 ALA N N 14 122.753 122.753 121.687 1.066 25850 9570 1 18 . 1 1 14 14 ALA HA H 14 4.205 4.205 4.201 0.004 25850 9571 1 18 . 1 1 14 14 ALA C C 14 180.640 180.640 179.693 0.947 25850 9572 1 18 . 1 1 14 14 ALA CA C 14 54.756 54.756 54.905 -0.149 25850 9573 1 18 . 1 1 14 14 ALA CB C 14 17.913 17.913 18.305 -0.392 25850 9574 1 18 . 1 1 14 14 ALA H H 14 8.001 8.001 7.938 0.063 25850 9575 1 18 . 1 1 15 15 TYR HA H 15 3.850 3.850 4.219 -0.369 25850 9576 1 18 . 1 1 15 15 TYR C C 15 175.898 175.898 177.651 -1.753 25850 9577 1 18 . 1 1 15 15 TYR CA C 15 62.008 62.008 61.352 0.656 25850 9578 1 18 . 1 1 15 15 TYR CB C 15 37.756 37.756 38.671 -0.915 25850 9579 1 18 . 1 1 15 15 TYR H H 15 8.906 8.906 8.036 0.870 25850 9580 1 18 . 1 1 16 16 LYS N N 16 119.082 119.082 117.714 1.368 25850 9581 1 18 . 1 1 16 16 LYS HA H 16 3.985 3.985 3.879 0.106 25850 9582 1 18 . 1 1 16 16 LYS C C 16 179.068 179.068 178.837 0.231 25850 9583 1 18 . 1 1 16 16 LYS CA C 16 58.622 58.622 59.745 -1.123 25850 9584 1 18 . 1 1 16 16 LYS CB C 16 32.131 32.131 32.317 -0.186 25850 9585 1 18 . 1 1 16 16 LYS H H 16 8.059 8.059 8.299 -0.240 25850 9586 1 18 . 1 1 17 17 LYS N N 17 119.708 119.708 119.822 -0.114 25850 9587 1 18 . 1 1 17 17 LYS HA H 17 4.142 4.142 4.140 0.002 25850 9588 1 18 . 1 1 17 17 LYS CA C 17 57.951 57.951 58.538 -0.587 25850 9589 1 18 . 1 1 17 17 LYS CB C 17 31.802 31.802 32.458 -0.656 25850 9590 1 18 . 1 1 17 17 LYS H H 17 7.900 7.900 7.764 0.136 25850 9591 1 18 . 1 1 18 18 ALA N N 18 120.860 120.860 122.050 -1.190 25850 9592 1 18 . 1 1 18 18 ALA HA H 18 4.329 4.329 4.017 0.312 25850 9593 1 18 . 1 1 18 18 ALA C C 18 179.572 179.572 179.254 0.318 25850 9594 1 18 . 1 1 18 18 ALA CA C 18 54.110 54.110 55.295 -1.185 25850 9595 1 18 . 1 1 18 18 ALA CB C 18 18.782 18.782 18.078 0.704 25850 9596 1 18 . 1 1 18 18 ALA H H 18 7.854 7.854 7.821 0.033 25850 9597 1 18 . 1 1 19 19 GLU N N 19 120.904 120.904 118.416 2.488 25850 9598 1 18 . 1 1 19 19 GLU HA H 19 4.240 4.240 3.891 0.349 25850 9599 1 18 . 1 1 19 19 GLU C C 19 180.268 180.268 178.758 1.510 25850 9600 1 18 . 1 1 19 19 GLU CA C 19 59.147 59.147 58.466 0.681 25850 9601 1 18 . 1 1 19 19 GLU CB C 19 29.889 29.889 29.467 0.422 25850 9602 1 18 . 1 1 19 19 GLU H H 19 8.690 8.690 8.053 0.637 25850 9603 1 18 . 1 1 20 20 GLU N N 20 120.868 120.868 119.714 1.154 25850 9604 1 18 . 1 1 20 20 GLU HA H 20 4.024 4.024 4.085 -0.061 25850 9605 1 18 . 1 1 20 20 GLU C C 20 177.975 177.975 178.118 -0.143 25850 9606 1 18 . 1 1 20 20 GLU CA C 20 58.935 58.935 58.705 0.230 25850 9607 1 18 . 1 1 20 20 GLU CB C 20 29.549 29.549 29.651 -0.103 25850 9608 1 18 . 1 1 20 20 GLU H H 20 7.898 7.898 7.678 0.220 25850 9609 1 18 . 1 1 21 21 LEU N N 21 116.701 116.701 116.730 -0.029 25850 9610 1 18 . 1 1 21 21 LEU HA H 21 4.351 4.351 4.261 0.090 25850 9611 1 18 . 1 1 21 21 LEU C C 21 176.199 176.199 176.110 0.089 25850 9612 1 18 . 1 1 21 21 LEU CA C 21 54.158 54.158 54.810 -0.652 25850 9613 1 18 . 1 1 21 21 LEU CB C 21 41.776 41.776 42.352 -0.576 25850 9614 1 18 . 1 1 21 21 LEU H H 21 7.393 7.393 7.450 -0.057 25850 9615 1 18 . 1 1 22 22 ASN N N 22 118.557 118.557 112.964 5.593 25850 9616 1 18 . 1 1 22 22 ASN HA H 22 4.278 4.278 4.378 -0.100 25850 9617 1 18 . 1 1 22 22 ASN C C 22 174.436 174.436 174.537 -0.101 25850 9618 1 18 . 1 1 22 22 ASN CA C 22 54.104 54.104 54.160 -0.056 25850 9619 1 18 . 1 1 22 22 ASN CB C 22 37.364 37.364 36.563 0.801 25850 9620 1 18 . 1 1 22 22 ASN H H 22 7.994 7.994 7.518 0.476 25850 9621 1 18 . 1 1 23 23 GLN N N 23 118.344 118.344 118.761 -0.417 25850 9622 1 18 . 1 1 23 23 GLN HA H 23 4.557 4.557 4.388 0.169 25850 9623 1 18 . 1 1 23 23 GLN C C 23 176.685 176.685 176.467 0.218 25850 9624 1 18 . 1 1 23 23 GLN CA C 23 53.983 53.983 54.964 -0.981 25850 9625 1 18 . 1 1 23 23 GLN CB C 23 27.770 27.770 27.052 0.718 25850 9626 1 18 . 1 1 23 23 GLN H H 23 8.378 8.378 7.829 0.549 25850 9627 1 18 . 1 1 24 24 GLY N N 24 113.071 113.071 114.232 -1.161 25850 9628 1 18 . 1 1 24 24 GLY C C 24 175.286 175.286 175.386 -0.100 25850 9629 1 18 . 1 1 24 24 GLY CA C 24 47.823 47.823 47.168 0.655 25850 9630 1 18 . 1 1 24 24 GLY H H 24 8.468 8.468 8.599 -0.131 25850 9631 1 18 . 1 1 25 25 GLU N N 25 120.717 120.717 121.951 -1.234 25850 9632 1 18 . 1 1 25 25 GLU HA H 25 4.124 4.124 4.040 0.084 25850 9633 1 18 . 1 1 25 25 GLU C C 25 176.495 176.495 178.741 -2.246 25850 9634 1 18 . 1 1 25 25 GLU CA C 25 59.621 59.621 59.618 0.003 25850 9635 1 18 . 1 1 25 25 GLU CB C 25 28.636 28.636 29.535 -0.898 25850 9636 1 18 . 1 1 25 25 GLU H H 25 9.067 9.067 8.043 1.024 25850 9637 1 18 . 1 1 26 26 LEU HA H 26 4.222 4.222 4.134 0.088 25850 9638 1 18 . 1 1 26 26 LEU C C 26 180.590 180.590 179.552 1.038 25850 9639 1 18 . 1 1 26 26 LEU CA C 26 56.882 56.882 57.615 -0.733 25850 9640 1 18 . 1 1 26 26 LEU CB C 26 41.231 41.231 41.821 -0.590 25850 9641 1 18 . 1 1 26 26 LEU H H 26 7.165 7.165 8.108 -0.943 25850 9642 1 18 . 1 1 27 27 MET N N 27 121.053 121.053 118.094 2.959 25850 9643 1 18 . 1 1 27 27 MET HA H 27 3.932 3.932 4.248 -0.316 25850 9644 1 18 . 1 1 27 27 MET CA C 27 59.980 59.980 59.834 0.146 25850 9645 1 18 . 1 1 27 27 MET CB C 27 34.537 34.537 32.425 2.112 25850 9646 1 18 . 1 1 27 27 MET H H 27 8.203 8.203 7.788 0.415 25850 9647 1 18 . 1 1 28 28 GLY N N 28 106.038 106.038 107.172 -1.134 25850 9648 1 18 . 1 1 28 28 GLY C C 28 174.900 174.900 175.735 -0.835 25850 9649 1 18 . 1 1 28 28 GLY CA C 28 47.672 47.672 46.489 1.183 25850 9650 1 18 . 1 1 28 28 GLY H H 28 8.527 8.527 8.394 0.133 25850 9651 1 18 . 1 1 29 29 ARG N N 29 120.201 120.201 122.282 -2.081 25850 9652 1 18 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.190 0.005 25850 9653 1 18 . 1 1 29 29 ARG C C 29 178.065 178.065 178.504 -0.439 25850 9654 1 18 . 1 1 29 29 ARG CA C 29 59.974 59.974 59.499 0.475 25850 9655 1 18 . 1 1 29 29 ARG CB C 29 30.416 30.416 30.190 0.226 25850 9656 1 18 . 1 1 29 29 ARG H H 29 8.224 8.224 8.297 -0.073 25850 9657 1 18 . 1 1 30 30 ALA N N 30 121.394 121.394 122.800 -1.406 25850 9658 1 18 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.102 0.095 25850 9659 1 18 . 1 1 30 30 ALA C C 30 179.433 179.433 179.790 -0.357 25850 9660 1 18 . 1 1 30 30 ALA CA C 30 55.838 55.838 55.102 0.736 25850 9661 1 18 . 1 1 30 30 ALA CB C 30 18.269 18.269 18.352 -0.083 25850 9662 1 18 . 1 1 30 30 ALA H H 30 7.876 7.876 7.735 0.141 25850 9663 1 18 . 1 1 31 31 LEU N N 31 116.122 116.122 118.288 -2.166 25850 9664 1 18 . 1 1 31 31 LEU HA H 31 4.003 4.003 3.906 0.097 25850 9665 1 18 . 1 1 31 31 LEU C C 31 178.416 178.416 179.272 -0.856 25850 9666 1 18 . 1 1 31 31 LEU CA C 31 57.921 57.921 57.775 0.146 25850 9667 1 18 . 1 1 31 31 LEU CB C 31 42.463 42.463 41.864 0.599 25850 9668 1 18 . 1 1 31 31 LEU H H 31 8.084 8.084 8.007 0.077 25850 9669 1 18 . 1 1 32 32 TYR N N 32 119.225 119.225 120.240 -1.015 25850 9670 1 18 . 1 1 32 32 TYR HA H 32 4.063 4.063 4.321 -0.258 25850 9671 1 18 . 1 1 32 32 TYR C C 32 176.310 176.310 177.888 -1.578 25850 9672 1 18 . 1 1 32 32 TYR CA C 32 61.992 61.992 61.756 0.236 25850 9673 1 18 . 1 1 32 32 TYR CB C 32 38.659 38.659 38.532 0.127 25850 9674 1 18 . 1 1 32 32 TYR H H 32 8.562 8.562 8.322 0.240 25850 9675 1 18 . 1 1 33 33 ASN N N 33 116.880 116.880 116.974 -0.094 25850 9676 1 18 . 1 1 33 33 ASN HA H 33 4.068 4.068 4.203 -0.135 25850 9677 1 18 . 1 1 33 33 ASN C C 33 178.353 178.353 177.611 0.742 25850 9678 1 18 . 1 1 33 33 ASN CA C 33 55.858 55.858 56.323 -0.465 25850 9679 1 18 . 1 1 33 33 ASN CB C 33 35.968 35.968 37.979 -2.011 25850 9680 1 18 . 1 1 33 33 ASN H H 33 8.213 8.213 7.958 0.255 25850 9681 1 18 . 1 1 34 34 ILE N N 34 121.401 121.401 120.551 0.850 25850 9682 1 18 . 1 1 34 34 ILE HA H 34 3.300 3.300 3.772 -0.472 25850 9683 1 18 . 1 1 34 34 ILE C C 34 177.867 177.867 177.555 0.312 25850 9684 1 18 . 1 1 34 34 ILE CA C 34 66.528 66.528 65.320 1.208 25850 9685 1 18 . 1 1 34 34 ILE CB C 34 37.839 37.839 37.230 0.610 25850 9686 1 18 . 1 1 34 34 ILE H H 34 8.087 8.087 8.057 0.030 25850 9687 1 18 . 1 1 35 35 GLY N N 35 107.275 107.275 108.011 -0.736 25850 9688 1 18 . 1 1 35 35 GLY C C 35 175.048 175.048 175.732 -0.684 25850 9689 1 18 . 1 1 35 35 GLY CA C 35 48.547 48.547 46.878 1.669 25850 9690 1 18 . 1 1 35 35 GLY H H 35 7.922 7.922 7.936 -0.014 25850 9691 1 18 . 1 1 36 36 LEU N N 36 120.414 120.414 121.345 -0.931 25850 9692 1 18 . 1 1 36 36 LEU HA H 36 4.048 4.048 4.067 -0.019 25850 9693 1 18 . 1 1 36 36 LEU C C 36 180.804 180.804 179.026 1.778 25850 9694 1 18 . 1 1 36 36 LEU CA C 36 58.063 58.063 57.367 0.696 25850 9695 1 18 . 1 1 36 36 LEU CB C 36 41.701 41.701 41.491 0.210 25850 9696 1 18 . 1 1 36 36 LEU H H 36 8.177 8.177 7.637 0.540 25850 9697 1 18 . 1 1 37 37 GLU N N 37 120.083 120.083 119.205 0.878 25850 9698 1 18 . 1 1 37 37 GLU HA H 37 4.075 4.075 4.111 -0.036 25850 9699 1 18 . 1 1 37 37 GLU C C 37 179.517 179.517 179.283 0.234 25850 9700 1 18 . 1 1 37 37 GLU CA C 37 58.603 58.603 58.842 -0.239 25850 9701 1 18 . 1 1 37 37 GLU CB C 37 29.799 29.799 28.869 0.930 25850 9702 1 18 . 1 1 37 37 GLU H H 37 7.750 7.750 7.718 0.032 25850 9703 1 18 . 1 1 38 38 LYS N N 38 118.263 118.263 118.592 -0.329 25850 9704 1 18 . 1 1 38 38 LYS HA H 38 3.862 3.862 3.959 -0.097 25850 9705 1 18 . 1 1 38 38 LYS C C 38 179.253 179.253 178.558 0.695 25850 9706 1 18 . 1 1 38 38 LYS CA C 38 57.937 57.937 58.679 -0.742 25850 9707 1 18 . 1 1 38 38 LYS CB C 38 30.769 30.769 31.817 -1.048 25850 9708 1 18 . 1 1 38 38 LYS H H 38 8.550 8.550 7.888 0.662 25850 9709 1 18 . 1 1 39 39 ASN N N 39 118.329 118.329 117.616 0.713 25850 9710 1 18 . 1 1 39 39 ASN HA H 39 4.193 4.193 4.497 -0.304 25850 9711 1 18 . 1 1 39 39 ASN C C 39 179.428 179.428 178.112 1.316 25850 9712 1 18 . 1 1 39 39 ASN CA C 39 56.177 56.177 55.941 0.236 25850 9713 1 18 . 1 1 39 39 ASN CB C 39 38.478 38.478 38.552 -0.074 25850 9714 1 18 . 1 1 39 39 ASN H H 39 8.294 8.294 8.131 0.163 25850 9715 1 18 . 1 1 40 40 LYS N N 40 121.176 121.176 119.728 1.448 25850 9716 1 18 . 1 1 40 40 LYS HA H 40 4.047 4.047 4.160 -0.113 25850 9717 1 18 . 1 1 40 40 LYS C C 40 178.229 178.229 177.956 0.273 25850 9718 1 18 . 1 1 40 40 LYS CA C 40 59.471 59.471 58.922 0.549 25850 9719 1 18 . 1 1 40 40 LYS CB C 40 32.427 32.427 32.027 0.400 25850 9720 1 18 . 1 1 40 40 LYS H H 40 7.912 7.912 7.861 0.051 25850 9721 1 18 . 1 1 41 41 MET N N 41 114.548 114.548 117.089 -2.541 25850 9722 1 18 . 1 1 41 41 MET HA H 41 4.512 4.512 4.445 0.067 25850 9723 1 18 . 1 1 41 41 MET C C 41 175.915 175.915 176.683 -0.768 25850 9724 1 18 . 1 1 41 41 MET CA C 41 55.529 55.529 55.782 -0.253 25850 9725 1 18 . 1 1 41 41 MET CB C 41 34.022 34.022 32.741 1.281 25850 9726 1 18 . 1 1 41 41 MET H H 41 7.389 7.389 7.555 -0.166 25850 9727 1 18 . 1 1 42 42 GLY N N 42 107.409 107.409 107.163 0.246 25850 9728 1 18 . 1 1 42 42 GLY C C 42 175.041 175.041 174.777 0.264 25850 9729 1 18 . 1 1 42 42 GLY CA C 42 45.335 45.335 45.181 0.154 25850 9730 1 18 . 1 1 42 42 GLY H H 42 7.929 7.929 7.791 0.138 25850 9731 1 18 . 1 1 43 43 LYS N N 43 124.326 124.326 122.684 1.642 25850 9732 1 18 . 1 1 43 43 LYS HA H 43 4.684 4.684 4.390 0.294 25850 9733 1 18 . 1 1 43 43 LYS C C 43 176.514 176.514 176.514 0.000 25850 9734 1 18 . 1 1 43 43 LYS CA C 43 53.791 53.791 54.904 -1.113 25850 9735 1 18 . 1 1 43 43 LYS CB C 43 30.065 30.065 30.863 -0.797 25850 9736 1 18 . 1 1 43 43 LYS H H 43 8.040 8.040 8.061 -0.021 25850 9737 1 18 . 1 1 44 44 VAL N N 44 121.020 121.020 121.430 -0.410 25850 9738 1 18 . 1 1 44 44 VAL HA H 44 3.580 3.580 3.622 -0.042 25850 9739 1 18 . 1 1 44 44 VAL C C 44 177.096 177.096 177.384 -0.288 25850 9740 1 18 . 1 1 44 44 VAL CA C 44 66.166 66.166 66.467 -0.301 25850 9741 1 18 . 1 1 44 44 VAL CB C 44 31.869 31.869 31.899 -0.030 25850 9742 1 18 . 1 1 44 44 VAL H H 44 7.439 7.439 7.808 -0.369 25850 9743 1 18 . 1 1 45 45 LYS N N 45 119.164 119.164 119.453 -0.289 25850 9744 1 18 . 1 1 45 45 LYS HA H 45 3.950 3.950 3.925 0.025 25850 9745 1 18 . 1 1 45 45 LYS C C 45 179.726 179.726 178.857 0.869 25850 9746 1 18 . 1 1 45 45 LYS CA C 45 60.153 60.153 59.751 0.402 25850 9747 1 18 . 1 1 45 45 LYS CB C 45 31.446 31.446 31.374 0.072 25850 9748 1 18 . 1 1 45 45 LYS H H 45 8.427 8.427 8.740 -0.313 25850 9749 1 18 . 1 1 46 46 GLU N N 46 118.446 118.446 119.039 -0.593 25850 9750 1 18 . 1 1 46 46 GLU HA H 46 4.092 4.092 4.328 -0.236 25850 9751 1 18 . 1 1 46 46 GLU C C 46 178.490 178.490 178.725 -0.235 25850 9752 1 18 . 1 1 46 46 GLU CA C 46 59.327 59.327 59.098 0.229 25850 9753 1 18 . 1 1 46 46 GLU CB C 46 29.764 29.764 29.597 0.167 25850 9754 1 18 . 1 1 46 46 GLU H H 46 7.867 7.867 7.822 0.045 25850 9755 1 18 . 1 1 47 47 ALA N N 47 122.279 122.279 123.307 -1.028 25850 9756 1 18 . 1 1 47 47 ALA HA H 47 3.513 3.513 3.647 -0.134 25850 9757 1 18 . 1 1 47 47 ALA C C 47 178.065 178.065 178.941 -0.876 25850 9758 1 18 . 1 1 47 47 ALA CA C 47 55.905 55.905 54.999 0.906 25850 9759 1 18 . 1 1 47 47 ALA CB C 47 18.256 18.256 18.138 0.118 25850 9760 1 18 . 1 1 47 47 ALA H H 47 8.315 8.315 7.733 0.582 25850 9761 1 18 . 1 1 48 48 ILE N N 48 115.863 115.863 118.244 -2.381 25850 9762 1 18 . 1 1 48 48 ILE HA H 48 3.401 3.401 3.416 -0.015 25850 9763 1 18 . 1 1 48 48 ILE C C 48 176.808 176.808 177.980 -1.172 25850 9764 1 18 . 1 1 48 48 ILE CA C 48 66.282 66.282 65.597 0.685 25850 9765 1 18 . 1 1 48 48 ILE CB C 48 38.375 38.375 37.642 0.733 25850 9766 1 18 . 1 1 48 48 ILE H H 48 8.077 8.077 7.965 0.112 25850 9767 1 18 . 1 1 49 49 GLU N N 49 116.853 116.853 119.300 -2.447 25850 9768 1 18 . 1 1 49 49 GLU HA H 49 3.920 3.920 3.802 0.118 25850 9769 1 18 . 1 1 49 49 GLU C C 49 179.914 179.914 179.111 0.803 25850 9770 1 18 . 1 1 49 49 GLU CA C 49 59.535 59.535 59.812 -0.277 25850 9771 1 18 . 1 1 49 49 GLU CB C 49 28.995 28.995 29.289 -0.294 25850 9772 1 18 . 1 1 49 49 GLU H H 49 7.175 7.175 7.584 -0.409 25850 9773 1 18 . 1 1 50 50 TYR N N 50 117.578 117.578 118.797 -1.219 25850 9774 1 18 . 1 1 50 50 TYR HA H 50 3.774 3.774 4.152 -0.378 25850 9775 1 18 . 1 1 50 50 TYR C C 50 178.462 178.462 178.373 0.089 25850 9776 1 18 . 1 1 50 50 TYR CA C 50 64.368 64.368 61.483 2.885 25850 9777 1 18 . 1 1 50 50 TYR CB C 50 37.345 37.345 38.145 -0.800 25850 9778 1 18 . 1 1 50 50 TYR H H 50 7.676 7.676 7.784 -0.108 25850 9779 1 18 . 1 1 51 51 PHE N N 51 119.480 119.480 117.825 1.655 25850 9780 1 18 . 1 1 51 51 PHE HA H 51 4.711 4.711 4.499 0.212 25850 9781 1 18 . 1 1 51 51 PHE C C 51 178.720 178.720 178.080 0.640 25850 9782 1 18 . 1 1 51 51 PHE CA C 51 58.958 58.958 59.584 -0.626 25850 9783 1 18 . 1 1 51 51 PHE CB C 51 37.771 37.771 37.987 -0.216 25850 9784 1 18 . 1 1 51 51 PHE H H 51 9.013 9.013 8.131 0.882 25850 9785 1 18 . 1 1 52 52 LEU N N 52 120.365 120.365 121.210 -0.845 25850 9786 1 18 . 1 1 52 52 LEU HA H 52 4.093 4.093 3.930 0.163 25850 9787 1 18 . 1 1 52 52 LEU C C 52 180.229 180.229 179.038 1.191 25850 9788 1 18 . 1 1 52 52 LEU CA C 52 58.252 58.252 58.533 -0.281 25850 9789 1 18 . 1 1 52 52 LEU CB C 52 42.160 42.160 41.502 0.658 25850 9790 1 18 . 1 1 52 52 LEU H H 52 8.906 8.906 8.507 0.399 25850 9791 1 18 . 1 1 53 53 ARG N N 53 119.294 119.294 118.773 0.521 25850 9792 1 18 . 1 1 53 53 ARG HA H 53 3.929 3.929 3.979 -0.050 25850 9793 1 18 . 1 1 53 53 ARG C C 53 179.087 179.087 178.546 0.541 25850 9794 1 18 . 1 1 53 53 ARG CA C 53 59.580 59.580 59.685 -0.105 25850 9795 1 18 . 1 1 53 53 ARG CB C 53 31.418 31.418 29.889 1.529 25850 9796 1 18 . 1 1 53 53 ARG H H 53 7.846 7.846 8.346 -0.500 25850 9797 1 18 . 1 1 54 54 ALA N N 54 121.351 121.351 122.111 -0.760 25850 9798 1 18 . 1 1 54 54 ALA HA H 54 3.693 3.693 3.878 -0.185 25850 9799 1 18 . 1 1 54 54 ALA C C 54 177.631 177.631 179.005 -1.374 25850 9800 1 18 . 1 1 54 54 ALA CA C 54 55.115 55.115 55.407 -0.292 25850 9801 1 18 . 1 1 54 54 ALA CB C 54 17.612 17.612 18.433 -0.821 25850 9802 1 18 . 1 1 54 54 ALA H H 54 8.892 8.892 8.278 0.614 25850 9803 1 18 . 1 1 55 55 LYS N N 55 117.135 117.135 118.759 -1.624 25850 9804 1 18 . 1 1 55 55 LYS HA H 55 3.835 3.835 4.289 -0.454 25850 9805 1 18 . 1 1 55 55 LYS C C 55 176.970 176.970 178.550 -1.580 25850 9806 1 18 . 1 1 55 55 LYS CA C 55 60.725 60.725 59.518 1.207 25850 9807 1 18 . 1 1 55 55 LYS CB C 55 32.602 32.602 32.448 0.154 25850 9808 1 18 . 1 1 55 55 LYS H H 55 8.626 8.626 8.017 0.609 25850 9809 1 18 . 1 1 56 56 LYS N N 56 116.695 116.695 119.981 -3.286 25850 9810 1 18 . 1 1 56 56 LYS HA H 56 4.171 4.171 4.224 -0.053 25850 9811 1 18 . 1 1 56 56 LYS C C 56 180.037 180.037 179.152 0.885 25850 9812 1 18 . 1 1 56 56 LYS CA C 56 59.606 59.606 59.385 0.221 25850 9813 1 18 . 1 1 56 56 LYS CB C 56 32.349 32.349 32.335 0.014 25850 9814 1 18 . 1 1 56 56 LYS H H 56 7.652 7.652 8.006 -0.354 25850 9815 1 18 . 1 1 57 57 VAL N N 57 120.809 120.809 118.632 2.177 25850 9816 1 18 . 1 1 57 57 VAL HA H 57 3.753 3.753 3.744 0.009 25850 9817 1 18 . 1 1 57 57 VAL C C 57 178.174 178.174 178.197 -0.023 25850 9818 1 18 . 1 1 57 57 VAL CA C 57 66.226 66.226 65.805 0.421 25850 9819 1 18 . 1 1 57 57 VAL CB C 57 31.424 31.424 31.000 0.424 25850 9820 1 18 . 1 1 57 57 VAL H H 57 7.583 7.583 7.819 -0.236 25850 9821 1 18 . 1 1 58 58 PHE N N 58 118.864 118.864 119.454 -0.590 25850 9822 1 18 . 1 1 58 58 PHE HA H 58 4.521 4.521 4.188 0.333 25850 9823 1 18 . 1 1 58 58 PHE C C 58 179.187 179.187 177.754 1.433 25850 9824 1 18 . 1 1 58 58 PHE CA C 58 59.849 59.849 61.366 -1.517 25850 9825 1 18 . 1 1 58 58 PHE CB C 58 37.753 37.753 37.740 0.013 25850 9826 1 18 . 1 1 58 58 PHE H H 58 8.871 8.871 8.043 0.828 25850 9827 1 18 . 1 1 59 59 ASP N N 59 119.714 119.714 119.579 0.135 25850 9828 1 18 . 1 1 59 59 ASP HA H 59 4.444 4.444 4.426 0.018 25850 9829 1 18 . 1 1 59 59 ASP C C 59 180.066 180.066 178.364 1.702 25850 9830 1 18 . 1 1 59 59 ASP CA C 59 57.201 57.201 57.350 -0.149 25850 9831 1 18 . 1 1 59 59 ASP CB C 59 39.713 39.713 40.324 -0.611 25850 9832 1 18 . 1 1 59 59 ASP H H 59 9.157 9.157 8.461 0.696 25850 9833 1 18 . 1 1 60 60 ALA N N 60 124.290 124.290 120.960 3.330 25850 9834 1 18 . 1 1 60 60 ALA HA H 60 4.087 4.087 4.150 -0.063 25850 9835 1 18 . 1 1 60 60 ALA C C 60 179.389 179.389 178.663 0.726 25850 9836 1 18 . 1 1 60 60 ALA CA C 60 54.760 54.760 54.094 0.666 25850 9837 1 18 . 1 1 60 60 ALA CB C 60 18.025 18.025 18.691 -0.666 25850 9838 1 18 . 1 1 60 60 ALA H H 60 7.742 7.742 7.381 0.361 25850 9839 1 18 . 1 1 61 61 GLU N N 61 114.493 114.493 115.103 -0.610 25850 9840 1 18 . 1 1 61 61 GLU HA H 61 4.259 4.259 4.344 -0.085 25850 9841 1 18 . 1 1 61 61 GLU C C 61 175.970 175.970 176.755 -0.785 25850 9842 1 18 . 1 1 61 61 GLU CA C 61 55.049 55.049 56.353 -1.304 25850 9843 1 18 . 1 1 61 61 GLU CB C 61 29.724 29.724 29.904 -0.179 25850 9844 1 18 . 1 1 61 61 GLU H H 61 7.908 7.908 7.742 0.167 25850 9845 1 18 . 1 1 62 62 HIS N N 62 115.130 115.130 113.649 1.481 25850 9846 1 18 . 1 1 62 62 HIS HA H 62 4.264 4.264 4.241 0.023 25850 9847 1 18 . 1 1 62 62 HIS C C 62 173.916 173.916 174.022 -0.106 25850 9848 1 18 . 1 1 62 62 HIS CA C 62 56.531 56.531 57.078 -0.547 25850 9849 1 18 . 1 1 62 62 HIS CB C 62 26.039 26.039 27.531 -1.492 25850 9850 1 18 . 1 1 62 62 HIS H H 62 7.830 7.830 7.585 0.245 25850 9851 1 18 . 1 1 63 63 ASP N N 63 118.507 118.507 120.177 -1.670 25850 9852 1 18 . 1 1 63 63 ASP HA H 63 4.854 4.854 4.853 0.001 25850 9853 1 18 . 1 1 63 63 ASP C C 63 176.143 176.143 176.229 -0.086 25850 9854 1 18 . 1 1 63 63 ASP CA C 63 52.127 52.127 53.574 -1.447 25850 9855 1 18 . 1 1 63 63 ASP CB C 63 40.068 40.068 41.113 -1.045 25850 9856 1 18 . 1 1 63 63 ASP H H 63 8.521 8.521 8.197 0.324 25850 9857 1 18 . 1 1 64 64 THR N N 64 119.037 119.037 120.284 -1.247 25850 9858 1 18 . 1 1 64 64 THR HA H 64 3.869 3.869 3.936 -0.067 25850 9859 1 18 . 1 1 64 64 THR C C 64 176.814 176.814 175.559 1.255 25850 9860 1 18 . 1 1 64 64 THR CA C 64 65.198 65.198 65.914 -0.716 25850 9861 1 18 . 1 1 64 64 THR CB C 64 68.315 68.315 68.984 -0.669 25850 9862 1 18 . 1 1 64 64 THR H H 64 7.907 7.907 8.233 -0.326 25850 9863 1 18 . 1 1 65 65 ASP N N 65 122.892 122.892 121.287 1.605 25850 9864 1 18 . 1 1 65 65 ASP HA H 65 4.287 4.287 4.321 -0.034 25850 9865 1 18 . 1 1 65 65 ASP C C 65 178.326 178.326 178.094 0.232 25850 9866 1 18 . 1 1 65 65 ASP CA C 65 57.350 57.350 56.816 0.534 25850 9867 1 18 . 1 1 65 65 ASP CB C 65 41.121 41.121 40.380 0.741 25850 9868 1 18 . 1 1 65 65 ASP H H 65 8.375 8.375 8.092 0.283 25850 9869 1 18 . 1 1 66 66 GLY N N 66 109.334 109.334 106.728 2.606 25850 9870 1 18 . 1 1 66 66 GLY C C 66 175.861 175.861 175.432 0.429 25850 9871 1 18 . 1 1 66 66 GLY CA C 66 46.136 46.136 46.164 -0.028 25850 9872 1 18 . 1 1 66 66 GLY H H 66 8.234 8.234 8.195 0.039 25850 9873 1 18 . 1 1 67 67 ALA N N 67 122.888 122.888 124.979 -2.091 25850 9874 1 18 . 1 1 67 67 ALA HA H 67 3.892 3.892 4.010 -0.118 25850 9875 1 18 . 1 1 67 67 ALA C C 67 179.384 179.384 179.463 -0.079 25850 9876 1 18 . 1 1 67 67 ALA CA C 67 55.960 55.960 54.710 1.250 25850 9877 1 18 . 1 1 67 67 ALA CB C 67 18.611 18.611 18.543 0.068 25850 9878 1 18 . 1 1 67 67 ALA H H 67 7.949 7.949 7.665 0.284 25850 9879 1 18 . 1 1 68 68 ARG N N 68 118.221 118.221 117.843 0.378 25850 9880 1 18 . 1 1 68 68 ARG HA H 68 3.993 3.993 3.996 -0.003 25850 9881 1 18 . 1 1 68 68 ARG C C 68 179.355 179.355 178.662 0.693 25850 9882 1 18 . 1 1 68 68 ARG CA C 68 59.234 59.234 59.236 -0.001 25850 9883 1 18 . 1 1 68 68 ARG CB C 68 29.799 29.799 30.102 -0.303 25850 9884 1 18 . 1 1 68 68 ARG H H 68 7.917 7.917 8.059 -0.142 25850 9885 1 18 . 1 1 69 69 ARG N N 69 120.551 120.551 120.193 0.358 25850 9886 1 18 . 1 1 69 69 ARG HA H 69 3.923 3.923 3.975 -0.052 25850 9887 1 18 . 1 1 69 69 ARG C C 69 179.120 179.120 178.234 0.886 25850 9888 1 18 . 1 1 69 69 ARG CA C 69 59.310 59.310 59.217 0.093 25850 9889 1 18 . 1 1 69 69 ARG CB C 69 29.189 29.189 29.864 -0.675 25850 9890 1 18 . 1 1 69 69 ARG H H 69 7.749 7.749 8.018 -0.269 25850 9891 1 18 . 1 1 70 70 ALA N N 70 121.098 121.098 120.875 0.223 25850 9892 1 18 . 1 1 70 70 ALA HA H 70 4.016 4.016 4.358 -0.342 25850 9893 1 18 . 1 1 70 70 ALA C C 70 178.438 178.438 179.293 -0.855 25850 9894 1 18 . 1 1 70 70 ALA CA C 70 55.536 55.536 54.558 0.978 25850 9895 1 18 . 1 1 70 70 ALA CB C 70 17.216 17.216 18.358 -1.142 25850 9896 1 18 . 1 1 70 70 ALA H H 70 8.245 8.245 7.832 0.413 25850 9897 1 18 . 1 1 71 71 ALA N N 71 119.333 119.333 121.548 -2.215 25850 9898 1 18 . 1 1 71 71 ALA HA H 71 4.047 4.047 4.166 -0.119 25850 9899 1 18 . 1 1 71 71 ALA C C 71 180.219 180.219 179.329 0.890 25850 9900 1 18 . 1 1 71 71 ALA CA C 71 55.083 55.083 55.068 0.015 25850 9901 1 18 . 1 1 71 71 ALA CB C 71 18.198 18.198 18.360 -0.162 25850 9902 1 18 . 1 1 71 71 ALA H H 71 8.565 8.565 8.021 0.544 25850 9903 1 18 . 1 1 72 72 LYS N N 72 121.188 121.188 119.338 1.850 25850 9904 1 18 . 1 1 72 72 LYS HA H 72 4.107 4.107 4.109 -0.002 25850 9905 1 18 . 1 1 72 72 LYS C C 72 179.155 179.155 178.610 0.545 25850 9906 1 18 . 1 1 72 72 LYS CA C 72 59.271 59.271 59.177 0.094 25850 9907 1 18 . 1 1 72 72 LYS CB C 72 31.786 31.786 32.483 -0.697 25850 9908 1 18 . 1 1 72 72 LYS H H 72 8.108 8.108 8.234 -0.126 25850 9909 1 18 . 1 1 73 73 SER N N 73 116.976 116.976 115.645 1.331 25850 9910 1 18 . 1 1 73 73 SER HA H 73 3.957 3.957 4.067 -0.110 25850 9911 1 18 . 1 1 73 73 SER C C 73 176.394 176.394 176.400 -0.006 25850 9912 1 18 . 1 1 73 73 SER CA C 73 62.753 62.753 61.393 1.360 25850 9913 1 18 . 1 1 73 73 SER CB C 73 60.718 60.718 62.560 -1.842 25850 9914 1 18 . 1 1 73 73 SER H H 73 8.057 8.057 7.601 0.456 25850 9915 1 18 . 1 1 74 74 LEU N N 74 123.741 123.741 121.584 2.157 25850 9916 1 18 . 1 1 74 74 LEU HA H 74 3.831 3.831 3.918 -0.087 25850 9917 1 18 . 1 1 74 74 LEU C C 74 176.704 176.704 178.467 -1.763 25850 9918 1 18 . 1 1 74 74 LEU CA C 74 58.545 58.545 58.013 0.532 25850 9919 1 18 . 1 1 74 74 LEU CB C 74 41.862 41.862 41.877 -0.015 25850 9920 1 18 . 1 1 74 74 LEU H H 74 8.341 8.341 7.949 0.392 25850 9921 1 18 . 1 1 75 75 SER N N 75 113.508 113.508 115.065 -1.557 25850 9922 1 18 . 1 1 75 75 SER HA H 75 4.277 4.277 4.307 -0.030 25850 9923 1 18 . 1 1 75 75 SER C C 75 177.668 177.668 176.812 0.856 25850 9924 1 18 . 1 1 75 75 SER CA C 75 61.926 61.926 62.198 -0.272 25850 9925 1 18 . 1 1 75 75 SER CB C 75 62.702 62.702 62.666 0.036 25850 9926 1 18 . 1 1 75 75 SER H H 75 8.055 8.055 7.994 0.061 25850 9927 1 18 . 1 1 76 76 GLU N N 76 119.999 119.999 120.607 -0.608 25850 9928 1 18 . 1 1 76 76 GLU HA H 76 4.041 4.041 4.118 -0.077 25850 9929 1 18 . 1 1 76 76 GLU C C 76 178.836 178.836 178.793 0.043 25850 9930 1 18 . 1 1 76 76 GLU CA C 76 58.928 58.928 58.734 0.194 25850 9931 1 18 . 1 1 76 76 GLU CB C 76 29.684 29.684 29.123 0.561 25850 9932 1 18 . 1 1 76 76 GLU H H 76 7.874 7.874 7.703 0.171 25850 9933 1 18 . 1 1 77 77 ALA N N 77 123.551 123.551 122.008 1.543 25850 9934 1 18 . 1 1 77 77 ALA HA H 77 4.242 4.242 4.190 0.052 25850 9935 1 18 . 1 1 77 77 ALA C C 77 180.005 180.005 179.891 0.114 25850 9936 1 18 . 1 1 77 77 ALA CA C 77 55.031 55.031 54.659 0.372 25850 9937 1 18 . 1 1 77 77 ALA CB C 77 18.237 18.237 18.469 -0.232 25850 9938 1 18 . 1 1 77 77 ALA H H 77 8.043 8.043 7.681 0.362 25850 9939 1 18 . 1 1 78 78 TYR N N 78 116.371 116.371 117.273 -0.902 25850 9940 1 18 . 1 1 78 78 TYR HA H 78 4.418 4.418 4.296 0.122 25850 9941 1 18 . 1 1 78 78 TYR C C 78 178.901 178.901 178.568 0.333 25850 9942 1 18 . 1 1 78 78 TYR CA C 78 60.302 60.302 60.099 0.203 25850 9943 1 18 . 1 1 78 78 TYR CB C 78 37.416 37.416 37.685 -0.269 25850 9944 1 18 . 1 1 78 78 TYR H H 78 8.699 8.699 8.307 0.392 25850 9945 1 18 . 1 1 79 79 GLN N N 79 116.649 116.649 119.117 -2.468 25850 9946 1 18 . 1 1 79 79 GLN HA H 79 4.212 4.212 4.181 0.031 25850 9947 1 18 . 1 1 79 79 GLN C C 79 177.778 177.778 177.005 0.773 25850 9948 1 18 . 1 1 79 79 GLN CA C 79 57.922 57.922 58.469 -0.547 25850 9949 1 18 . 1 1 79 79 GLN CB C 79 28.659 28.659 28.543 0.116 25850 9950 1 18 . 1 1 79 79 GLN H H 79 7.667 7.667 7.891 -0.224 25850 9951 1 18 . 1 1 80 80 LYS N N 80 118.855 118.855 117.754 1.101 25850 9952 1 18 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.206 0.087 25850 9953 1 18 . 1 1 80 80 LYS C C 80 178.038 178.038 177.263 0.775 25850 9954 1 18 . 1 1 80 80 LYS CA C 80 57.474 57.474 58.593 -1.119 25850 9955 1 18 . 1 1 80 80 LYS CB C 80 32.816 32.816 32.814 0.002 25850 9956 1 18 . 1 1 80 80 LYS H H 80 7.766 7.766 7.591 0.175 25850 9957 1 18 . 1 1 81 81 VAL N N 81 117.863 117.863 117.240 0.623 25850 9958 1 18 . 1 1 81 81 VAL HA H 81 4.076 4.076 4.033 0.043 25850 9959 1 18 . 1 1 81 81 VAL C C 81 176.805 176.805 176.920 -0.115 25850 9960 1 18 . 1 1 81 81 VAL CA C 81 63.409 63.409 63.730 -0.321 25850 9961 1 18 . 1 1 81 81 VAL CB C 81 32.423 32.423 32.929 -0.506 25850 9962 1 18 . 1 1 81 81 VAL H H 81 7.821 7.821 7.558 0.263 25850 9963 1 18 . 1 1 82 82 GLU N N 82 122.552 122.552 116.984 5.568 25850 9964 1 18 . 1 1 82 82 GLU HA H 82 4.277 4.277 4.087 0.190 25850 9965 1 18 . 1 1 82 82 GLU C C 82 177.559 177.559 177.527 0.032 25850 9966 1 18 . 1 1 82 82 GLU CA C 82 57.300 57.300 58.282 -0.982 25850 9967 1 18 . 1 1 82 82 GLU CB C 82 29.927 29.927 27.717 2.210 25850 9968 1 18 . 1 1 82 82 GLU H H 82 8.329 8.329 8.429 -0.100 25850 9969 1 18 . 1 1 83 83 GLY N N 83 109.040 109.040 110.715 -1.675 25850 9970 1 18 . 1 1 83 83 GLY C C 83 174.590 174.590 174.487 0.103 25850 9971 1 18 . 1 1 83 83 GLY CA C 83 45.530 45.530 46.187 -0.657 25850 9972 1 18 . 1 1 83 83 GLY H H 83 8.309 8.309 8.108 0.201 25850 9973 1 18 . 1 1 84 84 SER N N 84 115.258 115.258 116.955 -1.697 25850 9974 1 18 . 1 1 84 84 SER HA H 84 4.495 4.495 4.512 -0.017 25850 9975 1 18 . 1 1 84 84 SER C C 84 175.217 175.217 174.192 1.025 25850 9976 1 18 . 1 1 84 84 SER CA C 84 58.580 58.580 58.138 0.442 25850 9977 1 18 . 1 1 84 84 SER CB C 84 63.827 63.827 64.378 -0.551 25850 9978 1 18 . 1 1 84 84 SER H H 84 8.180 8.180 8.137 0.043 25850 9979 1 18 . 1 1 85 85 GLY N N 85 110.681 110.681 110.497 0.184 25850 9980 1 18 . 1 1 85 85 GLY C C 85 174.063 174.063 173.129 0.934 25850 9981 1 18 . 1 1 85 85 GLY CA C 85 45.395 45.395 44.438 0.957 25850 9982 1 18 . 1 1 85 85 GLY H H 85 8.472 8.472 7.912 0.560 25850 9983 1 18 . 1 1 86 86 ASP N N 86 120.537 120.537 122.925 -2.388 25850 9984 1 18 . 1 1 86 86 ASP HA H 86 4.597 4.597 4.511 0.086 25850 9985 1 18 . 1 1 86 86 ASP C C 86 176.761 176.761 176.130 0.631 25850 9986 1 18 . 1 1 86 86 ASP CA C 86 54.451 54.451 54.560 -0.109 25850 9987 1 18 . 1 1 86 86 ASP CB C 86 41.069 41.069 41.149 -0.080 25850 9988 1 18 . 1 1 86 86 ASP H H 86 8.272 8.272 8.446 -0.174 25850 9989 1 18 . 1 1 87 87 LYS N N 87 121.608 121.608 126.087 -4.479 25850 9990 1 18 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.487 -0.241 25850 9991 1 18 . 1 1 87 87 LYS C C 87 177.342 177.342 175.765 1.577 25850 9992 1 18 . 1 1 87 87 LYS CA C 87 56.545 56.545 55.894 0.651 25850 9993 1 18 . 1 1 87 87 LYS CB C 87 32.302 32.302 33.691 -1.389 25850 9994 1 18 . 1 1 87 87 LYS H H 87 8.344 8.344 8.476 -0.132 25850 9995 1 18 . 1 1 88 88 GLY N N 88 108.711 108.711 110.401 -1.690 25850 9996 1 18 . 1 1 88 88 GLY C C 88 174.216 174.216 173.881 0.335 25850 9997 1 18 . 1 1 88 88 GLY CA C 88 45.339 45.339 44.896 0.443 25850 9998 1 18 . 1 1 88 88 GLY H H 88 8.449 8.449 8.317 0.132 25850 9999 1 18 . 1 1 89 89 LYS N N 89 120.508 120.508 125.428 -4.920 25850 10000 1 18 . 1 1 89 89 LYS HA H 89 4.266 4.266 4.316 -0.050 25850 10001 1 18 . 1 1 89 89 LYS C C 89 176.464 176.464 177.347 -0.883 25850 10002 1 18 . 1 1 89 89 LYS CA C 89 56.214 56.214 56.262 -0.048 25850 10003 1 18 . 1 1 89 89 LYS CB C 89 32.824 32.824 32.106 0.718 25850 10004 1 18 . 1 1 89 89 LYS H H 89 7.958 7.958 8.612 -0.654 25850 10005 1 18 . 1 1 90 90 ILE N N 90 121.127 121.127 121.917 -0.790 25850 10006 1 18 . 1 1 90 90 ILE HA H 90 4.091 4.091 4.296 -0.205 25850 10007 1 18 . 1 1 90 90 ILE C C 90 175.896 175.896 175.170 0.726 25850 10008 1 18 . 1 1 90 90 ILE CA C 90 61.022 61.022 60.285 0.737 25850 10009 1 18 . 1 1 90 90 ILE CB C 90 38.488 38.488 36.634 1.854 25850 10010 1 18 . 1 1 90 90 ILE H H 90 8.005 8.005 8.182 -0.177 25850 10011 1 18 . 1 1 91 91 PHE N N 91 123.843 123.843 125.986 -2.143 25850 10012 1 18 . 1 1 91 91 PHE HA H 91 4.615 4.615 4.395 0.220 25850 10013 1 18 . 1 1 91 91 PHE C C 91 175.327 175.327 176.079 -0.752 25850 10014 1 18 . 1 1 91 91 PHE CA C 91 57.565 57.565 58.523 -0.958 25850 10015 1 18 . 1 1 91 91 PHE CB C 91 39.457 39.457 39.921 -0.464 25850 10016 1 18 . 1 1 91 91 PHE H H 91 8.283 8.283 7.743 0.540 25850 10017 1 18 . 1 1 92 92 GLN N N 92 122.349 122.349 127.155 -4.806 25850 10018 1 18 . 1 1 92 92 GLN HA H 92 4.296 4.296 4.049 0.247 25850 10019 1 18 . 1 1 92 92 GLN C C 92 175.338 175.338 175.002 0.336 25850 10020 1 18 . 1 1 92 92 GLN CA C 92 55.492 55.492 55.010 0.482 25850 10021 1 18 . 1 1 92 92 GLN CB C 92 29.708 29.708 27.694 2.014 25850 10022 1 18 . 1 1 92 92 GLN H H 92 8.212 8.212 8.084 0.128 25850 10023 1 18 . 1 1 93 93 LYS N N 93 123.137 123.137 123.151 -0.014 25850 10024 1 18 . 1 1 93 93 LYS HA H 93 4.250 4.250 4.320 -0.070 25850 10025 1 18 . 1 1 93 93 LYS C C 93 176.492 176.492 176.105 0.387 25850 10026 1 18 . 1 1 93 93 LYS CA C 93 56.272 56.272 56.624 -0.352 25850 10027 1 18 . 1 1 93 93 LYS CB C 93 33.055 33.055 33.016 0.039 25850 10028 1 18 . 1 1 93 93 LYS H H 93 8.364 8.364 8.380 -0.016 25850 10029 1 18 . 1 1 94 94 GLU N N 94 122.671 122.671 123.418 -0.747 25850 10030 1 18 . 1 1 94 94 GLU HA H 94 4.246 4.246 4.375 -0.129 25850 10031 1 18 . 1 1 94 94 GLU C C 94 177.008 177.008 175.930 1.078 25850 10032 1 18 . 1 1 94 94 GLU CA C 94 56.848 56.848 55.968 0.880 25850 10033 1 18 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.719 -0.665 25850 10034 1 18 . 1 1 94 94 GLU H H 94 8.571 8.571 8.572 -0.001 25850 10035 1 18 . 1 1 95 95 GLY N N 95 110.337 110.337 111.577 -1.240 25850 10036 1 18 . 1 1 95 95 GLY C C 95 174.070 174.070 173.731 0.339 25850 10037 1 18 . 1 1 95 95 GLY CA C 95 45.191 45.191 44.837 0.354 25850 10038 1 18 . 1 1 95 95 GLY H H 95 8.490 8.490 8.444 0.046 25850 10039 1 18 . 1 1 96 96 GLU N N 96 120.183 120.183 121.184 -1.001 25850 10040 1 18 . 1 1 96 96 GLU HA H 96 4.339 4.339 4.411 -0.072 25850 10041 1 18 . 1 1 96 96 GLU C C 96 176.463 176.463 175.480 0.983 25850 10042 1 18 . 1 1 96 96 GLU CA C 96 56.204 56.204 56.765 -0.561 25850 10043 1 18 . 1 1 96 96 GLU CB C 96 30.433 30.433 28.877 1.556 25850 10044 1 18 . 1 1 96 96 GLU H H 96 8.142 8.142 8.501 -0.359 25850 10045 1 18 . 1 1 97 97 SER N N 97 116.979 116.979 119.238 -2.259 25850 10046 1 18 . 1 1 97 97 SER HA H 97 4.472 4.472 4.547 -0.075 25850 10047 1 18 . 1 1 97 97 SER C C 97 174.162 174.162 173.757 0.405 25850 10048 1 18 . 1 1 97 97 SER CA C 97 58.070 58.070 57.898 0.172 25850 10049 1 18 . 1 1 97 97 SER CB C 97 63.710 63.710 63.506 0.204 25850 10050 1 18 . 1 1 97 97 SER H H 97 8.381 8.381 8.133 0.248 25850 10051 1 18 . 1 1 98 98 ILE N N 98 122.626 122.626 126.844 -4.218 25850 10052 1 18 . 1 1 98 98 ILE HA H 98 4.201 4.201 4.123 0.078 25850 10053 1 18 . 1 1 98 98 ILE C C 98 175.921 175.921 176.458 -0.537 25850 10054 1 18 . 1 1 98 98 ILE CA C 98 60.947 60.947 61.416 -0.469 25850 10055 1 18 . 1 1 98 98 ILE CB C 98 38.616 38.616 36.742 1.874 25850 10056 1 18 . 1 1 98 98 ILE H H 98 8.216 8.216 8.599 -0.383 25850 10057 1 18 . 1 1 99 99 LEU N N 99 126.765 126.765 128.389 -1.624 25850 10058 1 18 . 1 1 99 99 LEU HA H 99 4.399 4.399 4.088 0.311 25850 10059 1 18 . 1 1 99 99 LEU C C 99 176.093 176.093 175.976 0.117 25850 10060 1 18 . 1 1 99 99 LEU CA C 99 54.853 54.853 55.498 -0.645 25850 10061 1 18 . 1 1 99 99 LEU CB C 99 42.135 42.135 42.004 0.131 25850 10062 1 18 . 1 1 99 99 LEU H H 99 8.326 8.326 8.394 -0.068 25850 10063 1 19 . 1 1 2 2 GLY C C 2 173.891 173.891 174.262 -0.371 25850 10064 1 19 . 1 1 2 2 GLY CA C 2 44.831 44.831 44.735 0.096 25850 10065 1 19 . 1 1 3 3 SER N N 3 117.545 117.545 116.941 0.604 25850 10066 1 19 . 1 1 3 3 SER HA H 3 4.799 4.799 4.581 0.218 25850 10067 1 19 . 1 1 3 3 SER C C 3 173.162 173.162 174.532 -1.370 25850 10068 1 19 . 1 1 3 3 SER CA C 3 56.530 56.530 56.164 0.366 25850 10069 1 19 . 1 1 3 3 SER CB C 3 63.002 63.002 63.757 -0.755 25850 10070 1 19 . 1 1 3 3 SER H H 3 8.428 8.428 7.966 0.462 25850 10071 1 19 . 1 1 4 4 PRO HA H 4 4.644 4.644 4.461 0.183 25850 10072 1 19 . 1 1 4 4 PRO C C 4 178.093 178.093 177.697 0.396 25850 10073 1 19 . 1 1 4 4 PRO CA C 4 65.378 65.378 65.275 0.103 25850 10074 1 19 . 1 1 4 4 PRO CB C 4 31.965 31.965 31.710 0.255 25850 10075 1 19 . 1 1 5 5 ASP N N 5 115.270 115.270 116.316 -1.046 25850 10076 1 19 . 1 1 5 5 ASP HA H 5 4.353 4.353 4.292 0.061 25850 10077 1 19 . 1 1 5 5 ASP C C 5 178.915 178.915 177.915 1.000 25850 10078 1 19 . 1 1 5 5 ASP CA C 5 56.796 56.796 57.072 -0.276 25850 10079 1 19 . 1 1 5 5 ASP CB C 5 40.690 40.690 39.587 1.103 25850 10080 1 19 . 1 1 5 5 ASP H H 5 8.233 8.233 8.782 -0.549 25850 10081 1 19 . 1 1 6 6 GLU N N 6 121.390 121.390 119.876 1.514 25850 10082 1 19 . 1 1 6 6 GLU HA H 6 4.027 4.027 4.038 -0.011 25850 10083 1 19 . 1 1 6 6 GLU C C 6 178.836 178.836 178.979 -0.143 25850 10084 1 19 . 1 1 6 6 GLU CA C 6 58.594 58.594 59.158 -0.564 25850 10085 1 19 . 1 1 6 6 GLU CB C 6 29.641 29.641 29.111 0.530 25850 10086 1 19 . 1 1 6 6 GLU H H 6 7.770 7.770 8.529 -0.759 25850 10087 1 19 . 1 1 7 7 ASN N N 7 119.966 119.966 118.712 1.254 25850 10088 1 19 . 1 1 7 7 ASN HA H 7 4.155 4.155 4.143 0.012 25850 10089 1 19 . 1 1 7 7 ASN C C 7 176.723 176.723 177.449 -0.726 25850 10090 1 19 . 1 1 7 7 ASN CA C 7 55.007 55.007 55.570 -0.563 25850 10091 1 19 . 1 1 7 7 ASN CB C 7 36.627 36.627 37.959 -1.332 25850 10092 1 19 . 1 1 7 7 ASN H H 7 8.378 8.378 7.809 0.569 25850 10093 1 19 . 1 1 8 8 ILE N N 8 119.915 119.915 121.058 -1.143 25850 10094 1 19 . 1 1 8 8 ILE HA H 8 3.608 3.608 3.656 -0.048 25850 10095 1 19 . 1 1 8 8 ILE CA C 8 66.495 66.495 65.620 0.875 25850 10096 1 19 . 1 1 8 8 ILE CB C 8 37.558 37.558 37.695 -0.137 25850 10097 1 19 . 1 1 8 8 ILE H H 8 8.626 8.626 7.927 0.699 25850 10098 1 19 . 1 1 9 9 ALA N N 9 121.268 121.268 121.556 -0.288 25850 10099 1 19 . 1 1 9 9 ALA HA H 9 4.235 4.235 4.182 0.053 25850 10100 1 19 . 1 1 9 9 ALA C C 9 180.624 180.624 179.424 1.200 25850 10101 1 19 . 1 1 9 9 ALA CA C 9 54.922 54.922 54.779 0.143 25850 10102 1 19 . 1 1 9 9 ALA CB C 9 17.710 17.710 18.228 -0.518 25850 10103 1 19 . 1 1 9 9 ALA H H 9 7.597 7.597 7.971 -0.374 25850 10104 1 19 . 1 1 10 10 LYS N N 10 118.798 118.798 119.175 -0.377 25850 10105 1 19 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.966 0.045 25850 10106 1 19 . 1 1 10 10 LYS C C 10 180.034 180.034 178.920 1.114 25850 10107 1 19 . 1 1 10 10 LYS CA C 10 59.264 59.264 59.196 0.068 25850 10108 1 19 . 1 1 10 10 LYS CB C 10 31.744 31.744 32.155 -0.411 25850 10109 1 19 . 1 1 10 10 LYS H H 10 7.569 7.569 7.459 0.110 25850 10110 1 19 . 1 1 11 11 PHE N N 11 121.394 121.394 117.549 3.845 25850 10111 1 19 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.366 0.362 25850 10112 1 19 . 1 1 11 11 PHE C C 11 178.445 178.445 178.563 -0.118 25850 10113 1 19 . 1 1 11 11 PHE CA C 11 59.549 59.549 59.611 -0.062 25850 10114 1 19 . 1 1 11 11 PHE CB C 11 39.001 39.001 38.218 0.783 25850 10115 1 19 . 1 1 11 11 PHE H H 11 8.347 8.347 7.497 0.850 25850 10116 1 19 . 1 1 12 12 GLU N N 12 121.864 121.864 119.591 2.273 25850 10117 1 19 . 1 1 12 12 GLU HA H 12 4.127 4.127 4.114 0.013 25850 10118 1 19 . 1 1 12 12 GLU C C 12 179.600 179.600 178.739 0.861 25850 10119 1 19 . 1 1 12 12 GLU CA C 12 59.803 59.803 59.258 0.545 25850 10120 1 19 . 1 1 12 12 GLU CB C 12 29.488 29.488 29.234 0.254 25850 10121 1 19 . 1 1 12 12 GLU H H 12 9.184 9.184 8.471 0.713 25850 10122 1 19 . 1 1 13 13 LYS N N 13 120.472 120.472 120.692 -0.220 25850 10123 1 19 . 1 1 13 13 LYS HA H 13 4.127 4.127 4.123 0.004 25850 10124 1 19 . 1 1 13 13 LYS C C 13 179.120 179.120 178.684 0.436 25850 10125 1 19 . 1 1 13 13 LYS CA C 13 59.308 59.308 59.368 -0.060 25850 10126 1 19 . 1 1 13 13 LYS CB C 13 32.147 32.147 32.508 -0.361 25850 10127 1 19 . 1 1 13 13 LYS H H 13 7.800 7.800 7.988 -0.188 25850 10128 1 19 . 1 1 14 14 ALA N N 14 122.753 122.753 120.788 1.965 25850 10129 1 19 . 1 1 14 14 ALA HA H 14 4.205 4.205 4.178 0.027 25850 10130 1 19 . 1 1 14 14 ALA C C 14 180.640 180.640 179.726 0.914 25850 10131 1 19 . 1 1 14 14 ALA CA C 14 54.756 54.756 54.736 0.020 25850 10132 1 19 . 1 1 14 14 ALA CB C 14 17.913 17.913 18.184 -0.271 25850 10133 1 19 . 1 1 14 14 ALA H H 14 8.001 8.001 8.092 -0.091 25850 10134 1 19 . 1 1 15 15 TYR HA H 15 3.850 3.850 4.121 -0.271 25850 10135 1 19 . 1 1 15 15 TYR C C 15 175.898 175.898 177.703 -1.805 25850 10136 1 19 . 1 1 15 15 TYR CA C 15 62.008 62.008 62.146 -0.138 25850 10137 1 19 . 1 1 15 15 TYR CB C 15 37.756 37.756 38.690 -0.934 25850 10138 1 19 . 1 1 15 15 TYR H H 15 8.906 8.906 7.909 0.997 25850 10139 1 19 . 1 1 16 16 LYS N N 16 119.082 119.082 118.185 0.897 25850 10140 1 19 . 1 1 16 16 LYS HA H 16 3.985 3.985 3.929 0.056 25850 10141 1 19 . 1 1 16 16 LYS C C 16 179.068 179.068 178.775 0.293 25850 10142 1 19 . 1 1 16 16 LYS CA C 16 58.622 58.622 59.925 -1.304 25850 10143 1 19 . 1 1 16 16 LYS CB C 16 32.131 32.131 32.241 -0.110 25850 10144 1 19 . 1 1 16 16 LYS H H 16 8.059 8.059 8.149 -0.090 25850 10145 1 19 . 1 1 17 17 LYS N N 17 119.708 119.708 119.286 0.422 25850 10146 1 19 . 1 1 17 17 LYS HA H 17 4.142 4.142 4.234 -0.092 25850 10147 1 19 . 1 1 17 17 LYS CA C 17 57.951 57.951 59.200 -1.249 25850 10148 1 19 . 1 1 17 17 LYS CB C 17 31.802 31.802 32.510 -0.707 25850 10149 1 19 . 1 1 17 17 LYS H H 17 7.900 7.900 7.867 0.033 25850 10150 1 19 . 1 1 18 18 ALA N N 18 120.860 120.860 121.368 -0.508 25850 10151 1 19 . 1 1 18 18 ALA HA H 18 4.329 4.329 4.028 0.301 25850 10152 1 19 . 1 1 18 18 ALA C C 18 179.572 179.572 179.109 0.463 25850 10153 1 19 . 1 1 18 18 ALA CA C 18 54.110 54.110 54.962 -0.852 25850 10154 1 19 . 1 1 18 18 ALA CB C 18 18.782 18.782 17.938 0.844 25850 10155 1 19 . 1 1 18 18 ALA H H 18 7.854 7.854 7.725 0.129 25850 10156 1 19 . 1 1 19 19 GLU N N 19 120.904 120.904 119.088 1.816 25850 10157 1 19 . 1 1 19 19 GLU HA H 19 4.240 4.240 3.850 0.390 25850 10158 1 19 . 1 1 19 19 GLU C C 19 180.268 180.268 178.667 1.601 25850 10159 1 19 . 1 1 19 19 GLU CA C 19 59.147 59.147 59.037 0.110 25850 10160 1 19 . 1 1 19 19 GLU CB C 19 29.889 29.889 29.759 0.130 25850 10161 1 19 . 1 1 19 19 GLU H H 19 8.690 8.690 7.891 0.799 25850 10162 1 19 . 1 1 20 20 GLU N N 20 120.868 120.868 117.832 3.036 25850 10163 1 19 . 1 1 20 20 GLU HA H 20 4.024 4.024 4.131 -0.107 25850 10164 1 19 . 1 1 20 20 GLU C C 20 177.975 177.975 178.403 -0.428 25850 10165 1 19 . 1 1 20 20 GLU CA C 20 58.935 58.935 58.396 0.539 25850 10166 1 19 . 1 1 20 20 GLU CB C 20 29.549 29.549 29.237 0.312 25850 10167 1 19 . 1 1 20 20 GLU H H 20 7.898 7.898 7.671 0.227 25850 10168 1 19 . 1 1 21 21 LEU N N 21 116.701 116.701 118.036 -1.335 25850 10169 1 19 . 1 1 21 21 LEU HA H 21 4.351 4.351 4.221 0.130 25850 10170 1 19 . 1 1 21 21 LEU C C 21 176.199 176.199 176.627 -0.428 25850 10171 1 19 . 1 1 21 21 LEU CA C 21 54.158 54.158 55.079 -0.921 25850 10172 1 19 . 1 1 21 21 LEU CB C 21 41.776 41.776 42.177 -0.401 25850 10173 1 19 . 1 1 21 21 LEU H H 21 7.393 7.393 7.424 -0.031 25850 10174 1 19 . 1 1 22 22 ASN N N 22 118.557 118.557 113.809 4.748 25850 10175 1 19 . 1 1 22 22 ASN HA H 22 4.278 4.278 4.462 -0.184 25850 10176 1 19 . 1 1 22 22 ASN C C 22 174.436 174.436 174.409 0.027 25850 10177 1 19 . 1 1 22 22 ASN CA C 22 54.104 54.104 54.029 0.075 25850 10178 1 19 . 1 1 22 22 ASN CB C 22 37.364 37.364 37.147 0.217 25850 10179 1 19 . 1 1 22 22 ASN H H 22 7.994 7.994 7.474 0.520 25850 10180 1 19 . 1 1 23 23 GLN N N 23 118.344 118.344 118.844 -0.500 25850 10181 1 19 . 1 1 23 23 GLN HA H 23 4.557 4.557 4.555 0.002 25850 10182 1 19 . 1 1 23 23 GLN C C 23 176.685 176.685 176.354 0.331 25850 10183 1 19 . 1 1 23 23 GLN CA C 23 53.983 53.983 54.856 -0.873 25850 10184 1 19 . 1 1 23 23 GLN CB C 23 27.770 27.770 28.842 -1.072 25850 10185 1 19 . 1 1 23 23 GLN H H 23 8.378 8.378 7.598 0.780 25850 10186 1 19 . 1 1 24 24 GLY N N 24 113.071 113.071 113.864 -0.793 25850 10187 1 19 . 1 1 24 24 GLY C C 24 175.286 175.286 175.147 0.139 25850 10188 1 19 . 1 1 24 24 GLY CA C 24 47.823 47.823 47.093 0.730 25850 10189 1 19 . 1 1 24 24 GLY H H 24 8.468 8.468 8.887 -0.419 25850 10190 1 19 . 1 1 25 25 GLU N N 25 120.717 120.717 121.427 -0.710 25850 10191 1 19 . 1 1 25 25 GLU HA H 25 4.124 4.124 4.060 0.064 25850 10192 1 19 . 1 1 25 25 GLU C C 25 176.495 176.495 178.677 -2.182 25850 10193 1 19 . 1 1 25 25 GLU CA C 25 59.621 59.621 59.321 0.300 25850 10194 1 19 . 1 1 25 25 GLU CB C 25 28.636 28.636 28.739 -0.103 25850 10195 1 19 . 1 1 25 25 GLU H H 25 9.067 9.067 8.319 0.748 25850 10196 1 19 . 1 1 26 26 LEU HA H 26 4.222 4.222 4.151 0.071 25850 10197 1 19 . 1 1 26 26 LEU C C 26 180.590 180.590 179.189 1.401 25850 10198 1 19 . 1 1 26 26 LEU CA C 26 56.882 56.882 57.707 -0.825 25850 10199 1 19 . 1 1 26 26 LEU CB C 26 41.231 41.231 41.716 -0.485 25850 10200 1 19 . 1 1 26 26 LEU H H 26 7.165 7.165 7.737 -0.572 25850 10201 1 19 . 1 1 27 27 MET N N 27 121.053 121.053 117.759 3.294 25850 10202 1 19 . 1 1 27 27 MET HA H 27 3.932 3.932 4.092 -0.160 25850 10203 1 19 . 1 1 27 27 MET CA C 27 59.980 59.980 59.610 0.370 25850 10204 1 19 . 1 1 27 27 MET CB C 27 34.537 34.537 32.226 2.311 25850 10205 1 19 . 1 1 27 27 MET H H 27 8.203 8.203 7.566 0.637 25850 10206 1 19 . 1 1 28 28 GLY N N 28 106.038 106.038 106.650 -0.612 25850 10207 1 19 . 1 1 28 28 GLY C C 28 174.900 174.900 175.766 -0.866 25850 10208 1 19 . 1 1 28 28 GLY CA C 28 47.672 47.672 46.460 1.212 25850 10209 1 19 . 1 1 28 28 GLY H H 28 8.527 8.527 8.384 0.143 25850 10210 1 19 . 1 1 29 29 ARG N N 29 120.201 120.201 122.490 -2.289 25850 10211 1 19 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.147 0.048 25850 10212 1 19 . 1 1 29 29 ARG C C 29 178.065 178.065 178.468 -0.403 25850 10213 1 19 . 1 1 29 29 ARG CA C 29 59.974 59.974 59.468 0.506 25850 10214 1 19 . 1 1 29 29 ARG CB C 29 30.416 30.416 30.108 0.308 25850 10215 1 19 . 1 1 29 29 ARG H H 29 8.224 8.224 7.945 0.279 25850 10216 1 19 . 1 1 30 30 ALA N N 30 121.394 121.394 122.618 -1.224 25850 10217 1 19 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.088 0.109 25850 10218 1 19 . 1 1 30 30 ALA C C 30 179.433 179.433 179.862 -0.429 25850 10219 1 19 . 1 1 30 30 ALA CA C 30 55.838 55.838 55.168 0.670 25850 10220 1 19 . 1 1 30 30 ALA CB C 30 18.269 18.269 18.363 -0.094 25850 10221 1 19 . 1 1 30 30 ALA H H 30 7.876 7.876 7.908 -0.032 25850 10222 1 19 . 1 1 31 31 LEU N N 31 116.122 116.122 118.250 -2.128 25850 10223 1 19 . 1 1 31 31 LEU HA H 31 4.003 4.003 3.952 0.051 25850 10224 1 19 . 1 1 31 31 LEU C C 31 178.416 178.416 179.024 -0.608 25850 10225 1 19 . 1 1 31 31 LEU CA C 31 57.921 57.921 57.712 0.209 25850 10226 1 19 . 1 1 31 31 LEU CB C 31 42.463 42.463 41.803 0.660 25850 10227 1 19 . 1 1 31 31 LEU H H 31 8.084 8.084 7.851 0.233 25850 10228 1 19 . 1 1 32 32 TYR N N 32 119.225 119.225 120.546 -1.321 25850 10229 1 19 . 1 1 32 32 TYR HA H 32 4.063 4.063 4.348 -0.285 25850 10230 1 19 . 1 1 32 32 TYR C C 32 176.310 176.310 177.780 -1.470 25850 10231 1 19 . 1 1 32 32 TYR CA C 32 61.992 61.992 61.785 0.207 25850 10232 1 19 . 1 1 32 32 TYR CB C 32 38.659 38.659 38.574 0.085 25850 10233 1 19 . 1 1 32 32 TYR H H 32 8.562 8.562 8.094 0.468 25850 10234 1 19 . 1 1 33 33 ASN N N 33 116.880 116.880 117.154 -0.274 25850 10235 1 19 . 1 1 33 33 ASN HA H 33 4.068 4.068 4.168 -0.100 25850 10236 1 19 . 1 1 33 33 ASN C C 33 178.353 178.353 177.675 0.678 25850 10237 1 19 . 1 1 33 33 ASN CA C 33 55.858 55.858 56.462 -0.604 25850 10238 1 19 . 1 1 33 33 ASN CB C 33 35.968 35.968 38.004 -2.036 25850 10239 1 19 . 1 1 33 33 ASN H H 33 8.213 8.213 8.022 0.191 25850 10240 1 19 . 1 1 34 34 ILE N N 34 121.401 121.401 120.915 0.486 25850 10241 1 19 . 1 1 34 34 ILE HA H 34 3.300 3.300 3.700 -0.400 25850 10242 1 19 . 1 1 34 34 ILE C C 34 177.867 177.867 177.662 0.205 25850 10243 1 19 . 1 1 34 34 ILE CA C 34 66.528 66.528 65.659 0.869 25850 10244 1 19 . 1 1 34 34 ILE CB C 34 37.839 37.839 37.338 0.501 25850 10245 1 19 . 1 1 34 34 ILE H H 34 8.087 8.087 8.223 -0.136 25850 10246 1 19 . 1 1 35 35 GLY N N 35 107.275 107.275 107.581 -0.306 25850 10247 1 19 . 1 1 35 35 GLY C C 35 175.048 175.048 175.785 -0.737 25850 10248 1 19 . 1 1 35 35 GLY CA C 35 48.547 48.547 46.759 1.788 25850 10249 1 19 . 1 1 35 35 GLY H H 35 7.922 7.922 7.850 0.072 25850 10250 1 19 . 1 1 36 36 LEU N N 36 120.414 120.414 121.777 -1.363 25850 10251 1 19 . 1 1 36 36 LEU HA H 36 4.048 4.048 3.971 0.077 25850 10252 1 19 . 1 1 36 36 LEU C C 36 180.804 180.804 178.978 1.826 25850 10253 1 19 . 1 1 36 36 LEU CA C 36 58.063 58.063 57.776 0.287 25850 10254 1 19 . 1 1 36 36 LEU CB C 36 41.701 41.701 41.475 0.226 25850 10255 1 19 . 1 1 36 36 LEU H H 36 8.177 8.177 7.683 0.494 25850 10256 1 19 . 1 1 37 37 GLU N N 37 120.083 120.083 119.029 1.054 25850 10257 1 19 . 1 1 37 37 GLU HA H 37 4.075 4.075 4.023 0.052 25850 10258 1 19 . 1 1 37 37 GLU C C 37 179.517 179.517 179.346 0.171 25850 10259 1 19 . 1 1 37 37 GLU CA C 37 58.603 58.603 59.142 -0.539 25850 10260 1 19 . 1 1 37 37 GLU CB C 37 29.799 29.799 29.037 0.762 25850 10261 1 19 . 1 1 37 37 GLU H H 37 7.750 7.750 7.722 0.028 25850 10262 1 19 . 1 1 38 38 LYS N N 38 118.263 118.263 118.152 0.111 25850 10263 1 19 . 1 1 38 38 LYS HA H 38 3.862 3.862 3.972 -0.110 25850 10264 1 19 . 1 1 38 38 LYS C C 38 179.253 179.253 178.807 0.446 25850 10265 1 19 . 1 1 38 38 LYS CA C 38 57.937 57.937 58.608 -0.671 25850 10266 1 19 . 1 1 38 38 LYS CB C 38 30.769 30.769 31.763 -0.994 25850 10267 1 19 . 1 1 38 38 LYS H H 38 8.550 8.550 7.957 0.593 25850 10268 1 19 . 1 1 39 39 ASN N N 39 118.329 118.329 117.563 0.766 25850 10269 1 19 . 1 1 39 39 ASN HA H 39 4.193 4.193 4.498 -0.305 25850 10270 1 19 . 1 1 39 39 ASN C C 39 179.428 179.428 178.148 1.280 25850 10271 1 19 . 1 1 39 39 ASN CA C 39 56.177 56.177 55.936 0.241 25850 10272 1 19 . 1 1 39 39 ASN CB C 39 38.478 38.478 38.575 -0.097 25850 10273 1 19 . 1 1 39 39 ASN H H 39 8.294 8.294 8.138 0.156 25850 10274 1 19 . 1 1 40 40 LYS N N 40 121.176 121.176 118.951 2.225 25850 10275 1 19 . 1 1 40 40 LYS HA H 40 4.047 4.047 4.242 -0.195 25850 10276 1 19 . 1 1 40 40 LYS C C 40 178.229 178.229 178.201 0.028 25850 10277 1 19 . 1 1 40 40 LYS CA C 40 59.471 59.471 58.522 0.949 25850 10278 1 19 . 1 1 40 40 LYS CB C 40 32.427 32.427 32.006 0.421 25850 10279 1 19 . 1 1 40 40 LYS H H 40 7.912 7.912 7.667 0.245 25850 10280 1 19 . 1 1 41 41 MET N N 41 114.548 114.548 116.427 -1.879 25850 10281 1 19 . 1 1 41 41 MET HA H 41 4.512 4.512 4.397 0.115 25850 10282 1 19 . 1 1 41 41 MET C C 41 175.915 175.915 176.680 -0.765 25850 10283 1 19 . 1 1 41 41 MET CA C 41 55.529 55.529 56.124 -0.595 25850 10284 1 19 . 1 1 41 41 MET CB C 41 34.022 34.022 33.078 0.944 25850 10285 1 19 . 1 1 41 41 MET H H 41 7.389 7.389 7.570 -0.181 25850 10286 1 19 . 1 1 42 42 GLY N N 42 107.409 107.409 106.198 1.211 25850 10287 1 19 . 1 1 42 42 GLY C C 42 175.041 175.041 174.979 0.062 25850 10288 1 19 . 1 1 42 42 GLY CA C 42 45.335 45.335 45.134 0.201 25850 10289 1 19 . 1 1 42 42 GLY H H 42 7.929 7.929 7.629 0.300 25850 10290 1 19 . 1 1 43 43 LYS N N 43 124.326 124.326 122.646 1.680 25850 10291 1 19 . 1 1 43 43 LYS HA H 43 4.684 4.684 4.423 0.261 25850 10292 1 19 . 1 1 43 43 LYS C C 43 176.514 176.514 176.188 0.326 25850 10293 1 19 . 1 1 43 43 LYS CA C 43 53.791 53.791 54.987 -1.196 25850 10294 1 19 . 1 1 43 43 LYS CB C 43 30.065 30.065 31.137 -1.072 25850 10295 1 19 . 1 1 43 43 LYS H H 43 8.040 8.040 7.952 0.088 25850 10296 1 19 . 1 1 44 44 VAL N N 44 121.020 121.020 121.526 -0.506 25850 10297 1 19 . 1 1 44 44 VAL HA H 44 3.580 3.580 3.654 -0.074 25850 10298 1 19 . 1 1 44 44 VAL C C 44 177.096 177.096 177.502 -0.406 25850 10299 1 19 . 1 1 44 44 VAL CA C 44 66.166 66.166 66.604 -0.438 25850 10300 1 19 . 1 1 44 44 VAL CB C 44 31.869 31.869 31.962 -0.093 25850 10301 1 19 . 1 1 44 44 VAL H H 44 7.439 7.439 7.705 -0.266 25850 10302 1 19 . 1 1 45 45 LYS N N 45 119.164 119.164 119.063 0.101 25850 10303 1 19 . 1 1 45 45 LYS HA H 45 3.950 3.950 4.041 -0.091 25850 10304 1 19 . 1 1 45 45 LYS C C 45 179.726 179.726 178.523 1.203 25850 10305 1 19 . 1 1 45 45 LYS CA C 45 60.153 60.153 59.763 0.390 25850 10306 1 19 . 1 1 45 45 LYS CB C 45 31.446 31.446 31.567 -0.121 25850 10307 1 19 . 1 1 45 45 LYS H H 45 8.427 8.427 8.707 -0.280 25850 10308 1 19 . 1 1 46 46 GLU N N 46 118.446 118.446 119.638 -1.192 25850 10309 1 19 . 1 1 46 46 GLU HA H 46 4.092 4.092 3.950 0.142 25850 10310 1 19 . 1 1 46 46 GLU C C 46 178.490 178.490 178.530 -0.040 25850 10311 1 19 . 1 1 46 46 GLU CA C 46 59.327 59.327 59.533 -0.206 25850 10312 1 19 . 1 1 46 46 GLU CB C 46 29.764 29.764 28.933 0.831 25850 10313 1 19 . 1 1 46 46 GLU H H 46 7.867 7.867 8.174 -0.307 25850 10314 1 19 . 1 1 47 47 ALA N N 47 122.279 122.279 122.647 -0.368 25850 10315 1 19 . 1 1 47 47 ALA HA H 47 3.513 3.513 3.687 -0.174 25850 10316 1 19 . 1 1 47 47 ALA C C 47 178.065 178.065 179.303 -1.238 25850 10317 1 19 . 1 1 47 47 ALA CA C 47 55.905 55.905 54.948 0.957 25850 10318 1 19 . 1 1 47 47 ALA CB C 47 18.256 18.256 18.172 0.083 25850 10319 1 19 . 1 1 47 47 ALA H H 47 8.315 8.315 7.664 0.651 25850 10320 1 19 . 1 1 48 48 ILE N N 48 115.863 115.863 118.466 -2.603 25850 10321 1 19 . 1 1 48 48 ILE HA H 48 3.401 3.401 3.510 -0.109 25850 10322 1 19 . 1 1 48 48 ILE C C 48 176.808 176.808 178.175 -1.367 25850 10323 1 19 . 1 1 48 48 ILE CA C 48 66.282 66.282 65.701 0.581 25850 10324 1 19 . 1 1 48 48 ILE CB C 48 38.375 38.375 37.796 0.579 25850 10325 1 19 . 1 1 48 48 ILE H H 48 8.077 8.077 8.000 0.077 25850 10326 1 19 . 1 1 49 49 GLU N N 49 116.853 116.853 118.899 -2.046 25850 10327 1 19 . 1 1 49 49 GLU HA H 49 3.920 3.920 3.863 0.057 25850 10328 1 19 . 1 1 49 49 GLU C C 49 179.914 179.914 179.135 0.779 25850 10329 1 19 . 1 1 49 49 GLU CA C 49 59.535 59.535 59.663 -0.128 25850 10330 1 19 . 1 1 49 49 GLU CB C 49 28.995 28.995 29.412 -0.417 25850 10331 1 19 . 1 1 49 49 GLU H H 49 7.175 7.175 7.613 -0.438 25850 10332 1 19 . 1 1 50 50 TYR N N 50 117.578 117.578 119.223 -1.645 25850 10333 1 19 . 1 1 50 50 TYR HA H 50 3.774 3.774 4.169 -0.395 25850 10334 1 19 . 1 1 50 50 TYR C C 50 178.462 178.462 178.286 0.176 25850 10335 1 19 . 1 1 50 50 TYR CA C 50 64.368 64.368 61.458 2.910 25850 10336 1 19 . 1 1 50 50 TYR CB C 50 37.345 37.345 38.098 -0.753 25850 10337 1 19 . 1 1 50 50 TYR H H 50 7.676 7.676 7.869 -0.193 25850 10338 1 19 . 1 1 51 51 PHE N N 51 119.480 119.480 117.944 1.536 25850 10339 1 19 . 1 1 51 51 PHE HA H 51 4.711 4.711 4.457 0.254 25850 10340 1 19 . 1 1 51 51 PHE C C 51 178.720 178.720 178.034 0.686 25850 10341 1 19 . 1 1 51 51 PHE CA C 51 58.958 58.958 60.052 -1.094 25850 10342 1 19 . 1 1 51 51 PHE CB C 51 37.771 37.771 38.129 -0.358 25850 10343 1 19 . 1 1 51 51 PHE H H 51 9.013 9.013 8.319 0.694 25850 10344 1 19 . 1 1 52 52 LEU N N 52 120.365 120.365 120.747 -0.382 25850 10345 1 19 . 1 1 52 52 LEU HA H 52 4.093 4.093 3.977 0.116 25850 10346 1 19 . 1 1 52 52 LEU C C 52 180.229 180.229 179.044 1.185 25850 10347 1 19 . 1 1 52 52 LEU CA C 52 58.252 58.252 58.261 -0.009 25850 10348 1 19 . 1 1 52 52 LEU CB C 52 42.160 42.160 41.517 0.643 25850 10349 1 19 . 1 1 52 52 LEU H H 52 8.906 8.906 8.433 0.473 25850 10350 1 19 . 1 1 53 53 ARG N N 53 119.294 119.294 119.045 0.249 25850 10351 1 19 . 1 1 53 53 ARG HA H 53 3.929 3.929 4.034 -0.105 25850 10352 1 19 . 1 1 53 53 ARG C C 53 179.087 179.087 178.486 0.601 25850 10353 1 19 . 1 1 53 53 ARG CA C 53 59.580 59.580 59.641 -0.060 25850 10354 1 19 . 1 1 53 53 ARG CB C 53 31.418 31.418 29.931 1.486 25850 10355 1 19 . 1 1 53 53 ARG H H 53 7.846 7.846 8.334 -0.488 25850 10356 1 19 . 1 1 54 54 ALA N N 54 121.351 121.351 122.288 -0.937 25850 10357 1 19 . 1 1 54 54 ALA HA H 54 3.693 3.693 3.894 -0.201 25850 10358 1 19 . 1 1 54 54 ALA C C 54 177.631 177.631 178.950 -1.319 25850 10359 1 19 . 1 1 54 54 ALA CA C 54 55.115 55.115 55.484 -0.369 25850 10360 1 19 . 1 1 54 54 ALA CB C 54 17.612 17.612 18.393 -0.781 25850 10361 1 19 . 1 1 54 54 ALA H H 54 8.892 8.892 8.281 0.611 25850 10362 1 19 . 1 1 55 55 LYS N N 55 117.135 117.135 118.166 -1.031 25850 10363 1 19 . 1 1 55 55 LYS HA H 55 3.835 3.835 4.160 -0.325 25850 10364 1 19 . 1 1 55 55 LYS C C 55 176.970 176.970 178.740 -1.770 25850 10365 1 19 . 1 1 55 55 LYS CA C 55 60.725 60.725 59.773 0.952 25850 10366 1 19 . 1 1 55 55 LYS CB C 55 32.602 32.602 32.500 0.102 25850 10367 1 19 . 1 1 55 55 LYS H H 55 8.626 8.626 8.141 0.485 25850 10368 1 19 . 1 1 56 56 LYS N N 56 116.695 116.695 119.658 -2.963 25850 10369 1 19 . 1 1 56 56 LYS HA H 56 4.171 4.171 4.162 0.009 25850 10370 1 19 . 1 1 56 56 LYS C C 56 180.037 180.037 179.065 0.972 25850 10371 1 19 . 1 1 56 56 LYS CA C 56 59.606 59.606 58.413 1.193 25850 10372 1 19 . 1 1 56 56 LYS CB C 56 32.349 32.349 31.835 0.514 25850 10373 1 19 . 1 1 56 56 LYS H H 56 7.652 7.652 7.747 -0.095 25850 10374 1 19 . 1 1 57 57 VAL N N 57 120.809 120.809 119.772 1.037 25850 10375 1 19 . 1 1 57 57 VAL HA H 57 3.753 3.753 3.552 0.201 25850 10376 1 19 . 1 1 57 57 VAL C C 57 178.174 178.174 177.832 0.342 25850 10377 1 19 . 1 1 57 57 VAL CA C 57 66.226 66.226 66.755 -0.529 25850 10378 1 19 . 1 1 57 57 VAL CB C 57 31.424 31.424 31.597 -0.173 25850 10379 1 19 . 1 1 57 57 VAL H H 57 7.583 7.583 8.039 -0.456 25850 10380 1 19 . 1 1 58 58 PHE N N 58 118.864 118.864 118.243 0.621 25850 10381 1 19 . 1 1 58 58 PHE HA H 58 4.521 4.521 4.156 0.365 25850 10382 1 19 . 1 1 58 58 PHE C C 58 179.187 179.187 177.767 1.420 25850 10383 1 19 . 1 1 58 58 PHE CA C 58 59.849 59.849 60.670 -0.822 25850 10384 1 19 . 1 1 58 58 PHE CB C 58 37.753 37.753 37.908 -0.155 25850 10385 1 19 . 1 1 58 58 PHE H H 58 8.871 8.871 7.888 0.983 25850 10386 1 19 . 1 1 59 59 ASP N N 59 119.714 119.714 120.002 -0.288 25850 10387 1 19 . 1 1 59 59 ASP HA H 59 4.444 4.444 4.452 -0.008 25850 10388 1 19 . 1 1 59 59 ASP C C 59 180.066 180.066 178.508 1.558 25850 10389 1 19 . 1 1 59 59 ASP CA C 59 57.201 57.201 57.317 -0.116 25850 10390 1 19 . 1 1 59 59 ASP CB C 59 39.713 39.713 40.881 -1.168 25850 10391 1 19 . 1 1 59 59 ASP H H 59 9.157 9.157 8.206 0.951 25850 10392 1 19 . 1 1 60 60 ALA N N 60 124.290 124.290 121.042 3.248 25850 10393 1 19 . 1 1 60 60 ALA HA H 60 4.087 4.087 4.062 0.025 25850 10394 1 19 . 1 1 60 60 ALA C C 60 179.389 179.389 179.233 0.156 25850 10395 1 19 . 1 1 60 60 ALA CA C 60 54.760 54.760 54.165 0.595 25850 10396 1 19 . 1 1 60 60 ALA CB C 60 18.025 18.025 18.683 -0.659 25850 10397 1 19 . 1 1 60 60 ALA H H 60 7.742 7.742 7.852 -0.110 25850 10398 1 19 . 1 1 61 61 GLU N N 61 114.493 114.493 116.121 -1.628 25850 10399 1 19 . 1 1 61 61 GLU HA H 61 4.259 4.259 4.164 0.095 25850 10400 1 19 . 1 1 61 61 GLU C C 61 175.970 175.970 175.960 0.010 25850 10401 1 19 . 1 1 61 61 GLU CA C 61 55.049 55.049 56.473 -1.424 25850 10402 1 19 . 1 1 61 61 GLU CB C 61 29.724 29.724 29.956 -0.231 25850 10403 1 19 . 1 1 61 61 GLU H H 61 7.908 7.908 7.721 0.187 25850 10404 1 19 . 1 1 62 62 HIS N N 62 115.130 115.130 113.650 1.480 25850 10405 1 19 . 1 1 62 62 HIS HA H 62 4.264 4.264 4.379 -0.115 25850 10406 1 19 . 1 1 62 62 HIS C C 62 173.916 173.916 174.322 -0.406 25850 10407 1 19 . 1 1 62 62 HIS CA C 62 56.531 56.531 56.520 0.011 25850 10408 1 19 . 1 1 62 62 HIS CB C 62 26.039 26.039 27.670 -1.631 25850 10409 1 19 . 1 1 62 62 HIS H H 62 7.830 7.830 7.287 0.543 25850 10410 1 19 . 1 1 63 63 ASP N N 63 118.507 118.507 120.079 -1.572 25850 10411 1 19 . 1 1 63 63 ASP HA H 63 4.854 4.854 4.784 0.070 25850 10412 1 19 . 1 1 63 63 ASP C C 63 176.143 176.143 176.510 -0.367 25850 10413 1 19 . 1 1 63 63 ASP CA C 63 52.127 52.127 52.969 -0.842 25850 10414 1 19 . 1 1 63 63 ASP CB C 63 40.068 40.068 41.009 -0.941 25850 10415 1 19 . 1 1 63 63 ASP H H 63 8.521 8.521 8.186 0.335 25850 10416 1 19 . 1 1 64 64 THR N N 64 119.037 119.037 121.407 -2.370 25850 10417 1 19 . 1 1 64 64 THR HA H 64 3.869 3.869 4.063 -0.194 25850 10418 1 19 . 1 1 64 64 THR C C 64 176.814 176.814 175.499 1.315 25850 10419 1 19 . 1 1 64 64 THR CA C 64 65.198 65.198 65.153 0.045 25850 10420 1 19 . 1 1 64 64 THR CB C 64 68.315 68.315 69.062 -0.747 25850 10421 1 19 . 1 1 64 64 THR H H 64 7.907 7.907 8.075 -0.168 25850 10422 1 19 . 1 1 65 65 ASP N N 65 122.892 122.892 120.256 2.636 25850 10423 1 19 . 1 1 65 65 ASP HA H 65 4.287 4.287 4.344 -0.057 25850 10424 1 19 . 1 1 65 65 ASP C C 65 178.326 178.326 178.179 0.147 25850 10425 1 19 . 1 1 65 65 ASP CA C 65 57.350 57.350 57.444 -0.094 25850 10426 1 19 . 1 1 65 65 ASP CB C 65 41.121 41.121 40.353 0.768 25850 10427 1 19 . 1 1 65 65 ASP H H 65 8.375 8.375 8.215 0.160 25850 10428 1 19 . 1 1 66 66 GLY N N 66 109.334 109.334 106.344 2.990 25850 10429 1 19 . 1 1 66 66 GLY C C 66 175.861 175.861 175.498 0.363 25850 10430 1 19 . 1 1 66 66 GLY CA C 66 46.136 46.136 46.238 -0.102 25850 10431 1 19 . 1 1 66 66 GLY H H 66 8.234 8.234 7.913 0.321 25850 10432 1 19 . 1 1 67 67 ALA N N 67 122.888 122.888 124.647 -1.759 25850 10433 1 19 . 1 1 67 67 ALA HA H 67 3.892 3.892 4.109 -0.217 25850 10434 1 19 . 1 1 67 67 ALA C C 67 179.384 179.384 179.607 -0.223 25850 10435 1 19 . 1 1 67 67 ALA CA C 67 55.960 55.960 54.583 1.377 25850 10436 1 19 . 1 1 67 67 ALA CB C 67 18.611 18.611 18.618 -0.007 25850 10437 1 19 . 1 1 67 67 ALA H H 67 7.949 7.949 7.473 0.476 25850 10438 1 19 . 1 1 68 68 ARG N N 68 118.221 118.221 118.107 0.114 25850 10439 1 19 . 1 1 68 68 ARG HA H 68 3.993 3.993 4.037 -0.044 25850 10440 1 19 . 1 1 68 68 ARG C C 68 179.355 179.355 178.962 0.393 25850 10441 1 19 . 1 1 68 68 ARG CA C 68 59.234 59.234 59.242 -0.008 25850 10442 1 19 . 1 1 68 68 ARG CB C 68 29.799 29.799 30.108 -0.309 25850 10443 1 19 . 1 1 68 68 ARG H H 68 7.917 7.917 8.033 -0.116 25850 10444 1 19 . 1 1 69 69 ARG N N 69 120.551 120.551 119.559 0.992 25850 10445 1 19 . 1 1 69 69 ARG HA H 69 3.923 3.923 3.977 -0.054 25850 10446 1 19 . 1 1 69 69 ARG C C 69 179.120 179.120 178.239 0.881 25850 10447 1 19 . 1 1 69 69 ARG CA C 69 59.310 59.310 59.434 -0.124 25850 10448 1 19 . 1 1 69 69 ARG CB C 69 29.189 29.189 29.657 -0.469 25850 10449 1 19 . 1 1 69 69 ARG H H 69 7.749 7.749 7.703 0.046 25850 10450 1 19 . 1 1 70 70 ALA N N 70 121.098 121.098 121.404 -0.306 25850 10451 1 19 . 1 1 70 70 ALA HA H 70 4.016 4.016 4.302 -0.286 25850 10452 1 19 . 1 1 70 70 ALA C C 70 178.438 178.438 179.471 -1.033 25850 10453 1 19 . 1 1 70 70 ALA CA C 70 55.536 55.536 54.884 0.652 25850 10454 1 19 . 1 1 70 70 ALA CB C 70 17.216 17.216 18.263 -1.047 25850 10455 1 19 . 1 1 70 70 ALA H H 70 8.245 8.245 7.929 0.316 25850 10456 1 19 . 1 1 71 71 ALA N N 71 119.333 119.333 120.239 -0.906 25850 10457 1 19 . 1 1 71 71 ALA HA H 71 4.047 4.047 4.161 -0.114 25850 10458 1 19 . 1 1 71 71 ALA C C 71 180.219 180.219 179.476 0.743 25850 10459 1 19 . 1 1 71 71 ALA CA C 71 55.083 55.083 54.724 0.359 25850 10460 1 19 . 1 1 71 71 ALA CB C 71 18.198 18.198 18.375 -0.177 25850 10461 1 19 . 1 1 71 71 ALA H H 71 8.565 8.565 7.933 0.632 25850 10462 1 19 . 1 1 72 72 LYS N N 72 121.188 121.188 119.639 1.549 25850 10463 1 19 . 1 1 72 72 LYS HA H 72 4.107 4.107 4.108 -0.001 25850 10464 1 19 . 1 1 72 72 LYS C C 72 179.155 179.155 178.720 0.435 25850 10465 1 19 . 1 1 72 72 LYS CA C 72 59.271 59.271 58.524 0.747 25850 10466 1 19 . 1 1 72 72 LYS CB C 72 31.786 31.786 32.201 -0.415 25850 10467 1 19 . 1 1 72 72 LYS H H 72 8.108 8.108 7.971 0.137 25850 10468 1 19 . 1 1 73 73 SER N N 73 116.976 116.976 116.095 0.881 25850 10469 1 19 . 1 1 73 73 SER HA H 73 3.957 3.957 4.069 -0.112 25850 10470 1 19 . 1 1 73 73 SER C C 73 176.394 176.394 176.285 0.109 25850 10471 1 19 . 1 1 73 73 SER CA C 73 62.753 62.753 61.656 1.097 25850 10472 1 19 . 1 1 73 73 SER CB C 73 60.718 60.718 62.425 -1.707 25850 10473 1 19 . 1 1 73 73 SER H H 73 8.057 8.057 7.816 0.241 25850 10474 1 19 . 1 1 74 74 LEU N N 74 123.741 123.741 122.693 1.048 25850 10475 1 19 . 1 1 74 74 LEU HA H 74 3.831 3.831 3.813 0.018 25850 10476 1 19 . 1 1 74 74 LEU C C 74 176.704 176.704 178.316 -1.612 25850 10477 1 19 . 1 1 74 74 LEU CA C 74 58.545 58.545 58.175 0.370 25850 10478 1 19 . 1 1 74 74 LEU CB C 74 41.862 41.862 41.793 0.069 25850 10479 1 19 . 1 1 74 74 LEU H H 74 8.341 8.341 7.913 0.428 25850 10480 1 19 . 1 1 75 75 SER N N 75 113.508 113.508 113.934 -0.426 25850 10481 1 19 . 1 1 75 75 SER HA H 75 4.277 4.277 4.271 0.006 25850 10482 1 19 . 1 1 75 75 SER C C 75 177.668 177.668 176.744 0.924 25850 10483 1 19 . 1 1 75 75 SER CA C 75 61.926 61.926 61.979 -0.053 25850 10484 1 19 . 1 1 75 75 SER CB C 75 62.702 62.702 62.981 -0.279 25850 10485 1 19 . 1 1 75 75 SER H H 75 8.055 8.055 7.833 0.222 25850 10486 1 19 . 1 1 76 76 GLU N N 76 119.999 119.999 121.487 -1.488 25850 10487 1 19 . 1 1 76 76 GLU HA H 76 4.041 4.041 4.227 -0.186 25850 10488 1 19 . 1 1 76 76 GLU C C 76 178.836 178.836 178.417 0.419 25850 10489 1 19 . 1 1 76 76 GLU CA C 76 58.928 58.928 59.159 -0.231 25850 10490 1 19 . 1 1 76 76 GLU CB C 76 29.684 29.684 29.680 0.004 25850 10491 1 19 . 1 1 76 76 GLU H H 76 7.874 7.874 7.799 0.075 25850 10492 1 19 . 1 1 77 77 ALA N N 77 123.551 123.551 121.549 2.002 25850 10493 1 19 . 1 1 77 77 ALA HA H 77 4.242 4.242 4.161 0.081 25850 10494 1 19 . 1 1 77 77 ALA C C 77 180.005 180.005 179.838 0.167 25850 10495 1 19 . 1 1 77 77 ALA CA C 77 55.031 55.031 54.621 0.410 25850 10496 1 19 . 1 1 77 77 ALA CB C 77 18.237 18.237 18.499 -0.262 25850 10497 1 19 . 1 1 77 77 ALA H H 77 8.043 8.043 7.398 0.645 25850 10498 1 19 . 1 1 78 78 TYR N N 78 116.371 116.371 117.804 -1.433 25850 10499 1 19 . 1 1 78 78 TYR HA H 78 4.418 4.418 4.176 0.242 25850 10500 1 19 . 1 1 78 78 TYR C C 78 178.901 178.901 178.633 0.268 25850 10501 1 19 . 1 1 78 78 TYR CA C 78 60.302 60.302 60.829 -0.527 25850 10502 1 19 . 1 1 78 78 TYR CB C 78 37.416 37.416 37.443 -0.027 25850 10503 1 19 . 1 1 78 78 TYR H H 78 8.699 8.699 8.258 0.441 25850 10504 1 19 . 1 1 79 79 GLN N N 79 116.649 116.649 118.824 -2.175 25850 10505 1 19 . 1 1 79 79 GLN HA H 79 4.212 4.212 4.101 0.111 25850 10506 1 19 . 1 1 79 79 GLN C C 79 177.778 177.778 177.709 0.069 25850 10507 1 19 . 1 1 79 79 GLN CA C 79 57.922 57.922 58.673 -0.751 25850 10508 1 19 . 1 1 79 79 GLN CB C 79 28.659 28.659 28.257 0.402 25850 10509 1 19 . 1 1 79 79 GLN H H 79 7.667 7.667 7.875 -0.208 25850 10510 1 19 . 1 1 80 80 LYS N N 80 118.855 118.855 117.833 1.022 25850 10511 1 19 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.287 0.006 25850 10512 1 19 . 1 1 80 80 LYS C C 80 178.038 178.038 178.057 -0.019 25850 10513 1 19 . 1 1 80 80 LYS CA C 80 57.474 57.474 58.440 -0.966 25850 10514 1 19 . 1 1 80 80 LYS CB C 80 32.816 32.816 32.720 0.096 25850 10515 1 19 . 1 1 80 80 LYS H H 80 7.766 7.766 7.655 0.111 25850 10516 1 19 . 1 1 81 81 VAL N N 81 117.863 117.863 117.306 0.557 25850 10517 1 19 . 1 1 81 81 VAL HA H 81 4.076 4.076 3.933 0.143 25850 10518 1 19 . 1 1 81 81 VAL C C 81 176.805 176.805 177.336 -0.531 25850 10519 1 19 . 1 1 81 81 VAL CA C 81 63.409 63.409 64.448 -1.039 25850 10520 1 19 . 1 1 81 81 VAL CB C 81 32.423 32.423 32.179 0.244 25850 10521 1 19 . 1 1 81 81 VAL H H 81 7.821 7.821 7.394 0.427 25850 10522 1 19 . 1 1 82 82 GLU N N 82 122.552 122.552 119.632 2.920 25850 10523 1 19 . 1 1 82 82 GLU HA H 82 4.277 4.277 4.160 0.117 25850 10524 1 19 . 1 1 82 82 GLU C C 82 177.559 177.559 177.491 0.068 25850 10525 1 19 . 1 1 82 82 GLU CA C 82 57.300 57.300 58.797 -1.498 25850 10526 1 19 . 1 1 82 82 GLU CB C 82 29.927 29.927 29.936 -0.009 25850 10527 1 19 . 1 1 82 82 GLU H H 82 8.329 8.329 8.170 0.159 25850 10528 1 19 . 1 1 83 83 GLY N N 83 109.040 109.040 106.232 2.808 25850 10529 1 19 . 1 1 83 83 GLY C C 83 174.590 174.590 173.698 0.892 25850 10530 1 19 . 1 1 83 83 GLY CA C 83 45.530 45.530 45.713 -0.183 25850 10531 1 19 . 1 1 83 83 GLY H H 83 8.309 8.309 7.751 0.558 25850 10532 1 19 . 1 1 84 84 SER N N 84 115.258 115.258 115.917 -0.659 25850 10533 1 19 . 1 1 84 84 SER HA H 84 4.495 4.495 4.564 -0.069 25850 10534 1 19 . 1 1 84 84 SER C C 84 175.217 175.217 173.632 1.585 25850 10535 1 19 . 1 1 84 84 SER CA C 84 58.580 58.580 58.307 0.273 25850 10536 1 19 . 1 1 84 84 SER CB C 84 63.827 63.827 64.144 -0.317 25850 10537 1 19 . 1 1 84 84 SER H H 84 8.180 8.180 8.058 0.122 25850 10538 1 19 . 1 1 85 85 GLY N N 85 110.681 110.681 112.621 -1.940 25850 10539 1 19 . 1 1 85 85 GLY C C 85 174.063 174.063 174.696 -0.633 25850 10540 1 19 . 1 1 85 85 GLY CA C 85 45.395 45.395 45.214 0.181 25850 10541 1 19 . 1 1 85 85 GLY H H 85 8.472 8.472 7.804 0.668 25850 10542 1 19 . 1 1 86 86 ASP N N 86 120.537 120.537 124.333 -3.796 25850 10543 1 19 . 1 1 86 86 ASP HA H 86 4.597 4.597 4.478 0.119 25850 10544 1 19 . 1 1 86 86 ASP C C 86 176.761 176.761 176.797 -0.036 25850 10545 1 19 . 1 1 86 86 ASP CA C 86 54.451 54.451 54.251 0.200 25850 10546 1 19 . 1 1 86 86 ASP CB C 86 41.069 41.069 41.325 -0.256 25850 10547 1 19 . 1 1 86 86 ASP H H 86 8.272 8.272 8.379 -0.107 25850 10548 1 19 . 1 1 87 87 LYS N N 87 121.608 121.608 123.611 -2.003 25850 10549 1 19 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.279 -0.033 25850 10550 1 19 . 1 1 87 87 LYS C C 87 177.342 177.342 176.130 1.212 25850 10551 1 19 . 1 1 87 87 LYS CA C 87 56.545 56.545 56.431 0.114 25850 10552 1 19 . 1 1 87 87 LYS CB C 87 32.302 32.302 31.123 1.179 25850 10553 1 19 . 1 1 87 87 LYS H H 87 8.344 8.344 8.384 -0.040 25850 10554 1 19 . 1 1 88 88 GLY N N 88 108.711 108.711 111.999 -3.288 25850 10555 1 19 . 1 1 88 88 GLY C C 88 174.216 174.216 174.603 -0.387 25850 10556 1 19 . 1 1 88 88 GLY CA C 88 45.339 45.339 44.302 1.037 25850 10557 1 19 . 1 1 88 88 GLY H H 88 8.449 8.449 8.323 0.126 25850 10558 1 19 . 1 1 89 89 LYS N N 89 120.508 120.508 122.024 -1.516 25850 10559 1 19 . 1 1 89 89 LYS HA H 89 4.266 4.266 4.291 -0.025 25850 10560 1 19 . 1 1 89 89 LYS C C 89 176.464 176.464 175.879 0.585 25850 10561 1 19 . 1 1 89 89 LYS CA C 89 56.214 56.214 56.407 -0.193 25850 10562 1 19 . 1 1 89 89 LYS CB C 89 32.824 32.824 30.953 1.871 25850 10563 1 19 . 1 1 89 89 LYS H H 89 7.958 7.958 8.306 -0.348 25850 10564 1 19 . 1 1 90 90 ILE N N 90 121.127 121.127 126.226 -5.099 25850 10565 1 19 . 1 1 90 90 ILE HA H 90 4.091 4.091 4.233 -0.142 25850 10566 1 19 . 1 1 90 90 ILE C C 90 175.896 175.896 175.105 0.791 25850 10567 1 19 . 1 1 90 90 ILE CA C 90 61.022 61.022 59.317 1.705 25850 10568 1 19 . 1 1 90 90 ILE CB C 90 38.488 38.488 36.249 2.239 25850 10569 1 19 . 1 1 90 90 ILE H H 90 8.005 8.005 8.063 -0.058 25850 10570 1 19 . 1 1 91 91 PHE N N 91 123.843 123.843 129.318 -5.475 25850 10571 1 19 . 1 1 91 91 PHE HA H 91 4.615 4.615 4.579 0.036 25850 10572 1 19 . 1 1 91 91 PHE C C 91 175.327 175.327 175.036 0.291 25850 10573 1 19 . 1 1 91 91 PHE CA C 91 57.565 57.565 57.619 -0.054 25850 10574 1 19 . 1 1 91 91 PHE CB C 91 39.457 39.457 39.994 -0.537 25850 10575 1 19 . 1 1 91 91 PHE H H 91 8.283 8.283 8.691 -0.408 25850 10576 1 19 . 1 1 92 92 GLN N N 92 122.349 122.349 129.012 -6.663 25850 10577 1 19 . 1 1 92 92 GLN HA H 92 4.296 4.296 4.319 -0.023 25850 10578 1 19 . 1 1 92 92 GLN C C 92 175.338 175.338 175.227 0.111 25850 10579 1 19 . 1 1 92 92 GLN CA C 92 55.492 55.492 54.886 0.605 25850 10580 1 19 . 1 1 92 92 GLN CB C 92 29.708 29.708 28.528 1.180 25850 10581 1 19 . 1 1 92 92 GLN H H 92 8.212 8.212 8.390 -0.178 25850 10582 1 19 . 1 1 93 93 LYS N N 93 123.137 123.137 125.498 -2.361 25850 10583 1 19 . 1 1 93 93 LYS HA H 93 4.250 4.250 3.963 0.287 25850 10584 1 19 . 1 1 93 93 LYS C C 93 176.492 176.492 176.187 0.305 25850 10585 1 19 . 1 1 93 93 LYS CA C 93 56.272 56.272 56.835 -0.563 25850 10586 1 19 . 1 1 93 93 LYS CB C 93 33.055 33.055 32.526 0.529 25850 10587 1 19 . 1 1 93 93 LYS H H 93 8.364 8.364 8.492 -0.128 25850 10588 1 19 . 1 1 94 94 GLU N N 94 122.671 122.671 125.216 -2.545 25850 10589 1 19 . 1 1 94 94 GLU HA H 94 4.246 4.246 4.499 -0.253 25850 10590 1 19 . 1 1 94 94 GLU C C 94 177.008 177.008 177.396 -0.388 25850 10591 1 19 . 1 1 94 94 GLU CA C 94 56.848 56.848 55.063 1.785 25850 10592 1 19 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.544 -0.490 25850 10593 1 19 . 1 1 94 94 GLU H H 94 8.571 8.571 8.464 0.107 25850 10594 1 19 . 1 1 95 95 GLY N N 95 110.337 110.337 109.483 0.854 25850 10595 1 19 . 1 1 95 95 GLY C C 95 174.070 174.070 173.816 0.254 25850 10596 1 19 . 1 1 95 95 GLY CA C 95 45.191 45.191 44.653 0.538 25850 10597 1 19 . 1 1 95 95 GLY H H 95 8.490 8.490 8.671 -0.181 25850 10598 1 19 . 1 1 96 96 GLU N N 96 120.183 120.183 122.811 -2.628 25850 10599 1 19 . 1 1 96 96 GLU HA H 96 4.339 4.339 4.200 0.139 25850 10600 1 19 . 1 1 96 96 GLU C C 96 176.463 176.463 176.111 0.352 25850 10601 1 19 . 1 1 96 96 GLU CA C 96 56.204 56.204 56.309 -0.105 25850 10602 1 19 . 1 1 96 96 GLU CB C 96 30.433 30.433 29.558 0.875 25850 10603 1 19 . 1 1 96 96 GLU H H 96 8.142 8.142 7.933 0.209 25850 10604 1 19 . 1 1 97 97 SER N N 97 116.979 116.979 121.789 -4.810 25850 10605 1 19 . 1 1 97 97 SER HA H 97 4.472 4.472 4.500 -0.028 25850 10606 1 19 . 1 1 97 97 SER C C 97 174.162 174.162 174.410 -0.248 25850 10607 1 19 . 1 1 97 97 SER CA C 97 58.070 58.070 57.539 0.531 25850 10608 1 19 . 1 1 97 97 SER CB C 97 63.710 63.710 63.140 0.570 25850 10609 1 19 . 1 1 97 97 SER H H 97 8.381 8.381 8.503 -0.122 25850 10610 1 19 . 1 1 98 98 ILE N N 98 122.626 122.626 127.808 -5.182 25850 10611 1 19 . 1 1 98 98 ILE HA H 98 4.201 4.201 3.915 0.286 25850 10612 1 19 . 1 1 98 98 ILE C C 98 175.921 175.921 175.677 0.244 25850 10613 1 19 . 1 1 98 98 ILE CA C 98 60.947 60.947 61.743 -0.796 25850 10614 1 19 . 1 1 98 98 ILE CB C 98 38.616 38.616 36.172 2.444 25850 10615 1 19 . 1 1 98 98 ILE H H 98 8.216 8.216 8.570 -0.354 25850 10616 1 19 . 1 1 99 99 LEU N N 99 126.765 126.765 125.465 1.300 25850 10617 1 19 . 1 1 99 99 LEU HA H 99 4.399 4.399 4.837 -0.438 25850 10618 1 19 . 1 1 99 99 LEU C C 99 176.093 176.093 176.109 -0.016 25850 10619 1 19 . 1 1 99 99 LEU CA C 99 54.853 54.853 53.932 0.921 25850 10620 1 19 . 1 1 99 99 LEU CB C 99 42.135 42.135 43.937 -1.802 25850 10621 1 19 . 1 1 99 99 LEU H H 99 8.326 8.326 8.111 0.215 25850 10622 1 20 . 1 1 2 2 GLY C C 2 173.891 173.891 174.120 -0.229 25850 10623 1 20 . 1 1 2 2 GLY CA C 2 44.831 44.831 44.661 0.170 25850 10624 1 20 . 1 1 3 3 SER N N 3 117.545 117.545 116.095 1.450 25850 10625 1 20 . 1 1 3 3 SER HA H 3 4.799 4.799 4.675 0.124 25850 10626 1 20 . 1 1 3 3 SER C C 3 173.162 173.162 174.675 -1.513 25850 10627 1 20 . 1 1 3 3 SER CA C 3 56.530 56.530 56.573 -0.043 25850 10628 1 20 . 1 1 3 3 SER CB C 3 63.002 63.002 63.511 -0.509 25850 10629 1 20 . 1 1 3 3 SER H H 3 8.428 8.428 8.388 0.040 25850 10630 1 20 . 1 1 4 4 PRO HA H 4 4.644 4.644 4.167 0.477 25850 10631 1 20 . 1 1 4 4 PRO C C 4 178.093 178.093 178.250 -0.157 25850 10632 1 20 . 1 1 4 4 PRO CA C 4 65.378 65.378 65.427 -0.049 25850 10633 1 20 . 1 1 4 4 PRO CB C 4 31.965 31.965 31.904 0.061 25850 10634 1 20 . 1 1 5 5 ASP N N 5 115.270 115.270 116.503 -1.233 25850 10635 1 20 . 1 1 5 5 ASP HA H 5 4.353 4.353 4.326 0.027 25850 10636 1 20 . 1 1 5 5 ASP C C 5 178.915 178.915 177.801 1.114 25850 10637 1 20 . 1 1 5 5 ASP CA C 5 56.796 56.796 56.894 -0.098 25850 10638 1 20 . 1 1 5 5 ASP CB C 5 40.690 40.690 40.694 -0.004 25850 10639 1 20 . 1 1 5 5 ASP H H 5 8.233 8.233 8.524 -0.291 25850 10640 1 20 . 1 1 6 6 GLU N N 6 121.390 121.390 119.705 1.685 25850 10641 1 20 . 1 1 6 6 GLU HA H 6 4.027 4.027 3.961 0.066 25850 10642 1 20 . 1 1 6 6 GLU C C 6 178.836 178.836 178.545 0.291 25850 10643 1 20 . 1 1 6 6 GLU CA C 6 58.594 58.594 59.332 -0.738 25850 10644 1 20 . 1 1 6 6 GLU CB C 6 29.641 29.641 29.605 0.036 25850 10645 1 20 . 1 1 6 6 GLU H H 6 7.770 7.770 7.529 0.241 25850 10646 1 20 . 1 1 7 7 ASN N N 7 119.966 119.966 117.559 2.407 25850 10647 1 20 . 1 1 7 7 ASN HA H 7 4.155 4.155 4.172 -0.017 25850 10648 1 20 . 1 1 7 7 ASN C C 7 176.723 176.723 177.508 -0.785 25850 10649 1 20 . 1 1 7 7 ASN CA C 7 55.007 55.007 55.900 -0.893 25850 10650 1 20 . 1 1 7 7 ASN CB C 7 36.627 36.627 38.185 -1.558 25850 10651 1 20 . 1 1 7 7 ASN H H 7 8.378 8.378 7.671 0.707 25850 10652 1 20 . 1 1 8 8 ILE N N 8 119.915 119.915 120.153 -0.238 25850 10653 1 20 . 1 1 8 8 ILE HA H 8 3.608 3.608 3.609 -0.001 25850 10654 1 20 . 1 1 8 8 ILE CA C 8 66.495 66.495 65.401 1.094 25850 10655 1 20 . 1 1 8 8 ILE CB C 8 37.558 37.558 37.662 -0.104 25850 10656 1 20 . 1 1 8 8 ILE H H 8 8.626 8.626 7.851 0.775 25850 10657 1 20 . 1 1 9 9 ALA N N 9 121.268 121.268 121.390 -0.122 25850 10658 1 20 . 1 1 9 9 ALA HA H 9 4.235 4.235 4.164 0.071 25850 10659 1 20 . 1 1 9 9 ALA C C 9 180.624 180.624 179.445 1.179 25850 10660 1 20 . 1 1 9 9 ALA CA C 9 54.922 54.922 54.769 0.153 25850 10661 1 20 . 1 1 9 9 ALA CB C 9 17.710 17.710 18.051 -0.341 25850 10662 1 20 . 1 1 9 9 ALA H H 9 7.597 7.597 7.431 0.166 25850 10663 1 20 . 1 1 10 10 LYS N N 10 118.798 118.798 118.916 -0.118 25850 10664 1 20 . 1 1 10 10 LYS HA H 10 4.011 4.011 4.022 -0.011 25850 10665 1 20 . 1 1 10 10 LYS C C 10 180.034 180.034 178.965 1.069 25850 10666 1 20 . 1 1 10 10 LYS CA C 10 59.264 59.264 59.079 0.185 25850 10667 1 20 . 1 1 10 10 LYS CB C 10 31.744 31.744 32.238 -0.494 25850 10668 1 20 . 1 1 10 10 LYS H H 10 7.569 7.569 7.261 0.308 25850 10669 1 20 . 1 1 11 11 PHE N N 11 121.394 121.394 117.774 3.620 25850 10670 1 20 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.332 0.396 25850 10671 1 20 . 1 1 11 11 PHE C C 11 178.445 178.445 178.485 -0.040 25850 10672 1 20 . 1 1 11 11 PHE CA C 11 59.549 59.549 59.181 0.367 25850 10673 1 20 . 1 1 11 11 PHE CB C 11 39.001 39.001 38.100 0.901 25850 10674 1 20 . 1 1 11 11 PHE H H 11 8.347 8.347 7.627 0.720 25850 10675 1 20 . 1 1 12 12 GLU N N 12 121.864 121.864 119.527 2.337 25850 10676 1 20 . 1 1 12 12 GLU HA H 12 4.127 4.127 4.166 -0.039 25850 10677 1 20 . 1 1 12 12 GLU C C 12 179.600 179.600 178.887 0.713 25850 10678 1 20 . 1 1 12 12 GLU CA C 12 59.803 59.803 59.401 0.402 25850 10679 1 20 . 1 1 12 12 GLU CB C 12 29.488 29.488 29.241 0.247 25850 10680 1 20 . 1 1 12 12 GLU H H 12 9.184 9.184 8.152 1.032 25850 10681 1 20 . 1 1 13 13 LYS N N 13 120.472 120.472 120.079 0.393 25850 10682 1 20 . 1 1 13 13 LYS HA H 13 4.127 4.127 4.147 -0.020 25850 10683 1 20 . 1 1 13 13 LYS C C 13 179.120 179.120 178.718 0.402 25850 10684 1 20 . 1 1 13 13 LYS CA C 13 59.308 59.308 58.941 0.367 25850 10685 1 20 . 1 1 13 13 LYS CB C 13 32.147 32.147 32.384 -0.237 25850 10686 1 20 . 1 1 13 13 LYS H H 13 7.800 7.800 7.694 0.106 25850 10687 1 20 . 1 1 14 14 ALA N N 14 122.753 122.753 120.939 1.814 25850 10688 1 20 . 1 1 14 14 ALA HA H 14 4.205 4.205 4.197 0.008 25850 10689 1 20 . 1 1 14 14 ALA C C 14 180.640 180.640 179.606 1.034 25850 10690 1 20 . 1 1 14 14 ALA CA C 14 54.756 54.756 54.710 0.046 25850 10691 1 20 . 1 1 14 14 ALA CB C 14 17.913 17.913 18.221 -0.308 25850 10692 1 20 . 1 1 14 14 ALA H H 14 8.001 8.001 7.844 0.157 25850 10693 1 20 . 1 1 15 15 TYR HA H 15 3.850 3.850 4.207 -0.357 25850 10694 1 20 . 1 1 15 15 TYR C C 15 175.898 175.898 177.352 -1.454 25850 10695 1 20 . 1 1 15 15 TYR CA C 15 62.008 62.008 60.783 1.225 25850 10696 1 20 . 1 1 15 15 TYR CB C 15 37.756 37.756 38.548 -0.792 25850 10697 1 20 . 1 1 15 15 TYR H H 15 8.906 8.906 7.944 0.962 25850 10698 1 20 . 1 1 16 16 LYS N N 16 119.082 119.082 117.857 1.225 25850 10699 1 20 . 1 1 16 16 LYS HA H 16 3.985 3.985 3.809 0.176 25850 10700 1 20 . 1 1 16 16 LYS C C 16 179.068 179.068 178.969 0.099 25850 10701 1 20 . 1 1 16 16 LYS CA C 16 58.622 58.622 57.867 0.755 25850 10702 1 20 . 1 1 16 16 LYS CB C 16 32.131 32.131 31.713 0.418 25850 10703 1 20 . 1 1 16 16 LYS H H 16 8.059 8.059 7.886 0.173 25850 10704 1 20 . 1 1 17 17 LYS N N 17 119.708 119.708 120.559 -0.851 25850 10705 1 20 . 1 1 17 17 LYS HA H 17 4.142 4.142 4.029 0.113 25850 10706 1 20 . 1 1 17 17 LYS CA C 17 57.951 57.951 58.733 -0.783 25850 10707 1 20 . 1 1 17 17 LYS CB C 17 31.802 31.802 31.962 -0.161 25850 10708 1 20 . 1 1 17 17 LYS H H 17 7.900 7.900 7.489 0.411 25850 10709 1 20 . 1 1 18 18 ALA N N 18 120.860 120.860 121.296 -0.436 25850 10710 1 20 . 1 1 18 18 ALA HA H 18 4.329 4.329 4.001 0.328 25850 10711 1 20 . 1 1 18 18 ALA C C 18 179.572 179.572 179.320 0.252 25850 10712 1 20 . 1 1 18 18 ALA CA C 18 54.110 54.110 55.203 -1.093 25850 10713 1 20 . 1 1 18 18 ALA CB C 18 18.782 18.782 18.125 0.657 25850 10714 1 20 . 1 1 18 18 ALA H H 18 7.854 7.854 7.914 -0.060 25850 10715 1 20 . 1 1 19 19 GLU N N 19 120.904 120.904 118.507 2.397 25850 10716 1 20 . 1 1 19 19 GLU HA H 19 4.240 4.240 3.923 0.317 25850 10717 1 20 . 1 1 19 19 GLU C C 19 180.268 180.268 179.340 0.928 25850 10718 1 20 . 1 1 19 19 GLU CA C 19 59.147 59.147 58.551 0.596 25850 10719 1 20 . 1 1 19 19 GLU CB C 19 29.889 29.889 29.452 0.437 25850 10720 1 20 . 1 1 19 19 GLU H H 19 8.690 8.690 7.994 0.696 25850 10721 1 20 . 1 1 20 20 GLU N N 20 120.868 120.868 120.847 0.021 25850 10722 1 20 . 1 1 20 20 GLU HA H 20 4.024 4.024 4.100 -0.076 25850 10723 1 20 . 1 1 20 20 GLU C C 20 177.975 177.975 178.157 -0.182 25850 10724 1 20 . 1 1 20 20 GLU CA C 20 58.935 58.935 58.971 -0.036 25850 10725 1 20 . 1 1 20 20 GLU CB C 20 29.549 29.549 29.520 0.029 25850 10726 1 20 . 1 1 20 20 GLU H H 20 7.898 7.898 7.789 0.109 25850 10727 1 20 . 1 1 21 21 LEU N N 21 116.701 116.701 116.517 0.184 25850 10728 1 20 . 1 1 21 21 LEU HA H 21 4.351 4.351 4.291 0.060 25850 10729 1 20 . 1 1 21 21 LEU C C 21 176.199 176.199 175.761 0.438 25850 10730 1 20 . 1 1 21 21 LEU CA C 21 54.158 54.158 54.709 -0.551 25850 10731 1 20 . 1 1 21 21 LEU CB C 21 41.776 41.776 42.270 -0.494 25850 10732 1 20 . 1 1 21 21 LEU H H 21 7.393 7.393 7.494 -0.101 25850 10733 1 20 . 1 1 22 22 ASN N N 22 118.557 118.557 114.250 4.307 25850 10734 1 20 . 1 1 22 22 ASN HA H 22 4.278 4.278 4.320 -0.042 25850 10735 1 20 . 1 1 22 22 ASN C C 22 174.436 174.436 174.591 -0.155 25850 10736 1 20 . 1 1 22 22 ASN CA C 22 54.104 54.104 54.244 -0.140 25850 10737 1 20 . 1 1 22 22 ASN CB C 22 37.364 37.364 36.461 0.903 25850 10738 1 20 . 1 1 22 22 ASN H H 22 7.994 7.994 7.686 0.308 25850 10739 1 20 . 1 1 23 23 GLN N N 23 118.344 118.344 118.310 0.034 25850 10740 1 20 . 1 1 23 23 GLN HA H 23 4.557 4.557 4.522 0.035 25850 10741 1 20 . 1 1 23 23 GLN C C 23 176.685 176.685 176.429 0.256 25850 10742 1 20 . 1 1 23 23 GLN CA C 23 53.983 53.983 54.556 -0.573 25850 10743 1 20 . 1 1 23 23 GLN CB C 23 27.770 27.770 26.970 0.800 25850 10744 1 20 . 1 1 23 23 GLN H H 23 8.378 8.378 7.976 0.402 25850 10745 1 20 . 1 1 24 24 GLY N N 24 113.071 113.071 111.778 1.293 25850 10746 1 20 . 1 1 24 24 GLY C C 24 175.286 175.286 175.273 0.013 25850 10747 1 20 . 1 1 24 24 GLY CA C 24 47.823 47.823 46.971 0.852 25850 10748 1 20 . 1 1 24 24 GLY H H 24 8.468 8.468 8.420 0.048 25850 10749 1 20 . 1 1 25 25 GLU N N 25 120.717 120.717 122.092 -1.375 25850 10750 1 20 . 1 1 25 25 GLU HA H 25 4.124 4.124 4.210 -0.086 25850 10751 1 20 . 1 1 25 25 GLU C C 25 176.495 176.495 178.455 -1.960 25850 10752 1 20 . 1 1 25 25 GLU CA C 25 59.621 59.621 58.927 0.694 25850 10753 1 20 . 1 1 25 25 GLU CB C 25 28.636 28.636 28.798 -0.162 25850 10754 1 20 . 1 1 25 25 GLU H H 25 9.067 9.067 8.244 0.823 25850 10755 1 20 . 1 1 26 26 LEU HA H 26 4.222 4.222 4.116 0.106 25850 10756 1 20 . 1 1 26 26 LEU C C 26 180.590 180.590 179.414 1.176 25850 10757 1 20 . 1 1 26 26 LEU CA C 26 56.882 56.882 57.180 -0.298 25850 10758 1 20 . 1 1 26 26 LEU CB C 26 41.231 41.231 41.926 -0.695 25850 10759 1 20 . 1 1 26 26 LEU H H 26 7.165 7.165 7.624 -0.459 25850 10760 1 20 . 1 1 27 27 MET N N 27 121.053 121.053 118.080 2.973 25850 10761 1 20 . 1 1 27 27 MET HA H 27 3.932 3.932 4.283 -0.351 25850 10762 1 20 . 1 1 27 27 MET CA C 27 59.980 59.980 59.850 0.130 25850 10763 1 20 . 1 1 27 27 MET CB C 27 34.537 34.537 32.332 2.205 25850 10764 1 20 . 1 1 27 27 MET H H 27 8.203 8.203 8.338 -0.135 25850 10765 1 20 . 1 1 28 28 GLY N N 28 106.038 106.038 106.681 -0.643 25850 10766 1 20 . 1 1 28 28 GLY C C 28 174.900 174.900 175.784 -0.884 25850 10767 1 20 . 1 1 28 28 GLY CA C 28 47.672 47.672 46.446 1.226 25850 10768 1 20 . 1 1 28 28 GLY H H 28 8.527 8.527 7.996 0.531 25850 10769 1 20 . 1 1 29 29 ARG N N 29 120.201 120.201 121.446 -1.245 25850 10770 1 20 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.233 -0.038 25850 10771 1 20 . 1 1 29 29 ARG C C 29 178.065 178.065 178.692 -0.627 25850 10772 1 20 . 1 1 29 29 ARG CA C 29 59.974 59.974 59.222 0.752 25850 10773 1 20 . 1 1 29 29 ARG CB C 29 30.416 30.416 30.243 0.173 25850 10774 1 20 . 1 1 29 29 ARG H H 29 8.224 8.224 8.046 0.178 25850 10775 1 20 . 1 1 30 30 ALA N N 30 121.394 121.394 123.443 -2.049 25850 10776 1 20 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.141 0.056 25850 10777 1 20 . 1 1 30 30 ALA C C 30 179.433 179.433 179.513 -0.080 25850 10778 1 20 . 1 1 30 30 ALA CA C 30 55.838 55.838 55.148 0.690 25850 10779 1 20 . 1 1 30 30 ALA CB C 30 18.269 18.269 18.340 -0.071 25850 10780 1 20 . 1 1 30 30 ALA H H 30 7.876 7.876 8.079 -0.203 25850 10781 1 20 . 1 1 31 31 LEU N N 31 116.122 116.122 118.476 -2.354 25850 10782 1 20 . 1 1 31 31 LEU HA H 31 4.003 4.003 3.860 0.143 25850 10783 1 20 . 1 1 31 31 LEU C C 31 178.416 178.416 178.978 -0.562 25850 10784 1 20 . 1 1 31 31 LEU CA C 31 57.921 57.921 57.473 0.448 25850 10785 1 20 . 1 1 31 31 LEU CB C 31 42.463 42.463 41.635 0.828 25850 10786 1 20 . 1 1 31 31 LEU H H 31 8.084 8.084 7.688 0.396 25850 10787 1 20 . 1 1 32 32 TYR N N 32 119.225 119.225 121.191 -1.966 25850 10788 1 20 . 1 1 32 32 TYR HA H 32 4.063 4.063 4.332 -0.269 25850 10789 1 20 . 1 1 32 32 TYR C C 32 176.310 176.310 177.537 -1.227 25850 10790 1 20 . 1 1 32 32 TYR CA C 32 61.992 61.992 62.263 -0.271 25850 10791 1 20 . 1 1 32 32 TYR CB C 32 38.659 38.659 38.571 0.088 25850 10792 1 20 . 1 1 32 32 TYR H H 32 8.562 8.562 8.537 0.025 25850 10793 1 20 . 1 1 33 33 ASN N N 33 116.880 116.880 117.379 -0.499 25850 10794 1 20 . 1 1 33 33 ASN HA H 33 4.068 4.068 4.242 -0.174 25850 10795 1 20 . 1 1 33 33 ASN C C 33 178.353 178.353 177.776 0.577 25850 10796 1 20 . 1 1 33 33 ASN CA C 33 55.858 55.858 56.226 -0.368 25850 10797 1 20 . 1 1 33 33 ASN CB C 33 35.968 35.968 37.642 -1.674 25850 10798 1 20 . 1 1 33 33 ASN H H 33 8.213 8.213 7.944 0.269 25850 10799 1 20 . 1 1 34 34 ILE N N 34 121.401 121.401 120.380 1.021 25850 10800 1 20 . 1 1 34 34 ILE HA H 34 3.300 3.300 3.596 -0.296 25850 10801 1 20 . 1 1 34 34 ILE C C 34 177.867 177.867 177.695 0.172 25850 10802 1 20 . 1 1 34 34 ILE CA C 34 66.528 66.528 65.623 0.905 25850 10803 1 20 . 1 1 34 34 ILE CB C 34 37.839 37.839 37.349 0.490 25850 10804 1 20 . 1 1 34 34 ILE H H 34 8.087 8.087 8.132 -0.045 25850 10805 1 20 . 1 1 35 35 GLY N N 35 107.275 107.275 107.310 -0.035 25850 10806 1 20 . 1 1 35 35 GLY C C 35 175.048 175.048 175.751 -0.703 25850 10807 1 20 . 1 1 35 35 GLY CA C 35 48.547 48.547 46.631 1.916 25850 10808 1 20 . 1 1 35 35 GLY H H 35 7.922 7.922 7.821 0.101 25850 10809 1 20 . 1 1 36 36 LEU N N 36 120.414 120.414 122.215 -1.801 25850 10810 1 20 . 1 1 36 36 LEU HA H 36 4.048 4.048 3.995 0.053 25850 10811 1 20 . 1 1 36 36 LEU C C 36 180.804 180.804 179.171 1.633 25850 10812 1 20 . 1 1 36 36 LEU CA C 36 58.063 58.063 57.895 0.168 25850 10813 1 20 . 1 1 36 36 LEU CB C 36 41.701 41.701 41.572 0.129 25850 10814 1 20 . 1 1 36 36 LEU H H 36 8.177 8.177 7.855 0.322 25850 10815 1 20 . 1 1 37 37 GLU N N 37 120.083 120.083 118.454 1.629 25850 10816 1 20 . 1 1 37 37 GLU HA H 37 4.075 4.075 4.073 0.002 25850 10817 1 20 . 1 1 37 37 GLU C C 37 179.517 179.517 179.390 0.127 25850 10818 1 20 . 1 1 37 37 GLU CA C 37 58.603 58.603 58.916 -0.313 25850 10819 1 20 . 1 1 37 37 GLU CB C 37 29.799 29.799 28.987 0.812 25850 10820 1 20 . 1 1 37 37 GLU H H 37 7.750 7.750 7.727 0.023 25850 10821 1 20 . 1 1 38 38 LYS N N 38 118.263 118.263 118.927 -0.664 25850 10822 1 20 . 1 1 38 38 LYS HA H 38 3.862 3.862 3.968 -0.106 25850 10823 1 20 . 1 1 38 38 LYS C C 38 179.253 179.253 178.745 0.508 25850 10824 1 20 . 1 1 38 38 LYS CA C 38 57.937 57.937 58.778 -0.841 25850 10825 1 20 . 1 1 38 38 LYS CB C 38 30.769 30.769 31.799 -1.030 25850 10826 1 20 . 1 1 38 38 LYS H H 38 8.550 8.550 7.943 0.607 25850 10827 1 20 . 1 1 39 39 ASN N N 39 118.329 118.329 117.627 0.702 25850 10828 1 20 . 1 1 39 39 ASN HA H 39 4.193 4.193 4.480 -0.287 25850 10829 1 20 . 1 1 39 39 ASN C C 39 179.428 179.428 178.188 1.240 25850 10830 1 20 . 1 1 39 39 ASN CA C 39 56.177 56.177 55.983 0.194 25850 10831 1 20 . 1 1 39 39 ASN CB C 39 38.478 38.478 38.554 -0.076 25850 10832 1 20 . 1 1 39 39 ASN H H 39 8.294 8.294 8.176 0.118 25850 10833 1 20 . 1 1 40 40 LYS N N 40 121.176 121.176 119.184 1.992 25850 10834 1 20 . 1 1 40 40 LYS HA H 40 4.047 4.047 4.219 -0.172 25850 10835 1 20 . 1 1 40 40 LYS C C 40 178.229 178.229 178.255 -0.026 25850 10836 1 20 . 1 1 40 40 LYS CA C 40 59.471 59.471 58.638 0.833 25850 10837 1 20 . 1 1 40 40 LYS CB C 40 32.427 32.427 32.074 0.353 25850 10838 1 20 . 1 1 40 40 LYS H H 40 7.912 7.912 7.836 0.076 25850 10839 1 20 . 1 1 41 41 MET N N 41 114.548 114.548 116.518 -1.970 25850 10840 1 20 . 1 1 41 41 MET HA H 41 4.512 4.512 4.380 0.132 25850 10841 1 20 . 1 1 41 41 MET C C 41 175.915 175.915 176.648 -0.733 25850 10842 1 20 . 1 1 41 41 MET CA C 41 55.529 55.529 56.088 -0.559 25850 10843 1 20 . 1 1 41 41 MET CB C 41 34.022 34.022 32.934 1.088 25850 10844 1 20 . 1 1 41 41 MET H H 41 7.389 7.389 7.614 -0.225 25850 10845 1 20 . 1 1 42 42 GLY N N 42 107.409 107.409 105.963 1.446 25850 10846 1 20 . 1 1 42 42 GLY C C 42 175.041 175.041 175.103 -0.062 25850 10847 1 20 . 1 1 42 42 GLY CA C 42 45.335 45.335 45.171 0.164 25850 10848 1 20 . 1 1 42 42 GLY H H 42 7.929 7.929 7.618 0.311 25850 10849 1 20 . 1 1 43 43 LYS N N 43 124.326 124.326 122.325 2.001 25850 10850 1 20 . 1 1 43 43 LYS HA H 43 4.684 4.684 4.460 0.224 25850 10851 1 20 . 1 1 43 43 LYS C C 43 176.514 176.514 176.023 0.491 25850 10852 1 20 . 1 1 43 43 LYS CA C 43 53.791 53.791 55.148 -1.357 25850 10853 1 20 . 1 1 43 43 LYS CB C 43 30.065 30.065 30.759 -0.694 25850 10854 1 20 . 1 1 43 43 LYS H H 43 8.040 8.040 8.013 0.027 25850 10855 1 20 . 1 1 44 44 VAL N N 44 121.020 121.020 121.555 -0.535 25850 10856 1 20 . 1 1 44 44 VAL HA H 44 3.580 3.580 3.544 0.036 25850 10857 1 20 . 1 1 44 44 VAL C C 44 177.096 177.096 177.445 -0.349 25850 10858 1 20 . 1 1 44 44 VAL CA C 44 66.166 66.166 66.906 -0.740 25850 10859 1 20 . 1 1 44 44 VAL CB C 44 31.869 31.869 31.890 -0.021 25850 10860 1 20 . 1 1 44 44 VAL H H 44 7.439 7.439 7.705 -0.266 25850 10861 1 20 . 1 1 45 45 LYS N N 45 119.164 119.164 119.811 -0.647 25850 10862 1 20 . 1 1 45 45 LYS HA H 45 3.950 3.950 3.877 0.073 25850 10863 1 20 . 1 1 45 45 LYS C C 45 179.726 179.726 178.741 0.985 25850 10864 1 20 . 1 1 45 45 LYS CA C 45 60.153 60.153 60.429 -0.276 25850 10865 1 20 . 1 1 45 45 LYS CB C 45 31.446 31.446 31.648 -0.202 25850 10866 1 20 . 1 1 45 45 LYS H H 45 8.427 8.427 8.480 -0.053 25850 10867 1 20 . 1 1 46 46 GLU N N 46 118.446 118.446 118.569 -0.123 25850 10868 1 20 . 1 1 46 46 GLU HA H 46 4.092 4.092 4.267 -0.175 25850 10869 1 20 . 1 1 46 46 GLU C C 46 178.490 178.490 178.897 -0.407 25850 10870 1 20 . 1 1 46 46 GLU CA C 46 59.327 59.327 59.271 0.056 25850 10871 1 20 . 1 1 46 46 GLU CB C 46 29.764 29.764 29.120 0.644 25850 10872 1 20 . 1 1 46 46 GLU H H 46 7.867 7.867 8.381 -0.514 25850 10873 1 20 . 1 1 47 47 ALA N N 47 122.279 122.279 123.141 -0.862 25850 10874 1 20 . 1 1 47 47 ALA HA H 47 3.513 3.513 3.791 -0.278 25850 10875 1 20 . 1 1 47 47 ALA C C 47 178.065 178.065 179.211 -1.146 25850 10876 1 20 . 1 1 47 47 ALA CA C 47 55.905 55.905 55.094 0.811 25850 10877 1 20 . 1 1 47 47 ALA CB C 47 18.256 18.256 18.252 0.004 25850 10878 1 20 . 1 1 47 47 ALA H H 47 8.315 8.315 7.929 0.386 25850 10879 1 20 . 1 1 48 48 ILE N N 48 115.863 115.863 117.946 -2.083 25850 10880 1 20 . 1 1 48 48 ILE HA H 48 3.401 3.401 3.545 -0.144 25850 10881 1 20 . 1 1 48 48 ILE C C 48 176.808 176.808 177.930 -1.122 25850 10882 1 20 . 1 1 48 48 ILE CA C 48 66.282 66.282 65.915 0.367 25850 10883 1 20 . 1 1 48 48 ILE CB C 48 38.375 38.375 37.760 0.615 25850 10884 1 20 . 1 1 48 48 ILE H H 48 8.077 8.077 8.179 -0.102 25850 10885 1 20 . 1 1 49 49 GLU N N 49 116.853 116.853 118.801 -1.948 25850 10886 1 20 . 1 1 49 49 GLU HA H 49 3.920 3.920 3.886 0.034 25850 10887 1 20 . 1 1 49 49 GLU C C 49 179.914 179.914 179.028 0.886 25850 10888 1 20 . 1 1 49 49 GLU CA C 49 59.535 59.535 59.673 -0.138 25850 10889 1 20 . 1 1 49 49 GLU CB C 49 28.995 28.995 29.107 -0.112 25850 10890 1 20 . 1 1 49 49 GLU H H 49 7.175 7.175 7.726 -0.551 25850 10891 1 20 . 1 1 50 50 TYR N N 50 117.578 117.578 119.348 -1.770 25850 10892 1 20 . 1 1 50 50 TYR HA H 50 3.774 3.774 4.161 -0.387 25850 10893 1 20 . 1 1 50 50 TYR C C 50 178.462 178.462 178.251 0.211 25850 10894 1 20 . 1 1 50 50 TYR CA C 50 64.368 64.368 61.328 3.040 25850 10895 1 20 . 1 1 50 50 TYR CB C 50 37.345 37.345 38.104 -0.759 25850 10896 1 20 . 1 1 50 50 TYR H H 50 7.676 7.676 7.672 0.004 25850 10897 1 20 . 1 1 51 51 PHE N N 51 119.480 119.480 118.096 1.384 25850 10898 1 20 . 1 1 51 51 PHE HA H 51 4.711 4.711 4.450 0.261 25850 10899 1 20 . 1 1 51 51 PHE C C 51 178.720 178.720 178.067 0.653 25850 10900 1 20 . 1 1 51 51 PHE CA C 51 58.958 58.958 60.233 -1.275 25850 10901 1 20 . 1 1 51 51 PHE CB C 51 37.771 37.771 38.084 -0.313 25850 10902 1 20 . 1 1 51 51 PHE H H 51 9.013 9.013 8.337 0.676 25850 10903 1 20 . 1 1 52 52 LEU N N 52 120.365 120.365 120.828 -0.463 25850 10904 1 20 . 1 1 52 52 LEU HA H 52 4.093 4.093 3.977 0.116 25850 10905 1 20 . 1 1 52 52 LEU C C 52 180.229 180.229 179.006 1.223 25850 10906 1 20 . 1 1 52 52 LEU CA C 52 58.252 58.252 58.557 -0.305 25850 10907 1 20 . 1 1 52 52 LEU CB C 52 42.160 42.160 41.536 0.624 25850 10908 1 20 . 1 1 52 52 LEU H H 52 8.906 8.906 8.510 0.396 25850 10909 1 20 . 1 1 53 53 ARG N N 53 119.294 119.294 118.798 0.496 25850 10910 1 20 . 1 1 53 53 ARG HA H 53 3.929 3.929 3.943 -0.014 25850 10911 1 20 . 1 1 53 53 ARG C C 53 179.087 179.087 178.480 0.607 25850 10912 1 20 . 1 1 53 53 ARG CA C 53 59.580 59.580 59.709 -0.129 25850 10913 1 20 . 1 1 53 53 ARG CB C 53 31.418 31.418 29.904 1.514 25850 10914 1 20 . 1 1 53 53 ARG H H 53 7.846 7.846 8.279 -0.433 25850 10915 1 20 . 1 1 54 54 ALA N N 54 121.351 121.351 122.074 -0.723 25850 10916 1 20 . 1 1 54 54 ALA HA H 54 3.693 3.693 3.832 -0.139 25850 10917 1 20 . 1 1 54 54 ALA C C 54 177.631 177.631 179.135 -1.504 25850 10918 1 20 . 1 1 54 54 ALA CA C 54 55.115 55.115 55.582 -0.467 25850 10919 1 20 . 1 1 54 54 ALA CB C 54 17.612 17.612 18.330 -0.718 25850 10920 1 20 . 1 1 54 54 ALA H H 54 8.892 8.892 8.211 0.681 25850 10921 1 20 . 1 1 55 55 LYS N N 55 117.135 117.135 118.527 -1.392 25850 10922 1 20 . 1 1 55 55 LYS HA H 55 3.835 3.835 4.337 -0.502 25850 10923 1 20 . 1 1 55 55 LYS C C 55 176.970 176.970 178.857 -1.887 25850 10924 1 20 . 1 1 55 55 LYS CA C 55 60.725 60.725 59.162 1.563 25850 10925 1 20 . 1 1 55 55 LYS CB C 55 32.602 32.602 32.331 0.271 25850 10926 1 20 . 1 1 55 55 LYS H H 55 8.626 8.626 8.089 0.537 25850 10927 1 20 . 1 1 56 56 LYS N N 56 116.695 116.695 120.134 -3.439 25850 10928 1 20 . 1 1 56 56 LYS HA H 56 4.171 4.171 4.103 0.068 25850 10929 1 20 . 1 1 56 56 LYS C C 56 180.037 180.037 179.003 1.034 25850 10930 1 20 . 1 1 56 56 LYS CA C 56 59.606 59.606 59.700 -0.094 25850 10931 1 20 . 1 1 56 56 LYS CB C 56 32.349 32.349 32.364 -0.015 25850 10932 1 20 . 1 1 56 56 LYS H H 56 7.652 7.652 7.898 -0.246 25850 10933 1 20 . 1 1 57 57 VAL N N 57 120.809 120.809 119.205 1.604 25850 10934 1 20 . 1 1 57 57 VAL HA H 57 3.753 3.753 3.686 0.067 25850 10935 1 20 . 1 1 57 57 VAL C C 57 178.174 178.174 178.160 0.014 25850 10936 1 20 . 1 1 57 57 VAL CA C 57 66.226 66.226 66.400 -0.173 25850 10937 1 20 . 1 1 57 57 VAL CB C 57 31.424 31.424 31.399 0.025 25850 10938 1 20 . 1 1 57 57 VAL H H 57 7.583 7.583 7.818 -0.235 25850 10939 1 20 . 1 1 58 58 PHE N N 58 118.864 118.864 119.054 -0.190 25850 10940 1 20 . 1 1 58 58 PHE HA H 58 4.521 4.521 4.069 0.452 25850 10941 1 20 . 1 1 58 58 PHE C C 58 179.187 179.187 177.727 1.460 25850 10942 1 20 . 1 1 58 58 PHE CA C 58 59.849 59.849 61.515 -1.666 25850 10943 1 20 . 1 1 58 58 PHE CB C 58 37.753 37.753 37.926 -0.173 25850 10944 1 20 . 1 1 58 58 PHE H H 58 8.871 8.871 8.196 0.675 25850 10945 1 20 . 1 1 59 59 ASP N N 59 119.714 119.714 119.583 0.131 25850 10946 1 20 . 1 1 59 59 ASP HA H 59 4.444 4.444 4.368 0.076 25850 10947 1 20 . 1 1 59 59 ASP C C 59 180.066 180.066 178.433 1.633 25850 10948 1 20 . 1 1 59 59 ASP CA C 59 57.201 57.201 57.281 -0.080 25850 10949 1 20 . 1 1 59 59 ASP CB C 59 39.713 39.713 40.848 -1.135 25850 10950 1 20 . 1 1 59 59 ASP H H 59 9.157 9.157 8.167 0.990 25850 10951 1 20 . 1 1 60 60 ALA N N 60 124.290 124.290 121.083 3.207 25850 10952 1 20 . 1 1 60 60 ALA HA H 60 4.087 4.087 3.977 0.110 25850 10953 1 20 . 1 1 60 60 ALA C C 60 179.389 179.389 179.123 0.266 25850 10954 1 20 . 1 1 60 60 ALA CA C 60 54.760 54.760 54.144 0.616 25850 10955 1 20 . 1 1 60 60 ALA CB C 60 18.025 18.025 18.586 -0.561 25850 10956 1 20 . 1 1 60 60 ALA H H 60 7.742 7.742 7.728 0.014 25850 10957 1 20 . 1 1 61 61 GLU N N 61 114.493 114.493 115.440 -0.947 25850 10958 1 20 . 1 1 61 61 GLU HA H 61 4.259 4.259 4.115 0.144 25850 10959 1 20 . 1 1 61 61 GLU C C 61 175.970 175.970 175.873 0.097 25850 10960 1 20 . 1 1 61 61 GLU CA C 61 55.049 55.049 56.349 -1.300 25850 10961 1 20 . 1 1 61 61 GLU CB C 61 29.724 29.724 29.838 -0.114 25850 10962 1 20 . 1 1 61 61 GLU H H 61 7.908 7.908 7.704 0.204 25850 10963 1 20 . 1 1 62 62 HIS N N 62 115.130 115.130 113.030 2.100 25850 10964 1 20 . 1 1 62 62 HIS HA H 62 4.264 4.264 4.371 -0.107 25850 10965 1 20 . 1 1 62 62 HIS C C 62 173.916 173.916 174.320 -0.404 25850 10966 1 20 . 1 1 62 62 HIS CA C 62 56.531 56.531 56.820 -0.289 25850 10967 1 20 . 1 1 62 62 HIS CB C 62 26.039 26.039 27.295 -1.256 25850 10968 1 20 . 1 1 62 62 HIS H H 62 7.830 7.830 7.200 0.630 25850 10969 1 20 . 1 1 63 63 ASP N N 63 118.507 118.507 120.235 -1.728 25850 10970 1 20 . 1 1 63 63 ASP HA H 63 4.854 4.854 4.835 0.019 25850 10971 1 20 . 1 1 63 63 ASP C C 63 176.143 176.143 176.456 -0.313 25850 10972 1 20 . 1 1 63 63 ASP CA C 63 52.127 52.127 52.601 -0.474 25850 10973 1 20 . 1 1 63 63 ASP CB C 63 40.068 40.068 41.039 -0.971 25850 10974 1 20 . 1 1 63 63 ASP H H 63 8.521 8.521 8.035 0.486 25850 10975 1 20 . 1 1 64 64 THR N N 64 119.037 119.037 121.324 -2.287 25850 10976 1 20 . 1 1 64 64 THR HA H 64 3.869 3.869 4.112 -0.243 25850 10977 1 20 . 1 1 64 64 THR C C 64 176.814 176.814 175.569 1.245 25850 10978 1 20 . 1 1 64 64 THR CA C 64 65.198 65.198 64.745 0.453 25850 10979 1 20 . 1 1 64 64 THR CB C 64 68.315 68.315 69.077 -0.762 25850 10980 1 20 . 1 1 64 64 THR H H 64 7.907 7.907 8.234 -0.327 25850 10981 1 20 . 1 1 65 65 ASP N N 65 122.892 122.892 120.622 2.270 25850 10982 1 20 . 1 1 65 65 ASP HA H 65 4.287 4.287 4.441 -0.154 25850 10983 1 20 . 1 1 65 65 ASP C C 65 178.326 178.326 178.241 0.085 25850 10984 1 20 . 1 1 65 65 ASP CA C 65 57.350 57.350 57.406 -0.056 25850 10985 1 20 . 1 1 65 65 ASP CB C 65 41.121 41.121 40.528 0.593 25850 10986 1 20 . 1 1 65 65 ASP H H 65 8.375 8.375 7.865 0.510 25850 10987 1 20 . 1 1 66 66 GLY N N 66 109.334 109.334 106.668 2.666 25850 10988 1 20 . 1 1 66 66 GLY C C 66 175.861 175.861 175.102 0.759 25850 10989 1 20 . 1 1 66 66 GLY CA C 66 46.136 46.136 45.826 0.310 25850 10990 1 20 . 1 1 66 66 GLY H H 66 8.234 8.234 7.548 0.686 25850 10991 1 20 . 1 1 67 67 ALA N N 67 122.888 122.888 125.315 -2.427 25850 10992 1 20 . 1 1 67 67 ALA HA H 67 3.892 3.892 4.041 -0.149 25850 10993 1 20 . 1 1 67 67 ALA C C 67 179.384 179.384 179.051 0.333 25850 10994 1 20 . 1 1 67 67 ALA CA C 67 55.960 55.960 54.990 0.970 25850 10995 1 20 . 1 1 67 67 ALA CB C 67 18.611 18.611 18.689 -0.078 25850 10996 1 20 . 1 1 67 67 ALA H H 67 7.949 7.949 7.583 0.366 25850 10997 1 20 . 1 1 68 68 ARG N N 68 118.221 118.221 117.640 0.581 25850 10998 1 20 . 1 1 68 68 ARG HA H 68 3.993 3.993 4.019 -0.026 25850 10999 1 20 . 1 1 68 68 ARG C C 68 179.355 179.355 178.477 0.878 25850 11000 1 20 . 1 1 68 68 ARG CA C 68 59.234 59.234 58.894 0.340 25850 11001 1 20 . 1 1 68 68 ARG CB C 68 29.799 29.799 29.710 0.089 25850 11002 1 20 . 1 1 68 68 ARG H H 68 7.917 7.917 8.254 -0.337 25850 11003 1 20 . 1 1 69 69 ARG N N 69 120.551 120.551 120.204 0.347 25850 11004 1 20 . 1 1 69 69 ARG HA H 69 3.923 3.923 4.053 -0.130 25850 11005 1 20 . 1 1 69 69 ARG C C 69 179.120 179.120 177.941 1.179 25850 11006 1 20 . 1 1 69 69 ARG CA C 69 59.310 59.310 58.953 0.357 25850 11007 1 20 . 1 1 69 69 ARG CB C 69 29.189 29.189 30.053 -0.864 25850 11008 1 20 . 1 1 69 69 ARG H H 69 7.749 7.749 7.295 0.454 25850 11009 1 20 . 1 1 70 70 ALA N N 70 121.098 121.098 120.988 0.110 25850 11010 1 20 . 1 1 70 70 ALA HA H 70 4.016 4.016 4.316 -0.300 25850 11011 1 20 . 1 1 70 70 ALA C C 70 178.438 178.438 179.401 -0.963 25850 11012 1 20 . 1 1 70 70 ALA CA C 70 55.536 55.536 54.807 0.729 25850 11013 1 20 . 1 1 70 70 ALA CB C 70 17.216 17.216 18.651 -1.435 25850 11014 1 20 . 1 1 70 70 ALA H H 70 8.245 8.245 7.817 0.428 25850 11015 1 20 . 1 1 71 71 ALA N N 71 119.333 119.333 120.631 -1.298 25850 11016 1 20 . 1 1 71 71 ALA HA H 71 4.047 4.047 4.112 -0.065 25850 11017 1 20 . 1 1 71 71 ALA C C 71 180.219 180.219 179.266 0.953 25850 11018 1 20 . 1 1 71 71 ALA CA C 71 55.083 55.083 54.939 0.144 25850 11019 1 20 . 1 1 71 71 ALA CB C 71 18.198 18.198 18.235 -0.037 25850 11020 1 20 . 1 1 71 71 ALA H H 71 8.565 8.565 8.375 0.190 25850 11021 1 20 . 1 1 72 72 LYS N N 72 121.188 121.188 119.297 1.891 25850 11022 1 20 . 1 1 72 72 LYS HA H 72 4.107 4.107 4.022 0.085 25850 11023 1 20 . 1 1 72 72 LYS C C 72 179.155 179.155 178.722 0.433 25850 11024 1 20 . 1 1 72 72 LYS CA C 72 59.271 59.271 59.450 -0.179 25850 11025 1 20 . 1 1 72 72 LYS CB C 72 31.786 31.786 32.360 -0.574 25850 11026 1 20 . 1 1 72 72 LYS H H 72 8.108 8.108 7.718 0.390 25850 11027 1 20 . 1 1 73 73 SER N N 73 116.976 116.976 115.459 1.517 25850 11028 1 20 . 1 1 73 73 SER HA H 73 3.957 3.957 4.258 -0.301 25850 11029 1 20 . 1 1 73 73 SER C C 73 176.394 176.394 176.680 -0.286 25850 11030 1 20 . 1 1 73 73 SER CA C 73 62.753 62.753 61.226 1.527 25850 11031 1 20 . 1 1 73 73 SER CB C 73 60.718 60.718 62.009 -1.291 25850 11032 1 20 . 1 1 73 73 SER H H 73 8.057 8.057 7.730 0.327 25850 11033 1 20 . 1 1 74 74 LEU N N 74 123.741 123.741 122.873 0.868 25850 11034 1 20 . 1 1 74 74 LEU HA H 74 3.831 3.831 3.898 -0.067 25850 11035 1 20 . 1 1 74 74 LEU C C 74 176.704 176.704 178.565 -1.861 25850 11036 1 20 . 1 1 74 74 LEU CA C 74 58.545 58.545 58.433 0.112 25850 11037 1 20 . 1 1 74 74 LEU CB C 74 41.862 41.862 41.786 0.076 25850 11038 1 20 . 1 1 74 74 LEU H H 74 8.341 8.341 7.783 0.558 25850 11039 1 20 . 1 1 75 75 SER N N 75 113.508 113.508 113.900 -0.392 25850 11040 1 20 . 1 1 75 75 SER HA H 75 4.277 4.277 4.316 -0.039 25850 11041 1 20 . 1 1 75 75 SER C C 75 177.668 177.668 176.744 0.924 25850 11042 1 20 . 1 1 75 75 SER CA C 75 61.926 61.926 61.508 0.417 25850 11043 1 20 . 1 1 75 75 SER CB C 75 62.702 62.702 63.055 -0.353 25850 11044 1 20 . 1 1 75 75 SER H H 75 8.055 8.055 7.987 0.068 25850 11045 1 20 . 1 1 76 76 GLU N N 76 119.999 119.999 120.366 -0.367 25850 11046 1 20 . 1 1 76 76 GLU HA H 76 4.041 4.041 4.110 -0.069 25850 11047 1 20 . 1 1 76 76 GLU C C 76 178.836 178.836 178.255 0.581 25850 11048 1 20 . 1 1 76 76 GLU CA C 76 58.928 58.928 58.766 0.162 25850 11049 1 20 . 1 1 76 76 GLU CB C 76 29.684 29.684 29.660 0.024 25850 11050 1 20 . 1 1 76 76 GLU H H 76 7.874 7.874 8.001 -0.127 25850 11051 1 20 . 1 1 77 77 ALA N N 77 123.551 123.551 121.910 1.641 25850 11052 1 20 . 1 1 77 77 ALA HA H 77 4.242 4.242 4.164 0.078 25850 11053 1 20 . 1 1 77 77 ALA C C 77 180.005 180.005 179.830 0.175 25850 11054 1 20 . 1 1 77 77 ALA CA C 77 55.031 55.031 54.417 0.614 25850 11055 1 20 . 1 1 77 77 ALA CB C 77 18.237 18.237 18.844 -0.607 25850 11056 1 20 . 1 1 77 77 ALA H H 77 8.043 8.043 7.450 0.593 25850 11057 1 20 . 1 1 78 78 TYR N N 78 116.371 116.371 117.444 -1.073 25850 11058 1 20 . 1 1 78 78 TYR HA H 78 4.418 4.418 4.213 0.205 25850 11059 1 20 . 1 1 78 78 TYR C C 78 178.901 178.901 178.115 0.786 25850 11060 1 20 . 1 1 78 78 TYR CA C 78 60.302 60.302 60.797 -0.495 25850 11061 1 20 . 1 1 78 78 TYR CB C 78 37.416 37.416 37.518 -0.102 25850 11062 1 20 . 1 1 78 78 TYR H H 78 8.699 8.699 8.415 0.284 25850 11063 1 20 . 1 1 79 79 GLN N N 79 116.649 116.649 118.448 -1.799 25850 11064 1 20 . 1 1 79 79 GLN HA H 79 4.212 4.212 4.073 0.139 25850 11065 1 20 . 1 1 79 79 GLN C C 79 177.778 177.778 178.344 -0.566 25850 11066 1 20 . 1 1 79 79 GLN CA C 79 57.922 57.922 58.839 -0.917 25850 11067 1 20 . 1 1 79 79 GLN CB C 79 28.659 28.659 28.102 0.557 25850 11068 1 20 . 1 1 79 79 GLN H H 79 7.667 7.667 8.125 -0.458 25850 11069 1 20 . 1 1 80 80 LYS N N 80 118.855 118.855 117.961 0.894 25850 11070 1 20 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.232 0.061 25850 11071 1 20 . 1 1 80 80 LYS C C 80 178.038 178.038 177.988 0.050 25850 11072 1 20 . 1 1 80 80 LYS CA C 80 57.474 57.474 57.993 -0.519 25850 11073 1 20 . 1 1 80 80 LYS CB C 80 32.816 32.816 32.420 0.396 25850 11074 1 20 . 1 1 80 80 LYS H H 80 7.766 7.766 7.751 0.015 25850 11075 1 20 . 1 1 81 81 VAL N N 81 117.863 117.863 118.070 -0.207 25850 11076 1 20 . 1 1 81 81 VAL HA H 81 4.076 4.076 4.052 0.024 25850 11077 1 20 . 1 1 81 81 VAL C C 81 176.805 176.805 177.554 -0.749 25850 11078 1 20 . 1 1 81 81 VAL CA C 81 63.409 63.409 64.701 -1.292 25850 11079 1 20 . 1 1 81 81 VAL CB C 81 32.423 32.423 32.614 -0.191 25850 11080 1 20 . 1 1 81 81 VAL H H 81 7.821 7.821 7.363 0.458 25850 11081 1 20 . 1 1 82 82 GLU N N 82 122.552 122.552 118.269 4.283 25850 11082 1 20 . 1 1 82 82 GLU HA H 82 4.277 4.277 4.543 -0.266 25850 11083 1 20 . 1 1 82 82 GLU C C 82 177.559 177.559 177.771 -0.212 25850 11084 1 20 . 1 1 82 82 GLU CA C 82 57.300 57.300 56.423 0.877 25850 11085 1 20 . 1 1 82 82 GLU CB C 82 29.927 29.927 29.818 0.109 25850 11086 1 20 . 1 1 82 82 GLU H H 82 8.329 8.329 8.252 0.078 25850 11087 1 20 . 1 1 83 83 GLY N N 83 109.040 109.040 108.476 0.564 25850 11088 1 20 . 1 1 83 83 GLY C C 83 174.590 174.590 174.915 -0.325 25850 11089 1 20 . 1 1 83 83 GLY CA C 83 45.530 45.530 45.678 -0.148 25850 11090 1 20 . 1 1 83 83 GLY H H 83 8.309 8.309 8.357 -0.048 25850 11091 1 20 . 1 1 84 84 SER N N 84 115.258 115.258 115.317 -0.059 25850 11092 1 20 . 1 1 84 84 SER HA H 84 4.495 4.495 4.124 0.371 25850 11093 1 20 . 1 1 84 84 SER C C 84 175.217 175.217 175.184 0.033 25850 11094 1 20 . 1 1 84 84 SER CA C 84 58.580 58.580 59.957 -1.377 25850 11095 1 20 . 1 1 84 84 SER CB C 84 63.827 63.827 61.981 1.846 25850 11096 1 20 . 1 1 84 84 SER H H 84 8.180 8.180 8.276 -0.096 25850 11097 1 20 . 1 1 85 85 GLY N N 85 110.681 110.681 109.995 0.686 25850 11098 1 20 . 1 1 85 85 GLY C C 85 174.063 174.063 173.938 0.125 25850 11099 1 20 . 1 1 85 85 GLY CA C 85 45.395 45.395 44.615 0.780 25850 11100 1 20 . 1 1 85 85 GLY H H 85 8.472 8.472 8.054 0.418 25850 11101 1 20 . 1 1 86 86 ASP N N 86 120.537 120.537 123.374 -2.837 25850 11102 1 20 . 1 1 86 86 ASP HA H 86 4.597 4.597 4.292 0.305 25850 11103 1 20 . 1 1 86 86 ASP C C 86 176.761 176.761 177.158 -0.397 25850 11104 1 20 . 1 1 86 86 ASP CA C 86 54.451 54.451 55.717 -1.266 25850 11105 1 20 . 1 1 86 86 ASP CB C 86 41.069 41.069 41.325 -0.256 25850 11106 1 20 . 1 1 86 86 ASP H H 86 8.272 8.272 8.524 -0.252 25850 11107 1 20 . 1 1 87 87 LYS N N 87 121.608 121.608 117.668 3.940 25850 11108 1 20 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.095 0.151 25850 11109 1 20 . 1 1 87 87 LYS C C 87 177.342 177.342 177.306 0.036 25850 11110 1 20 . 1 1 87 87 LYS CA C 87 56.545 56.545 56.997 -0.452 25850 11111 1 20 . 1 1 87 87 LYS CB C 87 32.302 32.302 32.103 0.199 25850 11112 1 20 . 1 1 87 87 LYS H H 87 8.344 8.344 8.053 0.291 25850 11113 1 20 . 1 1 88 88 GLY N N 88 108.711 108.711 107.817 0.894 25850 11114 1 20 . 1 1 88 88 GLY C C 88 174.216 174.216 174.055 0.161 25850 11115 1 20 . 1 1 88 88 GLY CA C 88 45.339 45.339 45.165 0.174 25850 11116 1 20 . 1 1 88 88 GLY H H 88 8.449 8.449 8.583 -0.134 25850 11117 1 20 . 1 1 89 89 LYS N N 89 120.508 120.508 122.001 -1.493 25850 11118 1 20 . 1 1 89 89 LYS HA H 89 4.266 4.266 4.456 -0.190 25850 11119 1 20 . 1 1 89 89 LYS C C 89 176.464 176.464 176.569 -0.105 25850 11120 1 20 . 1 1 89 89 LYS CA C 89 56.214 56.214 55.856 0.358 25850 11121 1 20 . 1 1 89 89 LYS CB C 89 32.824 32.824 33.277 -0.453 25850 11122 1 20 . 1 1 89 89 LYS H H 89 7.958 7.958 7.863 0.095 25850 11123 1 20 . 1 1 90 90 ILE N N 90 121.127 121.127 119.538 1.589 25850 11124 1 20 . 1 1 90 90 ILE HA H 90 4.091 4.091 3.929 0.162 25850 11125 1 20 . 1 1 90 90 ILE C C 90 175.896 175.896 174.799 1.097 25850 11126 1 20 . 1 1 90 90 ILE CA C 90 61.022 61.022 61.514 -0.492 25850 11127 1 20 . 1 1 90 90 ILE CB C 90 38.488 38.488 37.081 1.407 25850 11128 1 20 . 1 1 90 90 ILE H H 90 8.005 8.005 8.235 -0.230 25850 11129 1 20 . 1 1 91 91 PHE N N 91 123.843 123.843 124.268 -0.425 25850 11130 1 20 . 1 1 91 91 PHE HA H 91 4.615 4.615 4.769 -0.154 25850 11131 1 20 . 1 1 91 91 PHE C C 91 175.327 175.327 175.693 -0.366 25850 11132 1 20 . 1 1 91 91 PHE CA C 91 57.565 57.565 57.426 0.139 25850 11133 1 20 . 1 1 91 91 PHE CB C 91 39.457 39.457 40.255 -0.798 25850 11134 1 20 . 1 1 91 91 PHE H H 91 8.283 8.283 8.021 0.262 25850 11135 1 20 . 1 1 92 92 GLN N N 92 122.349 122.349 124.771 -2.422 25850 11136 1 20 . 1 1 92 92 GLN HA H 92 4.296 4.296 4.256 0.040 25850 11137 1 20 . 1 1 92 92 GLN C C 92 175.338 175.338 174.286 1.052 25850 11138 1 20 . 1 1 92 92 GLN CA C 92 55.492 55.492 54.934 0.558 25850 11139 1 20 . 1 1 92 92 GLN CB C 92 29.708 29.708 29.893 -0.185 25850 11140 1 20 . 1 1 92 92 GLN H H 92 8.212 8.212 7.860 0.352 25850 11141 1 20 . 1 1 93 93 LYS N N 93 123.137 123.137 119.459 3.678 25850 11142 1 20 . 1 1 93 93 LYS HA H 93 4.250 4.250 4.277 -0.027 25850 11143 1 20 . 1 1 93 93 LYS C C 93 176.492 176.492 176.586 -0.094 25850 11144 1 20 . 1 1 93 93 LYS CA C 93 56.272 56.272 56.176 0.096 25850 11145 1 20 . 1 1 93 93 LYS CB C 93 33.055 33.055 33.054 0.001 25850 11146 1 20 . 1 1 93 93 LYS H H 93 8.364 8.364 8.223 0.141 25850 11147 1 20 . 1 1 94 94 GLU N N 94 122.671 122.671 123.785 -1.114 25850 11148 1 20 . 1 1 94 94 GLU HA H 94 4.246 4.246 4.370 -0.124 25850 11149 1 20 . 1 1 94 94 GLU C C 94 177.008 177.008 176.675 0.333 25850 11150 1 20 . 1 1 94 94 GLU CA C 94 56.848 56.848 55.486 1.362 25850 11151 1 20 . 1 1 94 94 GLU CB C 94 30.054 30.054 28.978 1.076 25850 11152 1 20 . 1 1 94 94 GLU H H 94 8.571 8.571 8.594 -0.023 25850 11153 1 20 . 1 1 95 95 GLY N N 95 110.337 110.337 112.226 -1.889 25850 11154 1 20 . 1 1 95 95 GLY C C 95 174.070 174.070 174.616 -0.546 25850 11155 1 20 . 1 1 95 95 GLY CA C 95 45.191 45.191 45.413 -0.222 25850 11156 1 20 . 1 1 95 95 GLY H H 95 8.490 8.490 8.305 0.185 25850 11157 1 20 . 1 1 96 96 GLU N N 96 120.183 120.183 123.108 -2.925 25850 11158 1 20 . 1 1 96 96 GLU HA H 96 4.339 4.339 4.434 -0.095 25850 11159 1 20 . 1 1 96 96 GLU C C 96 176.463 176.463 176.038 0.425 25850 11160 1 20 . 1 1 96 96 GLU CA C 96 56.204 56.204 54.786 1.418 25850 11161 1 20 . 1 1 96 96 GLU CB C 96 30.433 30.433 30.641 -0.208 25850 11162 1 20 . 1 1 96 96 GLU H H 96 8.142 8.142 8.305 -0.163 25850 11163 1 20 . 1 1 97 97 SER N N 97 116.979 116.979 115.790 1.189 25850 11164 1 20 . 1 1 97 97 SER HA H 97 4.472 4.472 4.438 0.034 25850 11165 1 20 . 1 1 97 97 SER C C 97 174.162 174.162 174.541 -0.379 25850 11166 1 20 . 1 1 97 97 SER CA C 97 58.070 58.070 58.691 -0.621 25850 11167 1 20 . 1 1 97 97 SER CB C 97 63.710 63.710 62.797 0.913 25850 11168 1 20 . 1 1 97 97 SER H H 97 8.381 8.381 8.392 -0.011 25850 11169 1 20 . 1 1 98 98 ILE N N 98 122.626 122.626 120.911 1.715 25850 11170 1 20 . 1 1 98 98 ILE HA H 98 4.201 4.201 4.522 -0.321 25850 11171 1 20 . 1 1 98 98 ILE C C 98 175.921 175.921 175.396 0.525 25850 11172 1 20 . 1 1 98 98 ILE CA C 98 60.947 60.947 60.695 0.252 25850 11173 1 20 . 1 1 98 98 ILE CB C 98 38.616 38.616 39.397 -0.781 25850 11174 1 20 . 1 1 98 98 ILE H H 98 8.216 8.216 8.159 0.057 25850 11175 1 20 . 1 1 99 99 LEU N N 99 126.765 126.765 126.097 0.668 25850 11176 1 20 . 1 1 99 99 LEU HA H 99 4.399 4.399 4.521 -0.122 25850 11177 1 20 . 1 1 99 99 LEU C C 99 176.093 176.093 177.506 -1.413 25850 11178 1 20 . 1 1 99 99 LEU CA C 99 54.853 54.853 54.935 -0.082 25850 11179 1 20 . 1 1 99 99 LEU CB C 99 42.135 42.135 42.383 -0.248 25850 11180 1 20 . 1 1 99 99 LEU H H 99 8.326 8.326 8.553 -0.227 25850 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 94 1.906 0.236 1.902 25850 2 1 1 "Average Difference" HA 108 0.253 0.007 0.254 25850 3 1 1 "Average Difference" C 95 0.856 -0.106 0.854 25850 4 1 1 "Average Difference" CA 98 0.786 -0.087 0.785 25850 5 1 1 "Average Difference" CB 88 0.775 0.025 0.779 25850 6 1 1 "Average Difference" HN 96 0.373 -0.159 0.339 25850 7 1 2 "Average Difference" N 94 1.830 0.336 1.809 25850 8 1 2 "Average Difference" HA 108 0.262 0.012 0.263 25850 9 1 2 "Average Difference" C 95 0.914 -0.210 0.894 25850 10 1 2 "Average Difference" CA 98 0.808 -0.077 0.809 25850 11 1 2 "Average Difference" CB 88 0.765 0.116 0.761 25850 12 1 2 "Average Difference" HN 96 0.406 -0.173 0.369 25850 13 1 3 "Average Difference" N 94 2.322 0.295 2.316 25850 14 1 3 "Average Difference" HA 108 0.282 0.008 0.283 25850 15 1 3 "Average Difference" C 95 0.896 -0.214 0.875 25850 16 1 3 "Average Difference" CA 98 0.815 -0.070 0.817 25850 17 1 3 "Average Difference" CB 88 0.754 0.073 0.755 25850 18 1 3 "Average Difference" HN 96 0.427 -0.189 0.385 25850 19 1 4 "Average Difference" N 94 1.798 0.162 1.800 25850 20 1 4 "Average Difference" HA 108 0.267 0.028 0.267 25850 21 1 4 "Average Difference" C 95 0.885 -0.140 0.878 25850 22 1 4 "Average Difference" CA 98 0.789 -0.048 0.792 25850 23 1 4 "Average Difference" CB 88 0.753 0.126 0.746 25850 24 1 4 "Average Difference" HN 96 0.407 -0.183 0.365 25850 25 1 5 "Average Difference" N 94 1.862 0.120 1.868 25850 26 1 5 "Average Difference" HA 108 0.263 0.029 0.262 25850 27 1 5 "Average Difference" C 95 0.891 -0.130 0.886 25850 28 1 5 "Average Difference" CA 98 0.854 -0.094 0.853 25850 29 1 5 "Average Difference" CB 88 0.708 0.117 0.702 25850 30 1 5 "Average Difference" HN 96 0.423 -0.179 0.386 25850 31 1 6 "Average Difference" N 94 1.940 -0.044 1.950 25850 32 1 6 "Average Difference" HA 108 0.262 0.002 0.264 25850 33 1 6 "Average Difference" C 95 0.849 -0.168 0.837 25850 34 1 6 "Average Difference" CA 98 0.810 -0.110 0.806 25850 35 1 6 "Average Difference" CB 88 0.695 0.070 0.696 25850 36 1 6 "Average Difference" HN 96 0.419 -0.198 0.371 25850 37 1 7 "Average Difference" N 94 1.768 0.058 1.777 25850 38 1 7 "Average Difference" HA 108 0.260 0.031 0.260 25850 39 1 7 "Average Difference" C 95 0.826 -0.154 0.816 25850 40 1 7 "Average Difference" CA 98 0.796 -0.129 0.790 25850 41 1 7 "Average Difference" CB 88 0.807 0.115 0.804 25850 42 1 7 "Average Difference" HN 96 0.401 -0.163 0.368 25850 43 1 8 "Average Difference" N 94 1.840 0.184 1.840 25850 44 1 8 "Average Difference" HA 108 0.263 0.006 0.264 25850 45 1 8 "Average Difference" C 95 0.851 -0.100 0.850 25850 46 1 8 "Average Difference" CA 98 0.773 -0.062 0.775 25850 47 1 8 "Average Difference" CB 88 0.771 0.043 0.774 25850 48 1 8 "Average Difference" HN 96 0.421 -0.160 0.391 25850 49 1 9 "Average Difference" N 94 1.743 -0.049 1.752 25850 50 1 9 "Average Difference" HA 108 0.250 0.027 0.250 25850 51 1 9 "Average Difference" C 95 0.826 -0.157 0.815 25850 52 1 9 "Average Difference" CA 98 0.839 -0.114 0.836 25850 53 1 9 "Average Difference" CB 88 0.816 0.119 0.812 25850 54 1 9 "Average Difference" HN 96 0.407 -0.165 0.374 25850 55 1 10 "Average Difference" N 94 1.984 -0.186 1.986 25850 56 1 10 "Average Difference" HA 108 0.263 0.003 0.264 25850 57 1 10 "Average Difference" C 95 0.912 -0.153 0.904 25850 58 1 10 "Average Difference" CA 98 0.815 -0.144 0.806 25850 59 1 10 "Average Difference" CB 88 0.789 0.040 0.792 25850 60 1 10 "Average Difference" HN 96 0.433 -0.223 0.374 25850 61 1 11 "Average Difference" N 94 2.130 0.153 2.136 25850 62 1 11 "Average Difference" HA 108 0.255 0.029 0.255 25850 63 1 11 "Average Difference" C 95 0.825 -0.157 0.814 25850 64 1 11 "Average Difference" CA 98 0.824 -0.094 0.822 25850 65 1 11 "Average Difference" CB 88 0.765 0.084 0.764 25850 66 1 11 "Average Difference" HN 96 0.421 -0.165 0.389 25850 67 1 12 "Average Difference" N 94 1.703 -0.115 1.708 25850 68 1 12 "Average Difference" HA 108 0.259 0.019 0.259 25850 69 1 12 "Average Difference" C 95 0.840 -0.195 0.821 25850 70 1 12 "Average Difference" CA 98 0.771 -0.058 0.773 25850 71 1 12 "Average Difference" CB 88 0.745 0.024 0.749 25850 72 1 12 "Average Difference" HN 96 0.406 -0.176 0.368 25850 73 1 13 "Average Difference" N 94 2.105 -0.024 2.116 25850 74 1 13 "Average Difference" HA 108 0.251 0.054 0.246 25850 75 1 13 "Average Difference" C 95 0.889 -0.215 0.867 25850 76 1 13 "Average Difference" CA 98 0.771 -0.178 0.754 25850 77 1 13 "Average Difference" CB 88 0.752 0.114 0.747 25850 78 1 13 "Average Difference" HN 96 0.434 -0.203 0.386 25850 79 1 14 "Average Difference" N 94 1.658 0.142 1.660 25850 80 1 14 "Average Difference" HA 108 0.260 0.009 0.262 25850 81 1 14 "Average Difference" C 95 0.849 -0.071 0.850 25850 82 1 14 "Average Difference" CA 98 0.808 -0.070 0.809 25850 83 1 14 "Average Difference" CB 88 0.827 0.014 0.831 25850 84 1 14 "Average Difference" HN 96 0.447 -0.215 0.395 25850 85 1 15 "Average Difference" N 94 1.888 0.086 1.896 25850 86 1 15 "Average Difference" HA 108 0.265 0.022 0.266 25850 87 1 15 "Average Difference" C 95 0.881 -0.177 0.868 25850 88 1 15 "Average Difference" CA 98 0.858 -0.103 0.856 25850 89 1 15 "Average Difference" CB 88 0.841 0.096 0.840 25850 90 1 15 "Average Difference" HN 96 0.422 -0.203 0.372 25850 91 1 16 "Average Difference" N 94 2.024 0.284 2.015 25850 92 1 16 "Average Difference" HA 108 0.251 0.021 0.252 25850 93 1 16 "Average Difference" C 95 0.927 -0.187 0.912 25850 94 1 16 "Average Difference" CA 98 0.756 -0.096 0.754 25850 95 1 16 "Average Difference" CB 88 0.675 0.014 0.679 25850 96 1 16 "Average Difference" HN 96 0.413 -0.187 0.371 25850 97 1 17 "Average Difference" N 94 1.763 -0.051 1.771 25850 98 1 17 "Average Difference" HA 108 0.271 -0.003 0.272 25850 99 1 17 "Average Difference" C 95 0.867 -0.138 0.861 25850 100 1 17 "Average Difference" CA 98 0.795 -0.049 0.797 25850 101 1 17 "Average Difference" CB 88 0.796 0.012 0.801 25850 102 1 17 "Average Difference" HN 96 0.435 -0.220 0.377 25850 103 1 18 "Average Difference" N 94 1.991 0.319 1.976 25850 104 1 18 "Average Difference" HA 108 0.249 0.020 0.250 25850 105 1 18 "Average Difference" C 95 0.837 -0.163 0.826 25850 106 1 18 "Average Difference" CA 98 0.735 -0.034 0.738 25850 107 1 18 "Average Difference" CB 88 0.835 -0.005 0.840 25850 108 1 18 "Average Difference" HN 96 0.385 -0.135 0.362 25850 109 1 19 "Average Difference" N 94 2.135 0.331 2.121 25850 110 1 19 "Average Difference" HA 108 0.258 0.019 0.258 25850 111 1 19 "Average Difference" C 95 0.836 -0.130 0.830 25850 112 1 19 "Average Difference" CA 98 0.764 -0.075 0.764 25850 113 1 19 "Average Difference" CB 88 0.844 0.010 0.849 25850 114 1 19 "Average Difference" HN 96 0.422 -0.166 0.391 25850 115 1 20 "Average Difference" N 94 1.751 -0.196 1.749 25850 116 1 20 "Average Difference" HA 108 0.269 0.031 0.268 25850 117 1 20 "Average Difference" C 95 0.819 -0.086 0.819 25850 118 1 20 "Average Difference" CA 98 0.776 -0.086 0.775 25850 119 1 20 "Average Difference" CB 88 0.713 0.038 0.716 25850 120 1 20 "Average Difference" HN 96 0.399 -0.184 0.356 25850 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 25850 _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 GLY C C 2 173.891 173.891 174.088 -0.197 25850 2 1 . 1 1 2 2 GLY CA C 2 44.831 44.831 44.866 -0.035 25850 3 1 . 1 1 3 3 SER N N 3 117.545 117.545 117.417 0.128 25850 4 1 . 1 1 3 3 SER HA H 3 4.799 4.799 4.639 0.160 25850 5 1 . 1 1 3 3 SER C C 3 173.162 173.162 174.231 -1.069 25850 6 1 . 1 1 3 3 SER CA C 3 56.530 56.530 56.433 0.097 25850 7 1 . 1 1 3 3 SER CB C 3 63.002 63.002 63.652 -0.650 25850 8 1 . 1 1 3 3 SER H H 3 8.428 8.428 7.999 0.429 25850 9 1 . 1 1 4 4 PRO HA H 4 4.644 4.644 4.400 0.244 25850 10 1 . 1 1 4 4 PRO C C 4 178.093 178.093 178.151 -0.058 25850 11 1 . 1 1 4 4 PRO CA C 4 65.378 65.378 65.274 0.104 25850 12 1 . 1 1 4 4 PRO CB C 4 31.965 31.965 31.932 0.033 25850 13 1 . 1 1 5 5 ASP N N 5 115.270 115.270 116.262 -0.992 25850 14 1 . 1 1 5 5 ASP HA H 5 4.353 4.353 4.314 0.039 25850 15 1 . 1 1 5 5 ASP C C 5 178.915 178.915 178.223 0.692 25850 16 1 . 1 1 5 5 ASP CA C 5 56.796 56.796 57.475 -0.679 25850 17 1 . 1 1 5 5 ASP CB C 5 40.690 40.690 40.250 0.440 25850 18 1 . 1 1 5 5 ASP H H 5 8.233 8.233 8.734 -0.501 25850 19 1 . 1 1 6 6 GLU N N 6 121.390 121.390 119.400 1.990 25850 20 1 . 1 1 6 6 GLU HA H 6 4.027 4.027 3.998 0.029 25850 21 1 . 1 1 6 6 GLU C C 6 178.836 178.836 178.714 0.122 25850 22 1 . 1 1 6 6 GLU CA C 6 58.594 58.594 59.034 -0.440 25850 23 1 . 1 1 6 6 GLU CB C 6 29.641 29.641 29.346 0.295 25850 24 1 . 1 1 6 6 GLU H H 6 7.770 7.770 7.829 -0.059 25850 25 1 . 1 1 7 7 ASN N N 7 119.966 119.966 118.301 1.665 25850 26 1 . 1 1 7 7 ASN HA H 7 4.155 4.155 4.208 -0.053 25850 27 1 . 1 1 7 7 ASN C C 7 176.723 176.723 177.487 -0.764 25850 28 1 . 1 1 7 7 ASN CA C 7 55.007 55.007 55.606 -0.599 25850 29 1 . 1 1 7 7 ASN CB C 7 36.627 36.627 38.056 -1.429 25850 30 1 . 1 1 7 7 ASN H H 7 8.378 8.378 7.740 0.638 25850 31 1 . 1 1 8 8 ILE N N 8 119.915 119.915 121.038 -1.123 25850 32 1 . 1 1 8 8 ILE HA H 8 3.608 3.608 3.664 -0.056 25850 33 1 . 1 1 8 8 ILE CA C 8 66.495 66.495 65.668 0.827 25850 34 1 . 1 1 8 8 ILE CB C 8 37.558 37.558 37.666 -0.108 25850 35 1 . 1 1 8 8 ILE H H 8 8.626 8.626 8.021 0.605 25850 36 1 . 1 1 9 9 ALA N N 9 121.268 121.268 121.119 0.149 25850 37 1 . 1 1 9 9 ALA HA H 9 4.235 4.235 4.074 0.161 25850 38 1 . 1 1 9 9 ALA C C 9 180.624 180.624 179.386 1.238 25850 39 1 . 1 1 9 9 ALA CA C 9 54.922 54.922 55.058 -0.136 25850 40 1 . 1 1 9 9 ALA CB C 9 17.710 17.710 18.118 -0.408 25850 41 1 . 1 1 9 9 ALA H H 9 7.597 7.597 7.738 -0.141 25850 42 1 . 1 1 10 10 LYS N N 10 118.798 118.798 119.126 -0.328 25850 43 1 . 1 1 10 10 LYS HA H 10 4.011 4.011 4.005 0.006 25850 44 1 . 1 1 10 10 LYS C C 10 180.034 180.034 178.991 1.043 25850 45 1 . 1 1 10 10 LYS CA C 10 59.264 59.264 58.935 0.329 25850 46 1 . 1 1 10 10 LYS CB C 10 31.744 31.744 32.115 -0.371 25850 47 1 . 1 1 10 10 LYS H H 10 7.569 7.569 7.327 0.242 25850 48 1 . 1 1 11 11 PHE N N 11 121.394 121.394 118.084 3.310 25850 49 1 . 1 1 11 11 PHE HA H 11 4.728 4.728 4.369 0.359 25850 50 1 . 1 1 11 11 PHE C C 11 178.445 178.445 178.421 0.024 25850 51 1 . 1 1 11 11 PHE CA C 11 59.549 59.549 59.657 -0.108 25850 52 1 . 1 1 11 11 PHE CB C 11 39.001 39.001 38.215 0.786 25850 53 1 . 1 1 11 11 PHE H H 11 8.347 8.347 7.854 0.493 25850 54 1 . 1 1 12 12 GLU N N 12 121.864 121.864 120.055 1.809 25850 55 1 . 1 1 12 12 GLU HA H 12 4.127 4.127 4.126 0.001 25850 56 1 . 1 1 12 12 GLU C C 12 179.600 179.600 178.856 0.744 25850 57 1 . 1 1 12 12 GLU CA C 12 59.803 59.803 59.403 0.400 25850 58 1 . 1 1 12 12 GLU CB C 12 29.488 29.488 29.190 0.298 25850 59 1 . 1 1 12 12 GLU H H 12 9.184 9.184 8.350 0.834 25850 60 1 . 1 1 13 13 LYS N N 13 120.472 120.472 119.882 0.590 25850 61 1 . 1 1 13 13 LYS HA H 13 4.127 4.127 4.143 -0.016 25850 62 1 . 1 1 13 13 LYS C C 13 179.120 179.120 178.819 0.301 25850 63 1 . 1 1 13 13 LYS CA C 13 59.308 59.308 59.103 0.205 25850 64 1 . 1 1 13 13 LYS CB C 13 32.147 32.147 32.339 -0.192 25850 65 1 . 1 1 13 13 LYS H H 13 7.800 7.800 7.788 0.012 25850 66 1 . 1 1 14 14 ALA N N 14 122.753 122.753 121.356 1.397 25850 67 1 . 1 1 14 14 ALA HA H 14 4.205 4.205 4.187 0.018 25850 68 1 . 1 1 14 14 ALA C C 14 180.640 180.640 179.569 1.071 25850 69 1 . 1 1 14 14 ALA CA C 14 54.756 54.756 54.772 -0.016 25850 70 1 . 1 1 14 14 ALA CB C 14 17.913 17.913 18.253 -0.340 25850 71 1 . 1 1 14 14 ALA H H 14 8.001 8.001 7.949 0.052 25850 72 1 . 1 1 15 15 TYR HA H 15 3.850 3.850 4.174 -0.324 25850 73 1 . 1 1 15 15 TYR C C 15 175.898 175.898 177.542 -1.644 25850 74 1 . 1 1 15 15 TYR CA C 15 62.008 62.008 61.330 0.678 25850 75 1 . 1 1 15 15 TYR CB C 15 37.756 37.756 38.541 -0.785 25850 76 1 . 1 1 15 15 TYR H H 15 8.906 8.906 7.963 0.943 25850 77 1 . 1 1 16 16 LYS N N 16 119.082 119.082 118.083 0.999 25850 78 1 . 1 1 16 16 LYS HA H 16 3.985 3.985 3.858 0.127 25850 79 1 . 1 1 16 16 LYS C C 16 179.068 179.068 178.836 0.232 25850 80 1 . 1 1 16 16 LYS CA C 16 58.622 58.622 59.218 -0.596 25850 81 1 . 1 1 16 16 LYS CB C 16 32.131 32.131 32.072 0.059 25850 82 1 . 1 1 16 16 LYS H H 16 8.059 8.059 8.029 0.030 25850 83 1 . 1 1 17 17 LYS N N 17 119.708 119.708 119.981 -0.273 25850 84 1 . 1 1 17 17 LYS HA H 17 4.142 4.142 4.200 -0.058 25850 85 1 . 1 1 17 17 LYS CA C 17 57.951 57.951 58.816 -0.865 25850 86 1 . 1 1 17 17 LYS CB C 17 31.802 31.802 32.281 -0.479 25850 87 1 . 1 1 17 17 LYS H H 17 7.900 7.900 7.801 0.099 25850 88 1 . 1 1 18 18 ALA N N 18 120.860 120.860 121.541 -0.681 25850 89 1 . 1 1 18 18 ALA HA H 18 4.329 4.329 4.038 0.291 25850 90 1 . 1 1 18 18 ALA C C 18 179.572 179.572 179.244 0.328 25850 91 1 . 1 1 18 18 ALA CA C 18 54.110 54.110 55.123 -1.013 25850 92 1 . 1 1 18 18 ALA CB C 18 18.782 18.782 18.073 0.709 25850 93 1 . 1 1 18 18 ALA H H 18 7.854 7.854 7.851 0.003 25850 94 1 . 1 1 19 19 GLU N N 19 120.904 120.904 118.780 2.124 25850 95 1 . 1 1 19 19 GLU HA H 19 4.240 4.240 3.910 0.330 25850 96 1 . 1 1 19 19 GLU C C 19 180.268 180.268 179.000 1.268 25850 97 1 . 1 1 19 19 GLU CA C 19 59.147 59.147 58.708 0.439 25850 98 1 . 1 1 19 19 GLU CB C 19 29.889 29.889 29.470 0.419 25850 99 1 . 1 1 19 19 GLU H H 19 8.690 8.690 7.851 0.839 25850 100 1 . 1 1 20 20 GLU N N 20 120.868 120.868 119.372 1.496 25850 101 1 . 1 1 20 20 GLU HA H 20 4.024 4.024 4.084 -0.060 25850 102 1 . 1 1 20 20 GLU C C 20 177.975 177.975 178.437 -0.462 25850 103 1 . 1 1 20 20 GLU CA C 20 58.935 58.935 58.650 0.285 25850 104 1 . 1 1 20 20 GLU CB C 20 29.549 29.549 29.503 0.045 25850 105 1 . 1 1 20 20 GLU H H 20 7.898 7.898 7.739 0.159 25850 106 1 . 1 1 21 21 LEU N N 21 116.701 116.701 117.041 -0.340 25850 107 1 . 1 1 21 21 LEU HA H 21 4.351 4.351 4.285 0.066 25850 108 1 . 1 1 21 21 LEU C C 21 176.199 176.199 176.508 -0.309 25850 109 1 . 1 1 21 21 LEU CA C 21 54.158 54.158 54.812 -0.654 25850 110 1 . 1 1 21 21 LEU CB C 21 41.776 41.776 42.226 -0.450 25850 111 1 . 1 1 21 21 LEU H H 21 7.393 7.393 7.546 -0.153 25850 112 1 . 1 1 22 22 ASN N N 22 118.557 118.557 115.070 3.487 25850 113 1 . 1 1 22 22 ASN HA H 22 4.278 4.278 4.387 -0.109 25850 114 1 . 1 1 22 22 ASN C C 22 174.436 174.436 174.448 -0.012 25850 115 1 . 1 1 22 22 ASN CA C 22 54.104 54.104 54.150 -0.046 25850 116 1 . 1 1 22 22 ASN CB C 22 37.364 37.364 37.298 0.066 25850 117 1 . 1 1 22 22 ASN H H 22 7.994 7.994 7.635 0.359 25850 118 1 . 1 1 23 23 GLN N N 23 118.344 118.344 118.472 -0.128 25850 119 1 . 1 1 23 23 GLN HA H 23 4.557 4.557 4.533 0.024 25850 120 1 . 1 1 23 23 GLN C C 23 176.685 176.685 176.352 0.333 25850 121 1 . 1 1 23 23 GLN CA C 23 53.983 53.983 54.895 -0.912 25850 122 1 . 1 1 23 23 GLN CB C 23 27.770 27.770 28.299 -0.529 25850 123 1 . 1 1 23 23 GLN H H 23 8.378 8.378 7.851 0.527 25850 124 1 . 1 1 24 24 GLY N N 24 113.071 113.071 113.476 -0.405 25850 125 1 . 1 1 24 24 GLY C C 24 175.286 175.286 175.289 -0.003 25850 126 1 . 1 1 24 24 GLY CA C 24 47.823 47.823 46.952 0.871 25850 127 1 . 1 1 24 24 GLY H H 24 8.468 8.468 8.650 -0.182 25850 128 1 . 1 1 25 25 GLU N N 25 120.717 120.717 121.902 -1.185 25850 129 1 . 1 1 25 25 GLU HA H 25 4.124 4.124 4.072 0.052 25850 130 1 . 1 1 25 25 GLU C C 25 176.495 176.495 178.628 -2.133 25850 131 1 . 1 1 25 25 GLU CA C 25 59.621 59.621 59.139 0.481 25850 132 1 . 1 1 25 25 GLU CB C 25 28.636 28.636 29.057 -0.421 25850 133 1 . 1 1 25 25 GLU H H 25 9.067 9.067 8.127 0.940 25850 134 1 . 1 1 26 26 LEU HA H 26 4.222 4.222 4.121 0.101 25850 135 1 . 1 1 26 26 LEU C C 26 180.590 180.590 179.282 1.308 25850 136 1 . 1 1 26 26 LEU CA C 26 56.882 56.882 57.464 -0.582 25850 137 1 . 1 1 26 26 LEU CB C 26 41.231 41.231 41.882 -0.651 25850 138 1 . 1 1 26 26 LEU H H 26 7.165 7.165 7.611 -0.446 25850 139 1 . 1 1 27 27 MET N N 27 121.053 121.053 117.985 3.068 25850 140 1 . 1 1 27 27 MET HA H 27 3.932 3.932 4.201 -0.269 25850 141 1 . 1 1 27 27 MET CA C 27 59.980 59.980 59.741 0.239 25850 142 1 . 1 1 27 27 MET CB C 27 34.537 34.537 32.290 2.247 25850 143 1 . 1 1 27 27 MET H H 27 8.203 8.203 7.910 0.293 25850 144 1 . 1 1 28 28 GLY N N 28 106.038 106.038 106.696 -0.658 25850 145 1 . 1 1 28 28 GLY C C 28 174.900 174.900 175.652 -0.752 25850 146 1 . 1 1 28 28 GLY CA C 28 47.672 47.672 46.499 1.173 25850 147 1 . 1 1 28 28 GLY H H 28 8.527 8.527 8.285 0.242 25850 148 1 . 1 1 29 29 ARG N N 29 120.201 120.201 121.904 -1.703 25850 149 1 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.241 -0.046 25850 150 1 . 1 1 29 29 ARG C C 29 178.065 178.065 178.532 -0.467 25850 151 1 . 1 1 29 29 ARG CA C 29 59.974 59.974 59.327 0.647 25850 152 1 . 1 1 29 29 ARG CB C 29 30.416 30.416 30.185 0.231 25850 153 1 . 1 1 29 29 ARG H H 29 8.224 8.224 7.907 0.317 25850 154 1 . 1 1 30 30 ALA N N 30 121.394 121.394 123.018 -1.624 25850 155 1 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.099 0.098 25850 156 1 . 1 1 30 30 ALA C C 30 179.433 179.433 179.675 -0.242 25850 157 1 . 1 1 30 30 ALA CA C 30 55.838 55.838 55.138 0.700 25850 158 1 . 1 1 30 30 ALA CB C 30 18.269 18.269 18.319 -0.050 25850 159 1 . 1 1 30 30 ALA H H 30 7.876 7.876 7.923 -0.047 25850 160 1 . 1 1 31 31 LEU N N 31 116.122 116.122 118.415 -2.293 25850 161 1 . 1 1 31 31 LEU HA H 31 4.003 4.003 3.879 0.124 25850 162 1 . 1 1 31 31 LEU C C 31 178.416 178.416 179.029 -0.613 25850 163 1 . 1 1 31 31 LEU CA C 31 57.921 57.921 57.599 0.322 25850 164 1 . 1 1 31 31 LEU CB C 31 42.463 42.463 41.765 0.698 25850 165 1 . 1 1 31 31 LEU H H 31 8.084 8.084 7.815 0.269 25850 166 1 . 1 1 32 32 TYR N N 32 119.225 119.225 120.549 -1.325 25850 167 1 . 1 1 32 32 TYR HA H 32 4.063 4.063 4.333 -0.270 25850 168 1 . 1 1 32 32 TYR C C 32 176.310 176.310 177.684 -1.374 25850 169 1 . 1 1 32 32 TYR CA C 32 61.992 61.992 61.845 0.147 25850 170 1 . 1 1 32 32 TYR CB C 32 38.659 38.659 38.576 0.083 25850 171 1 . 1 1 32 32 TYR H H 32 8.562 8.562 8.436 0.126 25850 172 1 . 1 1 33 33 ASN N N 33 116.880 116.880 117.435 -0.555 25850 173 1 . 1 1 33 33 ASN HA H 33 4.068 4.068 4.173 -0.105 25850 174 1 . 1 1 33 33 ASN C C 33 178.353 178.353 177.613 0.740 25850 175 1 . 1 1 33 33 ASN CA C 33 55.858 55.858 56.070 -0.212 25850 176 1 . 1 1 33 33 ASN CB C 33 35.968 35.968 37.706 -1.738 25850 177 1 . 1 1 33 33 ASN H H 33 8.213 8.213 7.970 0.243 25850 178 1 . 1 1 34 34 ILE N N 34 121.401 121.401 120.379 1.022 25850 179 1 . 1 1 34 34 ILE HA H 34 3.300 3.300 3.628 -0.328 25850 180 1 . 1 1 34 34 ILE C C 34 177.867 177.867 177.682 0.185 25850 181 1 . 1 1 34 34 ILE CA C 34 66.528 66.528 65.450 1.078 25850 182 1 . 1 1 34 34 ILE CB C 34 37.839 37.839 37.205 0.634 25850 183 1 . 1 1 34 34 ILE H H 34 8.087 8.087 8.019 0.068 25850 184 1 . 1 1 35 35 GLY N N 35 107.275 107.275 107.741 -0.466 25850 185 1 . 1 1 35 35 GLY C C 35 175.048 175.048 175.747 -0.699 25850 186 1 . 1 1 35 35 GLY CA C 35 48.547 48.547 46.766 1.781 25850 187 1 . 1 1 35 35 GLY H H 35 7.922 7.922 7.841 0.081 25850 188 1 . 1 1 36 36 LEU N N 36 120.414 120.414 121.850 -1.436 25850 189 1 . 1 1 36 36 LEU HA H 36 4.048 4.048 4.009 0.039 25850 190 1 . 1 1 36 36 LEU C C 36 180.804 180.804 179.204 1.600 25850 191 1 . 1 1 36 36 LEU CA C 36 58.063 58.063 57.597 0.466 25850 192 1 . 1 1 36 36 LEU CB C 36 41.701 41.701 41.515 0.186 25850 193 1 . 1 1 36 36 LEU H H 36 8.177 8.177 7.748 0.429 25850 194 1 . 1 1 37 37 GLU N N 37 120.083 120.083 119.078 1.005 25850 195 1 . 1 1 37 37 GLU HA H 37 4.075 4.075 4.056 0.019 25850 196 1 . 1 1 37 37 GLU C C 37 179.517 179.517 179.282 0.235 25850 197 1 . 1 1 37 37 GLU CA C 37 58.603 58.603 59.048 -0.445 25850 198 1 . 1 1 37 37 GLU CB C 37 29.799 29.799 28.939 0.861 25850 199 1 . 1 1 37 37 GLU H H 37 7.750 7.750 7.886 -0.136 25850 200 1 . 1 1 38 38 LYS N N 38 118.263 118.263 118.618 -0.355 25850 201 1 . 1 1 38 38 LYS HA H 38 3.862 3.862 3.996 -0.134 25850 202 1 . 1 1 38 38 LYS C C 38 179.253 179.253 178.701 0.552 25850 203 1 . 1 1 38 38 LYS CA C 38 57.937 57.937 58.695 -0.758 25850 204 1 . 1 1 38 38 LYS CB C 38 30.769 30.769 31.916 -1.147 25850 205 1 . 1 1 38 38 LYS H H 38 8.550 8.550 7.925 0.625 25850 206 1 . 1 1 39 39 ASN N N 39 118.329 118.329 117.462 0.867 25850 207 1 . 1 1 39 39 ASN HA H 39 4.193 4.193 4.493 -0.300 25850 208 1 . 1 1 39 39 ASN C C 39 179.428 179.428 177.716 1.712 25850 209 1 . 1 1 39 39 ASN CA C 39 56.177 56.177 55.869 0.308 25850 210 1 . 1 1 39 39 ASN CB C 39 38.478 38.478 38.593 -0.115 25850 211 1 . 1 1 39 39 ASN H H 39 8.294 8.294 8.064 0.230 25850 212 1 . 1 1 40 40 LYS N N 40 121.176 121.176 118.720 2.456 25850 213 1 . 1 1 40 40 LYS HA H 40 4.047 4.047 4.153 -0.106 25850 214 1 . 1 1 40 40 LYS C C 40 178.229 178.229 178.176 0.053 25850 215 1 . 1 1 40 40 LYS CA C 40 59.471 59.471 58.517 0.954 25850 216 1 . 1 1 40 40 LYS CB C 40 32.427 32.427 32.199 0.228 25850 217 1 . 1 1 40 40 LYS H H 40 7.912 7.912 7.751 0.161 25850 218 1 . 1 1 41 41 MET N N 41 114.548 114.548 116.638 -2.090 25850 219 1 . 1 1 41 41 MET HA H 41 4.512 4.512 4.412 0.100 25850 220 1 . 1 1 41 41 MET C C 41 175.915 175.915 176.821 -0.906 25850 221 1 . 1 1 41 41 MET CA C 41 55.529 55.529 56.169 -0.640 25850 222 1 . 1 1 41 41 MET CB C 41 34.022 34.022 33.033 0.989 25850 223 1 . 1 1 41 41 MET H H 41 7.389 7.389 7.629 -0.240 25850 224 1 . 1 1 42 42 GLY N N 42 107.409 107.409 106.830 0.579 25850 225 1 . 1 1 42 42 GLY C C 42 175.041 175.041 174.881 0.160 25850 226 1 . 1 1 42 42 GLY CA C 42 45.335 45.335 45.316 0.019 25850 227 1 . 1 1 42 42 GLY H H 42 7.929 7.929 7.637 0.292 25850 228 1 . 1 1 43 43 LYS N N 43 124.326 124.326 122.418 1.908 25850 229 1 . 1 1 43 43 LYS HA H 43 4.684 4.684 4.439 0.245 25850 230 1 . 1 1 43 43 LYS C C 43 176.514 176.514 176.222 0.292 25850 231 1 . 1 1 43 43 LYS CA C 43 53.791 53.791 54.896 -1.106 25850 232 1 . 1 1 43 43 LYS CB C 43 30.065 30.065 31.027 -0.962 25850 233 1 . 1 1 43 43 LYS H H 43 8.040 8.040 7.967 0.073 25850 234 1 . 1 1 44 44 VAL N N 44 121.020 121.020 121.420 -0.400 25850 235 1 . 1 1 44 44 VAL HA H 44 3.580 3.580 3.641 -0.061 25850 236 1 . 1 1 44 44 VAL C C 44 177.096 177.096 177.407 -0.311 25850 237 1 . 1 1 44 44 VAL CA C 44 66.166 66.166 66.144 0.022 25850 238 1 . 1 1 44 44 VAL CB C 44 31.869 31.869 31.821 0.048 25850 239 1 . 1 1 44 44 VAL H H 44 7.439 7.439 7.707 -0.268 25850 240 1 . 1 1 45 45 LYS N N 45 119.164 119.164 119.601 -0.437 25850 241 1 . 1 1 45 45 LYS HA H 45 3.950 3.950 3.957 -0.007 25850 242 1 . 1 1 45 45 LYS C C 45 179.726 179.726 178.773 0.953 25850 243 1 . 1 1 45 45 LYS CA C 45 60.153 60.153 59.777 0.376 25850 244 1 . 1 1 45 45 LYS CB C 45 31.446 31.446 31.575 -0.130 25850 245 1 . 1 1 45 45 LYS H H 45 8.427 8.427 8.600 -0.173 25850 246 1 . 1 1 46 46 GLU N N 46 118.446 118.446 119.320 -0.874 25850 247 1 . 1 1 46 46 GLU HA H 46 4.092 4.092 4.128 -0.036 25850 248 1 . 1 1 46 46 GLU C C 46 178.490 178.490 178.592 -0.102 25850 249 1 . 1 1 46 46 GLU CA C 46 59.327 59.327 59.036 0.291 25850 250 1 . 1 1 46 46 GLU CB C 46 29.764 29.764 29.396 0.368 25850 251 1 . 1 1 46 46 GLU H H 46 7.867 7.867 8.035 -0.168 25850 252 1 . 1 1 47 47 ALA N N 47 122.279 122.279 123.049 -0.770 25850 253 1 . 1 1 47 47 ALA HA H 47 3.513 3.513 3.720 -0.207 25850 254 1 . 1 1 47 47 ALA C C 47 178.065 178.065 179.035 -0.970 25850 255 1 . 1 1 47 47 ALA CA C 47 55.905 55.905 55.005 0.900 25850 256 1 . 1 1 47 47 ALA CB C 47 18.256 18.256 18.174 0.082 25850 257 1 . 1 1 47 47 ALA H H 47 8.315 8.315 7.668 0.647 25850 258 1 . 1 1 48 48 ILE N N 48 115.863 115.863 118.170 -2.307 25850 259 1 . 1 1 48 48 ILE HA H 48 3.401 3.401 3.507 -0.106 25850 260 1 . 1 1 48 48 ILE C C 48 176.808 176.808 177.957 -1.149 25850 261 1 . 1 1 48 48 ILE CA C 48 66.282 66.282 65.615 0.667 25850 262 1 . 1 1 48 48 ILE CB C 48 38.375 38.375 37.636 0.739 25850 263 1 . 1 1 48 48 ILE H H 48 8.077 8.077 7.854 0.223 25850 264 1 . 1 1 49 49 GLU N N 49 116.853 116.853 119.045 -2.192 25850 265 1 . 1 1 49 49 GLU HA H 49 3.920 3.920 3.857 0.063 25850 266 1 . 1 1 49 49 GLU C C 49 179.914 179.914 179.199 0.715 25850 267 1 . 1 1 49 49 GLU CA C 49 59.535 59.535 59.529 0.006 25850 268 1 . 1 1 49 49 GLU CB C 49 28.995 28.995 29.090 -0.095 25850 269 1 . 1 1 49 49 GLU H H 49 7.175 7.175 7.620 -0.445 25850 270 1 . 1 1 50 50 TYR N N 50 117.578 117.578 118.980 -1.402 25850 271 1 . 1 1 50 50 TYR HA H 50 3.774 3.774 4.176 -0.402 25850 272 1 . 1 1 50 50 TYR C C 50 178.462 178.462 178.376 0.086 25850 273 1 . 1 1 50 50 TYR CA C 50 64.368 64.368 61.344 3.024 25850 274 1 . 1 1 50 50 TYR CB C 50 37.345 37.345 38.106 -0.761 25850 275 1 . 1 1 50 50 TYR H H 50 7.676 7.676 7.700 -0.024 25850 276 1 . 1 1 51 51 PHE N N 51 119.480 119.480 118.099 1.381 25850 277 1 . 1 1 51 51 PHE HA H 51 4.711 4.711 4.462 0.249 25850 278 1 . 1 1 51 51 PHE C C 51 178.720 178.720 178.049 0.671 25850 279 1 . 1 1 51 51 PHE CA C 51 58.958 58.958 59.931 -0.973 25850 280 1 . 1 1 51 51 PHE CB C 51 37.771 37.771 38.023 -0.252 25850 281 1 . 1 1 51 51 PHE H H 51 9.013 9.013 8.129 0.884 25850 282 1 . 1 1 52 52 LEU N N 52 120.365 120.365 120.758 -0.393 25850 283 1 . 1 1 52 52 LEU HA H 52 4.093 4.093 3.975 0.118 25850 284 1 . 1 1 52 52 LEU C C 52 180.229 180.229 179.016 1.213 25850 285 1 . 1 1 52 52 LEU CA C 52 58.252 58.252 58.417 -0.166 25850 286 1 . 1 1 52 52 LEU CB C 52 42.160 42.160 41.491 0.669 25850 287 1 . 1 1 52 52 LEU H H 52 8.906 8.906 8.471 0.435 25850 288 1 . 1 1 53 53 ARG N N 53 119.294 119.294 118.897 0.397 25850 289 1 . 1 1 53 53 ARG HA H 53 3.929 3.929 3.973 -0.044 25850 290 1 . 1 1 53 53 ARG C C 53 179.087 179.087 178.516 0.571 25850 291 1 . 1 1 53 53 ARG CA C 53 59.580 59.580 59.642 -0.062 25850 292 1 . 1 1 53 53 ARG CB C 53 31.418 31.418 29.912 1.506 25850 293 1 . 1 1 53 53 ARG H H 53 7.846 7.846 8.103 -0.257 25850 294 1 . 1 1 54 54 ALA N N 54 121.351 121.351 121.929 -0.578 25850 295 1 . 1 1 54 54 ALA HA H 54 3.693 3.693 3.892 -0.199 25850 296 1 . 1 1 54 54 ALA C C 54 177.631 177.631 179.042 -1.411 25850 297 1 . 1 1 54 54 ALA CA C 54 55.115 55.115 55.404 -0.289 25850 298 1 . 1 1 54 54 ALA CB C 54 17.612 17.612 18.383 -0.771 25850 299 1 . 1 1 54 54 ALA H H 54 8.892 8.892 8.264 0.629 25850 300 1 . 1 1 55 55 LYS N N 55 117.135 117.135 118.747 -1.612 25850 301 1 . 1 1 55 55 LYS HA H 55 3.835 3.835 4.278 -0.443 25850 302 1 . 1 1 55 55 LYS C C 55 176.970 176.970 178.623 -1.653 25850 303 1 . 1 1 55 55 LYS CA C 55 60.725 60.725 59.671 1.053 25850 304 1 . 1 1 55 55 LYS CB C 55 32.602 32.602 32.413 0.189 25850 305 1 . 1 1 55 55 LYS H H 55 8.626 8.626 8.083 0.543 25850 306 1 . 1 1 56 56 LYS N N 56 116.695 116.695 119.781 -3.086 25850 307 1 . 1 1 56 56 LYS HA H 56 4.171 4.171 4.183 -0.012 25850 308 1 . 1 1 56 56 LYS C C 56 180.037 180.037 179.137 0.900 25850 309 1 . 1 1 56 56 LYS CA C 56 59.606 59.606 59.377 0.229 25850 310 1 . 1 1 56 56 LYS CB C 56 32.349 32.349 32.309 0.040 25850 311 1 . 1 1 56 56 LYS H H 56 7.652 7.652 7.786 -0.134 25850 312 1 . 1 1 57 57 VAL N N 57 120.809 120.809 118.968 1.841 25850 313 1 . 1 1 57 57 VAL HA H 57 3.753 3.753 3.674 0.079 25850 314 1 . 1 1 57 57 VAL C C 57 178.174 178.174 178.003 0.171 25850 315 1 . 1 1 57 57 VAL CA C 57 66.226 66.226 66.113 0.113 25850 316 1 . 1 1 57 57 VAL CB C 57 31.424 31.424 31.388 0.036 25850 317 1 . 1 1 57 57 VAL H H 57 7.583 7.583 7.752 -0.169 25850 318 1 . 1 1 58 58 PHE N N 58 118.864 118.864 119.395 -0.531 25850 319 1 . 1 1 58 58 PHE HA H 58 4.521 4.521 4.141 0.380 25850 320 1 . 1 1 58 58 PHE C C 58 179.187 179.187 177.740 1.447 25850 321 1 . 1 1 58 58 PHE CA C 58 59.849 59.849 61.382 -1.533 25850 322 1 . 1 1 58 58 PHE CB C 58 37.753 37.753 37.945 -0.192 25850 323 1 . 1 1 58 58 PHE H H 58 8.871 8.871 8.032 0.840 25850 324 1 . 1 1 59 59 ASP N N 59 119.714 119.714 119.433 0.281 25850 325 1 . 1 1 59 59 ASP HA H 59 4.444 4.444 4.407 0.037 25850 326 1 . 1 1 59 59 ASP C C 59 180.066 180.066 178.353 1.713 25850 327 1 . 1 1 59 59 ASP CA C 59 57.201 57.201 57.319 -0.118 25850 328 1 . 1 1 59 59 ASP CB C 59 39.713 39.713 40.556 -0.843 25850 329 1 . 1 1 59 59 ASP H H 59 9.157 9.157 8.342 0.815 25850 330 1 . 1 1 60 60 ALA N N 60 124.290 124.290 121.374 2.917 25850 331 1 . 1 1 60 60 ALA HA H 60 4.087 4.087 4.028 0.059 25850 332 1 . 1 1 60 60 ALA C C 60 179.389 179.389 178.875 0.514 25850 333 1 . 1 1 60 60 ALA CA C 60 54.760 54.760 54.192 0.568 25850 334 1 . 1 1 60 60 ALA CB C 60 18.025 18.025 18.703 -0.678 25850 335 1 . 1 1 60 60 ALA H H 60 7.742 7.742 7.542 0.200 25850 336 1 . 1 1 61 61 GLU N N 61 114.493 114.493 115.582 -1.089 25850 337 1 . 1 1 61 61 GLU HA H 61 4.259 4.259 4.172 0.087 25850 338 1 . 1 1 61 61 GLU C C 61 175.970 175.970 176.369 -0.399 25850 339 1 . 1 1 61 61 GLU CA C 61 55.049 55.049 56.357 -1.308 25850 340 1 . 1 1 61 61 GLU CB C 61 29.724 29.724 29.983 -0.259 25850 341 1 . 1 1 61 61 GLU H H 61 7.908 7.908 7.699 0.209 25850 342 1 . 1 1 62 62 HIS N N 62 115.130 115.130 113.435 1.695 25850 343 1 . 1 1 62 62 HIS HA H 62 4.264 4.264 4.310 -0.046 25850 344 1 . 1 1 62 62 HIS C C 62 173.916 173.916 174.105 -0.189 25850 345 1 . 1 1 62 62 HIS CA C 62 56.531 56.531 56.852 -0.321 25850 346 1 . 1 1 62 62 HIS CB C 62 26.039 26.039 27.282 -1.242 25850 347 1 . 1 1 62 62 HIS H H 62 7.830 7.830 7.450 0.380 25850 348 1 . 1 1 63 63 ASP N N 63 118.507 118.507 119.989 -1.482 25850 349 1 . 1 1 63 63 ASP HA H 63 4.854 4.854 4.808 0.046 25850 350 1 . 1 1 63 63 ASP C C 63 176.143 176.143 176.446 -0.303 25850 351 1 . 1 1 63 63 ASP CA C 63 52.127 52.127 53.242 -1.115 25850 352 1 . 1 1 63 63 ASP CB C 63 40.068 40.068 40.885 -0.817 25850 353 1 . 1 1 63 63 ASP H H 63 8.521 8.521 8.176 0.345 25850 354 1 . 1 1 64 64 THR N N 64 119.037 119.037 120.776 -1.739 25850 355 1 . 1 1 64 64 THR HA H 64 3.869 3.869 3.999 -0.130 25850 356 1 . 1 1 64 64 THR C C 64 176.814 176.814 175.532 1.282 25850 357 1 . 1 1 64 64 THR CA C 64 65.198 65.198 65.442 -0.244 25850 358 1 . 1 1 64 64 THR CB C 64 68.315 68.315 68.949 -0.634 25850 359 1 . 1 1 64 64 THR H H 64 7.907 7.907 8.102 -0.195 25850 360 1 . 1 1 65 65 ASP N N 65 122.892 122.892 120.776 2.116 25850 361 1 . 1 1 65 65 ASP HA H 65 4.287 4.287 4.324 -0.037 25850 362 1 . 1 1 65 65 ASP C C 65 178.326 178.326 178.168 0.158 25850 363 1 . 1 1 65 65 ASP CA C 65 57.350 57.350 57.438 -0.088 25850 364 1 . 1 1 65 65 ASP CB C 65 41.121 41.121 40.319 0.802 25850 365 1 . 1 1 65 65 ASP H H 65 8.375 8.375 8.232 0.143 25850 366 1 . 1 1 66 66 GLY N N 66 109.334 109.334 106.635 2.699 25850 367 1 . 1 1 66 66 GLY C C 66 175.861 175.861 175.127 0.734 25850 368 1 . 1 1 66 66 GLY CA C 66 46.136 46.136 45.822 0.314 25850 369 1 . 1 1 66 66 GLY H H 66 8.234 8.234 7.842 0.392 25850 370 1 . 1 1 67 67 ALA N N 67 122.888 122.888 124.810 -1.922 25850 371 1 . 1 1 67 67 ALA HA H 67 3.892 3.892 4.036 -0.144 25850 372 1 . 1 1 67 67 ALA C C 67 179.384 179.384 179.428 -0.044 25850 373 1 . 1 1 67 67 ALA CA C 67 55.960 55.960 54.698 1.262 25850 374 1 . 1 1 67 67 ALA CB C 67 18.611 18.611 18.577 0.034 25850 375 1 . 1 1 67 67 ALA H H 67 7.949 7.949 7.534 0.415 25850 376 1 . 1 1 68 68 ARG N N 68 118.221 118.221 117.667 0.554 25850 377 1 . 1 1 68 68 ARG HA H 68 3.993 3.993 4.020 -0.027 25850 378 1 . 1 1 68 68 ARG C C 68 179.355 179.355 178.661 0.694 25850 379 1 . 1 1 68 68 ARG CA C 68 59.234 59.234 59.106 0.128 25850 380 1 . 1 1 68 68 ARG CB C 68 29.799 29.799 30.000 -0.201 25850 381 1 . 1 1 68 68 ARG H H 68 7.917 7.917 8.005 -0.088 25850 382 1 . 1 1 69 69 ARG N N 69 120.551 120.551 119.868 0.683 25850 383 1 . 1 1 69 69 ARG HA H 69 3.923 3.923 3.980 -0.057 25850 384 1 . 1 1 69 69 ARG C C 69 179.120 179.120 178.075 1.045 25850 385 1 . 1 1 69 69 ARG CA C 69 59.310 59.310 58.870 0.440 25850 386 1 . 1 1 69 69 ARG CB C 69 29.189 29.189 29.624 -0.435 25850 387 1 . 1 1 69 69 ARG H H 69 7.749 7.749 7.693 0.056 25850 388 1 . 1 1 70 70 ALA N N 70 121.098 121.098 121.038 0.060 25850 389 1 . 1 1 70 70 ALA HA H 70 4.016 4.016 4.269 -0.253 25850 390 1 . 1 1 70 70 ALA C C 70 178.438 178.438 179.416 -0.978 25850 391 1 . 1 1 70 70 ALA CA C 70 55.536 55.536 54.779 0.757 25850 392 1 . 1 1 70 70 ALA CB C 70 17.216 17.216 18.324 -1.108 25850 393 1 . 1 1 70 70 ALA H H 70 8.245 8.245 7.910 0.335 25850 394 1 . 1 1 71 71 ALA N N 71 119.333 119.333 120.676 -1.343 25850 395 1 . 1 1 71 71 ALA HA H 71 4.047 4.047 4.131 -0.084 25850 396 1 . 1 1 71 71 ALA C C 71 180.219 180.219 179.352 0.867 25850 397 1 . 1 1 71 71 ALA CA C 71 55.083 55.083 54.860 0.223 25850 398 1 . 1 1 71 71 ALA CB C 71 18.198 18.198 18.303 -0.105 25850 399 1 . 1 1 71 71 ALA H H 71 8.565 8.565 7.908 0.657 25850 400 1 . 1 1 72 72 LYS N N 72 121.188 121.188 119.415 1.773 25850 401 1 . 1 1 72 72 LYS HA H 72 4.107 4.107 4.054 0.053 25850 402 1 . 1 1 72 72 LYS C C 72 179.155 179.155 178.642 0.513 25850 403 1 . 1 1 72 72 LYS CA C 72 59.271 59.271 59.105 0.166 25850 404 1 . 1 1 72 72 LYS CB C 72 31.786 31.786 32.301 -0.515 25850 405 1 . 1 1 72 72 LYS H H 72 8.108 8.108 7.985 0.123 25850 406 1 . 1 1 73 73 SER N N 73 116.976 116.976 115.454 1.522 25850 407 1 . 1 1 73 73 SER HA H 73 3.957 3.957 4.141 -0.184 25850 408 1 . 1 1 73 73 SER C C 73 176.394 176.394 176.490 -0.096 25850 409 1 . 1 1 73 73 SER CA C 73 62.753 62.753 61.061 1.692 25850 410 1 . 1 1 73 73 SER CB C 73 60.718 60.718 62.309 -1.591 25850 411 1 . 1 1 73 73 SER H H 73 8.057 8.057 7.747 0.310 25850 412 1 . 1 1 74 74 LEU N N 74 123.741 123.741 122.427 1.314 25850 413 1 . 1 1 74 74 LEU HA H 74 3.831 3.831 3.889 -0.058 25850 414 1 . 1 1 74 74 LEU C C 74 176.704 176.704 178.394 -1.690 25850 415 1 . 1 1 74 74 LEU CA C 74 58.545 58.545 58.108 0.437 25850 416 1 . 1 1 74 74 LEU CB C 74 41.862 41.862 41.752 0.110 25850 417 1 . 1 1 74 74 LEU H H 74 8.341 8.341 7.929 0.412 25850 418 1 . 1 1 75 75 SER N N 75 113.508 113.508 114.581 -1.073 25850 419 1 . 1 1 75 75 SER HA H 75 4.277 4.277 4.258 0.019 25850 420 1 . 1 1 75 75 SER C C 75 177.668 177.668 176.790 0.878 25850 421 1 . 1 1 75 75 SER CA C 75 61.926 61.926 61.948 -0.022 25850 422 1 . 1 1 75 75 SER CB C 75 62.702 62.702 62.767 -0.065 25850 423 1 . 1 1 75 75 SER H H 75 8.055 8.055 7.946 0.109 25850 424 1 . 1 1 76 76 GLU N N 76 119.999 119.999 120.735 -0.736 25850 425 1 . 1 1 76 76 GLU HA H 76 4.041 4.041 4.155 -0.114 25850 426 1 . 1 1 76 76 GLU C C 76 178.836 178.836 178.699 0.137 25850 427 1 . 1 1 76 76 GLU CA C 76 58.928 58.928 58.893 0.035 25850 428 1 . 1 1 76 76 GLU CB C 76 29.684 29.684 29.462 0.222 25850 429 1 . 1 1 76 76 GLU H H 76 7.874 7.874 7.789 0.085 25850 430 1 . 1 1 77 77 ALA N N 77 123.551 123.551 122.430 1.121 25850 431 1 . 1 1 77 77 ALA HA H 77 4.242 4.242 4.142 0.100 25850 432 1 . 1 1 77 77 ALA C C 77 180.005 180.005 179.794 0.211 25850 433 1 . 1 1 77 77 ALA CA C 77 55.031 55.031 54.730 0.301 25850 434 1 . 1 1 77 77 ALA CB C 77 18.237 18.237 18.464 -0.227 25850 435 1 . 1 1 77 77 ALA H H 77 8.043 8.043 7.580 0.463 25850 436 1 . 1 1 78 78 TYR N N 78 116.371 116.371 117.747 -1.376 25850 437 1 . 1 1 78 78 TYR HA H 78 4.418 4.418 4.197 0.221 25850 438 1 . 1 1 78 78 TYR C C 78 178.901 178.901 178.512 0.389 25850 439 1 . 1 1 78 78 TYR CA C 78 60.302 60.302 60.915 -0.613 25850 440 1 . 1 1 78 78 TYR CB C 78 37.416 37.416 37.613 -0.197 25850 441 1 . 1 1 78 78 TYR H H 78 8.699 8.699 8.311 0.388 25850 442 1 . 1 1 79 79 GLN N N 79 116.649 116.649 118.445 -1.796 25850 443 1 . 1 1 79 79 GLN HA H 79 4.212 4.212 4.096 0.116 25850 444 1 . 1 1 79 79 GLN C C 79 177.778 177.778 177.864 -0.086 25850 445 1 . 1 1 79 79 GLN CA C 79 57.922 57.922 58.869 -0.947 25850 446 1 . 1 1 79 79 GLN CB C 79 28.659 28.659 28.462 0.197 25850 447 1 . 1 1 79 79 GLN H H 79 7.667 7.667 7.908 -0.241 25850 448 1 . 1 1 80 80 LYS N N 80 118.855 118.855 117.844 1.011 25850 449 1 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.174 0.119 25850 450 1 . 1 1 80 80 LYS C C 80 178.038 178.038 178.315 -0.277 25850 451 1 . 1 1 80 80 LYS CA C 80 57.474 57.474 58.594 -1.120 25850 452 1 . 1 1 80 80 LYS CB C 80 32.816 32.816 32.495 0.321 25850 453 1 . 1 1 80 80 LYS H H 80 7.766 7.766 7.543 0.223 25850 454 1 . 1 1 81 81 VAL N N 81 117.863 117.863 118.280 -0.417 25850 455 1 . 1 1 81 81 VAL HA H 81 4.076 4.076 3.913 0.163 25850 456 1 . 1 1 81 81 VAL C C 81 176.805 176.805 177.144 -0.339 25850 457 1 . 1 1 81 81 VAL CA C 81 63.409 63.409 64.645 -1.236 25850 458 1 . 1 1 81 81 VAL CB C 81 32.423 32.423 32.142 0.281 25850 459 1 . 1 1 81 81 VAL H H 81 7.821 7.821 7.549 0.272 25850 460 1 . 1 1 82 82 GLU N N 82 122.552 122.552 119.397 3.155 25850 461 1 . 1 1 82 82 GLU HA H 82 4.277 4.277 4.285 -0.008 25850 462 1 . 1 1 82 82 GLU C C 82 177.559 177.559 177.220 0.339 25850 463 1 . 1 1 82 82 GLU CA C 82 57.300 57.300 56.907 0.393 25850 464 1 . 1 1 82 82 GLU CB C 82 29.927 29.927 29.788 0.139 25850 465 1 . 1 1 82 82 GLU H H 82 8.329 8.329 7.985 0.344 25850 466 1 . 1 1 83 83 GLY N N 83 109.040 109.040 109.896 -0.856 25850 467 1 . 1 1 83 83 GLY C C 83 174.590 174.590 174.203 0.387 25850 468 1 . 1 1 83 83 GLY CA C 83 45.530 45.530 45.415 0.115 25850 469 1 . 1 1 83 83 GLY H H 83 8.309 8.309 8.237 0.072 25850 470 1 . 1 1 84 84 SER N N 84 115.258 115.258 116.406 -1.148 25850 471 1 . 1 1 84 84 SER HA H 84 4.495 4.495 4.472 0.023 25850 472 1 . 1 1 84 84 SER C C 84 175.217 175.217 174.641 0.576 25850 473 1 . 1 1 84 84 SER CA C 84 58.580 58.580 58.514 0.066 25850 474 1 . 1 1 84 84 SER CB C 84 63.827 63.827 63.626 0.201 25850 475 1 . 1 1 84 84 SER H H 84 8.180 8.180 8.104 0.076 25850 476 1 . 1 1 85 85 GLY N N 85 110.681 110.681 111.345 -0.664 25850 477 1 . 1 1 85 85 GLY C C 85 174.063 174.063 173.690 0.373 25850 478 1 . 1 1 85 85 GLY CA C 85 45.395 45.395 45.079 0.316 25850 479 1 . 1 1 85 85 GLY H H 85 8.472 8.472 8.152 0.320 25850 480 1 . 1 1 86 86 ASP N N 86 120.537 120.537 121.589 -1.052 25850 481 1 . 1 1 86 86 ASP HA H 86 4.597 4.597 4.586 0.011 25850 482 1 . 1 1 86 86 ASP C C 86 176.761 176.761 176.035 0.726 25850 483 1 . 1 1 86 86 ASP CA C 86 54.451 54.451 54.295 0.155 25850 484 1 . 1 1 86 86 ASP CB C 86 41.069 41.069 41.495 -0.426 25850 485 1 . 1 1 86 86 ASP H H 86 8.272 8.272 8.273 -0.001 25850 486 1 . 1 1 87 87 LYS N N 87 121.608 121.608 122.154 -0.546 25850 487 1 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.386 -0.140 25850 488 1 . 1 1 87 87 LYS C C 87 177.342 177.342 176.315 1.027 25850 489 1 . 1 1 87 87 LYS CA C 87 56.545 56.545 56.147 0.398 25850 490 1 . 1 1 87 87 LYS CB C 87 32.302 32.302 32.755 -0.453 25850 491 1 . 1 1 87 87 LYS H H 87 8.344 8.344 8.348 -0.004 25850 492 1 . 1 1 88 88 GLY N N 88 108.711 108.711 110.088 -1.377 25850 493 1 . 1 1 88 88 GLY C C 88 174.216 174.216 173.767 0.449 25850 494 1 . 1 1 88 88 GLY CA C 88 45.339 45.339 45.044 0.295 25850 495 1 . 1 1 88 88 GLY H H 88 8.449 8.449 8.269 0.180 25850 496 1 . 1 1 89 89 LYS N N 89 120.508 120.508 121.670 -1.162 25850 497 1 . 1 1 89 89 LYS HA H 89 4.266 4.266 4.225 0.041 25850 498 1 . 1 1 89 89 LYS C C 89 176.464 176.464 175.903 0.561 25850 499 1 . 1 1 89 89 LYS CA C 89 56.214 56.214 55.839 0.375 25850 500 1 . 1 1 89 89 LYS CB C 89 32.824 32.824 32.623 0.201 25850 501 1 . 1 1 89 89 LYS H H 89 7.958 7.958 8.143 -0.185 25850 502 1 . 1 1 90 90 ILE N N 90 121.127 121.127 122.653 -1.526 25850 503 1 . 1 1 90 90 ILE HA H 90 4.091 4.091 4.120 -0.029 25850 504 1 . 1 1 90 90 ILE C C 90 175.896 175.896 175.273 0.623 25850 505 1 . 1 1 90 90 ILE CA C 90 61.022 61.022 60.826 0.196 25850 506 1 . 1 1 90 90 ILE CB C 90 38.488 38.488 37.189 1.299 25850 507 1 . 1 1 90 90 ILE H H 90 8.005 8.005 8.047 -0.042 25850 508 1 . 1 1 91 91 PHE N N 91 123.843 123.843 126.944 -3.101 25850 509 1 . 1 1 91 91 PHE HA H 91 4.615 4.615 4.624 -0.009 25850 510 1 . 1 1 91 91 PHE C C 91 175.327 175.327 175.556 -0.229 25850 511 1 . 1 1 91 91 PHE CA C 91 57.565 57.565 57.465 0.100 25850 512 1 . 1 1 91 91 PHE CB C 91 39.457 39.457 39.948 -0.491 25850 513 1 . 1 1 91 91 PHE H H 91 8.283 8.283 8.240 0.043 25850 514 1 . 1 1 92 92 GLN N N 92 122.349 122.349 124.975 -2.626 25850 515 1 . 1 1 92 92 GLN HA H 92 4.296 4.296 4.272 0.024 25850 516 1 . 1 1 92 92 GLN C C 92 175.338 175.338 175.289 0.049 25850 517 1 . 1 1 92 92 GLN CA C 92 55.492 55.492 55.423 0.069 25850 518 1 . 1 1 92 92 GLN CB C 92 29.708 29.708 29.366 0.342 25850 519 1 . 1 1 92 92 GLN H H 92 8.212 8.212 8.386 -0.174 25850 520 1 . 1 1 93 93 LYS N N 93 123.137 123.137 124.354 -1.217 25850 521 1 . 1 1 93 93 LYS HA H 93 4.250 4.250 4.200 0.050 25850 522 1 . 1 1 93 93 LYS C C 93 176.492 176.492 176.516 -0.024 25850 523 1 . 1 1 93 93 LYS CA C 93 56.272 56.272 56.347 -0.075 25850 524 1 . 1 1 93 93 LYS CB C 93 33.055 33.055 32.800 0.255 25850 525 1 . 1 1 93 93 LYS H H 93 8.364 8.364 8.429 -0.065 25850 526 1 . 1 1 94 94 GLU N N 94 122.671 122.671 124.112 -1.441 25850 527 1 . 1 1 94 94 GLU HA H 94 4.246 4.246 4.369 -0.123 25850 528 1 . 1 1 94 94 GLU C C 94 177.008 177.008 176.572 0.436 25850 529 1 . 1 1 94 94 GLU CA C 94 56.848 56.848 56.197 0.651 25850 530 1 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.089 -0.035 25850 531 1 . 1 1 94 94 GLU H H 94 8.571 8.571 8.585 -0.014 25850 532 1 . 1 1 95 95 GLY N N 95 110.337 110.337 112.111 -1.774 25850 533 1 . 1 1 95 95 GLY C C 95 174.070 174.070 173.902 0.168 25850 534 1 . 1 1 95 95 GLY CA C 95 45.191 45.191 45.103 0.088 25850 535 1 . 1 1 95 95 GLY H H 95 8.490 8.490 8.415 0.075 25850 536 1 . 1 1 96 96 GLU N N 96 120.183 120.183 121.265 -1.082 25850 537 1 . 1 1 96 96 GLU HA H 96 4.339 4.339 4.386 -0.047 25850 538 1 . 1 1 96 96 GLU C C 96 176.463 176.463 175.831 0.632 25850 539 1 . 1 1 96 96 GLU CA C 96 56.204 56.204 56.125 0.079 25850 540 1 . 1 1 96 96 GLU CB C 96 30.433 30.433 30.310 0.123 25850 541 1 . 1 1 96 96 GLU H H 96 8.142 8.142 8.273 -0.131 25850 542 1 . 1 1 97 97 SER N N 97 116.979 116.979 117.645 -0.666 25850 543 1 . 1 1 97 97 SER HA H 97 4.472 4.472 4.538 -0.066 25850 544 1 . 1 1 97 97 SER C C 97 174.162 174.162 174.023 0.139 25850 545 1 . 1 1 97 97 SER CA C 97 58.070 58.070 58.027 0.043 25850 546 1 . 1 1 97 97 SER CB C 97 63.710 63.710 63.428 0.281 25850 547 1 . 1 1 97 97 SER H H 97 8.381 8.381 8.423 -0.042 25850 548 1 . 1 1 98 98 ILE N N 98 122.626 122.626 123.305 -0.679 25850 549 1 . 1 1 98 98 ILE HA H 98 4.201 4.201 4.264 -0.063 25850 550 1 . 1 1 98 98 ILE C C 98 175.921 175.921 175.593 0.328 25850 551 1 . 1 1 98 98 ILE CA C 98 60.947 60.947 61.207 -0.260 25850 552 1 . 1 1 98 98 ILE CB C 98 38.616 38.616 38.057 0.559 25850 553 1 . 1 1 98 98 ILE H H 98 8.216 8.216 8.283 -0.067 25850 554 1 . 1 1 99 99 LEU N N 99 126.765 126.765 124.508 2.257 25850 555 1 . 1 1 99 99 LEU HA H 99 4.399 4.399 4.578 -0.179 25850 556 1 . 1 1 99 99 LEU C C 99 176.093 176.093 176.549 -0.456 25850 557 1 . 1 1 99 99 LEU CA C 99 54.853 54.853 54.703 0.150 25850 558 1 . 1 1 99 99 LEU CB C 99 42.135 42.135 42.623 -0.488 25850 559 1 . 1 1 99 99 LEU H H 99 8.326 8.326 8.319 0.007 25850 stop_ save_