data_25786 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25786 _Entry.PDB_ID 2N6Y 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 25786 _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 15 15 ASN N N 15 119.857 119.857 119.507 0.350 25786 2 1 1 . 1 1 15 15 ASN HA H 15 4.719 4.719 4.763 -0.044 25786 3 1 1 . 1 1 15 15 ASN C C 15 175.735 175.735 174.764 0.971 25786 4 1 1 . 1 1 15 15 ASN CA C 15 53.556 53.556 54.136 -0.580 25786 5 1 1 . 1 1 15 15 ASN CB C 15 38.731 38.731 37.985 0.746 25786 6 1 1 . 1 1 15 15 ASN H H 15 8.425 8.425 8.599 -0.174 25786 7 1 1 . 1 1 16 16 ARG N N 16 122.030 122.030 123.682 -1.652 25786 8 1 1 . 1 1 16 16 ARG HA H 16 4.211 4.211 4.451 -0.240 25786 9 1 1 . 1 1 16 16 ARG C C 16 176.669 176.669 177.848 -1.179 25786 10 1 1 . 1 1 16 16 ARG CA C 16 57.735 57.735 56.397 1.338 25786 11 1 1 . 1 1 16 16 ARG CB C 16 30.224 30.224 30.157 0.067 25786 12 1 1 . 1 1 16 16 ARG H H 16 8.347 8.347 8.113 0.234 25786 13 1 1 . 1 1 17 17 HIS N N 17 118.590 118.590 120.112 -1.522 25786 14 1 1 . 1 1 17 17 HIS HA H 17 4.563 4.563 4.505 0.058 25786 15 1 1 . 1 1 17 17 HIS C C 17 176.284 176.284 177.405 -1.121 25786 16 1 1 . 1 1 17 17 HIS CA C 17 58.394 58.394 59.150 -0.756 25786 17 1 1 . 1 1 17 17 HIS CB C 17 30.362 30.362 29.811 0.551 25786 18 1 1 . 1 1 17 17 HIS H H 17 8.395 8.395 7.984 0.411 25786 19 1 1 . 1 1 18 18 ALA N N 18 122.047 122.047 121.341 0.706 25786 20 1 1 . 1 1 18 18 ALA HA H 18 4.182 4.182 4.264 -0.082 25786 21 1 1 . 1 1 18 18 ALA C C 18 180.003 180.003 178.163 1.840 25786 22 1 1 . 1 1 18 18 ALA CA C 18 54.294 54.294 54.151 0.143 25786 23 1 1 . 1 1 18 18 ALA CB C 18 18.849 18.849 17.982 0.867 25786 24 1 1 . 1 1 18 18 ALA H H 18 8.436 8.436 8.604 -0.168 25786 25 1 1 . 1 1 19 19 ALA N N 19 122.607 122.607 120.270 2.337 25786 26 1 1 . 1 1 19 19 ALA HA H 19 4.275 4.275 4.134 0.141 25786 27 1 1 . 1 1 19 19 ALA C C 19 180.295 180.295 178.820 1.475 25786 28 1 1 . 1 1 19 19 ALA CA C 19 55.040 55.040 54.563 0.477 25786 29 1 1 . 1 1 19 19 ALA CB C 19 18.267 18.267 18.713 -0.446 25786 30 1 1 . 1 1 19 19 ALA H H 19 8.402 8.402 7.585 0.817 25786 31 1 1 . 1 1 20 20 ASP N N 20 118.796 118.796 119.151 -0.355 25786 32 1 1 . 1 1 20 20 ASP HA H 20 4.837 4.837 4.579 0.258 25786 33 1 1 . 1 1 20 20 ASP C C 20 177.313 177.313 177.831 -0.518 25786 34 1 1 . 1 1 20 20 ASP CA C 20 56.725 56.725 56.641 0.084 25786 35 1 1 . 1 1 20 20 ASP CB C 20 40.189 40.189 41.200 -1.011 25786 36 1 1 . 1 1 20 20 ASP H H 20 8.317 8.317 8.077 0.240 25786 37 1 1 . 1 1 21 21 TYR N N 21 120.958 120.958 120.415 0.543 25786 38 1 1 . 1 1 21 21 TYR HA H 21 4.058 4.058 4.326 -0.268 25786 39 1 1 . 1 1 21 21 TYR C C 21 176.282 176.282 177.189 -0.907 25786 40 1 1 . 1 1 21 21 TYR CA C 21 61.892 61.892 61.161 0.731 25786 41 1 1 . 1 1 21 21 TYR CB C 21 38.655 38.655 38.508 0.147 25786 42 1 1 . 1 1 21 21 TYR H H 21 8.679 8.679 7.727 0.952 25786 43 1 1 . 1 1 22 22 GLN N N 22 117.715 117.715 118.544 -0.829 25786 44 1 1 . 1 1 22 22 GLN HA H 22 3.826 3.826 4.016 -0.190 25786 45 1 1 . 1 1 22 22 GLN C C 22 178.197 178.197 178.299 -0.102 25786 46 1 1 . 1 1 22 22 GLN CA C 22 59.110 59.110 59.431 -0.321 25786 47 1 1 . 1 1 22 22 GLN CB C 22 27.430 27.430 27.907 -0.477 25786 48 1 1 . 1 1 22 22 GLN H H 22 8.236 8.236 7.837 0.399 25786 49 1 1 . 1 1 23 23 GLN N N 23 118.526 118.526 118.504 0.022 25786 50 1 1 . 1 1 23 23 GLN HA H 23 4.100 4.100 4.223 -0.123 25786 51 1 1 . 1 1 23 23 GLN C C 23 177.521 177.521 178.807 -1.286 25786 52 1 1 . 1 1 23 23 GLN CA C 23 58.915 58.915 58.729 0.186 25786 53 1 1 . 1 1 23 23 GLN CB C 23 29.032 29.032 28.152 0.880 25786 54 1 1 . 1 1 23 23 GLN H H 23 8.003 8.003 7.915 0.088 25786 55 1 1 . 1 1 24 24 LEU N N 24 121.914 121.914 121.610 0.304 25786 56 1 1 . 1 1 24 24 LEU HA H 24 3.444 3.444 3.254 0.190 25786 57 1 1 . 1 1 24 24 LEU C C 24 176.882 176.882 177.900 -1.018 25786 58 1 1 . 1 1 24 24 LEU CA C 24 58.115 58.115 57.420 0.695 25786 59 1 1 . 1 1 24 24 LEU CB C 24 41.704 41.704 41.283 0.421 25786 60 1 1 . 1 1 24 24 LEU H H 24 8.031 8.031 7.645 0.386 25786 61 1 1 . 1 1 25 25 ARG N N 25 116.645 116.645 118.941 -2.296 25786 62 1 1 . 1 1 25 25 ARG HA H 25 3.395 3.395 3.554 -0.159 25786 63 1 1 . 1 1 25 25 ARG C C 25 177.469 177.469 178.317 -0.848 25786 64 1 1 . 1 1 25 25 ARG CA C 25 60.246 60.246 59.790 0.456 25786 65 1 1 . 1 1 25 25 ARG CB C 25 29.925 29.925 29.867 0.058 25786 66 1 1 . 1 1 25 25 ARG H H 25 7.981 7.981 8.082 -0.101 25786 67 1 1 . 1 1 26 26 GLU N N 26 115.943 115.943 118.418 -2.475 25786 68 1 1 . 1 1 26 26 GLU HA H 26 3.832 3.832 3.911 -0.079 25786 69 1 1 . 1 1 26 26 GLU C C 26 179.682 179.682 179.046 0.636 25786 70 1 1 . 1 1 26 26 GLU CA C 26 59.517 59.517 59.384 0.133 25786 71 1 1 . 1 1 26 26 GLU CB C 26 29.439 29.439 29.397 0.042 25786 72 1 1 . 1 1 26 26 GLU H H 26 8.160 8.160 8.402 -0.242 25786 73 1 1 . 1 1 27 27 ARG N N 27 118.766 118.766 120.131 -1.365 25786 74 1 1 . 1 1 27 27 ARG HA H 27 4.144 4.144 4.120 0.024 25786 75 1 1 . 1 1 27 27 ARG C C 27 179.241 179.241 178.576 0.665 25786 76 1 1 . 1 1 27 27 ARG CA C 27 58.855 58.855 58.913 -0.058 25786 77 1 1 . 1 1 27 27 ARG CB C 27 29.996 29.996 30.254 -0.258 25786 78 1 1 . 1 1 27 27 ARG H H 27 8.283 8.283 7.963 0.320 25786 79 1 1 . 1 1 28 28 LEU N N 28 122.077 122.077 120.598 1.479 25786 80 1 1 . 1 1 28 28 LEU HA H 28 4.106 4.106 3.939 0.167 25786 81 1 1 . 1 1 28 28 LEU C C 28 178.766 178.766 179.028 -0.262 25786 82 1 1 . 1 1 28 28 LEU CA C 28 58.558 58.558 57.977 0.581 25786 83 1 1 . 1 1 28 28 LEU CB C 28 42.514 42.514 41.463 1.051 25786 84 1 1 . 1 1 28 28 LEU H H 28 8.389 8.389 8.236 0.153 25786 85 1 1 . 1 1 29 29 ILE N N 29 117.586 117.586 118.995 -1.409 25786 86 1 1 . 1 1 29 29 ILE HA H 29 3.339 3.339 3.555 -0.216 25786 87 1 1 . 1 1 29 29 ILE C C 29 177.927 177.927 177.717 0.210 25786 88 1 1 . 1 1 29 29 ILE CA C 29 66.203 66.203 66.181 0.022 25786 89 1 1 . 1 1 29 29 ILE CB C 29 37.823 37.823 37.372 0.451 25786 90 1 1 . 1 1 29 29 ILE H H 29 7.914 7.914 7.558 0.356 25786 91 1 1 . 1 1 30 30 GLN N N 30 116.395 116.395 117.289 -0.894 25786 92 1 1 . 1 1 30 30 GLN HA H 30 4.157 4.157 4.121 0.036 25786 93 1 1 . 1 1 30 30 GLN C C 30 179.400 179.400 178.534 0.866 25786 94 1 1 . 1 1 30 30 GLN CA C 30 58.410 58.410 57.887 0.523 25786 95 1 1 . 1 1 30 30 GLN CB C 30 28.804 28.804 28.012 0.792 25786 96 1 1 . 1 1 30 30 GLN H H 30 7.287 7.287 7.661 -0.374 25786 97 1 1 . 1 1 31 31 GLU N N 31 120.336 120.336 121.091 -0.755 25786 98 1 1 . 1 1 31 31 GLU HA H 31 4.023 4.023 4.155 -0.132 25786 99 1 1 . 1 1 31 31 GLU C C 31 178.395 178.395 178.428 -0.033 25786 100 1 1 . 1 1 31 31 GLU CA C 31 59.377 59.377 58.986 0.391 25786 101 1 1 . 1 1 31 31 GLU CB C 31 30.436 30.436 29.756 0.680 25786 102 1 1 . 1 1 31 31 GLU H H 31 8.814 8.814 8.627 0.187 25786 103 1 1 . 1 1 32 32 LEU N N 32 115.139 115.139 115.747 -0.608 25786 104 1 1 . 1 1 32 32 LEU HA H 32 4.377 4.377 4.389 -0.012 25786 105 1 1 . 1 1 32 32 LEU C C 32 176.033 176.033 176.316 -0.283 25786 106 1 1 . 1 1 32 32 LEU CA C 32 54.101 54.101 54.922 -0.821 25786 107 1 1 . 1 1 32 32 LEU CB C 32 41.354 41.354 42.157 -0.803 25786 108 1 1 . 1 1 32 32 LEU H H 32 8.109 8.109 7.865 0.244 25786 109 1 1 . 1 1 33 33 ASN N N 33 116.751 116.751 116.517 0.234 25786 110 1 1 . 1 1 33 33 ASN HA H 33 4.453 4.453 4.378 0.075 25786 111 1 1 . 1 1 33 33 ASN C C 33 174.288 174.288 174.193 0.095 25786 112 1 1 . 1 1 33 33 ASN CA C 33 54.024 54.024 53.957 0.067 25786 113 1 1 . 1 1 33 33 ASN CB C 33 36.929 36.929 37.592 -0.663 25786 114 1 1 . 1 1 33 33 ASN H H 33 7.796 7.796 7.412 0.384 25786 115 1 1 . 1 1 34 34 LEU N N 34 117.139 117.139 118.372 -1.233 25786 116 1 1 . 1 1 34 34 LEU HA H 34 4.787 4.787 4.864 -0.077 25786 117 1 1 . 1 1 34 34 LEU C C 34 176.521 176.521 175.361 1.160 25786 118 1 1 . 1 1 34 34 LEU CA C 34 53.079 53.079 53.465 -0.386 25786 119 1 1 . 1 1 34 34 LEU CB C 34 44.673 44.673 46.382 -1.709 25786 120 1 1 . 1 1 34 34 LEU H H 34 7.728 7.728 8.734 -1.006 25786 121 1 1 . 1 1 35 35 THR N N 35 110.751 110.751 108.042 2.709 25786 122 1 1 . 1 1 35 35 THR HA H 35 4.803 4.803 4.856 -0.053 25786 123 1 1 . 1 1 35 35 THR C C 35 174.438 174.438 173.384 1.054 25786 124 1 1 . 1 1 35 35 THR CA C 35 59.445 59.445 58.444 1.001 25786 125 1 1 . 1 1 35 35 THR CB C 35 68.651 68.651 69.640 -0.989 25786 126 1 1 . 1 1 35 35 THR H H 35 8.001 8.001 8.003 -0.002 25786 127 1 1 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.464 -0.387 25786 128 1 1 . 1 1 36 36 PRO CA C 36 65.645 65.645 65.010 0.635 25786 129 1 1 . 1 1 36 36 PRO CB C 36 31.632 31.632 32.137 -0.505 25786 130 1 1 . 1 1 37 37 GLN N N 37 112.874 112.874 114.128 -1.254 25786 131 1 1 . 1 1 37 37 GLN HA H 37 4.105 4.105 4.350 -0.245 25786 132 1 1 . 1 1 37 37 GLN C C 37 176.960 176.960 176.954 0.006 25786 133 1 1 . 1 1 37 37 GLN CA C 37 57.891 57.891 56.414 1.477 25786 134 1 1 . 1 1 37 37 GLN CB C 37 27.902 27.902 27.960 -0.059 25786 135 1 1 . 1 1 37 37 GLN H H 37 8.005 8.005 8.295 -0.290 25786 136 1 1 . 1 1 38 38 GLN N N 38 116.477 116.477 118.839 -2.362 25786 137 1 1 . 1 1 38 38 GLN HA H 38 4.187 4.187 4.377 -0.190 25786 138 1 1 . 1 1 38 38 GLN C C 38 175.508 175.508 176.480 -0.972 25786 139 1 1 . 1 1 38 38 GLN CA C 38 56.398 56.398 56.168 0.230 25786 140 1 1 . 1 1 38 38 GLN CB C 38 31.126 31.126 30.715 0.411 25786 141 1 1 . 1 1 38 38 GLN H H 38 7.663 7.663 7.810 -0.147 25786 142 1 1 . 1 1 39 39 LEU N N 39 120.726 120.726 122.616 -1.890 25786 143 1 1 . 1 1 39 39 LEU HA H 39 4.371 4.371 4.561 -0.190 25786 144 1 1 . 1 1 39 39 LEU C C 39 174.277 174.277 174.796 -0.519 25786 145 1 1 . 1 1 39 39 LEU CA C 39 53.959 53.959 53.608 0.351 25786 146 1 1 . 1 1 39 39 LEU CB C 39 41.610 41.610 41.708 -0.098 25786 147 1 1 . 1 1 39 39 LEU H H 39 7.286 7.286 8.312 -1.026 25786 148 1 1 . 1 1 40 40 HIS N N 40 124.680 124.680 124.696 -0.016 25786 149 1 1 . 1 1 40 40 HIS HA H 40 4.808 4.808 4.645 0.163 25786 150 1 1 . 1 1 40 40 HIS C C 40 176.727 176.727 176.027 0.700 25786 151 1 1 . 1 1 40 40 HIS CA C 40 54.762 54.762 55.840 -1.078 25786 152 1 1 . 1 1 40 40 HIS CB C 40 31.521 31.521 32.913 -1.392 25786 153 1 1 . 1 1 40 40 HIS H H 40 8.158 8.158 7.932 0.226 25786 154 1 1 . 1 1 41 41 GLU HA H 41 4.029 4.029 3.874 0.155 25786 155 1 1 . 1 1 42 42 GLU N N 42 113.813 113.813 118.213 -4.400 25786 156 1 1 . 1 1 42 42 GLU HA H 42 4.547 4.547 4.238 0.309 25786 157 1 1 . 1 1 42 42 GLU C C 42 176.680 176.680 176.731 -0.051 25786 158 1 1 . 1 1 42 42 GLU CA C 42 55.313 55.313 56.058 -0.745 25786 159 1 1 . 1 1 42 42 GLU CB C 42 29.165 29.165 29.047 0.119 25786 160 1 1 . 1 1 42 42 GLU H H 42 8.808 8.808 7.800 1.008 25786 161 1 1 . 1 1 43 43 SER N N 43 118.066 118.066 117.749 0.317 25786 162 1 1 . 1 1 43 43 SER HA H 43 4.088 4.088 4.358 -0.270 25786 163 1 1 . 1 1 43 43 SER C C 43 173.663 173.663 173.654 0.009 25786 164 1 1 . 1 1 43 43 SER CA C 43 60.156 60.156 58.877 1.279 25786 165 1 1 . 1 1 43 43 SER CB C 43 62.827 62.827 63.723 -0.896 25786 166 1 1 . 1 1 43 43 SER H H 43 7.485 7.485 7.511 -0.026 25786 167 1 1 . 1 1 44 44 ASN N N 44 123.218 123.218 120.901 2.317 25786 168 1 1 . 1 1 44 44 ASN HA H 44 4.392 4.392 4.851 -0.459 25786 169 1 1 . 1 1 44 44 ASN C C 44 176.926 176.926 175.894 1.032 25786 170 1 1 . 1 1 44 44 ASN CA C 44 53.987 53.987 53.626 0.361 25786 171 1 1 . 1 1 44 44 ASN CB C 44 38.433 38.433 39.075 -0.642 25786 172 1 1 . 1 1 44 44 ASN H H 44 8.811 8.811 8.412 0.399 25786 173 1 1 . 1 1 45 45 LEU N N 45 128.735 128.735 124.806 3.929 25786 174 1 1 . 1 1 45 45 LEU HA H 45 3.722 3.722 4.063 -0.341 25786 175 1 1 . 1 1 45 45 LEU C C 45 178.143 178.143 178.540 -0.397 25786 176 1 1 . 1 1 45 45 LEU CA C 45 57.149 57.149 56.685 0.464 25786 177 1 1 . 1 1 45 45 LEU CB C 45 42.250 42.250 42.016 0.235 25786 178 1 1 . 1 1 45 45 LEU H H 45 9.385 9.385 8.539 0.846 25786 179 1 1 . 1 1 46 46 ILE N N 46 119.379 119.379 120.697 -1.318 25786 180 1 1 . 1 1 46 46 ILE HA H 46 4.187 4.187 4.075 0.112 25786 181 1 1 . 1 1 46 46 ILE C C 46 180.926 180.926 179.202 1.724 25786 182 1 1 . 1 1 46 46 ILE CA C 46 63.814 63.814 64.497 -0.683 25786 183 1 1 . 1 1 46 46 ILE CB C 46 36.709 36.709 37.747 -1.038 25786 184 1 1 . 1 1 46 46 ILE H H 46 7.659 7.659 7.740 -0.081 25786 185 1 1 . 1 1 47 47 GLN N N 47 121.737 121.737 118.362 3.375 25786 186 1 1 . 1 1 47 47 GLN HA H 47 3.989 3.989 4.161 -0.172 25786 187 1 1 . 1 1 47 47 GLN C C 47 177.739 177.739 176.450 1.289 25786 188 1 1 . 1 1 47 47 GLN CA C 47 58.033 58.033 57.823 0.210 25786 189 1 1 . 1 1 47 47 GLN CB C 47 27.985 27.985 27.886 0.099 25786 190 1 1 . 1 1 47 47 GLN H H 47 8.161 8.161 8.640 -0.479 25786 191 1 1 . 1 1 48 48 ALA N N 48 117.777 117.777 120.130 -2.353 25786 192 1 1 . 1 1 48 48 ALA HA H 48 4.260 4.260 4.467 -0.207 25786 193 1 1 . 1 1 48 48 ALA C C 48 176.582 176.582 177.300 -0.718 25786 194 1 1 . 1 1 48 48 ALA CA C 48 52.710 52.710 51.569 1.141 25786 195 1 1 . 1 1 48 48 ALA CB C 48 18.601 18.601 20.031 -1.430 25786 196 1 1 . 1 1 48 48 ALA H H 48 7.448 7.448 7.420 0.028 25786 197 1 1 . 1 1 49 49 GLY N N 49 102.932 102.932 106.127 -3.195 25786 198 1 1 . 1 1 49 49 GLY C C 49 174.451 174.451 172.982 1.469 25786 199 1 1 . 1 1 49 49 GLY CA C 49 44.967 44.967 44.849 0.118 25786 200 1 1 . 1 1 49 49 GLY H H 49 7.445 7.445 7.850 -0.405 25786 201 1 1 . 1 1 50 50 LEU N N 50 123.058 123.058 122.626 0.432 25786 202 1 1 . 1 1 50 50 LEU HA H 50 4.257 4.257 4.673 -0.416 25786 203 1 1 . 1 1 50 50 LEU C C 50 173.460 173.460 175.205 -1.745 25786 204 1 1 . 1 1 50 50 LEU CA C 50 55.909 55.909 53.517 2.392 25786 205 1 1 . 1 1 50 50 LEU CB C 50 41.454 41.454 43.098 -1.644 25786 206 1 1 . 1 1 50 50 LEU H H 50 8.545 8.545 7.978 0.567 25786 207 1 1 . 1 1 54 54 ARG N N 54 121.407 121.407 122.412 -1.005 25786 208 1 1 . 1 1 54 54 ARG HA H 54 4.088 4.088 3.847 0.241 25786 209 1 1 . 1 1 54 54 ARG C C 54 179.647 179.647 177.751 1.896 25786 210 1 1 . 1 1 54 54 ARG CA C 54 59.615 59.615 59.466 0.149 25786 211 1 1 . 1 1 54 54 ARG CB C 54 30.633 30.633 30.810 -0.177 25786 212 1 1 . 1 1 54 54 ARG H H 54 8.412 8.412 8.988 -0.576 25786 213 1 1 . 1 1 55 55 LEU N N 55 121.118 121.118 121.134 -0.016 25786 214 1 1 . 1 1 55 55 LEU HA H 55 4.332 4.332 4.339 -0.007 25786 215 1 1 . 1 1 55 55 LEU C C 55 178.416 178.416 178.597 -0.181 25786 216 1 1 . 1 1 55 55 LEU CA C 55 59.035 59.035 58.618 0.417 25786 217 1 1 . 1 1 55 55 LEU CB C 55 41.718 41.718 41.183 0.535 25786 218 1 1 . 1 1 55 55 LEU H H 55 9.050 9.050 8.122 0.928 25786 219 1 1 . 1 1 56 56 MET N N 56 117.969 117.969 116.602 1.367 25786 220 1 1 . 1 1 56 56 MET HA H 56 4.284 4.284 4.181 0.103 25786 221 1 1 . 1 1 56 56 MET C C 56 178.301 178.301 178.416 -0.115 25786 222 1 1 . 1 1 56 56 MET CA C 56 57.927 57.927 57.730 0.197 25786 223 1 1 . 1 1 56 56 MET CB C 56 31.317 31.317 31.599 -0.282 25786 224 1 1 . 1 1 56 56 MET H H 56 7.875 7.875 7.944 -0.069 25786 225 1 1 . 1 1 57 57 ARG N N 57 119.532 119.532 119.789 -0.257 25786 226 1 1 . 1 1 57 57 ARG HA H 57 4.096 4.096 4.083 0.013 25786 227 1 1 . 1 1 57 57 ARG C C 57 180.458 180.458 179.056 1.402 25786 228 1 1 . 1 1 57 57 ARG CA C 57 59.770 59.770 59.541 0.229 25786 229 1 1 . 1 1 57 57 ARG CB C 57 29.520 29.520 29.882 -0.362 25786 230 1 1 . 1 1 57 57 ARG H H 57 7.609 7.609 8.159 -0.550 25786 231 1 1 . 1 1 58 58 TRP N N 58 121.820 121.820 119.954 1.866 25786 232 1 1 . 1 1 58 58 TRP HA H 58 4.465 4.465 4.425 0.040 25786 233 1 1 . 1 1 58 58 TRP C C 58 177.973 177.973 178.501 -0.528 25786 234 1 1 . 1 1 58 58 TRP CA C 58 61.063 61.063 59.622 1.441 25786 235 1 1 . 1 1 58 58 TRP CB C 58 28.348 28.348 29.517 -1.169 25786 236 1 1 . 1 1 58 58 TRP H H 58 8.207 8.207 8.389 -0.182 25786 237 1 1 . 1 1 59 59 LEU N N 59 121.654 121.654 122.166 -0.512 25786 238 1 1 . 1 1 59 59 LEU HA H 59 4.274 4.274 4.291 -0.017 25786 239 1 1 . 1 1 59 59 LEU C C 59 178.823 178.823 178.306 0.517 25786 240 1 1 . 1 1 59 59 LEU CA C 59 59.044 59.044 57.645 1.399 25786 241 1 1 . 1 1 59 59 LEU CB C 59 40.851 40.851 41.581 -0.730 25786 242 1 1 . 1 1 59 59 LEU H H 59 8.599 8.599 8.173 0.426 25786 243 1 1 . 1 1 60 60 HIS N N 60 116.952 116.952 117.378 -0.426 25786 244 1 1 . 1 1 60 60 HIS HA H 60 4.389 4.389 4.370 0.019 25786 245 1 1 . 1 1 60 60 HIS C C 60 177.635 177.635 177.412 0.223 25786 246 1 1 . 1 1 60 60 HIS CA C 60 59.755 59.755 58.817 0.938 25786 247 1 1 . 1 1 60 60 HIS CB C 60 30.083 30.083 29.723 0.360 25786 248 1 1 . 1 1 60 60 HIS H H 60 7.909 7.909 7.992 -0.083 25786 249 1 1 . 1 1 61 61 TRP N N 61 123.194 123.194 122.522 0.672 25786 250 1 1 . 1 1 61 61 TRP HA H 61 4.032 4.032 4.413 -0.381 25786 251 1 1 . 1 1 61 61 TRP C C 61 179.298 179.298 177.465 1.833 25786 252 1 1 . 1 1 61 61 TRP CA C 61 62.541 62.541 60.985 1.556 25786 253 1 1 . 1 1 61 61 TRP CB C 61 28.839 28.839 29.687 -0.848 25786 254 1 1 . 1 1 61 61 TRP H H 61 8.142 8.142 7.482 0.660 25786 255 1 1 . 1 1 62 62 PHE N N 62 120.038 120.038 119.638 0.400 25786 256 1 1 . 1 1 62 62 PHE HA H 62 4.205 4.205 3.857 0.348 25786 257 1 1 . 1 1 62 62 PHE C C 62 179.080 179.080 178.518 0.562 25786 258 1 1 . 1 1 62 62 PHE CA C 62 63.629 63.629 62.859 0.770 25786 259 1 1 . 1 1 62 62 PHE CB C 62 38.664 38.664 38.498 0.166 25786 260 1 1 . 1 1 62 62 PHE H H 62 9.447 9.447 8.988 0.459 25786 261 1 1 . 1 1 63 63 ARG N N 63 118.560 118.560 117.168 1.392 25786 262 1 1 . 1 1 63 63 ARG HA H 63 4.258 4.258 4.174 0.084 25786 263 1 1 . 1 1 63 63 ARG C C 63 181.328 181.328 178.625 2.703 25786 264 1 1 . 1 1 63 63 ARG CA C 63 59.257 59.257 59.316 -0.059 25786 265 1 1 . 1 1 63 63 ARG CB C 63 29.697 29.697 29.982 -0.285 25786 266 1 1 . 1 1 63 63 ARG H H 63 8.665 8.665 8.674 -0.009 25786 267 1 1 . 1 1 64 64 LYS N N 64 122.759 122.759 120.028 2.731 25786 268 1 1 . 1 1 64 64 LYS HA H 64 4.019 4.019 4.154 -0.135 25786 269 1 1 . 1 1 64 64 LYS C C 64 177.595 177.595 178.534 -0.939 25786 270 1 1 . 1 1 64 64 LYS CA C 64 58.651 58.651 58.848 -0.197 25786 271 1 1 . 1 1 64 64 LYS CB C 64 31.510 31.510 32.372 -0.862 25786 272 1 1 . 1 1 64 64 LYS H H 64 8.690 8.690 7.725 0.965 25786 273 1 1 . 1 1 65 65 ASN N N 65 115.681 115.681 115.539 0.142 25786 274 1 1 . 1 1 65 65 ASN HA H 65 4.532 4.532 4.559 -0.027 25786 275 1 1 . 1 1 65 65 ASN C C 65 173.405 173.405 175.462 -2.057 25786 276 1 1 . 1 1 65 65 ASN CA C 65 53.685 53.685 53.784 -0.099 25786 277 1 1 . 1 1 65 65 ASN CB C 65 39.038 39.038 38.721 0.317 25786 278 1 1 . 1 1 65 65 ASN H H 65 7.246 7.246 8.053 -0.807 25786 279 1 1 . 1 1 66 66 GLY N N 66 105.186 105.186 105.688 -0.502 25786 280 1 1 . 1 1 66 66 GLY C C 66 173.869 173.869 174.036 -0.167 25786 281 1 1 . 1 1 66 66 GLY CA C 66 45.539 45.539 44.835 0.704 25786 282 1 1 . 1 1 66 66 GLY H H 66 7.603 7.603 7.632 -0.029 25786 283 1 1 . 1 1 67 67 TYR N N 67 119.699 119.699 122.376 -2.677 25786 284 1 1 . 1 1 67 67 TYR HA H 67 4.542 4.542 4.449 0.093 25786 285 1 1 . 1 1 67 67 TYR C C 67 175.838 175.838 175.265 0.573 25786 286 1 1 . 1 1 67 67 TYR CA C 67 57.858 57.858 57.362 0.496 25786 287 1 1 . 1 1 67 67 TYR CB C 67 38.564 38.564 36.905 1.659 25786 288 1 1 . 1 1 67 67 TYR H H 67 8.248 8.248 8.321 -0.073 25786 289 1 1 . 1 1 68 68 ARG N N 68 125.588 125.588 125.675 -0.087 25786 290 1 1 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.467 -0.078 25786 291 1 1 . 1 1 68 68 ARG C C 68 174.479 174.479 175.542 -1.063 25786 292 1 1 . 1 1 68 68 ARG CA C 68 55.649 55.649 55.586 0.063 25786 293 1 1 . 1 1 68 68 ARG CB C 68 28.357 28.357 28.973 -0.616 25786 294 1 1 . 1 1 68 68 ARG H H 68 8.550 8.550 8.379 0.171 25786 295 1 1 . 1 1 69 69 LEU N N 69 122.034 122.034 123.301 -1.267 25786 296 1 1 . 1 1 69 69 LEU HA H 69 4.711 4.711 4.740 -0.029 25786 297 1 1 . 1 1 69 69 LEU C C 69 175.630 175.630 176.680 -1.050 25786 298 1 1 . 1 1 69 69 LEU CA C 69 53.367 53.367 53.727 -0.360 25786 299 1 1 . 1 1 69 69 LEU CB C 69 44.286 44.286 43.192 1.094 25786 300 1 1 . 1 1 69 69 LEU H H 69 7.421 7.421 7.972 -0.551 25786 301 1 1 . 1 1 70 70 THR N N 70 109.789 109.789 114.251 -4.462 25786 302 1 1 . 1 1 70 70 THR HA H 70 4.721 4.721 4.502 0.219 25786 303 1 1 . 1 1 70 70 THR C C 70 174.636 174.636 174.926 -0.290 25786 304 1 1 . 1 1 70 70 THR CA C 70 59.377 59.377 61.096 -1.720 25786 305 1 1 . 1 1 70 70 THR CB C 70 72.180 72.180 70.941 1.239 25786 306 1 1 . 1 1 70 70 THR H H 70 8.163 8.163 8.002 0.161 25786 307 1 1 . 1 1 71 71 LEU N N 71 122.563 122.563 123.376 -0.813 25786 308 1 1 . 1 1 71 71 LEU HA H 71 3.885 3.885 4.316 -0.431 25786 309 1 1 . 1 1 71 71 LEU C C 71 178.632 178.632 177.886 0.746 25786 310 1 1 . 1 1 71 71 LEU CA C 71 58.196 58.196 57.996 0.200 25786 311 1 1 . 1 1 71 71 LEU CB C 71 41.940 41.940 42.092 -0.152 25786 312 1 1 . 1 1 71 71 LEU H H 71 8.825 8.825 8.706 0.119 25786 313 1 1 . 1 1 72 72 ARG N N 72 115.949 115.949 118.588 -2.639 25786 314 1 1 . 1 1 72 72 ARG HA H 72 3.876 3.876 4.199 -0.323 25786 315 1 1 . 1 1 72 72 ARG C C 72 178.893 178.893 178.560 0.333 25786 316 1 1 . 1 1 72 72 ARG CA C 72 59.147 59.147 59.338 -0.191 25786 317 1 1 . 1 1 72 72 ARG CB C 72 29.631 29.631 28.993 0.638 25786 318 1 1 . 1 1 72 72 ARG H H 72 8.244 8.244 8.493 -0.249 25786 319 1 1 . 1 1 73 73 GLU N N 73 117.665 117.665 119.833 -2.168 25786 320 1 1 . 1 1 73 73 GLU HA H 73 3.951 3.951 4.127 -0.176 25786 321 1 1 . 1 1 73 73 GLU C C 73 178.762 178.762 179.080 -0.318 25786 322 1 1 . 1 1 73 73 GLU CA C 73 59.092 59.092 59.790 -0.698 25786 323 1 1 . 1 1 73 73 GLU CB C 73 29.739 29.739 28.557 1.182 25786 324 1 1 . 1 1 73 73 GLU H H 73 7.461 7.461 8.729 -1.268 25786 325 1 1 . 1 1 74 74 LEU N N 74 117.724 117.724 119.217 -1.493 25786 326 1 1 . 1 1 74 74 LEU HA H 74 3.898 3.898 4.426 -0.528 25786 327 1 1 . 1 1 74 74 LEU C C 74 179.355 179.355 178.899 0.456 25786 328 1 1 . 1 1 74 74 LEU CA C 74 57.469 57.469 56.910 0.560 25786 329 1 1 . 1 1 74 74 LEU CB C 74 41.619 41.619 41.336 0.283 25786 330 1 1 . 1 1 74 74 LEU H H 74 7.413 7.413 7.521 -0.108 25786 331 1 1 . 1 1 75 75 TYR N N 75 114.976 114.976 120.855 -5.879 25786 332 1 1 . 1 1 75 75 TYR HA H 75 4.054 4.054 4.243 -0.189 25786 333 1 1 . 1 1 75 75 TYR C C 75 176.656 176.656 176.485 0.171 25786 334 1 1 . 1 1 75 75 TYR CA C 75 60.638 60.638 60.811 -0.173 25786 335 1 1 . 1 1 75 75 TYR CB C 75 39.688 39.688 38.338 1.350 25786 336 1 1 . 1 1 75 75 TYR H H 75 8.086 8.086 7.992 0.094 25786 337 1 1 . 1 1 76 76 ALA N N 76 119.116 119.116 119.469 -0.353 25786 338 1 1 . 1 1 76 76 ALA HA H 76 4.052 4.052 4.320 -0.268 25786 339 1 1 . 1 1 76 76 ALA C C 76 178.156 178.156 177.390 0.766 25786 340 1 1 . 1 1 76 76 ALA CA C 76 54.468 54.468 53.483 0.985 25786 341 1 1 . 1 1 76 76 ALA CB C 76 18.535 18.535 19.846 -1.311 25786 342 1 1 . 1 1 76 76 ALA H H 76 7.776 7.776 8.140 -0.364 25786 343 1 1 . 1 1 77 77 ALA N N 77 116.862 116.862 120.956 -4.094 25786 344 1 1 . 1 1 77 77 ALA C C 77 173.737 173.737 174.569 -0.832 25786 345 1 1 . 1 1 77 77 ALA CA C 77 49.713 49.713 49.066 0.647 25786 346 1 1 . 1 1 77 77 ALA CB C 77 19.226 19.226 19.305 -0.079 25786 347 1 1 . 1 1 77 77 ALA H H 77 6.706 6.706 7.785 -1.079 25786 348 1 1 . 1 1 78 78 PRO HA H 78 5.018 5.018 4.985 0.033 25786 349 1 1 . 1 1 78 78 PRO CA C 78 61.523 61.523 62.356 -0.833 25786 350 1 1 . 1 1 78 78 PRO CB C 78 28.845 28.845 30.465 -1.620 25786 351 1 1 . 1 1 79 79 THR N N 79 111.947 111.947 113.077 -1.130 25786 352 1 1 . 1 1 79 79 THR HA H 79 4.396 4.396 4.579 -0.183 25786 353 1 1 . 1 1 79 79 THR C C 79 173.000 173.000 174.330 -1.330 25786 354 1 1 . 1 1 79 79 THR CA C 79 58.059 58.059 60.079 -2.020 25786 355 1 1 . 1 1 79 79 THR CB C 79 72.247 72.247 72.178 0.069 25786 356 1 1 . 1 1 79 79 THR H H 79 7.664 7.664 7.163 0.501 25786 357 1 1 . 1 1 80 80 LEU N N 80 123.227 123.227 124.724 -1.497 25786 358 1 1 . 1 1 80 80 LEU HA H 80 3.747 3.747 3.857 -0.110 25786 359 1 1 . 1 1 80 80 LEU C C 80 179.028 179.028 177.937 1.091 25786 360 1 1 . 1 1 80 80 LEU CA C 80 58.209 58.209 57.689 0.520 25786 361 1 1 . 1 1 80 80 LEU CB C 80 41.579 41.579 41.375 0.204 25786 362 1 1 . 1 1 80 80 LEU H H 80 9.609 9.609 8.461 1.148 25786 363 1 1 . 1 1 81 81 ALA N N 81 119.663 119.663 122.158 -2.495 25786 364 1 1 . 1 1 81 81 ALA HA H 81 4.141 4.141 4.249 -0.108 25786 365 1 1 . 1 1 81 81 ALA C C 81 181.038 181.038 179.255 1.783 25786 366 1 1 . 1 1 81 81 ALA CA C 81 54.876 54.876 54.968 -0.092 25786 367 1 1 . 1 1 81 81 ALA CB C 81 18.428 18.428 18.146 0.282 25786 368 1 1 . 1 1 81 81 ALA H H 81 8.831 8.831 8.362 0.469 25786 369 1 1 . 1 1 82 82 ALA N N 82 122.181 122.181 121.139 1.042 25786 370 1 1 . 1 1 82 82 ALA HA H 82 4.225 4.225 4.256 -0.031 25786 371 1 1 . 1 1 82 82 ALA C C 82 181.868 181.868 179.704 2.164 25786 372 1 1 . 1 1 82 82 ALA CA C 82 54.808 54.808 54.413 0.395 25786 373 1 1 . 1 1 82 82 ALA CB C 82 19.088 19.088 18.749 0.339 25786 374 1 1 . 1 1 82 82 ALA H H 82 8.272 8.272 7.588 0.684 25786 375 1 1 . 1 1 83 83 TRP N N 83 123.399 123.399 119.464 3.935 25786 376 1 1 . 1 1 83 83 TRP HA H 83 4.543 4.543 4.387 0.156 25786 377 1 1 . 1 1 83 83 TRP C C 83 178.633 178.633 178.590 0.043 25786 378 1 1 . 1 1 83 83 TRP CA C 83 59.562 59.562 58.061 1.501 25786 379 1 1 . 1 1 83 83 TRP CB C 83 28.301 28.301 28.393 -0.092 25786 380 1 1 . 1 1 83 83 TRP H H 83 9.378 9.378 8.186 1.192 25786 381 1 1 . 1 1 84 84 ASN N N 84 118.250 118.250 118.300 -0.050 25786 382 1 1 . 1 1 84 84 ASN HA H 84 4.616 4.616 4.274 0.342 25786 383 1 1 . 1 1 84 84 ASN C C 84 177.231 177.231 177.437 -0.206 25786 384 1 1 . 1 1 84 84 ASN CA C 84 57.096 57.096 56.727 0.369 25786 385 1 1 . 1 1 84 84 ASN CB C 84 39.229 39.229 37.828 1.401 25786 386 1 1 . 1 1 84 84 ASN H H 84 9.136 9.136 8.780 0.356 25786 387 1 1 . 1 1 85 85 GLN N N 85 116.261 116.261 119.960 -3.699 25786 388 1 1 . 1 1 85 85 GLN HA H 85 4.011 4.011 4.072 -0.061 25786 389 1 1 . 1 1 85 85 GLN C C 85 179.455 179.455 178.940 0.515 25786 390 1 1 . 1 1 85 85 GLN CA C 85 58.748 58.748 59.130 -0.382 25786 391 1 1 . 1 1 85 85 GLN CB C 85 27.840 27.840 28.713 -0.873 25786 392 1 1 . 1 1 85 85 GLN H H 85 7.511 7.511 7.508 0.003 25786 393 1 1 . 1 1 86 86 LEU N N 86 121.554 121.554 119.073 2.481 25786 394 1 1 . 1 1 86 86 LEU HA H 86 4.041 4.041 4.027 0.014 25786 395 1 1 . 1 1 86 86 LEU C C 86 179.171 179.171 179.095 0.076 25786 396 1 1 . 1 1 86 86 LEU CA C 86 57.804 57.804 57.605 0.199 25786 397 1 1 . 1 1 86 86 LEU CB C 86 41.915 41.915 41.770 0.145 25786 398 1 1 . 1 1 86 86 LEU H H 86 8.172 8.172 8.275 -0.103 25786 399 1 1 . 1 1 87 87 MET N N 87 117.874 117.874 116.417 1.457 25786 400 1 1 . 1 1 87 87 MET HA H 87 3.752 3.752 4.644 -0.892 25786 401 1 1 . 1 1 87 87 MET C C 87 178.221 178.221 178.854 -0.633 25786 402 1 1 . 1 1 87 87 MET CA C 87 59.481 59.481 58.921 0.560 25786 403 1 1 . 1 1 87 87 MET CB C 87 34.875 34.875 33.514 1.361 25786 404 1 1 . 1 1 87 87 MET H H 87 8.197 8.197 7.894 0.303 25786 405 1 1 . 1 1 88 88 LEU N N 88 117.598 117.598 122.288 -4.690 25786 406 1 1 . 1 1 88 88 LEU HA H 88 4.054 4.054 4.494 -0.440 25786 407 1 1 . 1 1 88 88 LEU C C 88 179.237 179.237 178.946 0.291 25786 408 1 1 . 1 1 88 88 LEU CA C 88 57.076 57.076 57.153 -0.077 25786 409 1 1 . 1 1 88 88 LEU CB C 88 42.395 42.395 42.060 0.335 25786 410 1 1 . 1 1 88 88 LEU H H 88 7.902 7.902 8.515 -0.613 25786 411 1 1 . 1 1 89 89 SER N N 89 113.195 113.195 114.020 -0.825 25786 412 1 1 . 1 1 89 89 SER HA H 89 4.038 4.038 4.321 -0.282 25786 413 1 1 . 1 1 89 89 SER C C 89 175.090 175.090 175.085 0.005 25786 414 1 1 . 1 1 89 89 SER CA C 89 59.901 59.901 60.937 -1.036 25786 415 1 1 . 1 1 89 89 SER CB C 89 63.834 63.834 63.237 0.597 25786 416 1 1 . 1 1 89 89 SER H H 89 7.958 7.958 8.514 -0.556 25786 417 1 1 . 1 1 90 90 ARG N N 90 122.031 122.031 117.140 4.891 25786 418 1 1 . 1 1 90 90 ARG HA H 90 4.701 4.701 4.480 0.221 25786 419 1 1 . 1 1 90 90 ARG C C 90 175.695 175.695 176.147 -0.452 25786 420 1 1 . 1 1 90 90 ARG CA C 90 53.905 53.905 55.773 -1.867 25786 421 1 1 . 1 1 90 90 ARG CB C 90 29.631 29.631 30.309 -0.678 25786 422 1 1 . 1 1 90 90 ARG H H 90 7.923 7.923 7.527 0.396 25786 423 1 1 . 1 1 91 91 SER N N 91 117.191 117.191 119.729 -2.538 25786 424 1 1 . 1 1 91 91 SER C C 91 172.914 172.914 172.491 0.423 25786 425 1 1 . 1 1 91 91 SER CA C 91 57.104 57.104 57.120 -0.016 25786 426 1 1 . 1 1 91 91 SER CB C 91 63.437 63.437 63.450 -0.013 25786 427 1 1 . 1 1 91 91 SER H H 91 7.752 7.752 7.985 -0.233 25786 428 1 1 . 1 1 92 92 PRO HA H 92 4.420 4.420 4.576 -0.156 25786 429 1 1 . 1 1 92 92 PRO CA C 92 63.414 63.414 62.789 0.625 25786 430 1 1 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.378 -0.483 25786 431 1 2 . 1 1 15 15 ASN N N 15 119.857 119.857 121.107 -1.250 25786 432 1 2 . 1 1 15 15 ASN HA H 15 4.719 4.719 4.598 0.121 25786 433 1 2 . 1 1 15 15 ASN C C 15 175.735 175.735 175.074 0.661 25786 434 1 2 . 1 1 15 15 ASN CA C 15 53.556 53.556 54.698 -1.142 25786 435 1 2 . 1 1 15 15 ASN CB C 15 38.731 38.731 39.123 -0.392 25786 436 1 2 . 1 1 15 15 ASN H H 15 8.425 8.425 8.532 -0.107 25786 437 1 2 . 1 1 16 16 ARG N N 16 122.030 122.030 114.386 7.644 25786 438 1 2 . 1 1 16 16 ARG HA H 16 4.211 4.211 4.318 -0.107 25786 439 1 2 . 1 1 16 16 ARG C C 16 176.669 176.669 176.174 0.495 25786 440 1 2 . 1 1 16 16 ARG CA C 16 57.735 57.735 56.397 1.338 25786 441 1 2 . 1 1 16 16 ARG CB C 16 30.224 30.224 30.682 -0.458 25786 442 1 2 . 1 1 16 16 ARG H H 16 8.347 8.347 7.602 0.745 25786 443 1 2 . 1 1 17 17 HIS N N 17 118.590 118.590 121.050 -2.460 25786 444 1 2 . 1 1 17 17 HIS HA H 17 4.563 4.563 4.350 0.213 25786 445 1 2 . 1 1 17 17 HIS C C 17 176.284 176.284 177.344 -1.060 25786 446 1 2 . 1 1 17 17 HIS CA C 17 58.394 58.394 59.342 -0.948 25786 447 1 2 . 1 1 17 17 HIS CB C 17 30.362 30.362 29.635 0.727 25786 448 1 2 . 1 1 17 17 HIS H H 17 8.395 8.395 9.265 -0.870 25786 449 1 2 . 1 1 18 18 ALA N N 18 122.047 122.047 121.902 0.145 25786 450 1 2 . 1 1 18 18 ALA HA H 18 4.182 4.182 4.151 0.031 25786 451 1 2 . 1 1 18 18 ALA C C 18 180.003 180.003 178.764 1.239 25786 452 1 2 . 1 1 18 18 ALA CA C 18 54.294 54.294 54.505 -0.211 25786 453 1 2 . 1 1 18 18 ALA CB C 18 18.849 18.849 17.719 1.130 25786 454 1 2 . 1 1 18 18 ALA H H 18 8.436 8.436 8.659 -0.223 25786 455 1 2 . 1 1 19 19 ALA N N 19 122.607 122.607 120.934 1.673 25786 456 1 2 . 1 1 19 19 ALA HA H 19 4.275 4.275 4.136 0.139 25786 457 1 2 . 1 1 19 19 ALA C C 19 180.295 180.295 179.185 1.110 25786 458 1 2 . 1 1 19 19 ALA CA C 19 55.040 55.040 54.530 0.510 25786 459 1 2 . 1 1 19 19 ALA CB C 19 18.267 18.267 18.545 -0.278 25786 460 1 2 . 1 1 19 19 ALA H H 19 8.402 8.402 8.511 -0.109 25786 461 1 2 . 1 1 20 20 ASP N N 20 118.796 118.796 119.105 -0.309 25786 462 1 2 . 1 1 20 20 ASP HA H 20 4.837 4.837 4.580 0.257 25786 463 1 2 . 1 1 20 20 ASP C C 20 177.313 177.313 177.370 -0.057 25786 464 1 2 . 1 1 20 20 ASP CA C 20 56.725 56.725 56.162 0.563 25786 465 1 2 . 1 1 20 20 ASP CB C 20 40.189 40.189 40.855 -0.666 25786 466 1 2 . 1 1 20 20 ASP H H 20 8.317 8.317 8.555 -0.238 25786 467 1 2 . 1 1 21 21 TYR N N 21 120.958 120.958 120.687 0.271 25786 468 1 2 . 1 1 21 21 TYR HA H 21 4.058 4.058 4.314 -0.256 25786 469 1 2 . 1 1 21 21 TYR C C 21 176.282 176.282 177.230 -0.948 25786 470 1 2 . 1 1 21 21 TYR CA C 21 61.892 61.892 61.188 0.703 25786 471 1 2 . 1 1 21 21 TYR CB C 21 38.655 38.655 38.542 0.113 25786 472 1 2 . 1 1 21 21 TYR H H 21 8.679 8.679 7.602 1.077 25786 473 1 2 . 1 1 22 22 GLN N N 22 117.715 117.715 118.472 -0.757 25786 474 1 2 . 1 1 22 22 GLN HA H 22 3.826 3.826 3.976 -0.150 25786 475 1 2 . 1 1 22 22 GLN C C 22 178.197 178.197 178.153 0.044 25786 476 1 2 . 1 1 22 22 GLN CA C 22 59.110 59.110 59.217 -0.107 25786 477 1 2 . 1 1 22 22 GLN CB C 22 27.430 27.430 27.817 -0.387 25786 478 1 2 . 1 1 22 22 GLN H H 22 8.236 8.236 7.902 0.334 25786 479 1 2 . 1 1 23 23 GLN N N 23 118.526 118.526 118.797 -0.271 25786 480 1 2 . 1 1 23 23 GLN HA H 23 4.100 4.100 3.983 0.117 25786 481 1 2 . 1 1 23 23 GLN C C 23 177.521 177.521 178.688 -1.167 25786 482 1 2 . 1 1 23 23 GLN CA C 23 58.915 58.915 58.847 0.068 25786 483 1 2 . 1 1 23 23 GLN CB C 23 29.032 29.032 28.141 0.891 25786 484 1 2 . 1 1 23 23 GLN H H 23 8.003 8.003 8.111 -0.108 25786 485 1 2 . 1 1 24 24 LEU N N 24 121.914 121.914 120.778 1.136 25786 486 1 2 . 1 1 24 24 LEU HA H 24 3.444 3.444 3.263 0.181 25786 487 1 2 . 1 1 24 24 LEU C C 24 176.882 176.882 178.004 -1.122 25786 488 1 2 . 1 1 24 24 LEU CA C 24 58.115 58.115 57.472 0.643 25786 489 1 2 . 1 1 24 24 LEU CB C 24 41.704 41.704 41.358 0.346 25786 490 1 2 . 1 1 24 24 LEU H H 24 8.031 8.031 7.459 0.572 25786 491 1 2 . 1 1 25 25 ARG N N 25 116.645 116.645 118.734 -2.089 25786 492 1 2 . 1 1 25 25 ARG HA H 25 3.395 3.395 3.579 -0.184 25786 493 1 2 . 1 1 25 25 ARG C C 25 177.469 177.469 178.126 -0.657 25786 494 1 2 . 1 1 25 25 ARG CA C 25 60.246 60.246 59.662 0.584 25786 495 1 2 . 1 1 25 25 ARG CB C 25 29.925 29.925 29.793 0.132 25786 496 1 2 . 1 1 25 25 ARG H H 25 7.981 7.981 8.184 -0.203 25786 497 1 2 . 1 1 26 26 GLU N N 26 115.943 115.943 118.893 -2.950 25786 498 1 2 . 1 1 26 26 GLU HA H 26 3.832 3.832 3.928 -0.096 25786 499 1 2 . 1 1 26 26 GLU C C 26 179.682 179.682 178.461 1.221 25786 500 1 2 . 1 1 26 26 GLU CA C 26 59.517 59.517 59.769 -0.252 25786 501 1 2 . 1 1 26 26 GLU CB C 26 29.439 29.439 29.555 -0.117 25786 502 1 2 . 1 1 26 26 GLU H H 26 8.160 8.160 8.451 -0.291 25786 503 1 2 . 1 1 27 27 ARG N N 27 118.766 118.766 119.620 -0.854 25786 504 1 2 . 1 1 27 27 ARG HA H 27 4.144 4.144 4.103 0.041 25786 505 1 2 . 1 1 27 27 ARG C C 27 179.241 179.241 178.729 0.512 25786 506 1 2 . 1 1 27 27 ARG CA C 27 58.855 58.855 59.087 -0.232 25786 507 1 2 . 1 1 27 27 ARG CB C 27 29.996 29.996 30.157 -0.161 25786 508 1 2 . 1 1 27 27 ARG H H 27 8.283 8.283 7.554 0.729 25786 509 1 2 . 1 1 28 28 LEU N N 28 122.077 122.077 120.505 1.572 25786 510 1 2 . 1 1 28 28 LEU HA H 28 4.106 4.106 3.968 0.138 25786 511 1 2 . 1 1 28 28 LEU C C 28 178.766 178.766 178.890 -0.124 25786 512 1 2 . 1 1 28 28 LEU CA C 28 58.558 58.558 58.090 0.468 25786 513 1 2 . 1 1 28 28 LEU CB C 28 42.514 42.514 41.706 0.808 25786 514 1 2 . 1 1 28 28 LEU H H 28 8.389 8.389 8.007 0.382 25786 515 1 2 . 1 1 29 29 ILE N N 29 117.586 117.586 119.576 -1.990 25786 516 1 2 . 1 1 29 29 ILE HA H 29 3.339 3.339 3.534 -0.195 25786 517 1 2 . 1 1 29 29 ILE C C 29 177.927 177.927 178.162 -0.235 25786 518 1 2 . 1 1 29 29 ILE CA C 29 66.203 66.203 65.782 0.421 25786 519 1 2 . 1 1 29 29 ILE CB C 29 37.823 37.823 37.586 0.237 25786 520 1 2 . 1 1 29 29 ILE H H 29 7.914 7.914 8.492 -0.578 25786 521 1 2 . 1 1 30 30 GLN N N 30 116.395 116.395 117.736 -1.341 25786 522 1 2 . 1 1 30 30 GLN HA H 30 4.157 4.157 4.052 0.105 25786 523 1 2 . 1 1 30 30 GLN C C 30 179.400 179.400 178.862 0.538 25786 524 1 2 . 1 1 30 30 GLN CA C 30 58.410 58.410 58.085 0.325 25786 525 1 2 . 1 1 30 30 GLN CB C 30 28.804 28.804 28.215 0.589 25786 526 1 2 . 1 1 30 30 GLN H H 30 7.287 7.287 7.830 -0.543 25786 527 1 2 . 1 1 31 31 GLU N N 31 120.336 120.336 119.179 1.157 25786 528 1 2 . 1 1 31 31 GLU HA H 31 4.023 4.023 4.160 -0.137 25786 529 1 2 . 1 1 31 31 GLU C C 31 178.395 178.395 178.188 0.207 25786 530 1 2 . 1 1 31 31 GLU CA C 31 59.377 59.377 58.237 1.140 25786 531 1 2 . 1 1 31 31 GLU CB C 31 30.436 30.436 29.880 0.556 25786 532 1 2 . 1 1 31 31 GLU H H 31 8.814 8.814 8.149 0.665 25786 533 1 2 . 1 1 32 32 LEU N N 32 115.139 115.139 116.522 -1.383 25786 534 1 2 . 1 1 32 32 LEU HA H 32 4.377 4.377 4.370 0.007 25786 535 1 2 . 1 1 32 32 LEU C C 32 176.033 176.033 176.625 -0.592 25786 536 1 2 . 1 1 32 32 LEU CA C 32 54.101 54.101 54.575 -0.474 25786 537 1 2 . 1 1 32 32 LEU CB C 32 41.354 41.354 41.946 -0.592 25786 538 1 2 . 1 1 32 32 LEU H H 32 8.109 8.109 8.002 0.107 25786 539 1 2 . 1 1 33 33 ASN N N 33 116.751 116.751 116.128 0.623 25786 540 1 2 . 1 1 33 33 ASN HA H 33 4.453 4.453 4.383 0.070 25786 541 1 2 . 1 1 33 33 ASN C C 33 174.288 174.288 174.406 -0.118 25786 542 1 2 . 1 1 33 33 ASN CA C 33 54.024 54.024 54.044 -0.020 25786 543 1 2 . 1 1 33 33 ASN CB C 33 36.929 36.929 37.664 -0.735 25786 544 1 2 . 1 1 33 33 ASN H H 33 7.796 7.796 7.530 0.266 25786 545 1 2 . 1 1 34 34 LEU N N 34 117.139 117.139 117.186 -0.047 25786 546 1 2 . 1 1 34 34 LEU HA H 34 4.787 4.787 4.860 -0.073 25786 547 1 2 . 1 1 34 34 LEU C C 34 176.521 176.521 175.597 0.924 25786 548 1 2 . 1 1 34 34 LEU CA C 34 53.079 53.079 53.458 -0.379 25786 549 1 2 . 1 1 34 34 LEU CB C 34 44.673 44.673 45.947 -1.274 25786 550 1 2 . 1 1 34 34 LEU H H 34 7.728 7.728 8.529 -0.801 25786 551 1 2 . 1 1 35 35 THR N N 35 110.751 110.751 106.191 4.560 25786 552 1 2 . 1 1 35 35 THR HA H 35 4.803 4.803 4.906 -0.103 25786 553 1 2 . 1 1 35 35 THR C C 35 174.438 174.438 173.280 1.158 25786 554 1 2 . 1 1 35 35 THR CA C 35 59.445 59.445 58.126 1.319 25786 555 1 2 . 1 1 35 35 THR CB C 35 68.651 68.651 69.959 -1.308 25786 556 1 2 . 1 1 35 35 THR H H 35 8.001 8.001 7.920 0.081 25786 557 1 2 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.328 -0.251 25786 558 1 2 . 1 1 36 36 PRO CA C 36 65.645 65.645 65.277 0.368 25786 559 1 2 . 1 1 36 36 PRO CB C 36 31.632 31.632 31.861 -0.230 25786 560 1 2 . 1 1 37 37 GLN N N 37 112.874 112.874 115.240 -2.366 25786 561 1 2 . 1 1 37 37 GLN HA H 37 4.105 4.105 4.253 -0.148 25786 562 1 2 . 1 1 37 37 GLN C C 37 176.960 176.960 177.697 -0.737 25786 563 1 2 . 1 1 37 37 GLN CA C 37 57.891 57.891 57.312 0.579 25786 564 1 2 . 1 1 37 37 GLN CB C 37 27.902 27.902 28.903 -1.001 25786 565 1 2 . 1 1 37 37 GLN H H 37 8.005 8.005 7.605 0.400 25786 566 1 2 . 1 1 38 38 GLN N N 38 116.477 116.477 118.323 -1.846 25786 567 1 2 . 1 1 38 38 GLN HA H 38 4.187 4.187 4.250 -0.063 25786 568 1 2 . 1 1 38 38 GLN C C 38 175.508 175.508 177.175 -1.667 25786 569 1 2 . 1 1 38 38 GLN CA C 38 56.398 56.398 57.168 -0.770 25786 570 1 2 . 1 1 38 38 GLN CB C 38 31.126 31.126 29.617 1.509 25786 571 1 2 . 1 1 38 38 GLN H H 38 7.663 7.663 7.977 -0.314 25786 572 1 2 . 1 1 39 39 LEU N N 39 120.726 120.726 121.780 -1.054 25786 573 1 2 . 1 1 39 39 LEU HA H 39 4.371 4.371 4.647 -0.276 25786 574 1 2 . 1 1 39 39 LEU C C 39 174.277 174.277 174.783 -0.506 25786 575 1 2 . 1 1 39 39 LEU CA C 39 53.959 53.959 53.393 0.566 25786 576 1 2 . 1 1 39 39 LEU CB C 39 41.610 41.610 41.694 -0.084 25786 577 1 2 . 1 1 39 39 LEU H H 39 7.286 7.286 8.177 -0.891 25786 578 1 2 . 1 1 40 40 HIS N N 40 124.680 124.680 121.243 3.437 25786 579 1 2 . 1 1 40 40 HIS HA H 40 4.808 4.808 4.724 0.084 25786 580 1 2 . 1 1 40 40 HIS C C 40 176.727 176.727 176.044 0.683 25786 581 1 2 . 1 1 40 40 HIS CA C 40 54.762 54.762 54.498 0.264 25786 582 1 2 . 1 1 40 40 HIS CB C 40 31.521 31.521 31.384 0.137 25786 583 1 2 . 1 1 40 40 HIS H H 40 8.158 8.158 8.110 0.048 25786 584 1 2 . 1 1 41 41 GLU HA H 41 4.029 4.029 4.089 -0.060 25786 585 1 2 . 1 1 42 42 GLU N N 42 113.813 113.813 119.318 -5.505 25786 586 1 2 . 1 1 42 42 GLU HA H 42 4.547 4.547 4.198 0.349 25786 587 1 2 . 1 1 42 42 GLU C C 42 176.680 176.680 176.233 0.447 25786 588 1 2 . 1 1 42 42 GLU CA C 42 55.313 55.313 56.527 -1.214 25786 589 1 2 . 1 1 42 42 GLU CB C 42 29.165 29.165 29.036 0.129 25786 590 1 2 . 1 1 42 42 GLU H H 42 8.808 8.808 8.147 0.661 25786 591 1 2 . 1 1 43 43 SER N N 43 118.066 118.066 117.063 1.003 25786 592 1 2 . 1 1 43 43 SER HA H 43 4.088 4.088 4.058 0.030 25786 593 1 2 . 1 1 43 43 SER C C 43 173.663 173.663 173.825 -0.162 25786 594 1 2 . 1 1 43 43 SER CA C 43 60.156 60.156 58.733 1.423 25786 595 1 2 . 1 1 43 43 SER CB C 43 62.827 62.827 63.149 -0.322 25786 596 1 2 . 1 1 43 43 SER H H 43 7.485 7.485 7.056 0.429 25786 597 1 2 . 1 1 44 44 ASN N N 44 123.218 123.218 123.535 -0.317 25786 598 1 2 . 1 1 44 44 ASN HA H 44 4.392 4.392 4.891 -0.499 25786 599 1 2 . 1 1 44 44 ASN C C 44 176.926 176.926 176.726 0.200 25786 600 1 2 . 1 1 44 44 ASN CA C 44 53.987 53.987 52.874 1.113 25786 601 1 2 . 1 1 44 44 ASN CB C 44 38.433 38.433 38.725 -0.292 25786 602 1 2 . 1 1 44 44 ASN H H 44 8.811 8.811 8.594 0.217 25786 603 1 2 . 1 1 45 45 LEU N N 45 128.735 128.735 126.406 2.329 25786 604 1 2 . 1 1 45 45 LEU HA H 45 3.722 3.722 3.847 -0.125 25786 605 1 2 . 1 1 45 45 LEU C C 45 178.143 178.143 178.407 -0.264 25786 606 1 2 . 1 1 45 45 LEU CA C 45 57.149 57.149 57.491 -0.342 25786 607 1 2 . 1 1 45 45 LEU CB C 45 42.250 42.250 41.651 0.599 25786 608 1 2 . 1 1 45 45 LEU H H 45 9.385 9.385 8.064 1.321 25786 609 1 2 . 1 1 46 46 ILE N N 46 119.379 119.379 117.951 1.428 25786 610 1 2 . 1 1 46 46 ILE HA H 46 4.187 4.187 4.148 0.039 25786 611 1 2 . 1 1 46 46 ILE C C 46 180.926 180.926 179.042 1.884 25786 612 1 2 . 1 1 46 46 ILE CA C 46 63.814 63.814 64.431 -0.617 25786 613 1 2 . 1 1 46 46 ILE CB C 46 36.709 36.709 37.748 -1.039 25786 614 1 2 . 1 1 46 46 ILE H H 46 7.659 7.659 8.046 -0.387 25786 615 1 2 . 1 1 47 47 GLN N N 47 121.737 121.737 118.945 2.792 25786 616 1 2 . 1 1 47 47 GLN HA H 47 3.989 3.989 4.261 -0.272 25786 617 1 2 . 1 1 47 47 GLN C C 47 177.739 177.739 176.319 1.420 25786 618 1 2 . 1 1 47 47 GLN CA C 47 58.033 58.033 57.561 0.472 25786 619 1 2 . 1 1 47 47 GLN CB C 47 27.985 27.985 28.878 -0.892 25786 620 1 2 . 1 1 47 47 GLN H H 47 8.161 8.161 7.882 0.279 25786 621 1 2 . 1 1 48 48 ALA N N 48 117.777 117.777 121.157 -3.380 25786 622 1 2 . 1 1 48 48 ALA HA H 48 4.260 4.260 4.441 -0.181 25786 623 1 2 . 1 1 48 48 ALA C C 48 176.582 176.582 177.617 -1.035 25786 624 1 2 . 1 1 48 48 ALA CA C 48 52.710 52.710 52.601 0.109 25786 625 1 2 . 1 1 48 48 ALA CB C 48 18.601 18.601 20.576 -1.975 25786 626 1 2 . 1 1 48 48 ALA H H 48 7.448 7.448 7.150 0.298 25786 627 1 2 . 1 1 49 49 GLY N N 49 102.932 102.932 106.861 -3.929 25786 628 1 2 . 1 1 49 49 GLY C C 49 174.451 174.451 172.188 2.263 25786 629 1 2 . 1 1 49 49 GLY CA C 49 44.967 44.967 45.735 -0.768 25786 630 1 2 . 1 1 49 49 GLY H H 49 7.445 7.445 8.348 -0.903 25786 631 1 2 . 1 1 50 50 LEU N N 50 123.058 123.058 122.060 0.998 25786 632 1 2 . 1 1 50 50 LEU HA H 50 4.257 4.257 4.841 -0.584 25786 633 1 2 . 1 1 50 50 LEU C C 50 173.460 173.460 174.791 -1.331 25786 634 1 2 . 1 1 50 50 LEU CA C 50 55.909 55.909 54.309 1.600 25786 635 1 2 . 1 1 50 50 LEU CB C 50 41.454 41.454 44.770 -3.316 25786 636 1 2 . 1 1 50 50 LEU H H 50 8.545 8.545 7.358 1.187 25786 637 1 2 . 1 1 54 54 ARG N N 54 121.407 121.407 121.966 -0.559 25786 638 1 2 . 1 1 54 54 ARG HA H 54 4.088 4.088 3.930 0.158 25786 639 1 2 . 1 1 54 54 ARG C C 54 179.647 179.647 178.086 1.561 25786 640 1 2 . 1 1 54 54 ARG CA C 54 59.615 59.615 59.317 0.298 25786 641 1 2 . 1 1 54 54 ARG CB C 54 30.633 30.633 30.661 -0.028 25786 642 1 2 . 1 1 54 54 ARG H H 54 8.412 8.412 8.798 -0.386 25786 643 1 2 . 1 1 55 55 LEU N N 55 121.118 121.118 120.975 0.143 25786 644 1 2 . 1 1 55 55 LEU HA H 55 4.332 4.332 4.446 -0.114 25786 645 1 2 . 1 1 55 55 LEU C C 55 178.416 178.416 178.483 -0.067 25786 646 1 2 . 1 1 55 55 LEU CA C 55 59.035 59.035 58.564 0.471 25786 647 1 2 . 1 1 55 55 LEU CB C 55 41.718 41.718 41.354 0.364 25786 648 1 2 . 1 1 55 55 LEU H H 55 9.050 9.050 8.252 0.798 25786 649 1 2 . 1 1 56 56 MET N N 56 117.969 117.969 117.412 0.557 25786 650 1 2 . 1 1 56 56 MET HA H 56 4.284 4.284 4.130 0.154 25786 651 1 2 . 1 1 56 56 MET C C 56 178.301 178.301 178.250 0.051 25786 652 1 2 . 1 1 56 56 MET CA C 56 57.927 57.927 58.811 -0.884 25786 653 1 2 . 1 1 56 56 MET CB C 56 31.317 31.317 32.161 -0.844 25786 654 1 2 . 1 1 56 56 MET H H 56 7.875 7.875 8.258 -0.383 25786 655 1 2 . 1 1 57 57 ARG N N 57 119.532 119.532 120.332 -0.800 25786 656 1 2 . 1 1 57 57 ARG HA H 57 4.096 4.096 4.118 -0.022 25786 657 1 2 . 1 1 57 57 ARG C C 57 180.458 180.458 178.633 1.825 25786 658 1 2 . 1 1 57 57 ARG CA C 57 59.770 59.770 58.987 0.783 25786 659 1 2 . 1 1 57 57 ARG CB C 57 29.520 29.520 29.459 0.061 25786 660 1 2 . 1 1 57 57 ARG H H 57 7.609 7.609 8.253 -0.644 25786 661 1 2 . 1 1 58 58 TRP N N 58 121.820 121.820 120.220 1.600 25786 662 1 2 . 1 1 58 58 TRP HA H 58 4.465 4.465 4.389 0.076 25786 663 1 2 . 1 1 58 58 TRP C C 58 177.973 177.973 178.585 -0.612 25786 664 1 2 . 1 1 58 58 TRP CA C 58 61.063 61.063 59.755 1.308 25786 665 1 2 . 1 1 58 58 TRP CB C 58 28.348 28.348 29.622 -1.274 25786 666 1 2 . 1 1 58 58 TRP H H 58 8.207 8.207 8.363 -0.156 25786 667 1 2 . 1 1 59 59 LEU N N 59 121.654 121.654 121.253 0.401 25786 668 1 2 . 1 1 59 59 LEU HA H 59 4.274 4.274 4.135 0.139 25786 669 1 2 . 1 1 59 59 LEU C C 59 178.823 178.823 177.862 0.961 25786 670 1 2 . 1 1 59 59 LEU CA C 59 59.044 59.044 58.291 0.753 25786 671 1 2 . 1 1 59 59 LEU CB C 59 40.851 40.851 41.302 -0.451 25786 672 1 2 . 1 1 59 59 LEU H H 59 8.599 8.599 8.129 0.470 25786 673 1 2 . 1 1 60 60 HIS N N 60 116.952 116.952 118.268 -1.316 25786 674 1 2 . 1 1 60 60 HIS HA H 60 4.389 4.389 4.207 0.182 25786 675 1 2 . 1 1 60 60 HIS C C 60 177.635 177.635 177.235 0.400 25786 676 1 2 . 1 1 60 60 HIS CA C 60 59.755 59.755 60.568 -0.813 25786 677 1 2 . 1 1 60 60 HIS CB C 60 30.083 30.083 30.119 -0.036 25786 678 1 2 . 1 1 60 60 HIS H H 60 7.909 7.909 8.290 -0.381 25786 679 1 2 . 1 1 61 61 TRP N N 61 123.194 123.194 121.892 1.302 25786 680 1 2 . 1 1 61 61 TRP HA H 61 4.032 4.032 4.239 -0.207 25786 681 1 2 . 1 1 61 61 TRP C C 61 179.298 179.298 178.214 1.084 25786 682 1 2 . 1 1 61 61 TRP CA C 61 62.541 62.541 61.484 1.057 25786 683 1 2 . 1 1 61 61 TRP CB C 61 28.839 28.839 29.032 -0.193 25786 684 1 2 . 1 1 61 61 TRP H H 61 8.142 8.142 7.810 0.332 25786 685 1 2 . 1 1 62 62 PHE N N 62 120.038 120.038 117.575 2.463 25786 686 1 2 . 1 1 62 62 PHE HA H 62 4.205 4.205 3.650 0.555 25786 687 1 2 . 1 1 62 62 PHE C C 62 179.080 179.080 178.549 0.531 25786 688 1 2 . 1 1 62 62 PHE CA C 62 63.629 63.629 62.099 1.530 25786 689 1 2 . 1 1 62 62 PHE CB C 62 38.664 38.664 38.230 0.434 25786 690 1 2 . 1 1 62 62 PHE H H 62 9.447 9.447 8.461 0.986 25786 691 1 2 . 1 1 63 63 ARG N N 63 118.560 118.560 120.205 -1.645 25786 692 1 2 . 1 1 63 63 ARG HA H 63 4.258 4.258 4.323 -0.065 25786 693 1 2 . 1 1 63 63 ARG C C 63 181.328 181.328 179.243 2.085 25786 694 1 2 . 1 1 63 63 ARG CA C 63 59.257 59.257 58.499 0.758 25786 695 1 2 . 1 1 63 63 ARG CB C 63 29.697 29.697 30.070 -0.373 25786 696 1 2 . 1 1 63 63 ARG H H 63 8.665 8.665 8.859 -0.194 25786 697 1 2 . 1 1 64 64 LYS N N 64 122.759 122.759 118.235 4.524 25786 698 1 2 . 1 1 64 64 LYS HA H 64 4.019 4.019 4.135 -0.116 25786 699 1 2 . 1 1 64 64 LYS C C 64 177.595 177.595 176.830 0.765 25786 700 1 2 . 1 1 64 64 LYS CA C 64 58.651 58.651 57.772 0.879 25786 701 1 2 . 1 1 64 64 LYS CB C 64 31.510 31.510 32.222 -0.712 25786 702 1 2 . 1 1 64 64 LYS H H 64 8.690 8.690 7.914 0.776 25786 703 1 2 . 1 1 65 65 ASN N N 65 115.681 115.681 116.338 -0.657 25786 704 1 2 . 1 1 65 65 ASN HA H 65 4.532 4.532 4.772 -0.240 25786 705 1 2 . 1 1 65 65 ASN C C 65 173.405 173.405 174.820 -1.415 25786 706 1 2 . 1 1 65 65 ASN CA C 65 53.685 53.685 51.756 1.929 25786 707 1 2 . 1 1 65 65 ASN CB C 65 39.038 39.038 38.862 0.176 25786 708 1 2 . 1 1 65 65 ASN H H 65 7.246 7.246 7.596 -0.350 25786 709 1 2 . 1 1 66 66 GLY N N 66 105.186 105.186 105.385 -0.199 25786 710 1 2 . 1 1 66 66 GLY C C 66 173.869 173.869 174.212 -0.343 25786 711 1 2 . 1 1 66 66 GLY CA C 66 45.539 45.539 44.937 0.602 25786 712 1 2 . 1 1 66 66 GLY H H 66 7.603 7.603 7.602 0.001 25786 713 1 2 . 1 1 67 67 TYR N N 67 119.699 119.699 122.282 -2.583 25786 714 1 2 . 1 1 67 67 TYR HA H 67 4.542 4.542 4.339 0.203 25786 715 1 2 . 1 1 67 67 TYR C C 67 175.838 175.838 175.729 0.109 25786 716 1 2 . 1 1 67 67 TYR CA C 67 57.858 57.858 58.087 -0.230 25786 717 1 2 . 1 1 67 67 TYR CB C 67 38.564 38.564 37.419 1.145 25786 718 1 2 . 1 1 67 67 TYR H H 67 8.248 8.248 8.172 0.076 25786 719 1 2 . 1 1 68 68 ARG N N 68 125.588 125.588 126.710 -1.122 25786 720 1 2 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.394 -0.005 25786 721 1 2 . 1 1 68 68 ARG C C 68 174.479 174.479 174.589 -0.110 25786 722 1 2 . 1 1 68 68 ARG CA C 68 55.649 55.649 56.258 -0.609 25786 723 1 2 . 1 1 68 68 ARG CB C 68 28.357 28.357 28.416 -0.059 25786 724 1 2 . 1 1 68 68 ARG H H 68 8.550 8.550 8.615 -0.065 25786 725 1 2 . 1 1 69 69 LEU N N 69 122.034 122.034 119.818 2.216 25786 726 1 2 . 1 1 69 69 LEU HA H 69 4.711 4.711 4.957 -0.246 25786 727 1 2 . 1 1 69 69 LEU C C 69 175.630 175.630 175.756 -0.126 25786 728 1 2 . 1 1 69 69 LEU CA C 69 53.367 53.367 53.561 -0.194 25786 729 1 2 . 1 1 69 69 LEU CB C 69 44.286 44.286 44.806 -0.520 25786 730 1 2 . 1 1 69 69 LEU H H 69 7.421 7.421 8.022 -0.601 25786 731 1 2 . 1 1 70 70 THR N N 70 109.789 109.789 114.651 -4.862 25786 732 1 2 . 1 1 70 70 THR HA H 70 4.721 4.721 4.670 0.051 25786 733 1 2 . 1 1 70 70 THR C C 70 174.636 174.636 175.004 -0.368 25786 734 1 2 . 1 1 70 70 THR CA C 70 59.377 59.377 61.037 -1.660 25786 735 1 2 . 1 1 70 70 THR CB C 70 72.180 72.180 71.058 1.122 25786 736 1 2 . 1 1 70 70 THR H H 70 8.163 8.163 9.335 -1.172 25786 737 1 2 . 1 1 71 71 LEU N N 71 122.563 122.563 123.386 -0.823 25786 738 1 2 . 1 1 71 71 LEU HA H 71 3.885 3.885 4.190 -0.305 25786 739 1 2 . 1 1 71 71 LEU C C 71 178.632 178.632 177.549 1.083 25786 740 1 2 . 1 1 71 71 LEU CA C 71 58.196 58.196 57.266 0.930 25786 741 1 2 . 1 1 71 71 LEU CB C 71 41.940 41.940 41.928 0.012 25786 742 1 2 . 1 1 71 71 LEU H H 71 8.825 8.825 8.560 0.265 25786 743 1 2 . 1 1 72 72 ARG N N 72 115.949 115.949 118.629 -2.680 25786 744 1 2 . 1 1 72 72 ARG HA H 72 3.876 3.876 4.345 -0.469 25786 745 1 2 . 1 1 72 72 ARG C C 72 178.893 178.893 178.384 0.509 25786 746 1 2 . 1 1 72 72 ARG CA C 72 59.147 59.147 59.617 -0.471 25786 747 1 2 . 1 1 72 72 ARG CB C 72 29.631 29.631 29.716 -0.085 25786 748 1 2 . 1 1 72 72 ARG H H 72 8.244 8.244 8.524 -0.280 25786 749 1 2 . 1 1 73 73 GLU N N 73 117.665 117.665 119.940 -2.275 25786 750 1 2 . 1 1 73 73 GLU HA H 73 3.951 3.951 4.169 -0.218 25786 751 1 2 . 1 1 73 73 GLU C C 73 178.762 178.762 178.556 0.206 25786 752 1 2 . 1 1 73 73 GLU CA C 73 59.092 59.092 59.537 -0.445 25786 753 1 2 . 1 1 73 73 GLU CB C 73 29.739 29.739 28.689 1.050 25786 754 1 2 . 1 1 73 73 GLU H H 73 7.461 7.461 8.571 -1.110 25786 755 1 2 . 1 1 74 74 LEU N N 74 117.724 117.724 120.169 -2.445 25786 756 1 2 . 1 1 74 74 LEU HA H 74 3.898 3.898 4.225 -0.327 25786 757 1 2 . 1 1 74 74 LEU C C 74 179.355 179.355 179.859 -0.504 25786 758 1 2 . 1 1 74 74 LEU CA C 74 57.469 57.469 57.527 -0.058 25786 759 1 2 . 1 1 74 74 LEU CB C 74 41.619 41.619 41.674 -0.055 25786 760 1 2 . 1 1 74 74 LEU H H 74 7.413 7.413 7.284 0.129 25786 761 1 2 . 1 1 75 75 TYR N N 75 114.976 114.976 117.567 -2.591 25786 762 1 2 . 1 1 75 75 TYR HA H 75 4.054 4.054 4.340 -0.286 25786 763 1 2 . 1 1 75 75 TYR C C 75 176.656 176.656 177.705 -1.049 25786 764 1 2 . 1 1 75 75 TYR CA C 75 60.638 60.638 60.473 0.165 25786 765 1 2 . 1 1 75 75 TYR CB C 75 39.688 39.688 37.920 1.768 25786 766 1 2 . 1 1 75 75 TYR H H 75 8.086 8.086 8.264 -0.178 25786 767 1 2 . 1 1 76 76 ALA N N 76 119.116 119.116 120.472 -1.356 25786 768 1 2 . 1 1 76 76 ALA HA H 76 4.052 4.052 4.248 -0.196 25786 769 1 2 . 1 1 76 76 ALA C C 76 178.156 178.156 177.553 0.603 25786 770 1 2 . 1 1 76 76 ALA CA C 76 54.468 54.468 53.608 0.860 25786 771 1 2 . 1 1 76 76 ALA CB C 76 18.535 18.535 19.506 -0.972 25786 772 1 2 . 1 1 76 76 ALA H H 76 7.776 7.776 7.455 0.321 25786 773 1 2 . 1 1 77 77 ALA N N 77 116.862 116.862 119.690 -2.828 25786 774 1 2 . 1 1 77 77 ALA C C 77 173.737 173.737 174.456 -0.719 25786 775 1 2 . 1 1 77 77 ALA CA C 77 49.713 49.713 49.871 -0.158 25786 776 1 2 . 1 1 77 77 ALA CB C 77 19.226 19.226 19.840 -0.614 25786 777 1 2 . 1 1 77 77 ALA H H 77 6.706 6.706 7.764 -1.058 25786 778 1 2 . 1 1 78 78 PRO HA H 78 5.018 5.018 4.870 0.148 25786 779 1 2 . 1 1 78 78 PRO CA C 78 61.523 61.523 62.505 -0.982 25786 780 1 2 . 1 1 78 78 PRO CB C 78 28.845 28.845 30.295 -1.450 25786 781 1 2 . 1 1 79 79 THR N N 79 111.947 111.947 111.998 -0.051 25786 782 1 2 . 1 1 79 79 THR HA H 79 4.396 4.396 4.659 -0.263 25786 783 1 2 . 1 1 79 79 THR C C 79 173.000 173.000 174.620 -1.620 25786 784 1 2 . 1 1 79 79 THR CA C 79 58.059 58.059 59.624 -1.565 25786 785 1 2 . 1 1 79 79 THR CB C 79 72.247 72.247 72.517 -0.270 25786 786 1 2 . 1 1 79 79 THR H H 79 7.664 7.664 7.206 0.458 25786 787 1 2 . 1 1 80 80 LEU N N 80 123.227 123.227 123.809 -0.582 25786 788 1 2 . 1 1 80 80 LEU HA H 80 3.747 3.747 4.026 -0.279 25786 789 1 2 . 1 1 80 80 LEU C C 80 179.028 179.028 178.098 0.930 25786 790 1 2 . 1 1 80 80 LEU CA C 80 58.209 58.209 57.931 0.279 25786 791 1 2 . 1 1 80 80 LEU CB C 80 41.579 41.579 41.589 -0.010 25786 792 1 2 . 1 1 80 80 LEU H H 80 9.609 9.609 8.894 0.715 25786 793 1 2 . 1 1 81 81 ALA N N 81 119.663 119.663 122.141 -2.478 25786 794 1 2 . 1 1 81 81 ALA HA H 81 4.141 4.141 4.337 -0.196 25786 795 1 2 . 1 1 81 81 ALA C C 81 181.038 181.038 179.402 1.636 25786 796 1 2 . 1 1 81 81 ALA CA C 81 54.876 54.876 54.995 -0.119 25786 797 1 2 . 1 1 81 81 ALA CB C 81 18.428 18.428 18.193 0.235 25786 798 1 2 . 1 1 81 81 ALA H H 81 8.831 8.831 8.440 0.391 25786 799 1 2 . 1 1 82 82 ALA N N 82 122.181 122.181 120.977 1.204 25786 800 1 2 . 1 1 82 82 ALA HA H 82 4.225 4.225 4.270 -0.045 25786 801 1 2 . 1 1 82 82 ALA C C 82 181.868 181.868 179.731 2.137 25786 802 1 2 . 1 1 82 82 ALA CA C 82 54.808 54.808 54.659 0.149 25786 803 1 2 . 1 1 82 82 ALA CB C 82 19.088 19.088 18.484 0.604 25786 804 1 2 . 1 1 82 82 ALA H H 82 8.272 8.272 7.693 0.579 25786 805 1 2 . 1 1 83 83 TRP N N 83 123.399 123.399 119.705 3.694 25786 806 1 2 . 1 1 83 83 TRP HA H 83 4.543 4.543 4.296 0.247 25786 807 1 2 . 1 1 83 83 TRP C C 83 178.633 178.633 178.656 -0.023 25786 808 1 2 . 1 1 83 83 TRP CA C 83 59.562 59.562 58.562 1.000 25786 809 1 2 . 1 1 83 83 TRP CB C 83 28.301 28.301 28.413 -0.112 25786 810 1 2 . 1 1 83 83 TRP H H 83 9.378 9.378 8.251 1.127 25786 811 1 2 . 1 1 84 84 ASN N N 84 118.250 118.250 117.632 0.618 25786 812 1 2 . 1 1 84 84 ASN HA H 84 4.616 4.616 4.431 0.185 25786 813 1 2 . 1 1 84 84 ASN C C 84 177.231 177.231 177.620 -0.389 25786 814 1 2 . 1 1 84 84 ASN CA C 84 57.096 57.096 56.623 0.473 25786 815 1 2 . 1 1 84 84 ASN CB C 84 39.229 39.229 37.942 1.287 25786 816 1 2 . 1 1 84 84 ASN H H 84 9.136 9.136 8.751 0.385 25786 817 1 2 . 1 1 85 85 GLN N N 85 116.261 116.261 118.745 -2.484 25786 818 1 2 . 1 1 85 85 GLN HA H 85 4.011 4.011 4.084 -0.073 25786 819 1 2 . 1 1 85 85 GLN C C 85 179.455 179.455 178.885 0.570 25786 820 1 2 . 1 1 85 85 GLN CA C 85 58.748 58.748 58.474 0.274 25786 821 1 2 . 1 1 85 85 GLN CB C 85 27.840 27.840 28.511 -0.671 25786 822 1 2 . 1 1 85 85 GLN H H 85 7.511 7.511 7.621 -0.110 25786 823 1 2 . 1 1 86 86 LEU N N 86 121.554 121.554 119.835 1.719 25786 824 1 2 . 1 1 86 86 LEU HA H 86 4.041 4.041 3.963 0.078 25786 825 1 2 . 1 1 86 86 LEU C C 86 179.171 179.171 179.224 -0.053 25786 826 1 2 . 1 1 86 86 LEU CA C 86 57.804 57.804 57.630 0.174 25786 827 1 2 . 1 1 86 86 LEU CB C 86 41.915 41.915 41.324 0.591 25786 828 1 2 . 1 1 86 86 LEU H H 86 8.172 8.172 8.498 -0.326 25786 829 1 2 . 1 1 87 87 MET N N 87 117.874 117.874 118.747 -0.873 25786 830 1 2 . 1 1 87 87 MET HA H 87 3.752 3.752 4.258 -0.506 25786 831 1 2 . 1 1 87 87 MET C C 87 178.221 178.221 179.170 -0.949 25786 832 1 2 . 1 1 87 87 MET CA C 87 59.481 59.481 59.289 0.192 25786 833 1 2 . 1 1 87 87 MET CB C 87 34.875 34.875 32.687 2.188 25786 834 1 2 . 1 1 87 87 MET H H 87 8.197 8.197 8.047 0.150 25786 835 1 2 . 1 1 88 88 LEU N N 88 117.598 117.598 122.052 -4.454 25786 836 1 2 . 1 1 88 88 LEU HA H 88 4.054 4.054 4.168 -0.114 25786 837 1 2 . 1 1 88 88 LEU C C 88 179.237 179.237 178.999 0.238 25786 838 1 2 . 1 1 88 88 LEU CA C 88 57.076 57.076 57.982 -0.906 25786 839 1 2 . 1 1 88 88 LEU CB C 88 42.395 42.395 41.516 0.879 25786 840 1 2 . 1 1 88 88 LEU H H 88 7.902 7.902 8.387 -0.485 25786 841 1 2 . 1 1 89 89 SER N N 89 113.195 113.195 115.440 -2.245 25786 842 1 2 . 1 1 89 89 SER HA H 89 4.038 4.038 4.337 -0.299 25786 843 1 2 . 1 1 89 89 SER C C 89 175.090 175.090 175.104 -0.014 25786 844 1 2 . 1 1 89 89 SER CA C 89 59.901 59.901 60.337 -0.436 25786 845 1 2 . 1 1 89 89 SER CB C 89 63.834 63.834 63.024 0.810 25786 846 1 2 . 1 1 89 89 SER H H 89 7.958 7.958 8.138 -0.180 25786 847 1 2 . 1 1 90 90 ARG N N 90 122.031 122.031 117.321 4.710 25786 848 1 2 . 1 1 90 90 ARG HA H 90 4.701 4.701 4.585 0.116 25786 849 1 2 . 1 1 90 90 ARG C C 90 175.695 175.695 175.077 0.618 25786 850 1 2 . 1 1 90 90 ARG CA C 90 53.905 53.905 54.153 -0.248 25786 851 1 2 . 1 1 90 90 ARG CB C 90 29.631 29.631 30.380 -0.749 25786 852 1 2 . 1 1 90 90 ARG H H 90 7.923 7.923 7.744 0.179 25786 853 1 2 . 1 1 91 91 SER N N 91 117.191 117.191 118.996 -1.805 25786 854 1 2 . 1 1 91 91 SER C C 91 172.914 172.914 173.137 -0.223 25786 855 1 2 . 1 1 91 91 SER CA C 91 57.104 57.104 56.355 0.749 25786 856 1 2 . 1 1 91 91 SER CB C 91 63.437 63.437 63.615 -0.178 25786 857 1 2 . 1 1 91 91 SER H H 91 7.752 7.752 7.710 0.042 25786 858 1 2 . 1 1 92 92 PRO HA H 92 4.420 4.420 4.376 0.044 25786 859 1 2 . 1 1 92 92 PRO CA C 92 63.414 63.414 62.055 1.359 25786 860 1 2 . 1 1 92 92 PRO CB C 92 31.895 31.895 31.942 -0.047 25786 861 1 3 . 1 1 15 15 ASN N N 15 119.857 119.857 118.677 1.180 25786 862 1 3 . 1 1 15 15 ASN HA H 15 4.719 4.719 4.639 0.080 25786 863 1 3 . 1 1 15 15 ASN C C 15 175.735 175.735 175.756 -0.021 25786 864 1 3 . 1 1 15 15 ASN CA C 15 53.556 53.556 53.758 -0.202 25786 865 1 3 . 1 1 15 15 ASN CB C 15 38.731 38.731 38.893 -0.162 25786 866 1 3 . 1 1 15 15 ASN H H 15 8.425 8.425 8.396 0.029 25786 867 1 3 . 1 1 16 16 ARG N N 16 122.030 122.030 119.542 2.488 25786 868 1 3 . 1 1 16 16 ARG HA H 16 4.211 4.211 3.885 0.326 25786 869 1 3 . 1 1 16 16 ARG C C 16 176.669 176.669 177.572 -0.903 25786 870 1 3 . 1 1 16 16 ARG CA C 16 57.735 57.735 57.744 -0.009 25786 871 1 3 . 1 1 16 16 ARG CB C 16 30.224 30.224 28.920 1.304 25786 872 1 3 . 1 1 16 16 ARG H H 16 8.347 8.347 8.671 -0.324 25786 873 1 3 . 1 1 17 17 HIS N N 17 118.590 118.590 119.805 -1.215 25786 874 1 3 . 1 1 17 17 HIS HA H 17 4.563 4.563 4.386 0.177 25786 875 1 3 . 1 1 17 17 HIS C C 17 176.284 176.284 177.212 -0.928 25786 876 1 3 . 1 1 17 17 HIS CA C 17 58.394 58.394 59.404 -1.010 25786 877 1 3 . 1 1 17 17 HIS CB C 17 30.362 30.362 29.433 0.929 25786 878 1 3 . 1 1 17 17 HIS H H 17 8.395 8.395 8.808 -0.413 25786 879 1 3 . 1 1 18 18 ALA N N 18 122.047 122.047 122.786 -0.739 25786 880 1 3 . 1 1 18 18 ALA HA H 18 4.182 4.182 4.286 -0.104 25786 881 1 3 . 1 1 18 18 ALA C C 18 180.003 180.003 179.164 0.839 25786 882 1 3 . 1 1 18 18 ALA CA C 18 54.294 54.294 54.492 -0.198 25786 883 1 3 . 1 1 18 18 ALA CB C 18 18.849 18.849 18.025 0.824 25786 884 1 3 . 1 1 18 18 ALA H H 18 8.436 8.436 7.926 0.510 25786 885 1 3 . 1 1 19 19 ALA N N 19 122.607 122.607 121.523 1.084 25786 886 1 3 . 1 1 19 19 ALA HA H 19 4.275 4.275 4.113 0.162 25786 887 1 3 . 1 1 19 19 ALA C C 19 180.295 180.295 179.353 0.942 25786 888 1 3 . 1 1 19 19 ALA CA C 19 55.040 55.040 54.654 0.386 25786 889 1 3 . 1 1 19 19 ALA CB C 19 18.267 18.267 18.448 -0.181 25786 890 1 3 . 1 1 19 19 ALA H H 19 8.402 8.402 8.416 -0.014 25786 891 1 3 . 1 1 20 20 ASP N N 20 118.796 118.796 119.410 -0.614 25786 892 1 3 . 1 1 20 20 ASP HA H 20 4.837 4.837 4.725 0.112 25786 893 1 3 . 1 1 20 20 ASP C C 20 177.313 177.313 177.684 -0.371 25786 894 1 3 . 1 1 20 20 ASP CA C 20 56.725 56.725 57.218 -0.493 25786 895 1 3 . 1 1 20 20 ASP CB C 20 40.189 40.189 40.793 -0.604 25786 896 1 3 . 1 1 20 20 ASP H H 20 8.317 8.317 8.603 -0.286 25786 897 1 3 . 1 1 21 21 TYR N N 21 120.958 120.958 121.813 -0.855 25786 898 1 3 . 1 1 21 21 TYR HA H 21 4.058 4.058 4.212 -0.154 25786 899 1 3 . 1 1 21 21 TYR C C 21 176.282 176.282 177.494 -1.212 25786 900 1 3 . 1 1 21 21 TYR CA C 21 61.892 61.892 61.838 0.054 25786 901 1 3 . 1 1 21 21 TYR CB C 21 38.655 38.655 38.402 0.253 25786 902 1 3 . 1 1 21 21 TYR H H 21 8.679 8.679 7.858 0.821 25786 903 1 3 . 1 1 22 22 GLN N N 22 117.715 117.715 117.814 -0.099 25786 904 1 3 . 1 1 22 22 GLN HA H 22 3.826 3.826 4.071 -0.245 25786 905 1 3 . 1 1 22 22 GLN C C 22 178.197 178.197 178.213 -0.016 25786 906 1 3 . 1 1 22 22 GLN CA C 22 59.110 59.110 59.347 -0.237 25786 907 1 3 . 1 1 22 22 GLN CB C 22 27.430 27.430 28.066 -0.636 25786 908 1 3 . 1 1 22 22 GLN H H 22 8.236 8.236 7.954 0.282 25786 909 1 3 . 1 1 23 23 GLN N N 23 118.526 118.526 119.067 -0.541 25786 910 1 3 . 1 1 23 23 GLN HA H 23 4.100 4.100 4.071 0.029 25786 911 1 3 . 1 1 23 23 GLN C C 23 177.521 177.521 178.804 -1.283 25786 912 1 3 . 1 1 23 23 GLN CA C 23 58.915 58.915 58.783 0.132 25786 913 1 3 . 1 1 23 23 GLN CB C 23 29.032 29.032 28.434 0.598 25786 914 1 3 . 1 1 23 23 GLN H H 23 8.003 8.003 8.049 -0.046 25786 915 1 3 . 1 1 24 24 LEU N N 24 121.914 121.914 121.584 0.330 25786 916 1 3 . 1 1 24 24 LEU HA H 24 3.444 3.444 3.280 0.164 25786 917 1 3 . 1 1 24 24 LEU C C 24 176.882 176.882 178.224 -1.342 25786 918 1 3 . 1 1 24 24 LEU CA C 24 58.115 58.115 58.038 0.077 25786 919 1 3 . 1 1 24 24 LEU CB C 24 41.704 41.704 41.721 -0.017 25786 920 1 3 . 1 1 24 24 LEU H H 24 8.031 8.031 8.785 -0.754 25786 921 1 3 . 1 1 25 25 ARG N N 25 116.645 116.645 118.398 -1.753 25786 922 1 3 . 1 1 25 25 ARG HA H 25 3.395 3.395 3.664 -0.269 25786 923 1 3 . 1 1 25 25 ARG C C 25 177.469 177.469 178.442 -0.973 25786 924 1 3 . 1 1 25 25 ARG CA C 25 60.246 60.246 59.460 0.786 25786 925 1 3 . 1 1 25 25 ARG CB C 25 29.925 29.925 29.872 0.053 25786 926 1 3 . 1 1 25 25 ARG H H 25 7.981 7.981 8.271 -0.290 25786 927 1 3 . 1 1 26 26 GLU N N 26 115.943 115.943 118.009 -2.066 25786 928 1 3 . 1 1 26 26 GLU HA H 26 3.832 3.832 4.050 -0.218 25786 929 1 3 . 1 1 26 26 GLU C C 26 179.682 179.682 179.093 0.589 25786 930 1 3 . 1 1 26 26 GLU CA C 26 59.517 59.517 58.696 0.821 25786 931 1 3 . 1 1 26 26 GLU CB C 26 29.439 29.439 29.147 0.292 25786 932 1 3 . 1 1 26 26 GLU H H 26 8.160 8.160 7.924 0.236 25786 933 1 3 . 1 1 27 27 ARG N N 27 118.766 118.766 120.500 -1.734 25786 934 1 3 . 1 1 27 27 ARG HA H 27 4.144 4.144 4.169 -0.025 25786 935 1 3 . 1 1 27 27 ARG C C 27 179.241 179.241 178.544 0.697 25786 936 1 3 . 1 1 27 27 ARG CA C 27 58.855 58.855 58.834 0.021 25786 937 1 3 . 1 1 27 27 ARG CB C 27 29.996 29.996 30.204 -0.208 25786 938 1 3 . 1 1 27 27 ARG H H 27 8.283 8.283 8.033 0.250 25786 939 1 3 . 1 1 28 28 LEU N N 28 122.077 122.077 120.884 1.193 25786 940 1 3 . 1 1 28 28 LEU HA H 28 4.106 4.106 3.971 0.135 25786 941 1 3 . 1 1 28 28 LEU C C 28 178.766 178.766 179.045 -0.279 25786 942 1 3 . 1 1 28 28 LEU CA C 28 58.558 58.558 58.107 0.451 25786 943 1 3 . 1 1 28 28 LEU CB C 28 42.514 42.514 41.403 1.111 25786 944 1 3 . 1 1 28 28 LEU H H 28 8.389 8.389 8.029 0.360 25786 945 1 3 . 1 1 29 29 ILE N N 29 117.586 117.586 117.769 -0.183 25786 946 1 3 . 1 1 29 29 ILE HA H 29 3.339 3.339 3.559 -0.220 25786 947 1 3 . 1 1 29 29 ILE C C 29 177.927 177.927 177.809 0.118 25786 948 1 3 . 1 1 29 29 ILE CA C 29 66.203 66.203 65.822 0.381 25786 949 1 3 . 1 1 29 29 ILE CB C 29 37.823 37.823 37.419 0.404 25786 950 1 3 . 1 1 29 29 ILE H H 29 7.914 7.914 7.836 0.078 25786 951 1 3 . 1 1 30 30 GLN N N 30 116.395 116.395 117.282 -0.887 25786 952 1 3 . 1 1 30 30 GLN HA H 30 4.157 4.157 4.178 -0.021 25786 953 1 3 . 1 1 30 30 GLN C C 30 179.400 179.400 178.170 1.230 25786 954 1 3 . 1 1 30 30 GLN CA C 30 58.410 58.410 57.702 0.708 25786 955 1 3 . 1 1 30 30 GLN CB C 30 28.804 28.804 28.481 0.323 25786 956 1 3 . 1 1 30 30 GLN H H 30 7.287 7.287 7.616 -0.329 25786 957 1 3 . 1 1 31 31 GLU N N 31 120.336 120.336 120.657 -0.321 25786 958 1 3 . 1 1 31 31 GLU HA H 31 4.023 4.023 4.176 -0.153 25786 959 1 3 . 1 1 31 31 GLU C C 31 178.395 178.395 178.454 -0.059 25786 960 1 3 . 1 1 31 31 GLU CA C 31 59.377 59.377 58.797 0.580 25786 961 1 3 . 1 1 31 31 GLU CB C 31 30.436 30.436 29.970 0.467 25786 962 1 3 . 1 1 31 31 GLU H H 31 8.814 8.814 8.501 0.313 25786 963 1 3 . 1 1 32 32 LEU N N 32 115.139 115.139 115.957 -0.818 25786 964 1 3 . 1 1 32 32 LEU HA H 32 4.377 4.377 4.361 0.016 25786 965 1 3 . 1 1 32 32 LEU C C 32 176.033 176.033 176.475 -0.442 25786 966 1 3 . 1 1 32 32 LEU CA C 32 54.101 54.101 55.408 -1.307 25786 967 1 3 . 1 1 32 32 LEU CB C 32 41.354 41.354 42.539 -1.185 25786 968 1 3 . 1 1 32 32 LEU H H 32 8.109 8.109 8.234 -0.125 25786 969 1 3 . 1 1 33 33 ASN N N 33 116.751 116.751 117.293 -0.542 25786 970 1 3 . 1 1 33 33 ASN HA H 33 4.453 4.453 4.470 -0.017 25786 971 1 3 . 1 1 33 33 ASN C C 33 174.288 174.288 173.631 0.657 25786 972 1 3 . 1 1 33 33 ASN CA C 33 54.024 54.024 54.078 -0.054 25786 973 1 3 . 1 1 33 33 ASN CB C 33 36.929 36.929 36.914 0.015 25786 974 1 3 . 1 1 33 33 ASN H H 33 7.796 7.796 7.592 0.204 25786 975 1 3 . 1 1 34 34 LEU N N 34 117.139 117.139 120.243 -3.104 25786 976 1 3 . 1 1 34 34 LEU HA H 34 4.787 4.787 4.723 0.064 25786 977 1 3 . 1 1 34 34 LEU C C 34 176.521 176.521 175.539 0.982 25786 978 1 3 . 1 1 34 34 LEU CA C 34 53.079 53.079 53.366 -0.287 25786 979 1 3 . 1 1 34 34 LEU CB C 34 44.673 44.673 46.847 -2.174 25786 980 1 3 . 1 1 34 34 LEU H H 34 7.728 7.728 8.552 -0.824 25786 981 1 3 . 1 1 35 35 THR N N 35 110.751 110.751 110.863 -0.112 25786 982 1 3 . 1 1 35 35 THR HA H 35 4.803 4.803 4.908 -0.105 25786 983 1 3 . 1 1 35 35 THR C C 35 174.438 174.438 173.846 0.592 25786 984 1 3 . 1 1 35 35 THR CA C 35 59.445 59.445 58.760 0.685 25786 985 1 3 . 1 1 35 35 THR CB C 35 68.651 68.651 69.920 -1.269 25786 986 1 3 . 1 1 35 35 THR H H 35 8.001 8.001 8.840 -0.839 25786 987 1 3 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.184 -0.107 25786 988 1 3 . 1 1 36 36 PRO CA C 36 65.645 65.645 65.445 0.200 25786 989 1 3 . 1 1 36 36 PRO CB C 36 31.632 31.632 31.933 -0.301 25786 990 1 3 . 1 1 37 37 GLN N N 37 112.874 112.874 112.426 0.448 25786 991 1 3 . 1 1 37 37 GLN HA H 37 4.105 4.105 4.241 -0.136 25786 992 1 3 . 1 1 37 37 GLN C C 37 176.960 176.960 177.082 -0.122 25786 993 1 3 . 1 1 37 37 GLN CA C 37 57.891 57.891 56.868 1.022 25786 994 1 3 . 1 1 37 37 GLN CB C 37 27.902 27.902 27.679 0.223 25786 995 1 3 . 1 1 37 37 GLN H H 37 8.005 8.005 8.401 -0.396 25786 996 1 3 . 1 1 38 38 GLN N N 38 116.477 116.477 118.983 -2.506 25786 997 1 3 . 1 1 38 38 GLN HA H 38 4.187 4.187 4.293 -0.106 25786 998 1 3 . 1 1 38 38 GLN C C 38 175.508 175.508 176.750 -1.242 25786 999 1 3 . 1 1 38 38 GLN CA C 38 56.398 56.398 56.663 -0.265 25786 1000 1 3 . 1 1 38 38 GLN CB C 38 31.126 31.126 30.184 0.942 25786 1001 1 3 . 1 1 38 38 GLN H H 38 7.663 7.663 7.572 0.091 25786 1002 1 3 . 1 1 39 39 LEU N N 39 120.726 120.726 122.073 -1.347 25786 1003 1 3 . 1 1 39 39 LEU HA H 39 4.371 4.371 4.376 -0.005 25786 1004 1 3 . 1 1 39 39 LEU C C 39 174.277 174.277 175.316 -1.039 25786 1005 1 3 . 1 1 39 39 LEU CA C 39 53.959 53.959 53.681 0.278 25786 1006 1 3 . 1 1 39 39 LEU CB C 39 41.610 41.610 41.303 0.307 25786 1007 1 3 . 1 1 39 39 LEU H H 39 7.286 7.286 7.673 -0.387 25786 1008 1 3 . 1 1 40 40 HIS N N 40 124.680 124.680 124.091 0.589 25786 1009 1 3 . 1 1 40 40 HIS HA H 40 4.808 4.808 4.545 0.263 25786 1010 1 3 . 1 1 40 40 HIS C C 40 176.727 176.727 176.356 0.371 25786 1011 1 3 . 1 1 40 40 HIS CA C 40 54.762 54.762 56.321 -1.559 25786 1012 1 3 . 1 1 40 40 HIS CB C 40 31.521 31.521 31.823 -0.301 25786 1013 1 3 . 1 1 40 40 HIS H H 40 8.158 8.158 7.762 0.396 25786 1014 1 3 . 1 1 41 41 GLU HA H 41 4.029 4.029 3.733 0.296 25786 1015 1 3 . 1 1 42 42 GLU N N 42 113.813 113.813 115.894 -2.081 25786 1016 1 3 . 1 1 42 42 GLU HA H 42 4.547 4.547 4.294 0.253 25786 1017 1 3 . 1 1 42 42 GLU C C 42 176.680 176.680 176.031 0.649 25786 1018 1 3 . 1 1 42 42 GLU CA C 42 55.313 55.313 55.193 0.120 25786 1019 1 3 . 1 1 42 42 GLU CB C 42 29.165 29.165 28.271 0.894 25786 1020 1 3 . 1 1 42 42 GLU H H 42 8.808 8.808 7.750 1.058 25786 1021 1 3 . 1 1 43 43 SER N N 43 118.066 118.066 117.211 0.855 25786 1022 1 3 . 1 1 43 43 SER HA H 43 4.088 4.088 4.374 -0.286 25786 1023 1 3 . 1 1 43 43 SER C C 43 173.663 173.663 173.775 -0.112 25786 1024 1 3 . 1 1 43 43 SER CA C 43 60.156 60.156 58.738 1.418 25786 1025 1 3 . 1 1 43 43 SER CB C 43 62.827 62.827 63.807 -0.980 25786 1026 1 3 . 1 1 43 43 SER H H 43 7.485 7.485 7.749 -0.264 25786 1027 1 3 . 1 1 44 44 ASN N N 44 123.218 123.218 124.091 -0.873 25786 1028 1 3 . 1 1 44 44 ASN HA H 44 4.392 4.392 4.688 -0.296 25786 1029 1 3 . 1 1 44 44 ASN C C 44 176.926 176.926 176.073 0.853 25786 1030 1 3 . 1 1 44 44 ASN CA C 44 53.987 53.987 53.877 0.110 25786 1031 1 3 . 1 1 44 44 ASN CB C 44 38.433 38.433 38.858 -0.424 25786 1032 1 3 . 1 1 44 44 ASN H H 44 8.811 8.811 8.876 -0.065 25786 1033 1 3 . 1 1 45 45 LEU N N 45 128.735 128.735 125.712 3.023 25786 1034 1 3 . 1 1 45 45 LEU HA H 45 3.722 3.722 3.963 -0.241 25786 1035 1 3 . 1 1 45 45 LEU C C 45 178.143 178.143 178.570 -0.427 25786 1036 1 3 . 1 1 45 45 LEU CA C 45 57.149 57.149 57.180 -0.031 25786 1037 1 3 . 1 1 45 45 LEU CB C 45 42.250 42.250 41.846 0.404 25786 1038 1 3 . 1 1 45 45 LEU H H 45 9.385 9.385 8.526 0.859 25786 1039 1 3 . 1 1 46 46 ILE N N 46 119.379 119.379 120.177 -0.798 25786 1040 1 3 . 1 1 46 46 ILE HA H 46 4.187 4.187 4.066 0.121 25786 1041 1 3 . 1 1 46 46 ILE C C 46 180.926 180.926 179.132 1.794 25786 1042 1 3 . 1 1 46 46 ILE CA C 46 63.814 63.814 64.521 -0.707 25786 1043 1 3 . 1 1 46 46 ILE CB C 46 36.709 36.709 37.736 -1.027 25786 1044 1 3 . 1 1 46 46 ILE H H 46 7.659 7.659 7.704 -0.045 25786 1045 1 3 . 1 1 47 47 GLN N N 47 121.737 121.737 118.343 3.394 25786 1046 1 3 . 1 1 47 47 GLN HA H 47 3.989 3.989 4.185 -0.196 25786 1047 1 3 . 1 1 47 47 GLN C C 47 177.739 177.739 176.372 1.367 25786 1048 1 3 . 1 1 47 47 GLN CA C 47 58.033 58.033 57.796 0.237 25786 1049 1 3 . 1 1 47 47 GLN CB C 47 27.985 27.985 27.995 -0.010 25786 1050 1 3 . 1 1 47 47 GLN H H 47 8.161 8.161 8.375 -0.214 25786 1051 1 3 . 1 1 48 48 ALA N N 48 117.777 117.777 119.716 -1.939 25786 1052 1 3 . 1 1 48 48 ALA HA H 48 4.260 4.260 4.514 -0.254 25786 1053 1 3 . 1 1 48 48 ALA C C 48 176.582 176.582 177.205 -0.623 25786 1054 1 3 . 1 1 48 48 ALA CA C 48 52.710 52.710 51.772 0.938 25786 1055 1 3 . 1 1 48 48 ALA CB C 48 18.601 18.601 19.646 -1.045 25786 1056 1 3 . 1 1 48 48 ALA H H 48 7.448 7.448 7.507 -0.059 25786 1057 1 3 . 1 1 49 49 GLY N N 49 102.932 102.932 106.049 -3.117 25786 1058 1 3 . 1 1 49 49 GLY C C 49 174.451 174.451 173.575 0.876 25786 1059 1 3 . 1 1 49 49 GLY CA C 49 44.967 44.967 44.808 0.159 25786 1060 1 3 . 1 1 49 49 GLY H H 49 7.445 7.445 7.741 -0.296 25786 1061 1 3 . 1 1 50 50 LEU N N 50 123.058 123.058 124.355 -1.297 25786 1062 1 3 . 1 1 50 50 LEU HA H 50 4.257 4.257 4.637 -0.380 25786 1063 1 3 . 1 1 50 50 LEU C C 50 173.460 173.460 175.966 -2.506 25786 1064 1 3 . 1 1 50 50 LEU CA C 50 55.909 55.909 54.099 1.810 25786 1065 1 3 . 1 1 50 50 LEU CB C 50 41.454 41.454 42.790 -1.336 25786 1066 1 3 . 1 1 50 50 LEU H H 50 8.545 8.545 8.000 0.545 25786 1067 1 3 . 1 1 54 54 ARG N N 54 121.407 121.407 122.459 -1.052 25786 1068 1 3 . 1 1 54 54 ARG HA H 54 4.088 4.088 3.844 0.244 25786 1069 1 3 . 1 1 54 54 ARG C C 54 179.647 179.647 177.951 1.696 25786 1070 1 3 . 1 1 54 54 ARG CA C 54 59.615 59.615 59.317 0.298 25786 1071 1 3 . 1 1 54 54 ARG CB C 54 30.633 30.633 30.911 -0.278 25786 1072 1 3 . 1 1 54 54 ARG H H 54 8.412 8.412 8.847 -0.435 25786 1073 1 3 . 1 1 55 55 LEU N N 55 121.118 121.118 121.281 -0.163 25786 1074 1 3 . 1 1 55 55 LEU HA H 55 4.332 4.332 4.463 -0.131 25786 1075 1 3 . 1 1 55 55 LEU C C 55 178.416 178.416 178.694 -0.278 25786 1076 1 3 . 1 1 55 55 LEU CA C 55 59.035 59.035 58.657 0.378 25786 1077 1 3 . 1 1 55 55 LEU CB C 55 41.718 41.718 41.380 0.338 25786 1078 1 3 . 1 1 55 55 LEU H H 55 9.050 9.050 8.852 0.198 25786 1079 1 3 . 1 1 56 56 MET N N 56 117.969 117.969 117.205 0.764 25786 1080 1 3 . 1 1 56 56 MET HA H 56 4.284 4.284 4.081 0.203 25786 1081 1 3 . 1 1 56 56 MET C C 56 178.301 178.301 178.483 -0.182 25786 1082 1 3 . 1 1 56 56 MET CA C 56 57.927 57.927 58.049 -0.122 25786 1083 1 3 . 1 1 56 56 MET CB C 56 31.317 31.317 31.513 -0.196 25786 1084 1 3 . 1 1 56 56 MET H H 56 7.875 7.875 8.263 -0.388 25786 1085 1 3 . 1 1 57 57 ARG N N 57 119.532 119.532 120.061 -0.529 25786 1086 1 3 . 1 1 57 57 ARG HA H 57 4.096 4.096 4.221 -0.125 25786 1087 1 3 . 1 1 57 57 ARG C C 57 180.458 180.458 178.950 1.508 25786 1088 1 3 . 1 1 57 57 ARG CA C 57 59.770 59.770 59.809 -0.039 25786 1089 1 3 . 1 1 57 57 ARG CB C 57 29.520 29.520 29.806 -0.286 25786 1090 1 3 . 1 1 57 57 ARG H H 57 7.609 7.609 8.108 -0.499 25786 1091 1 3 . 1 1 58 58 TRP N N 58 121.820 121.820 120.983 0.837 25786 1092 1 3 . 1 1 58 58 TRP HA H 58 4.465 4.465 4.314 0.151 25786 1093 1 3 . 1 1 58 58 TRP C C 58 177.973 177.973 178.531 -0.558 25786 1094 1 3 . 1 1 58 58 TRP CA C 58 61.063 61.063 59.747 1.316 25786 1095 1 3 . 1 1 58 58 TRP CB C 58 28.348 28.348 29.386 -1.038 25786 1096 1 3 . 1 1 58 58 TRP H H 58 8.207 8.207 8.144 0.063 25786 1097 1 3 . 1 1 59 59 LEU N N 59 121.654 121.654 120.580 1.074 25786 1098 1 3 . 1 1 59 59 LEU HA H 59 4.274 4.274 4.117 0.157 25786 1099 1 3 . 1 1 59 59 LEU C C 59 178.823 178.823 178.831 -0.008 25786 1100 1 3 . 1 1 59 59 LEU CA C 59 59.044 59.044 57.926 1.118 25786 1101 1 3 . 1 1 59 59 LEU CB C 59 40.851 40.851 41.005 -0.154 25786 1102 1 3 . 1 1 59 59 LEU H H 59 8.599 8.599 8.232 0.367 25786 1103 1 3 . 1 1 60 60 HIS N N 60 116.952 116.952 118.575 -1.623 25786 1104 1 3 . 1 1 60 60 HIS HA H 60 4.389 4.389 4.165 0.224 25786 1105 1 3 . 1 1 60 60 HIS C C 60 177.635 177.635 177.436 0.199 25786 1106 1 3 . 1 1 60 60 HIS CA C 60 59.755 59.755 59.915 -0.160 25786 1107 1 3 . 1 1 60 60 HIS CB C 60 30.083 30.083 29.789 0.294 25786 1108 1 3 . 1 1 60 60 HIS H H 60 7.909 7.909 8.534 -0.625 25786 1109 1 3 . 1 1 61 61 TRP N N 61 123.194 123.194 122.073 1.121 25786 1110 1 3 . 1 1 61 61 TRP HA H 61 4.032 4.032 4.229 -0.197 25786 1111 1 3 . 1 1 61 61 TRP C C 61 179.298 179.298 178.610 0.688 25786 1112 1 3 . 1 1 61 61 TRP CA C 61 62.541 62.541 61.255 1.286 25786 1113 1 3 . 1 1 61 61 TRP CB C 61 28.839 28.839 28.996 -0.157 25786 1114 1 3 . 1 1 61 61 TRP H H 61 8.142 8.142 8.207 -0.065 25786 1115 1 3 . 1 1 62 62 PHE N N 62 120.038 120.038 118.475 1.563 25786 1116 1 3 . 1 1 62 62 PHE HA H 62 4.205 4.205 3.802 0.403 25786 1117 1 3 . 1 1 62 62 PHE C C 62 179.080 179.080 178.178 0.902 25786 1118 1 3 . 1 1 62 62 PHE CA C 62 63.629 63.629 61.769 1.861 25786 1119 1 3 . 1 1 62 62 PHE CB C 62 38.664 38.664 37.822 0.842 25786 1120 1 3 . 1 1 62 62 PHE H H 62 9.447 9.447 8.531 0.916 25786 1121 1 3 . 1 1 63 63 ARG N N 63 118.560 118.560 120.666 -2.106 25786 1122 1 3 . 1 1 63 63 ARG HA H 63 4.258 4.258 4.138 0.120 25786 1123 1 3 . 1 1 63 63 ARG C C 63 181.328 181.328 179.169 2.159 25786 1124 1 3 . 1 1 63 63 ARG CA C 63 59.257 59.257 58.439 0.818 25786 1125 1 3 . 1 1 63 63 ARG CB C 63 29.697 29.697 29.988 -0.291 25786 1126 1 3 . 1 1 63 63 ARG H H 63 8.665 8.665 8.875 -0.210 25786 1127 1 3 . 1 1 64 64 LYS N N 64 122.759 122.759 118.722 4.037 25786 1128 1 3 . 1 1 64 64 LYS HA H 64 4.019 4.019 4.184 -0.165 25786 1129 1 3 . 1 1 64 64 LYS C C 64 177.595 177.595 177.129 0.466 25786 1130 1 3 . 1 1 64 64 LYS CA C 64 58.651 58.651 58.279 0.372 25786 1131 1 3 . 1 1 64 64 LYS CB C 64 31.510 31.510 32.391 -0.881 25786 1132 1 3 . 1 1 64 64 LYS H H 64 8.690 8.690 7.990 0.700 25786 1133 1 3 . 1 1 65 65 ASN N N 65 115.681 115.681 115.137 0.544 25786 1134 1 3 . 1 1 65 65 ASN HA H 65 4.532 4.532 4.720 -0.188 25786 1135 1 3 . 1 1 65 65 ASN C C 65 173.405 173.405 174.825 -1.420 25786 1136 1 3 . 1 1 65 65 ASN CA C 65 53.685 53.685 51.971 1.714 25786 1137 1 3 . 1 1 65 65 ASN CB C 65 39.038 39.038 38.562 0.476 25786 1138 1 3 . 1 1 65 65 ASN H H 65 7.246 7.246 7.671 -0.425 25786 1139 1 3 . 1 1 66 66 GLY N N 66 105.186 105.186 106.582 -1.396 25786 1140 1 3 . 1 1 66 66 GLY C C 66 173.869 173.869 174.118 -0.249 25786 1141 1 3 . 1 1 66 66 GLY CA C 66 45.539 45.539 45.225 0.314 25786 1142 1 3 . 1 1 66 66 GLY H H 66 7.603 7.603 7.684 -0.081 25786 1143 1 3 . 1 1 67 67 TYR N N 67 119.699 119.699 120.157 -0.458 25786 1144 1 3 . 1 1 67 67 TYR HA H 67 4.542 4.542 4.101 0.441 25786 1145 1 3 . 1 1 67 67 TYR C C 67 175.838 175.838 175.950 -0.112 25786 1146 1 3 . 1 1 67 67 TYR CA C 67 57.858 57.858 60.212 -2.354 25786 1147 1 3 . 1 1 67 67 TYR CB C 67 38.564 38.564 38.651 -0.087 25786 1148 1 3 . 1 1 67 67 TYR H H 67 8.248 8.248 7.815 0.433 25786 1149 1 3 . 1 1 68 68 ARG N N 68 125.588 125.588 124.092 1.496 25786 1150 1 3 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.427 -0.038 25786 1151 1 3 . 1 1 68 68 ARG C C 68 174.479 174.479 174.946 -0.467 25786 1152 1 3 . 1 1 68 68 ARG CA C 68 55.649 55.649 55.428 0.221 25786 1153 1 3 . 1 1 68 68 ARG CB C 68 28.357 28.357 28.789 -0.432 25786 1154 1 3 . 1 1 68 68 ARG H H 68 8.550 8.550 8.757 -0.207 25786 1155 1 3 . 1 1 69 69 LEU N N 69 122.034 122.034 121.482 0.552 25786 1156 1 3 . 1 1 69 69 LEU HA H 69 4.711 4.711 4.461 0.250 25786 1157 1 3 . 1 1 69 69 LEU C C 69 175.630 175.630 176.241 -0.611 25786 1158 1 3 . 1 1 69 69 LEU CA C 69 53.367 53.367 53.676 -0.309 25786 1159 1 3 . 1 1 69 69 LEU CB C 69 44.286 44.286 44.482 -0.196 25786 1160 1 3 . 1 1 69 69 LEU H H 69 7.421 7.421 7.556 -0.135 25786 1161 1 3 . 1 1 70 70 THR N N 70 109.789 109.789 114.178 -4.389 25786 1162 1 3 . 1 1 70 70 THR HA H 70 4.721 4.721 4.640 0.081 25786 1163 1 3 . 1 1 70 70 THR C C 70 174.636 174.636 174.619 0.017 25786 1164 1 3 . 1 1 70 70 THR CA C 70 59.377 59.377 60.983 -1.606 25786 1165 1 3 . 1 1 70 70 THR CB C 70 72.180 72.180 70.338 1.843 25786 1166 1 3 . 1 1 70 70 THR H H 70 8.163 8.163 8.073 0.090 25786 1167 1 3 . 1 1 71 71 LEU N N 71 122.563 122.563 124.547 -1.984 25786 1168 1 3 . 1 1 71 71 LEU HA H 71 3.885 3.885 4.108 -0.223 25786 1169 1 3 . 1 1 71 71 LEU C C 71 178.632 178.632 177.524 1.108 25786 1170 1 3 . 1 1 71 71 LEU CA C 71 58.196 58.196 57.358 0.839 25786 1171 1 3 . 1 1 71 71 LEU CB C 71 41.940 41.940 42.358 -0.418 25786 1172 1 3 . 1 1 71 71 LEU H H 71 8.825 8.825 8.491 0.334 25786 1173 1 3 . 1 1 72 72 ARG N N 72 115.949 115.949 118.772 -2.823 25786 1174 1 3 . 1 1 72 72 ARG HA H 72 3.876 3.876 4.182 -0.306 25786 1175 1 3 . 1 1 72 72 ARG C C 72 178.893 178.893 178.423 0.470 25786 1176 1 3 . 1 1 72 72 ARG CA C 72 59.147 59.147 59.161 -0.014 25786 1177 1 3 . 1 1 72 72 ARG CB C 72 29.631 29.631 29.352 0.279 25786 1178 1 3 . 1 1 72 72 ARG H H 72 8.244 8.244 8.623 -0.379 25786 1179 1 3 . 1 1 73 73 GLU N N 73 117.665 117.665 118.785 -1.120 25786 1180 1 3 . 1 1 73 73 GLU HA H 73 3.951 3.951 4.061 -0.110 25786 1181 1 3 . 1 1 73 73 GLU C C 73 178.762 178.762 179.048 -0.286 25786 1182 1 3 . 1 1 73 73 GLU CA C 73 59.092 59.092 59.007 0.085 25786 1183 1 3 . 1 1 73 73 GLU CB C 73 29.739 29.739 28.776 0.963 25786 1184 1 3 . 1 1 73 73 GLU H H 73 7.461 7.461 7.647 -0.186 25786 1185 1 3 . 1 1 74 74 LEU N N 74 117.724 117.724 118.962 -1.238 25786 1186 1 3 . 1 1 74 74 LEU HA H 74 3.898 3.898 4.232 -0.334 25786 1187 1 3 . 1 1 74 74 LEU C C 74 179.355 179.355 179.788 -0.433 25786 1188 1 3 . 1 1 74 74 LEU CA C 74 57.469 57.469 57.311 0.158 25786 1189 1 3 . 1 1 74 74 LEU CB C 74 41.619 41.619 41.335 0.284 25786 1190 1 3 . 1 1 74 74 LEU H H 74 7.413 7.413 7.514 -0.101 25786 1191 1 3 . 1 1 75 75 TYR N N 75 114.976 114.976 117.649 -2.673 25786 1192 1 3 . 1 1 75 75 TYR HA H 75 4.054 4.054 4.426 -0.372 25786 1193 1 3 . 1 1 75 75 TYR C C 75 176.656 176.656 176.726 -0.070 25786 1194 1 3 . 1 1 75 75 TYR CA C 75 60.638 60.638 60.138 0.500 25786 1195 1 3 . 1 1 75 75 TYR CB C 75 39.688 39.688 37.692 1.996 25786 1196 1 3 . 1 1 75 75 TYR H H 75 8.086 8.086 7.681 0.405 25786 1197 1 3 . 1 1 76 76 ALA N N 76 119.116 119.116 121.010 -1.894 25786 1198 1 3 . 1 1 76 76 ALA HA H 76 4.052 4.052 4.368 -0.316 25786 1199 1 3 . 1 1 76 76 ALA C C 76 178.156 178.156 177.071 1.085 25786 1200 1 3 . 1 1 76 76 ALA CA C 76 54.468 54.468 53.115 1.353 25786 1201 1 3 . 1 1 76 76 ALA CB C 76 18.535 18.535 19.848 -1.313 25786 1202 1 3 . 1 1 76 76 ALA H H 76 7.776 7.776 7.568 0.208 25786 1203 1 3 . 1 1 77 77 ALA N N 77 116.862 116.862 120.871 -4.009 25786 1204 1 3 . 1 1 77 77 ALA C C 77 173.737 173.737 174.464 -0.727 25786 1205 1 3 . 1 1 77 77 ALA CA C 77 49.713 49.713 49.880 -0.167 25786 1206 1 3 . 1 1 77 77 ALA CB C 77 19.226 19.226 19.921 -0.695 25786 1207 1 3 . 1 1 77 77 ALA H H 77 6.706 6.706 7.846 -1.140 25786 1208 1 3 . 1 1 78 78 PRO HA H 78 5.018 5.018 4.873 0.145 25786 1209 1 3 . 1 1 78 78 PRO CA C 78 61.523 61.523 62.217 -0.694 25786 1210 1 3 . 1 1 78 78 PRO CB C 78 28.845 28.845 30.481 -1.636 25786 1211 1 3 . 1 1 79 79 THR N N 79 111.947 111.947 113.351 -1.404 25786 1212 1 3 . 1 1 79 79 THR HA H 79 4.396 4.396 4.342 0.054 25786 1213 1 3 . 1 1 79 79 THR C C 79 173.000 173.000 174.034 -1.034 25786 1214 1 3 . 1 1 79 79 THR CA C 79 58.059 58.059 59.686 -1.627 25786 1215 1 3 . 1 1 79 79 THR CB C 79 72.247 72.247 72.366 -0.119 25786 1216 1 3 . 1 1 79 79 THR H H 79 7.664 7.664 7.310 0.354 25786 1217 1 3 . 1 1 80 80 LEU N N 80 123.227 123.227 123.796 -0.569 25786 1218 1 3 . 1 1 80 80 LEU HA H 80 3.747 3.747 4.023 -0.276 25786 1219 1 3 . 1 1 80 80 LEU C C 80 179.028 179.028 177.763 1.265 25786 1220 1 3 . 1 1 80 80 LEU CA C 80 58.209 58.209 56.579 1.630 25786 1221 1 3 . 1 1 80 80 LEU CB C 80 41.579 41.579 41.312 0.267 25786 1222 1 3 . 1 1 80 80 LEU H H 80 9.609 9.609 8.843 0.766 25786 1223 1 3 . 1 1 81 81 ALA N N 81 119.663 119.663 121.280 -1.617 25786 1224 1 3 . 1 1 81 81 ALA HA H 81 4.141 4.141 4.310 -0.169 25786 1225 1 3 . 1 1 81 81 ALA C C 81 181.038 181.038 179.057 1.981 25786 1226 1 3 . 1 1 81 81 ALA CA C 81 54.876 54.876 55.102 -0.226 25786 1227 1 3 . 1 1 81 81 ALA CB C 81 18.428 18.428 18.235 0.193 25786 1228 1 3 . 1 1 81 81 ALA H H 81 8.831 8.831 9.289 -0.458 25786 1229 1 3 . 1 1 82 82 ALA N N 82 122.181 122.181 122.545 -0.364 25786 1230 1 3 . 1 1 82 82 ALA HA H 82 4.225 4.225 4.188 0.037 25786 1231 1 3 . 1 1 82 82 ALA C C 82 181.868 181.868 179.603 2.265 25786 1232 1 3 . 1 1 82 82 ALA CA C 82 54.808 54.808 54.968 -0.160 25786 1233 1 3 . 1 1 82 82 ALA CB C 82 19.088 19.088 18.288 0.799 25786 1234 1 3 . 1 1 82 82 ALA H H 82 8.272 8.272 7.887 0.385 25786 1235 1 3 . 1 1 83 83 TRP N N 83 123.399 123.399 119.283 4.116 25786 1236 1 3 . 1 1 83 83 TRP HA H 83 4.543 4.543 4.273 0.270 25786 1237 1 3 . 1 1 83 83 TRP C C 83 178.633 178.633 178.863 -0.230 25786 1238 1 3 . 1 1 83 83 TRP CA C 83 59.562 59.562 59.888 -0.326 25786 1239 1 3 . 1 1 83 83 TRP CB C 83 28.301 28.301 28.414 -0.113 25786 1240 1 3 . 1 1 83 83 TRP H H 83 9.378 9.378 8.477 0.901 25786 1241 1 3 . 1 1 84 84 ASN N N 84 118.250 118.250 117.566 0.684 25786 1242 1 3 . 1 1 84 84 ASN HA H 84 4.616 4.616 4.446 0.170 25786 1243 1 3 . 1 1 84 84 ASN C C 84 177.231 177.231 177.693 -0.462 25786 1244 1 3 . 1 1 84 84 ASN CA C 84 57.096 57.096 56.722 0.374 25786 1245 1 3 . 1 1 84 84 ASN CB C 84 39.229 39.229 38.562 0.667 25786 1246 1 3 . 1 1 84 84 ASN H H 84 9.136 9.136 8.508 0.628 25786 1247 1 3 . 1 1 85 85 GLN N N 85 116.261 116.261 119.924 -3.663 25786 1248 1 3 . 1 1 85 85 GLN HA H 85 4.011 4.011 4.031 -0.020 25786 1249 1 3 . 1 1 85 85 GLN C C 85 179.455 179.455 178.408 1.047 25786 1250 1 3 . 1 1 85 85 GLN CA C 85 58.748 58.748 59.262 -0.514 25786 1251 1 3 . 1 1 85 85 GLN CB C 85 27.840 27.840 28.802 -0.962 25786 1252 1 3 . 1 1 85 85 GLN H H 85 7.511 7.511 8.174 -0.663 25786 1253 1 3 . 1 1 86 86 LEU N N 86 121.554 121.554 119.039 2.515 25786 1254 1 3 . 1 1 86 86 LEU HA H 86 4.041 4.041 4.118 -0.077 25786 1255 1 3 . 1 1 86 86 LEU C C 86 179.171 179.171 179.482 -0.311 25786 1256 1 3 . 1 1 86 86 LEU CA C 86 57.804 57.804 57.520 0.284 25786 1257 1 3 . 1 1 86 86 LEU CB C 86 41.915 41.915 41.777 0.138 25786 1258 1 3 . 1 1 86 86 LEU H H 86 8.172 8.172 8.337 -0.165 25786 1259 1 3 . 1 1 87 87 MET N N 87 117.874 117.874 118.639 -0.765 25786 1260 1 3 . 1 1 87 87 MET HA H 87 3.752 3.752 4.227 -0.475 25786 1261 1 3 . 1 1 87 87 MET C C 87 178.221 178.221 178.810 -0.589 25786 1262 1 3 . 1 1 87 87 MET CA C 87 59.481 59.481 59.282 0.199 25786 1263 1 3 . 1 1 87 87 MET CB C 87 34.875 34.875 32.853 2.022 25786 1264 1 3 . 1 1 87 87 MET H H 87 8.197 8.197 7.859 0.339 25786 1265 1 3 . 1 1 88 88 LEU N N 88 117.598 117.598 122.031 -4.433 25786 1266 1 3 . 1 1 88 88 LEU HA H 88 4.054 4.054 4.216 -0.162 25786 1267 1 3 . 1 1 88 88 LEU C C 88 179.237 179.237 178.268 0.969 25786 1268 1 3 . 1 1 88 88 LEU CA C 88 57.076 57.076 58.165 -1.089 25786 1269 1 3 . 1 1 88 88 LEU CB C 88 42.395 42.395 41.845 0.550 25786 1270 1 3 . 1 1 88 88 LEU H H 88 7.902 7.902 8.777 -0.875 25786 1271 1 3 . 1 1 89 89 SER N N 89 113.195 113.195 113.864 -0.669 25786 1272 1 3 . 1 1 89 89 SER HA H 89 4.038 4.038 4.223 -0.185 25786 1273 1 3 . 1 1 89 89 SER C C 89 175.090 175.090 176.427 -1.337 25786 1274 1 3 . 1 1 89 89 SER CA C 89 59.901 59.901 61.756 -1.855 25786 1275 1 3 . 1 1 89 89 SER CB C 89 63.834 63.834 63.174 0.660 25786 1276 1 3 . 1 1 89 89 SER H H 89 7.958 7.958 8.001 -0.043 25786 1277 1 3 . 1 1 90 90 ARG N N 90 122.031 122.031 119.786 2.245 25786 1278 1 3 . 1 1 90 90 ARG HA H 90 4.701 4.701 4.487 0.214 25786 1279 1 3 . 1 1 90 90 ARG C C 90 175.695 175.695 175.600 0.095 25786 1280 1 3 . 1 1 90 90 ARG CA C 90 53.905 53.905 55.083 -1.178 25786 1281 1 3 . 1 1 90 90 ARG CB C 90 29.631 29.631 30.289 -0.658 25786 1282 1 3 . 1 1 90 90 ARG H H 90 7.923 7.923 7.268 0.655 25786 1283 1 3 . 1 1 91 91 SER N N 91 117.191 117.191 117.156 0.035 25786 1284 1 3 . 1 1 91 91 SER C C 91 172.914 172.914 172.391 0.523 25786 1285 1 3 . 1 1 91 91 SER CA C 91 57.104 57.104 56.890 0.214 25786 1286 1 3 . 1 1 91 91 SER CB C 91 63.437 63.437 62.870 0.567 25786 1287 1 3 . 1 1 91 91 SER H H 91 7.752 7.752 7.741 0.011 25786 1288 1 3 . 1 1 92 92 PRO HA H 92 4.420 4.420 4.235 0.185 25786 1289 1 3 . 1 1 92 92 PRO CA C 92 63.414 63.414 63.356 0.058 25786 1290 1 3 . 1 1 92 92 PRO CB C 92 31.895 31.895 31.745 0.150 25786 1291 1 4 . 1 1 15 15 ASN N N 15 119.857 119.857 115.475 4.382 25786 1292 1 4 . 1 1 15 15 ASN HA H 15 4.719 4.719 4.357 0.362 25786 1293 1 4 . 1 1 15 15 ASN C C 15 175.735 175.735 175.331 0.404 25786 1294 1 4 . 1 1 15 15 ASN CA C 15 53.556 53.556 54.302 -0.746 25786 1295 1 4 . 1 1 15 15 ASN CB C 15 38.731 38.731 37.331 1.400 25786 1296 1 4 . 1 1 15 15 ASN H H 15 8.425 8.425 8.709 -0.284 25786 1297 1 4 . 1 1 16 16 ARG N N 16 122.030 122.030 118.806 3.224 25786 1298 1 4 . 1 1 16 16 ARG HA H 16 4.211 4.211 4.285 -0.074 25786 1299 1 4 . 1 1 16 16 ARG C C 16 176.669 176.669 177.737 -1.068 25786 1300 1 4 . 1 1 16 16 ARG CA C 16 57.735 57.735 56.727 1.008 25786 1301 1 4 . 1 1 16 16 ARG CB C 16 30.224 30.224 30.265 -0.041 25786 1302 1 4 . 1 1 16 16 ARG H H 16 8.347 8.347 7.834 0.513 25786 1303 1 4 . 1 1 17 17 HIS N N 17 118.590 118.590 119.327 -0.737 25786 1304 1 4 . 1 1 17 17 HIS HA H 17 4.563 4.563 4.358 0.205 25786 1305 1 4 . 1 1 17 17 HIS C C 17 176.284 176.284 177.429 -1.145 25786 1306 1 4 . 1 1 17 17 HIS CA C 17 58.394 58.394 59.791 -1.397 25786 1307 1 4 . 1 1 17 17 HIS CB C 17 30.362 30.362 29.682 0.680 25786 1308 1 4 . 1 1 17 17 HIS H H 17 8.395 8.395 8.457 -0.062 25786 1309 1 4 . 1 1 18 18 ALA N N 18 122.047 122.047 122.398 -0.351 25786 1310 1 4 . 1 1 18 18 ALA HA H 18 4.182 4.182 4.168 0.014 25786 1311 1 4 . 1 1 18 18 ALA C C 18 180.003 180.003 179.407 0.596 25786 1312 1 4 . 1 1 18 18 ALA CA C 18 54.294 54.294 54.602 -0.308 25786 1313 1 4 . 1 1 18 18 ALA CB C 18 18.849 18.849 17.908 0.941 25786 1314 1 4 . 1 1 18 18 ALA H H 18 8.436 8.436 8.602 -0.166 25786 1315 1 4 . 1 1 19 19 ALA N N 19 122.607 122.607 120.921 1.686 25786 1316 1 4 . 1 1 19 19 ALA HA H 19 4.275 4.275 4.176 0.099 25786 1317 1 4 . 1 1 19 19 ALA C C 19 180.295 180.295 179.097 1.198 25786 1318 1 4 . 1 1 19 19 ALA CA C 19 55.040 55.040 54.806 0.234 25786 1319 1 4 . 1 1 19 19 ALA CB C 19 18.267 18.267 18.592 -0.325 25786 1320 1 4 . 1 1 19 19 ALA H H 19 8.402 8.402 8.450 -0.048 25786 1321 1 4 . 1 1 20 20 ASP N N 20 118.796 118.796 118.351 0.445 25786 1322 1 4 . 1 1 20 20 ASP HA H 20 4.837 4.837 4.619 0.218 25786 1323 1 4 . 1 1 20 20 ASP C C 20 177.313 177.313 177.553 -0.240 25786 1324 1 4 . 1 1 20 20 ASP CA C 20 56.725 56.725 56.103 0.622 25786 1325 1 4 . 1 1 20 20 ASP CB C 20 40.189 40.189 41.226 -1.037 25786 1326 1 4 . 1 1 20 20 ASP H H 20 8.317 8.317 8.279 0.038 25786 1327 1 4 . 1 1 21 21 TYR N N 21 120.958 120.958 119.028 1.930 25786 1328 1 4 . 1 1 21 21 TYR HA H 21 4.058 4.058 4.472 -0.414 25786 1329 1 4 . 1 1 21 21 TYR C C 21 176.282 176.282 177.024 -0.742 25786 1330 1 4 . 1 1 21 21 TYR CA C 21 61.892 61.892 60.572 1.320 25786 1331 1 4 . 1 1 21 21 TYR CB C 21 38.655 38.655 38.059 0.596 25786 1332 1 4 . 1 1 21 21 TYR H H 21 8.679 8.679 8.046 0.633 25786 1333 1 4 . 1 1 22 22 GLN N N 22 117.715 117.715 119.418 -1.703 25786 1334 1 4 . 1 1 22 22 GLN HA H 22 3.826 3.826 3.423 0.403 25786 1335 1 4 . 1 1 22 22 GLN C C 22 178.197 178.197 178.094 0.103 25786 1336 1 4 . 1 1 22 22 GLN CA C 22 59.110 59.110 58.692 0.418 25786 1337 1 4 . 1 1 22 22 GLN CB C 22 27.430 27.430 27.605 -0.175 25786 1338 1 4 . 1 1 22 22 GLN H H 22 8.236 8.236 7.610 0.626 25786 1339 1 4 . 1 1 23 23 GLN N N 23 118.526 118.526 119.095 -0.569 25786 1340 1 4 . 1 1 23 23 GLN HA H 23 4.100 4.100 4.314 -0.214 25786 1341 1 4 . 1 1 23 23 GLN C C 23 177.521 177.521 178.727 -1.206 25786 1342 1 4 . 1 1 23 23 GLN CA C 23 58.915 58.915 58.648 0.267 25786 1343 1 4 . 1 1 23 23 GLN CB C 23 29.032 29.032 28.237 0.795 25786 1344 1 4 . 1 1 23 23 GLN H H 23 8.003 8.003 8.027 -0.024 25786 1345 1 4 . 1 1 24 24 LEU N N 24 121.914 121.914 121.183 0.731 25786 1346 1 4 . 1 1 24 24 LEU HA H 24 3.444 3.444 3.320 0.124 25786 1347 1 4 . 1 1 24 24 LEU C C 24 176.882 176.882 178.092 -1.210 25786 1348 1 4 . 1 1 24 24 LEU CA C 24 58.115 58.115 57.866 0.249 25786 1349 1 4 . 1 1 24 24 LEU CB C 24 41.704 41.704 41.486 0.218 25786 1350 1 4 . 1 1 24 24 LEU H H 24 8.031 8.031 7.694 0.337 25786 1351 1 4 . 1 1 25 25 ARG N N 25 116.645 116.645 118.761 -2.116 25786 1352 1 4 . 1 1 25 25 ARG HA H 25 3.395 3.395 3.737 -0.342 25786 1353 1 4 . 1 1 25 25 ARG C C 25 177.469 177.469 178.245 -0.776 25786 1354 1 4 . 1 1 25 25 ARG CA C 25 60.246 60.246 59.804 0.442 25786 1355 1 4 . 1 1 25 25 ARG CB C 25 29.925 29.925 29.893 0.032 25786 1356 1 4 . 1 1 25 25 ARG H H 25 7.981 7.981 8.111 -0.130 25786 1357 1 4 . 1 1 26 26 GLU N N 26 115.943 115.943 118.710 -2.767 25786 1358 1 4 . 1 1 26 26 GLU HA H 26 3.832 3.832 3.878 -0.046 25786 1359 1 4 . 1 1 26 26 GLU C C 26 179.682 179.682 179.101 0.581 25786 1360 1 4 . 1 1 26 26 GLU CA C 26 59.517 59.517 59.481 0.035 25786 1361 1 4 . 1 1 26 26 GLU CB C 26 29.439 29.439 29.279 0.160 25786 1362 1 4 . 1 1 26 26 GLU H H 26 8.160 8.160 8.337 -0.177 25786 1363 1 4 . 1 1 27 27 ARG N N 27 118.766 118.766 120.084 -1.318 25786 1364 1 4 . 1 1 27 27 ARG HA H 27 4.144 4.144 4.120 0.024 25786 1365 1 4 . 1 1 27 27 ARG C C 27 179.241 179.241 178.593 0.648 25786 1366 1 4 . 1 1 27 27 ARG CA C 27 58.855 58.855 59.048 -0.193 25786 1367 1 4 . 1 1 27 27 ARG CB C 27 29.996 29.996 30.262 -0.266 25786 1368 1 4 . 1 1 27 27 ARG H H 27 8.283 8.283 7.838 0.445 25786 1369 1 4 . 1 1 28 28 LEU N N 28 122.077 122.077 120.694 1.383 25786 1370 1 4 . 1 1 28 28 LEU HA H 28 4.106 4.106 4.053 0.053 25786 1371 1 4 . 1 1 28 28 LEU C C 28 178.766 178.766 179.200 -0.434 25786 1372 1 4 . 1 1 28 28 LEU CA C 28 58.558 58.558 58.080 0.478 25786 1373 1 4 . 1 1 28 28 LEU CB C 28 42.514 42.514 41.790 0.724 25786 1374 1 4 . 1 1 28 28 LEU H H 28 8.389 8.389 8.145 0.244 25786 1375 1 4 . 1 1 29 29 ILE N N 29 117.586 117.586 118.837 -1.251 25786 1376 1 4 . 1 1 29 29 ILE HA H 29 3.339 3.339 3.550 -0.211 25786 1377 1 4 . 1 1 29 29 ILE C C 29 177.927 177.927 177.948 -0.021 25786 1378 1 4 . 1 1 29 29 ILE CA C 29 66.203 66.203 65.755 0.448 25786 1379 1 4 . 1 1 29 29 ILE CB C 29 37.823 37.823 37.565 0.258 25786 1380 1 4 . 1 1 29 29 ILE H H 29 7.914 7.914 8.247 -0.333 25786 1381 1 4 . 1 1 30 30 GLN N N 30 116.395 116.395 117.535 -1.140 25786 1382 1 4 . 1 1 30 30 GLN HA H 30 4.157 4.157 4.149 0.008 25786 1383 1 4 . 1 1 30 30 GLN C C 30 179.400 179.400 179.294 0.106 25786 1384 1 4 . 1 1 30 30 GLN CA C 30 58.410 58.410 58.031 0.379 25786 1385 1 4 . 1 1 30 30 GLN CB C 30 28.804 28.804 28.287 0.517 25786 1386 1 4 . 1 1 30 30 GLN H H 30 7.287 7.287 7.628 -0.341 25786 1387 1 4 . 1 1 31 31 GLU N N 31 120.336 120.336 121.210 -0.874 25786 1388 1 4 . 1 1 31 31 GLU HA H 31 4.023 4.023 4.185 -0.162 25786 1389 1 4 . 1 1 31 31 GLU C C 31 178.395 178.395 178.513 -0.118 25786 1390 1 4 . 1 1 31 31 GLU CA C 31 59.377 59.377 58.871 0.506 25786 1391 1 4 . 1 1 31 31 GLU CB C 31 30.436 30.436 29.853 0.583 25786 1392 1 4 . 1 1 31 31 GLU H H 31 8.814 8.814 8.414 0.400 25786 1393 1 4 . 1 1 32 32 LEU N N 32 115.139 115.139 116.743 -1.604 25786 1394 1 4 . 1 1 32 32 LEU HA H 32 4.377 4.377 4.409 -0.032 25786 1395 1 4 . 1 1 32 32 LEU C C 32 176.033 176.033 176.363 -0.330 25786 1396 1 4 . 1 1 32 32 LEU CA C 32 54.101 54.101 54.132 -0.031 25786 1397 1 4 . 1 1 32 32 LEU CB C 32 41.354 41.354 42.081 -0.727 25786 1398 1 4 . 1 1 32 32 LEU H H 32 8.109 8.109 8.080 0.029 25786 1399 1 4 . 1 1 33 33 ASN N N 33 116.751 116.751 116.745 0.006 25786 1400 1 4 . 1 1 33 33 ASN HA H 33 4.453 4.453 4.363 0.090 25786 1401 1 4 . 1 1 33 33 ASN C C 33 174.288 174.288 174.294 -0.006 25786 1402 1 4 . 1 1 33 33 ASN CA C 33 54.024 54.024 54.042 -0.018 25786 1403 1 4 . 1 1 33 33 ASN CB C 33 36.929 36.929 37.671 -0.742 25786 1404 1 4 . 1 1 33 33 ASN H H 33 7.796 7.796 7.607 0.189 25786 1405 1 4 . 1 1 34 34 LEU N N 34 117.139 117.139 117.309 -0.170 25786 1406 1 4 . 1 1 34 34 LEU HA H 34 4.787 4.787 4.863 -0.076 25786 1407 1 4 . 1 1 34 34 LEU C C 34 176.521 176.521 175.311 1.210 25786 1408 1 4 . 1 1 34 34 LEU CA C 34 53.079 53.079 53.266 -0.187 25786 1409 1 4 . 1 1 34 34 LEU CB C 34 44.673 44.673 46.062 -1.389 25786 1410 1 4 . 1 1 34 34 LEU H H 34 7.728 7.728 8.528 -0.800 25786 1411 1 4 . 1 1 35 35 THR N N 35 110.751 110.751 107.837 2.914 25786 1412 1 4 . 1 1 35 35 THR HA H 35 4.803 4.803 4.797 0.006 25786 1413 1 4 . 1 1 35 35 THR C C 35 174.438 174.438 173.274 1.164 25786 1414 1 4 . 1 1 35 35 THR CA C 35 59.445 59.445 58.697 0.748 25786 1415 1 4 . 1 1 35 35 THR CB C 35 68.651 68.651 69.794 -1.143 25786 1416 1 4 . 1 1 35 35 THR H H 35 8.001 8.001 7.978 0.023 25786 1417 1 4 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.519 -0.442 25786 1418 1 4 . 1 1 36 36 PRO CA C 36 65.645 65.645 64.648 0.997 25786 1419 1 4 . 1 1 36 36 PRO CB C 36 31.632 31.632 32.273 -0.641 25786 1420 1 4 . 1 1 37 37 GLN N N 37 112.874 112.874 115.635 -2.761 25786 1421 1 4 . 1 1 37 37 GLN HA H 37 4.105 4.105 4.152 -0.047 25786 1422 1 4 . 1 1 37 37 GLN C C 37 176.960 176.960 177.367 -0.407 25786 1423 1 4 . 1 1 37 37 GLN CA C 37 57.891 57.891 58.014 -0.123 25786 1424 1 4 . 1 1 37 37 GLN CB C 37 27.902 27.902 28.638 -0.736 25786 1425 1 4 . 1 1 37 37 GLN H H 37 8.005 8.005 8.306 -0.301 25786 1426 1 4 . 1 1 38 38 GLN N N 38 116.477 116.477 117.448 -0.971 25786 1427 1 4 . 1 1 38 38 GLN HA H 38 4.187 4.187 4.358 -0.171 25786 1428 1 4 . 1 1 38 38 GLN C C 38 175.508 175.508 176.851 -1.343 25786 1429 1 4 . 1 1 38 38 GLN CA C 38 56.398 56.398 56.526 -0.128 25786 1430 1 4 . 1 1 38 38 GLN CB C 38 31.126 31.126 30.341 0.785 25786 1431 1 4 . 1 1 38 38 GLN H H 38 7.663 7.663 7.736 -0.073 25786 1432 1 4 . 1 1 39 39 LEU N N 39 120.726 120.726 120.831 -0.105 25786 1433 1 4 . 1 1 39 39 LEU HA H 39 4.371 4.371 4.470 -0.099 25786 1434 1 4 . 1 1 39 39 LEU C C 39 174.277 174.277 175.486 -1.209 25786 1435 1 4 . 1 1 39 39 LEU CA C 39 53.959 53.959 53.909 0.050 25786 1436 1 4 . 1 1 39 39 LEU CB C 39 41.610 41.610 40.514 1.097 25786 1437 1 4 . 1 1 39 39 LEU H H 39 7.286 7.286 8.304 -1.018 25786 1438 1 4 . 1 1 40 40 HIS N N 40 124.680 124.680 122.174 2.506 25786 1439 1 4 . 1 1 40 40 HIS HA H 40 4.808 4.808 4.691 0.117 25786 1440 1 4 . 1 1 40 40 HIS C C 40 176.727 176.727 176.544 0.183 25786 1441 1 4 . 1 1 40 40 HIS CA C 40 54.762 54.762 55.935 -1.173 25786 1442 1 4 . 1 1 40 40 HIS CB C 40 31.521 31.521 32.600 -1.079 25786 1443 1 4 . 1 1 40 40 HIS H H 40 8.158 8.158 7.923 0.235 25786 1444 1 4 . 1 1 41 41 GLU HA H 41 4.029 4.029 3.997 0.032 25786 1445 1 4 . 1 1 42 42 GLU N N 42 113.813 113.813 118.022 -4.209 25786 1446 1 4 . 1 1 42 42 GLU HA H 42 4.547 4.547 4.328 0.219 25786 1447 1 4 . 1 1 42 42 GLU C C 42 176.680 176.680 176.238 0.442 25786 1448 1 4 . 1 1 42 42 GLU CA C 42 55.313 55.313 56.012 -0.699 25786 1449 1 4 . 1 1 42 42 GLU CB C 42 29.165 29.165 29.185 -0.020 25786 1450 1 4 . 1 1 42 42 GLU H H 42 8.808 8.808 8.044 0.764 25786 1451 1 4 . 1 1 43 43 SER N N 43 118.066 118.066 117.136 0.930 25786 1452 1 4 . 1 1 43 43 SER HA H 43 4.088 4.088 4.359 -0.271 25786 1453 1 4 . 1 1 43 43 SER C C 43 173.663 173.663 173.600 0.063 25786 1454 1 4 . 1 1 43 43 SER CA C 43 60.156 60.156 58.626 1.530 25786 1455 1 4 . 1 1 43 43 SER CB C 43 62.827 62.827 63.891 -1.064 25786 1456 1 4 . 1 1 43 43 SER H H 43 7.485 7.485 7.855 -0.370 25786 1457 1 4 . 1 1 44 44 ASN N N 44 123.218 123.218 124.269 -1.051 25786 1458 1 4 . 1 1 44 44 ASN HA H 44 4.392 4.392 4.874 -0.482 25786 1459 1 4 . 1 1 44 44 ASN C C 44 176.926 176.926 176.504 0.422 25786 1460 1 4 . 1 1 44 44 ASN CA C 44 53.987 53.987 53.262 0.725 25786 1461 1 4 . 1 1 44 44 ASN CB C 44 38.433 38.433 38.547 -0.114 25786 1462 1 4 . 1 1 44 44 ASN H H 44 8.811 8.811 8.840 -0.029 25786 1463 1 4 . 1 1 45 45 LEU N N 45 128.735 128.735 126.034 2.701 25786 1464 1 4 . 1 1 45 45 LEU HA H 45 3.722 3.722 3.943 -0.221 25786 1465 1 4 . 1 1 45 45 LEU C C 45 178.143 178.143 178.475 -0.332 25786 1466 1 4 . 1 1 45 45 LEU CA C 45 57.149 57.149 57.691 -0.542 25786 1467 1 4 . 1 1 45 45 LEU CB C 45 42.250 42.250 41.873 0.377 25786 1468 1 4 . 1 1 45 45 LEU H H 45 9.385 9.385 8.571 0.814 25786 1469 1 4 . 1 1 46 46 ILE N N 46 119.379 119.379 118.738 0.641 25786 1470 1 4 . 1 1 46 46 ILE HA H 46 4.187 4.187 4.010 0.177 25786 1471 1 4 . 1 1 46 46 ILE C C 46 180.926 180.926 179.087 1.839 25786 1472 1 4 . 1 1 46 46 ILE CA C 46 63.814 63.814 64.930 -1.116 25786 1473 1 4 . 1 1 46 46 ILE CB C 46 36.709 36.709 37.899 -1.190 25786 1474 1 4 . 1 1 46 46 ILE H H 46 7.659 7.659 7.934 -0.275 25786 1475 1 4 . 1 1 47 47 GLN N N 47 121.737 121.737 119.583 2.154 25786 1476 1 4 . 1 1 47 47 GLN HA H 47 3.989 3.989 4.189 -0.200 25786 1477 1 4 . 1 1 47 47 GLN C C 47 177.739 177.739 176.509 1.230 25786 1478 1 4 . 1 1 47 47 GLN CA C 47 58.033 58.033 57.873 0.160 25786 1479 1 4 . 1 1 47 47 GLN CB C 47 27.985 27.985 28.801 -0.816 25786 1480 1 4 . 1 1 47 47 GLN H H 47 8.161 8.161 8.059 0.102 25786 1481 1 4 . 1 1 48 48 ALA N N 48 117.777 117.777 120.607 -2.830 25786 1482 1 4 . 1 1 48 48 ALA HA H 48 4.260 4.260 4.341 -0.081 25786 1483 1 4 . 1 1 48 48 ALA C C 48 176.582 176.582 177.606 -1.024 25786 1484 1 4 . 1 1 48 48 ALA CA C 48 52.710 52.710 52.545 0.165 25786 1485 1 4 . 1 1 48 48 ALA CB C 48 18.601 18.601 20.450 -1.849 25786 1486 1 4 . 1 1 48 48 ALA H H 48 7.448 7.448 7.175 0.273 25786 1487 1 4 . 1 1 49 49 GLY N N 49 102.932 102.932 105.949 -3.017 25786 1488 1 4 . 1 1 49 49 GLY C C 49 174.451 174.451 172.263 2.188 25786 1489 1 4 . 1 1 49 49 GLY CA C 49 44.967 44.967 45.248 -0.281 25786 1490 1 4 . 1 1 49 49 GLY H H 49 7.445 7.445 8.064 -0.619 25786 1491 1 4 . 1 1 50 50 LEU N N 50 123.058 123.058 121.727 1.331 25786 1492 1 4 . 1 1 50 50 LEU HA H 50 4.257 4.257 4.935 -0.678 25786 1493 1 4 . 1 1 50 50 LEU C C 50 173.460 173.460 174.911 -1.451 25786 1494 1 4 . 1 1 50 50 LEU CA C 50 55.909 55.909 53.848 2.061 25786 1495 1 4 . 1 1 50 50 LEU CB C 50 41.454 41.454 45.304 -3.850 25786 1496 1 4 . 1 1 50 50 LEU H H 50 8.545 8.545 7.426 1.119 25786 1497 1 4 . 1 1 54 54 ARG N N 54 121.407 121.407 122.072 -0.665 25786 1498 1 4 . 1 1 54 54 ARG HA H 54 4.088 4.088 3.928 0.160 25786 1499 1 4 . 1 1 54 54 ARG C C 54 179.647 179.647 178.570 1.077 25786 1500 1 4 . 1 1 54 54 ARG CA C 54 59.615 59.615 59.176 0.439 25786 1501 1 4 . 1 1 54 54 ARG CB C 54 30.633 30.633 30.768 -0.135 25786 1502 1 4 . 1 1 54 54 ARG H H 54 8.412 8.412 9.049 -0.637 25786 1503 1 4 . 1 1 55 55 LEU N N 55 121.118 121.118 121.858 -0.740 25786 1504 1 4 . 1 1 55 55 LEU HA H 55 4.332 4.332 4.495 -0.163 25786 1505 1 4 . 1 1 55 55 LEU C C 55 178.416 178.416 178.132 0.284 25786 1506 1 4 . 1 1 55 55 LEU CA C 55 59.035 59.035 58.300 0.735 25786 1507 1 4 . 1 1 55 55 LEU CB C 55 41.718 41.718 41.368 0.350 25786 1508 1 4 . 1 1 55 55 LEU H H 55 9.050 9.050 8.418 0.632 25786 1509 1 4 . 1 1 56 56 MET N N 56 117.969 117.969 117.276 0.693 25786 1510 1 4 . 1 1 56 56 MET HA H 56 4.284 4.284 4.116 0.168 25786 1511 1 4 . 1 1 56 56 MET C C 56 178.301 178.301 178.942 -0.641 25786 1512 1 4 . 1 1 56 56 MET CA C 56 57.927 57.927 58.576 -0.649 25786 1513 1 4 . 1 1 56 56 MET CB C 56 31.317 31.317 32.211 -0.894 25786 1514 1 4 . 1 1 56 56 MET H H 56 7.875 7.875 8.293 -0.418 25786 1515 1 4 . 1 1 57 57 ARG N N 57 119.532 119.532 118.379 1.153 25786 1516 1 4 . 1 1 57 57 ARG HA H 57 4.096 4.096 4.199 -0.103 25786 1517 1 4 . 1 1 57 57 ARG C C 57 180.458 180.458 178.545 1.913 25786 1518 1 4 . 1 1 57 57 ARG CA C 57 59.770 59.770 59.444 0.326 25786 1519 1 4 . 1 1 57 57 ARG CB C 57 29.520 29.520 29.501 0.019 25786 1520 1 4 . 1 1 57 57 ARG H H 57 7.609 7.609 8.363 -0.754 25786 1521 1 4 . 1 1 58 58 TRP N N 58 121.820 121.820 118.907 2.913 25786 1522 1 4 . 1 1 58 58 TRP HA H 58 4.465 4.465 4.334 0.131 25786 1523 1 4 . 1 1 58 58 TRP C C 58 177.973 177.973 178.169 -0.196 25786 1524 1 4 . 1 1 58 58 TRP CA C 58 61.063 61.063 58.834 2.229 25786 1525 1 4 . 1 1 58 58 TRP CB C 58 28.348 28.348 29.297 -0.949 25786 1526 1 4 . 1 1 58 58 TRP H H 58 8.207 8.207 7.597 0.610 25786 1527 1 4 . 1 1 59 59 LEU N N 59 121.654 121.654 120.273 1.381 25786 1528 1 4 . 1 1 59 59 LEU HA H 59 4.274 4.274 4.267 0.007 25786 1529 1 4 . 1 1 59 59 LEU C C 59 178.823 178.823 178.106 0.717 25786 1530 1 4 . 1 1 59 59 LEU CA C 59 59.044 59.044 57.887 1.157 25786 1531 1 4 . 1 1 59 59 LEU CB C 59 40.851 40.851 41.443 -0.592 25786 1532 1 4 . 1 1 59 59 LEU H H 59 8.599 8.599 7.820 0.779 25786 1533 1 4 . 1 1 60 60 HIS N N 60 116.952 116.952 116.540 0.412 25786 1534 1 4 . 1 1 60 60 HIS HA H 60 4.389 4.389 4.429 -0.040 25786 1535 1 4 . 1 1 60 60 HIS C C 60 177.635 177.635 176.100 1.535 25786 1536 1 4 . 1 1 60 60 HIS CA C 60 59.755 59.755 59.812 -0.057 25786 1537 1 4 . 1 1 60 60 HIS CB C 60 30.083 30.083 29.276 0.807 25786 1538 1 4 . 1 1 60 60 HIS H H 60 7.909 7.909 7.562 0.347 25786 1539 1 4 . 1 1 61 61 TRP N N 61 123.194 123.194 121.454 1.740 25786 1540 1 4 . 1 1 61 61 TRP HA H 61 4.032 4.032 4.451 -0.419 25786 1541 1 4 . 1 1 61 61 TRP C C 61 179.298 179.298 177.214 2.084 25786 1542 1 4 . 1 1 61 61 TRP CA C 61 62.541 62.541 60.637 1.904 25786 1543 1 4 . 1 1 61 61 TRP CB C 61 28.839 28.839 29.782 -0.943 25786 1544 1 4 . 1 1 61 61 TRP H H 61 8.142 8.142 7.428 0.714 25786 1545 1 4 . 1 1 62 62 PHE N N 62 120.038 120.038 118.771 1.267 25786 1546 1 4 . 1 1 62 62 PHE HA H 62 4.205 4.205 3.849 0.356 25786 1547 1 4 . 1 1 62 62 PHE C C 62 179.080 179.080 178.639 0.441 25786 1548 1 4 . 1 1 62 62 PHE CA C 62 63.629 63.629 62.346 1.283 25786 1549 1 4 . 1 1 62 62 PHE CB C 62 38.664 38.664 38.181 0.483 25786 1550 1 4 . 1 1 62 62 PHE H H 62 9.447 9.447 8.593 0.854 25786 1551 1 4 . 1 1 63 63 ARG N N 63 118.560 118.560 118.024 0.536 25786 1552 1 4 . 1 1 63 63 ARG HA H 63 4.258 4.258 4.357 -0.099 25786 1553 1 4 . 1 1 63 63 ARG C C 63 181.328 181.328 178.318 3.010 25786 1554 1 4 . 1 1 63 63 ARG CA C 63 59.257 59.257 58.883 0.374 25786 1555 1 4 . 1 1 63 63 ARG CB C 63 29.697 29.697 30.274 -0.577 25786 1556 1 4 . 1 1 63 63 ARG H H 63 8.665 8.665 8.461 0.204 25786 1557 1 4 . 1 1 64 64 LYS N N 64 122.759 122.759 117.123 5.636 25786 1558 1 4 . 1 1 64 64 LYS HA H 64 4.019 4.019 4.193 -0.174 25786 1559 1 4 . 1 1 64 64 LYS C C 64 177.595 177.595 177.018 0.577 25786 1560 1 4 . 1 1 64 64 LYS CA C 64 58.651 58.651 57.864 0.787 25786 1561 1 4 . 1 1 64 64 LYS CB C 64 31.510 31.510 32.270 -0.760 25786 1562 1 4 . 1 1 64 64 LYS H H 64 8.690 8.690 7.642 1.048 25786 1563 1 4 . 1 1 65 65 ASN N N 65 115.681 115.681 115.807 -0.126 25786 1564 1 4 . 1 1 65 65 ASN HA H 65 4.532 4.532 4.789 -0.257 25786 1565 1 4 . 1 1 65 65 ASN C C 65 173.405 173.405 174.606 -1.201 25786 1566 1 4 . 1 1 65 65 ASN CA C 65 53.685 53.685 51.923 1.762 25786 1567 1 4 . 1 1 65 65 ASN CB C 65 39.038 39.038 38.664 0.374 25786 1568 1 4 . 1 1 65 65 ASN H H 65 7.246 7.246 7.650 -0.404 25786 1569 1 4 . 1 1 66 66 GLY N N 66 105.186 105.186 105.421 -0.235 25786 1570 1 4 . 1 1 66 66 GLY C C 66 173.869 173.869 173.605 0.264 25786 1571 1 4 . 1 1 66 66 GLY CA C 66 45.539 45.539 44.966 0.573 25786 1572 1 4 . 1 1 66 66 GLY H H 66 7.603 7.603 7.447 0.156 25786 1573 1 4 . 1 1 67 67 TYR N N 67 119.699 119.699 120.464 -0.765 25786 1574 1 4 . 1 1 67 67 TYR HA H 67 4.542 4.542 4.462 0.080 25786 1575 1 4 . 1 1 67 67 TYR C C 67 175.838 175.838 175.476 0.362 25786 1576 1 4 . 1 1 67 67 TYR CA C 67 57.858 57.858 56.747 1.111 25786 1577 1 4 . 1 1 67 67 TYR CB C 67 38.564 38.564 37.992 0.572 25786 1578 1 4 . 1 1 67 67 TYR H H 67 8.248 8.248 8.132 0.116 25786 1579 1 4 . 1 1 68 68 ARG N N 68 125.588 125.588 126.162 -0.574 25786 1580 1 4 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.360 0.029 25786 1581 1 4 . 1 1 68 68 ARG C C 68 174.479 174.479 175.474 -0.995 25786 1582 1 4 . 1 1 68 68 ARG CA C 68 55.649 55.649 56.161 -0.512 25786 1583 1 4 . 1 1 68 68 ARG CB C 68 28.357 28.357 28.663 -0.306 25786 1584 1 4 . 1 1 68 68 ARG H H 68 8.550 8.550 8.684 -0.134 25786 1585 1 4 . 1 1 69 69 LEU N N 69 122.034 122.034 124.607 -2.573 25786 1586 1 4 . 1 1 69 69 LEU HA H 69 4.711 4.711 4.717 -0.006 25786 1587 1 4 . 1 1 69 69 LEU C C 69 175.630 175.630 175.680 -0.050 25786 1588 1 4 . 1 1 69 69 LEU CA C 69 53.367 53.367 53.372 -0.005 25786 1589 1 4 . 1 1 69 69 LEU CB C 69 44.286 44.286 45.945 -1.659 25786 1590 1 4 . 1 1 69 69 LEU H H 69 7.421 7.421 8.026 -0.605 25786 1591 1 4 . 1 1 70 70 THR N N 70 109.789 109.789 115.547 -5.758 25786 1592 1 4 . 1 1 70 70 THR HA H 70 4.721 4.721 4.667 0.054 25786 1593 1 4 . 1 1 70 70 THR C C 70 174.636 174.636 174.834 -0.198 25786 1594 1 4 . 1 1 70 70 THR CA C 70 59.377 59.377 61.220 -1.843 25786 1595 1 4 . 1 1 70 70 THR CB C 70 72.180 72.180 71.049 1.131 25786 1596 1 4 . 1 1 70 70 THR H H 70 8.163 8.163 9.085 -0.922 25786 1597 1 4 . 1 1 71 71 LEU N N 71 122.563 122.563 123.747 -1.184 25786 1598 1 4 . 1 1 71 71 LEU HA H 71 3.885 3.885 4.177 -0.292 25786 1599 1 4 . 1 1 71 71 LEU C C 71 178.632 178.632 177.711 0.921 25786 1600 1 4 . 1 1 71 71 LEU CA C 71 58.196 58.196 57.641 0.555 25786 1601 1 4 . 1 1 71 71 LEU CB C 71 41.940 41.940 41.974 -0.034 25786 1602 1 4 . 1 1 71 71 LEU H H 71 8.825 8.825 8.630 0.195 25786 1603 1 4 . 1 1 72 72 ARG N N 72 115.949 115.949 118.939 -2.990 25786 1604 1 4 . 1 1 72 72 ARG HA H 72 3.876 3.876 4.288 -0.412 25786 1605 1 4 . 1 1 72 72 ARG C C 72 178.893 178.893 178.540 0.353 25786 1606 1 4 . 1 1 72 72 ARG CA C 72 59.147 59.147 59.592 -0.445 25786 1607 1 4 . 1 1 72 72 ARG CB C 72 29.631 29.631 29.268 0.363 25786 1608 1 4 . 1 1 72 72 ARG H H 72 8.244 8.244 8.443 -0.199 25786 1609 1 4 . 1 1 73 73 GLU N N 73 117.665 117.665 120.103 -2.438 25786 1610 1 4 . 1 1 73 73 GLU HA H 73 3.951 3.951 4.106 -0.155 25786 1611 1 4 . 1 1 73 73 GLU C C 73 178.762 178.762 179.183 -0.421 25786 1612 1 4 . 1 1 73 73 GLU CA C 73 59.092 59.092 59.707 -0.615 25786 1613 1 4 . 1 1 73 73 GLU CB C 73 29.739 29.739 28.604 1.135 25786 1614 1 4 . 1 1 73 73 GLU H H 73 7.461 7.461 8.197 -0.736 25786 1615 1 4 . 1 1 74 74 LEU N N 74 117.724 117.724 119.648 -1.924 25786 1616 1 4 . 1 1 74 74 LEU HA H 74 3.898 3.898 4.317 -0.419 25786 1617 1 4 . 1 1 74 74 LEU C C 74 179.355 179.355 179.883 -0.528 25786 1618 1 4 . 1 1 74 74 LEU CA C 74 57.469 57.469 57.436 0.033 25786 1619 1 4 . 1 1 74 74 LEU CB C 74 41.619 41.619 41.672 -0.054 25786 1620 1 4 . 1 1 74 74 LEU H H 74 7.413 7.413 7.283 0.130 25786 1621 1 4 . 1 1 75 75 TYR N N 75 114.976 114.976 118.366 -3.390 25786 1622 1 4 . 1 1 75 75 TYR HA H 75 4.054 4.054 4.423 -0.369 25786 1623 1 4 . 1 1 75 75 TYR C C 75 176.656 176.656 177.870 -1.214 25786 1624 1 4 . 1 1 75 75 TYR CA C 75 60.638 60.638 60.849 -0.211 25786 1625 1 4 . 1 1 75 75 TYR CB C 75 39.688 39.688 38.113 1.575 25786 1626 1 4 . 1 1 75 75 TYR H H 75 8.086 8.086 7.926 0.160 25786 1627 1 4 . 1 1 76 76 ALA N N 76 119.116 119.116 120.752 -1.636 25786 1628 1 4 . 1 1 76 76 ALA HA H 76 4.052 4.052 4.309 -0.257 25786 1629 1 4 . 1 1 76 76 ALA C C 76 178.156 178.156 177.342 0.814 25786 1630 1 4 . 1 1 76 76 ALA CA C 76 54.468 54.468 53.427 1.041 25786 1631 1 4 . 1 1 76 76 ALA CB C 76 18.535 18.535 19.518 -0.983 25786 1632 1 4 . 1 1 76 76 ALA H H 76 7.776 7.776 7.953 -0.177 25786 1633 1 4 . 1 1 77 77 ALA N N 77 116.862 116.862 120.556 -3.694 25786 1634 1 4 . 1 1 77 77 ALA C C 77 173.737 173.737 174.513 -0.776 25786 1635 1 4 . 1 1 77 77 ALA CA C 77 49.713 49.713 49.463 0.250 25786 1636 1 4 . 1 1 77 77 ALA CB C 77 19.226 19.226 19.490 -0.264 25786 1637 1 4 . 1 1 77 77 ALA H H 77 6.706 6.706 8.006 -1.300 25786 1638 1 4 . 1 1 78 78 PRO HA H 78 5.018 5.018 4.681 0.337 25786 1639 1 4 . 1 1 78 78 PRO CA C 78 61.523 61.523 62.389 -0.866 25786 1640 1 4 . 1 1 78 78 PRO CB C 78 28.845 28.845 30.552 -1.707 25786 1641 1 4 . 1 1 79 79 THR N N 79 111.947 111.947 112.641 -0.694 25786 1642 1 4 . 1 1 79 79 THR HA H 79 4.396 4.396 4.826 -0.430 25786 1643 1 4 . 1 1 79 79 THR C C 79 173.000 173.000 174.336 -1.336 25786 1644 1 4 . 1 1 79 79 THR CA C 79 58.059 58.059 59.697 -1.638 25786 1645 1 4 . 1 1 79 79 THR CB C 79 72.247 72.247 72.397 -0.150 25786 1646 1 4 . 1 1 79 79 THR H H 79 7.664 7.664 7.112 0.552 25786 1647 1 4 . 1 1 80 80 LEU N N 80 123.227 123.227 123.308 -0.081 25786 1648 1 4 . 1 1 80 80 LEU HA H 80 3.747 3.747 4.091 -0.344 25786 1649 1 4 . 1 1 80 80 LEU C C 80 179.028 179.028 177.933 1.095 25786 1650 1 4 . 1 1 80 80 LEU CA C 80 58.209 58.209 57.451 0.758 25786 1651 1 4 . 1 1 80 80 LEU CB C 80 41.579 41.579 41.751 -0.172 25786 1652 1 4 . 1 1 80 80 LEU H H 80 9.609 9.609 8.516 1.093 25786 1653 1 4 . 1 1 81 81 ALA N N 81 119.663 119.663 122.548 -2.885 25786 1654 1 4 . 1 1 81 81 ALA HA H 81 4.141 4.141 3.918 0.223 25786 1655 1 4 . 1 1 81 81 ALA C C 81 181.038 181.038 179.014 2.024 25786 1656 1 4 . 1 1 81 81 ALA CA C 81 54.876 54.876 55.143 -0.267 25786 1657 1 4 . 1 1 81 81 ALA CB C 81 18.428 18.428 17.976 0.452 25786 1658 1 4 . 1 1 81 81 ALA H H 81 8.831 8.831 8.415 0.416 25786 1659 1 4 . 1 1 82 82 ALA N N 82 122.181 122.181 121.097 1.084 25786 1660 1 4 . 1 1 82 82 ALA HA H 82 4.225 4.225 4.124 0.101 25786 1661 1 4 . 1 1 82 82 ALA C C 82 181.868 181.868 179.754 2.114 25786 1662 1 4 . 1 1 82 82 ALA CA C 82 54.808 54.808 54.883 -0.075 25786 1663 1 4 . 1 1 82 82 ALA CB C 82 19.088 19.088 18.328 0.759 25786 1664 1 4 . 1 1 82 82 ALA H H 82 8.272 8.272 7.644 0.628 25786 1665 1 4 . 1 1 83 83 TRP N N 83 123.399 123.399 119.130 4.269 25786 1666 1 4 . 1 1 83 83 TRP HA H 83 4.543 4.543 4.213 0.330 25786 1667 1 4 . 1 1 83 83 TRP C C 83 178.633 178.633 178.630 0.003 25786 1668 1 4 . 1 1 83 83 TRP CA C 83 59.562 59.562 58.813 0.749 25786 1669 1 4 . 1 1 83 83 TRP CB C 83 28.301 28.301 28.418 -0.117 25786 1670 1 4 . 1 1 83 83 TRP H H 83 9.378 9.378 8.003 1.375 25786 1671 1 4 . 1 1 84 84 ASN N N 84 118.250 118.250 117.585 0.665 25786 1672 1 4 . 1 1 84 84 ASN HA H 84 4.616 4.616 4.198 0.418 25786 1673 1 4 . 1 1 84 84 ASN C C 84 177.231 177.231 177.619 -0.388 25786 1674 1 4 . 1 1 84 84 ASN CA C 84 57.096 57.096 55.932 1.164 25786 1675 1 4 . 1 1 84 84 ASN CB C 84 39.229 39.229 37.710 1.519 25786 1676 1 4 . 1 1 84 84 ASN H H 84 9.136 9.136 8.407 0.729 25786 1677 1 4 . 1 1 85 85 GLN N N 85 116.261 116.261 118.970 -2.709 25786 1678 1 4 . 1 1 85 85 GLN HA H 85 4.011 4.011 3.933 0.078 25786 1679 1 4 . 1 1 85 85 GLN C C 85 179.455 179.455 178.378 1.077 25786 1680 1 4 . 1 1 85 85 GLN CA C 85 58.748 58.748 58.877 -0.129 25786 1681 1 4 . 1 1 85 85 GLN CB C 85 27.840 27.840 28.801 -0.961 25786 1682 1 4 . 1 1 85 85 GLN H H 85 7.511 7.511 7.890 -0.379 25786 1683 1 4 . 1 1 86 86 LEU N N 86 121.554 121.554 118.859 2.695 25786 1684 1 4 . 1 1 86 86 LEU HA H 86 4.041 4.041 4.011 0.030 25786 1685 1 4 . 1 1 86 86 LEU C C 86 179.171 179.171 178.381 0.790 25786 1686 1 4 . 1 1 86 86 LEU CA C 86 57.804 57.804 57.261 0.542 25786 1687 1 4 . 1 1 86 86 LEU CB C 86 41.915 41.915 41.506 0.409 25786 1688 1 4 . 1 1 86 86 LEU H H 86 8.172 8.172 8.173 -0.001 25786 1689 1 4 . 1 1 87 87 MET N N 87 117.874 117.874 114.052 3.822 25786 1690 1 4 . 1 1 87 87 MET HA H 87 3.752 3.752 4.432 -0.680 25786 1691 1 4 . 1 1 87 87 MET C C 87 178.221 178.221 178.331 -0.110 25786 1692 1 4 . 1 1 87 87 MET CA C 87 59.481 59.481 56.486 2.995 25786 1693 1 4 . 1 1 87 87 MET CB C 87 34.875 34.875 32.221 2.654 25786 1694 1 4 . 1 1 87 87 MET H H 87 8.197 8.197 7.228 0.969 25786 1695 1 4 . 1 1 88 88 LEU N N 88 117.598 117.598 122.609 -5.011 25786 1696 1 4 . 1 1 88 88 LEU HA H 88 4.054 4.054 4.526 -0.472 25786 1697 1 4 . 1 1 88 88 LEU C C 88 179.237 179.237 178.408 0.829 25786 1698 1 4 . 1 1 88 88 LEU CA C 88 57.076 57.076 58.138 -1.062 25786 1699 1 4 . 1 1 88 88 LEU CB C 88 42.395 42.395 42.468 -0.073 25786 1700 1 4 . 1 1 88 88 LEU H H 88 7.902 7.902 7.649 0.253 25786 1701 1 4 . 1 1 89 89 SER N N 89 113.195 113.195 116.382 -3.187 25786 1702 1 4 . 1 1 89 89 SER HA H 89 4.038 4.038 4.284 -0.246 25786 1703 1 4 . 1 1 89 89 SER C C 89 175.090 175.090 176.327 -1.237 25786 1704 1 4 . 1 1 89 89 SER CA C 89 59.901 59.901 61.542 -1.641 25786 1705 1 4 . 1 1 89 89 SER CB C 89 63.834 63.834 63.045 0.789 25786 1706 1 4 . 1 1 89 89 SER H H 89 7.958 7.958 8.735 -0.777 25786 1707 1 4 . 1 1 90 90 ARG N N 90 122.031 122.031 118.951 3.080 25786 1708 1 4 . 1 1 90 90 ARG HA H 90 4.701 4.701 4.537 0.164 25786 1709 1 4 . 1 1 90 90 ARG C C 90 175.695 175.695 176.116 -0.421 25786 1710 1 4 . 1 1 90 90 ARG CA C 90 53.905 53.905 55.155 -1.250 25786 1711 1 4 . 1 1 90 90 ARG CB C 90 29.631 29.631 30.016 -0.385 25786 1712 1 4 . 1 1 90 90 ARG H H 90 7.923 7.923 7.598 0.325 25786 1713 1 4 . 1 1 91 91 SER N N 91 117.191 117.191 117.073 0.118 25786 1714 1 4 . 1 1 91 91 SER C C 91 172.914 172.914 172.755 0.159 25786 1715 1 4 . 1 1 91 91 SER CA C 91 57.104 57.104 55.693 1.411 25786 1716 1 4 . 1 1 91 91 SER CB C 91 63.437 63.437 64.958 -1.521 25786 1717 1 4 . 1 1 91 91 SER H H 91 7.752 7.752 7.726 0.026 25786 1718 1 4 . 1 1 92 92 PRO HA H 92 4.420 4.420 4.581 -0.161 25786 1719 1 4 . 1 1 92 92 PRO CA C 92 63.414 63.414 62.506 0.908 25786 1720 1 4 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.414 -0.519 25786 1721 1 5 . 1 1 15 15 ASN N N 15 119.857 119.857 117.357 2.500 25786 1722 1 5 . 1 1 15 15 ASN HA H 15 4.719 4.719 4.343 0.376 25786 1723 1 5 . 1 1 15 15 ASN C C 15 175.735 175.735 175.431 0.304 25786 1724 1 5 . 1 1 15 15 ASN CA C 15 53.556 53.556 55.820 -2.264 25786 1725 1 5 . 1 1 15 15 ASN CB C 15 38.731 38.731 37.917 0.814 25786 1726 1 5 . 1 1 15 15 ASN H H 15 8.425 8.425 8.550 -0.125 25786 1727 1 5 . 1 1 16 16 ARG N N 16 122.030 122.030 119.925 2.105 25786 1728 1 5 . 1 1 16 16 ARG HA H 16 4.211 4.211 4.684 -0.473 25786 1729 1 5 . 1 1 16 16 ARG C C 16 176.669 176.669 177.802 -1.133 25786 1730 1 5 . 1 1 16 16 ARG CA C 16 57.735 57.735 55.711 2.024 25786 1731 1 5 . 1 1 16 16 ARG CB C 16 30.224 30.224 30.795 -0.571 25786 1732 1 5 . 1 1 16 16 ARG H H 16 8.347 8.347 8.123 0.224 25786 1733 1 5 . 1 1 17 17 HIS N N 17 118.590 118.590 120.043 -1.453 25786 1734 1 5 . 1 1 17 17 HIS HA H 17 4.563 4.563 4.473 0.090 25786 1735 1 5 . 1 1 17 17 HIS C C 17 176.284 176.284 177.041 -0.757 25786 1736 1 5 . 1 1 17 17 HIS CA C 17 58.394 58.394 59.492 -1.098 25786 1737 1 5 . 1 1 17 17 HIS CB C 17 30.362 30.362 29.846 0.516 25786 1738 1 5 . 1 1 17 17 HIS H H 17 8.395 8.395 8.975 -0.580 25786 1739 1 5 . 1 1 18 18 ALA N N 18 122.047 122.047 121.471 0.576 25786 1740 1 5 . 1 1 18 18 ALA HA H 18 4.182 4.182 4.266 -0.084 25786 1741 1 5 . 1 1 18 18 ALA C C 18 180.003 180.003 177.996 2.007 25786 1742 1 5 . 1 1 18 18 ALA CA C 18 54.294 54.294 53.769 0.525 25786 1743 1 5 . 1 1 18 18 ALA CB C 18 18.849 18.849 17.938 0.911 25786 1744 1 5 . 1 1 18 18 ALA H H 18 8.436 8.436 8.495 -0.059 25786 1745 1 5 . 1 1 19 19 ALA N N 19 122.607 122.607 119.713 2.894 25786 1746 1 5 . 1 1 19 19 ALA HA H 19 4.275 4.275 4.207 0.068 25786 1747 1 5 . 1 1 19 19 ALA C C 19 180.295 180.295 179.010 1.285 25786 1748 1 5 . 1 1 19 19 ALA CA C 19 55.040 55.040 53.898 1.142 25786 1749 1 5 . 1 1 19 19 ALA CB C 19 18.267 18.267 19.156 -0.889 25786 1750 1 5 . 1 1 19 19 ALA H H 19 8.402 8.402 7.940 0.462 25786 1751 1 5 . 1 1 20 20 ASP N N 20 118.796 118.796 119.986 -1.190 25786 1752 1 5 . 1 1 20 20 ASP HA H 20 4.837 4.837 4.602 0.235 25786 1753 1 5 . 1 1 20 20 ASP C C 20 177.313 177.313 177.340 -0.027 25786 1754 1 5 . 1 1 20 20 ASP CA C 20 56.725 56.725 56.109 0.616 25786 1755 1 5 . 1 1 20 20 ASP CB C 20 40.189 40.189 40.950 -0.761 25786 1756 1 5 . 1 1 20 20 ASP H H 20 8.317 8.317 8.322 -0.005 25786 1757 1 5 . 1 1 21 21 TYR N N 21 120.958 120.958 120.816 0.142 25786 1758 1 5 . 1 1 21 21 TYR HA H 21 4.058 4.058 4.283 -0.225 25786 1759 1 5 . 1 1 21 21 TYR C C 21 176.282 176.282 177.124 -0.842 25786 1760 1 5 . 1 1 21 21 TYR CA C 21 61.892 61.892 61.234 0.658 25786 1761 1 5 . 1 1 21 21 TYR CB C 21 38.655 38.655 38.446 0.209 25786 1762 1 5 . 1 1 21 21 TYR H H 21 8.679 8.679 7.716 0.963 25786 1763 1 5 . 1 1 22 22 GLN N N 22 117.715 117.715 118.372 -0.657 25786 1764 1 5 . 1 1 22 22 GLN HA H 22 3.826 3.826 3.865 -0.039 25786 1765 1 5 . 1 1 22 22 GLN C C 22 178.197 178.197 178.061 0.136 25786 1766 1 5 . 1 1 22 22 GLN CA C 22 59.110 59.110 59.704 -0.594 25786 1767 1 5 . 1 1 22 22 GLN CB C 22 27.430 27.430 28.078 -0.648 25786 1768 1 5 . 1 1 22 22 GLN H H 22 8.236 8.236 7.989 0.247 25786 1769 1 5 . 1 1 23 23 GLN N N 23 118.526 118.526 118.419 0.107 25786 1770 1 5 . 1 1 23 23 GLN HA H 23 4.100 4.100 4.023 0.077 25786 1771 1 5 . 1 1 23 23 GLN C C 23 177.521 177.521 178.618 -1.097 25786 1772 1 5 . 1 1 23 23 GLN CA C 23 58.915 58.915 58.812 0.103 25786 1773 1 5 . 1 1 23 23 GLN CB C 23 29.032 29.032 27.953 1.079 25786 1774 1 5 . 1 1 23 23 GLN H H 23 8.003 8.003 7.702 0.301 25786 1775 1 5 . 1 1 24 24 LEU N N 24 121.914 121.914 121.143 0.771 25786 1776 1 5 . 1 1 24 24 LEU HA H 24 3.444 3.444 3.173 0.271 25786 1777 1 5 . 1 1 24 24 LEU C C 24 176.882 176.882 177.930 -1.048 25786 1778 1 5 . 1 1 24 24 LEU CA C 24 58.115 58.115 57.466 0.649 25786 1779 1 5 . 1 1 24 24 LEU CB C 24 41.704 41.704 41.332 0.372 25786 1780 1 5 . 1 1 24 24 LEU H H 24 8.031 8.031 7.628 0.403 25786 1781 1 5 . 1 1 25 25 ARG N N 25 116.645 116.645 118.931 -2.286 25786 1782 1 5 . 1 1 25 25 ARG HA H 25 3.395 3.395 3.461 -0.066 25786 1783 1 5 . 1 1 25 25 ARG C C 25 177.469 177.469 178.262 -0.793 25786 1784 1 5 . 1 1 25 25 ARG CA C 25 60.246 60.246 59.767 0.479 25786 1785 1 5 . 1 1 25 25 ARG CB C 25 29.925 29.925 29.757 0.168 25786 1786 1 5 . 1 1 25 25 ARG H H 25 7.981 7.981 8.087 -0.106 25786 1787 1 5 . 1 1 26 26 GLU N N 26 115.943 115.943 117.468 -1.525 25786 1788 1 5 . 1 1 26 26 GLU HA H 26 3.832 3.832 4.004 -0.172 25786 1789 1 5 . 1 1 26 26 GLU C C 26 179.682 179.682 179.042 0.640 25786 1790 1 5 . 1 1 26 26 GLU CA C 26 59.517 59.517 59.227 0.290 25786 1791 1 5 . 1 1 26 26 GLU CB C 26 29.439 29.439 29.055 0.384 25786 1792 1 5 . 1 1 26 26 GLU H H 26 8.160 8.160 7.984 0.176 25786 1793 1 5 . 1 1 27 27 ARG N N 27 118.766 118.766 119.958 -1.192 25786 1794 1 5 . 1 1 27 27 ARG HA H 27 4.144 4.144 4.205 -0.061 25786 1795 1 5 . 1 1 27 27 ARG C C 27 179.241 179.241 178.638 0.603 25786 1796 1 5 . 1 1 27 27 ARG CA C 27 58.855 58.855 57.627 1.228 25786 1797 1 5 . 1 1 27 27 ARG CB C 27 29.996 29.996 29.927 0.069 25786 1798 1 5 . 1 1 27 27 ARG H H 27 8.283 8.283 7.840 0.443 25786 1799 1 5 . 1 1 28 28 LEU N N 28 122.077 122.077 120.882 1.195 25786 1800 1 5 . 1 1 28 28 LEU HA H 28 4.106 4.106 4.006 0.100 25786 1801 1 5 . 1 1 28 28 LEU C C 28 178.766 178.766 178.808 -0.042 25786 1802 1 5 . 1 1 28 28 LEU CA C 28 58.558 58.558 57.815 0.743 25786 1803 1 5 . 1 1 28 28 LEU CB C 28 42.514 42.514 41.465 1.048 25786 1804 1 5 . 1 1 28 28 LEU H H 28 8.389 8.389 8.034 0.355 25786 1805 1 5 . 1 1 29 29 ILE N N 29 117.586 117.586 119.793 -2.207 25786 1806 1 5 . 1 1 29 29 ILE HA H 29 3.339 3.339 3.520 -0.181 25786 1807 1 5 . 1 1 29 29 ILE C C 29 177.927 177.927 177.934 -0.007 25786 1808 1 5 . 1 1 29 29 ILE CA C 29 66.203 66.203 65.790 0.413 25786 1809 1 5 . 1 1 29 29 ILE CB C 29 37.823 37.823 37.496 0.327 25786 1810 1 5 . 1 1 29 29 ILE H H 29 7.914 7.914 7.743 0.171 25786 1811 1 5 . 1 1 30 30 GLN N N 30 116.395 116.395 116.850 -0.455 25786 1812 1 5 . 1 1 30 30 GLN HA H 30 4.157 4.157 4.116 0.041 25786 1813 1 5 . 1 1 30 30 GLN C C 30 179.400 179.400 178.480 0.920 25786 1814 1 5 . 1 1 30 30 GLN CA C 30 58.410 58.410 57.603 0.807 25786 1815 1 5 . 1 1 30 30 GLN CB C 30 28.804 28.804 28.189 0.615 25786 1816 1 5 . 1 1 30 30 GLN H H 30 7.287 7.287 7.635 -0.348 25786 1817 1 5 . 1 1 31 31 GLU N N 31 120.336 120.336 120.775 -0.439 25786 1818 1 5 . 1 1 31 31 GLU HA H 31 4.023 4.023 4.204 -0.181 25786 1819 1 5 . 1 1 31 31 GLU C C 31 178.395 178.395 178.369 0.026 25786 1820 1 5 . 1 1 31 31 GLU CA C 31 59.377 59.377 58.879 0.498 25786 1821 1 5 . 1 1 31 31 GLU CB C 31 30.436 30.436 29.848 0.588 25786 1822 1 5 . 1 1 31 31 GLU H H 31 8.814 8.814 8.181 0.633 25786 1823 1 5 . 1 1 32 32 LEU N N 32 115.139 115.139 116.274 -1.135 25786 1824 1 5 . 1 1 32 32 LEU HA H 32 4.377 4.377 4.385 -0.008 25786 1825 1 5 . 1 1 32 32 LEU C C 32 176.033 176.033 176.982 -0.949 25786 1826 1 5 . 1 1 32 32 LEU CA C 32 54.101 54.101 55.005 -0.904 25786 1827 1 5 . 1 1 32 32 LEU CB C 32 41.354 41.354 42.098 -0.744 25786 1828 1 5 . 1 1 32 32 LEU H H 32 8.109 8.109 8.273 -0.164 25786 1829 1 5 . 1 1 33 33 ASN N N 33 116.751 116.751 116.021 0.730 25786 1830 1 5 . 1 1 33 33 ASN HA H 33 4.453 4.453 4.363 0.090 25786 1831 1 5 . 1 1 33 33 ASN C C 33 174.288 174.288 174.343 -0.055 25786 1832 1 5 . 1 1 33 33 ASN CA C 33 54.024 54.024 54.217 -0.193 25786 1833 1 5 . 1 1 33 33 ASN CB C 33 36.929 36.929 36.887 0.042 25786 1834 1 5 . 1 1 33 33 ASN H H 33 7.796 7.796 7.708 0.088 25786 1835 1 5 . 1 1 34 34 LEU N N 34 117.139 117.139 117.685 -0.546 25786 1836 1 5 . 1 1 34 34 LEU HA H 34 4.787 4.787 4.703 0.084 25786 1837 1 5 . 1 1 34 34 LEU C C 34 176.521 176.521 175.410 1.111 25786 1838 1 5 . 1 1 34 34 LEU CA C 34 53.079 53.079 53.953 -0.874 25786 1839 1 5 . 1 1 34 34 LEU CB C 34 44.673 44.673 44.740 -0.067 25786 1840 1 5 . 1 1 34 34 LEU H H 34 7.728 7.728 8.636 -0.908 25786 1841 1 5 . 1 1 35 35 THR N N 35 110.751 110.751 106.948 3.803 25786 1842 1 5 . 1 1 35 35 THR HA H 35 4.803 4.803 4.795 0.008 25786 1843 1 5 . 1 1 35 35 THR C C 35 174.438 174.438 173.947 0.491 25786 1844 1 5 . 1 1 35 35 THR CA C 35 59.445 59.445 58.438 1.007 25786 1845 1 5 . 1 1 35 35 THR CB C 35 68.651 68.651 69.494 -0.843 25786 1846 1 5 . 1 1 35 35 THR H H 35 8.001 8.001 8.001 0.000 25786 1847 1 5 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.263 -0.186 25786 1848 1 5 . 1 1 36 36 PRO CA C 36 65.645 65.645 64.723 0.922 25786 1849 1 5 . 1 1 36 36 PRO CB C 36 31.632 31.632 31.656 -0.024 25786 1850 1 5 . 1 1 37 37 GLN N N 37 112.874 112.874 115.401 -2.527 25786 1851 1 5 . 1 1 37 37 GLN HA H 37 4.105 4.105 4.282 -0.177 25786 1852 1 5 . 1 1 37 37 GLN C C 37 176.960 176.960 176.989 -0.029 25786 1853 1 5 . 1 1 37 37 GLN CA C 37 57.891 57.891 56.887 1.004 25786 1854 1 5 . 1 1 37 37 GLN CB C 37 27.902 27.902 29.038 -1.136 25786 1855 1 5 . 1 1 37 37 GLN H H 37 8.005 8.005 7.543 0.462 25786 1856 1 5 . 1 1 38 38 GLN N N 38 116.477 116.477 117.226 -0.749 25786 1857 1 5 . 1 1 38 38 GLN HA H 38 4.187 4.187 4.306 -0.119 25786 1858 1 5 . 1 1 38 38 GLN C C 38 175.508 175.508 177.229 -1.721 25786 1859 1 5 . 1 1 38 38 GLN CA C 38 56.398 56.398 56.380 0.017 25786 1860 1 5 . 1 1 38 38 GLN CB C 38 31.126 31.126 29.876 1.250 25786 1861 1 5 . 1 1 38 38 GLN H H 38 7.663 7.663 7.816 -0.153 25786 1862 1 5 . 1 1 39 39 LEU N N 39 120.726 120.726 121.413 -0.687 25786 1863 1 5 . 1 1 39 39 LEU HA H 39 4.371 4.371 4.404 -0.033 25786 1864 1 5 . 1 1 39 39 LEU C C 39 174.277 174.277 175.600 -1.323 25786 1865 1 5 . 1 1 39 39 LEU CA C 39 53.959 53.959 54.008 -0.049 25786 1866 1 5 . 1 1 39 39 LEU CB C 39 41.610 41.610 41.133 0.477 25786 1867 1 5 . 1 1 39 39 LEU H H 39 7.286 7.286 7.488 -0.202 25786 1868 1 5 . 1 1 40 40 HIS N N 40 124.680 124.680 123.823 0.857 25786 1869 1 5 . 1 1 40 40 HIS HA H 40 4.808 4.808 4.519 0.289 25786 1870 1 5 . 1 1 40 40 HIS C C 40 176.727 176.727 176.548 0.179 25786 1871 1 5 . 1 1 40 40 HIS CA C 40 54.762 54.762 56.628 -1.866 25786 1872 1 5 . 1 1 40 40 HIS CB C 40 31.521 31.521 32.630 -1.109 25786 1873 1 5 . 1 1 40 40 HIS H H 40 8.158 8.158 8.119 0.039 25786 1874 1 5 . 1 1 41 41 GLU HA H 41 4.029 4.029 4.099 -0.070 25786 1875 1 5 . 1 1 42 42 GLU N N 42 113.813 113.813 118.451 -4.638 25786 1876 1 5 . 1 1 42 42 GLU HA H 42 4.547 4.547 4.333 0.214 25786 1877 1 5 . 1 1 42 42 GLU C C 42 176.680 176.680 176.128 0.552 25786 1878 1 5 . 1 1 42 42 GLU CA C 42 55.313 55.313 55.897 -0.584 25786 1879 1 5 . 1 1 42 42 GLU CB C 42 29.165 29.165 28.708 0.457 25786 1880 1 5 . 1 1 42 42 GLU H H 42 8.808 8.808 8.124 0.684 25786 1881 1 5 . 1 1 43 43 SER N N 43 118.066 118.066 116.945 1.121 25786 1882 1 5 . 1 1 43 43 SER HA H 43 4.088 4.088 4.349 -0.261 25786 1883 1 5 . 1 1 43 43 SER C C 43 173.663 173.663 173.554 0.109 25786 1884 1 5 . 1 1 43 43 SER CA C 43 60.156 60.156 59.078 1.078 25786 1885 1 5 . 1 1 43 43 SER CB C 43 62.827 62.827 63.905 -1.078 25786 1886 1 5 . 1 1 43 43 SER H H 43 7.485 7.485 7.660 -0.175 25786 1887 1 5 . 1 1 44 44 ASN N N 44 123.218 123.218 123.436 -0.218 25786 1888 1 5 . 1 1 44 44 ASN HA H 44 4.392 4.392 4.812 -0.420 25786 1889 1 5 . 1 1 44 44 ASN C C 44 176.926 176.926 176.084 0.842 25786 1890 1 5 . 1 1 44 44 ASN CA C 44 53.987 53.987 53.712 0.274 25786 1891 1 5 . 1 1 44 44 ASN CB C 44 38.433 38.433 38.768 -0.335 25786 1892 1 5 . 1 1 44 44 ASN H H 44 8.811 8.811 8.640 0.171 25786 1893 1 5 . 1 1 45 45 LEU N N 45 128.735 128.735 125.633 3.102 25786 1894 1 5 . 1 1 45 45 LEU HA H 45 3.722 3.722 4.031 -0.309 25786 1895 1 5 . 1 1 45 45 LEU C C 45 178.143 178.143 178.651 -0.508 25786 1896 1 5 . 1 1 45 45 LEU CA C 45 57.149 57.149 57.527 -0.378 25786 1897 1 5 . 1 1 45 45 LEU CB C 45 42.250 42.250 41.977 0.273 25786 1898 1 5 . 1 1 45 45 LEU H H 45 9.385 9.385 8.807 0.578 25786 1899 1 5 . 1 1 46 46 ILE N N 46 119.379 119.379 119.571 -0.192 25786 1900 1 5 . 1 1 46 46 ILE HA H 46 4.187 4.187 4.347 -0.160 25786 1901 1 5 . 1 1 46 46 ILE C C 46 180.926 180.926 179.370 1.556 25786 1902 1 5 . 1 1 46 46 ILE CA C 46 63.814 63.814 63.222 0.592 25786 1903 1 5 . 1 1 46 46 ILE CB C 46 36.709 36.709 36.747 -0.038 25786 1904 1 5 . 1 1 46 46 ILE H H 46 7.659 7.659 8.059 -0.400 25786 1905 1 5 . 1 1 47 47 GLN N N 47 121.737 121.737 118.169 3.568 25786 1906 1 5 . 1 1 47 47 GLN HA H 47 3.989 3.989 4.203 -0.214 25786 1907 1 5 . 1 1 47 47 GLN C C 47 177.739 177.739 176.704 1.035 25786 1908 1 5 . 1 1 47 47 GLN CA C 47 58.033 58.033 57.757 0.276 25786 1909 1 5 . 1 1 47 47 GLN CB C 47 27.985 27.985 28.039 -0.054 25786 1910 1 5 . 1 1 47 47 GLN H H 47 8.161 8.161 8.548 -0.387 25786 1911 1 5 . 1 1 48 48 ALA N N 48 117.777 117.777 119.716 -1.939 25786 1912 1 5 . 1 1 48 48 ALA HA H 48 4.260 4.260 4.496 -0.236 25786 1913 1 5 . 1 1 48 48 ALA C C 48 176.582 176.582 177.273 -0.691 25786 1914 1 5 . 1 1 48 48 ALA CA C 48 52.710 52.710 51.824 0.886 25786 1915 1 5 . 1 1 48 48 ALA CB C 48 18.601 18.601 19.683 -1.081 25786 1916 1 5 . 1 1 48 48 ALA H H 48 7.448 7.448 7.633 -0.185 25786 1917 1 5 . 1 1 49 49 GLY N N 49 102.932 102.932 106.226 -3.294 25786 1918 1 5 . 1 1 49 49 GLY C C 49 174.451 174.451 173.824 0.627 25786 1919 1 5 . 1 1 49 49 GLY CA C 49 44.967 44.967 44.829 0.138 25786 1920 1 5 . 1 1 49 49 GLY H H 49 7.445 7.445 7.615 -0.170 25786 1921 1 5 . 1 1 50 50 LEU N N 50 123.058 123.058 124.696 -1.638 25786 1922 1 5 . 1 1 50 50 LEU HA H 50 4.257 4.257 4.755 -0.498 25786 1923 1 5 . 1 1 50 50 LEU C C 50 173.460 173.460 175.592 -2.132 25786 1924 1 5 . 1 1 50 50 LEU CA C 50 55.909 55.909 53.464 2.445 25786 1925 1 5 . 1 1 50 50 LEU CB C 50 41.454 41.454 41.688 -0.234 25786 1926 1 5 . 1 1 50 50 LEU H H 50 8.545 8.545 8.027 0.518 25786 1927 1 5 . 1 1 54 54 ARG N N 54 121.407 121.407 122.304 -0.897 25786 1928 1 5 . 1 1 54 54 ARG HA H 54 4.088 4.088 3.896 0.192 25786 1929 1 5 . 1 1 54 54 ARG C C 54 179.647 179.647 177.920 1.727 25786 1930 1 5 . 1 1 54 54 ARG CA C 54 59.615 59.615 59.364 0.251 25786 1931 1 5 . 1 1 54 54 ARG CB C 54 30.633 30.633 30.811 -0.178 25786 1932 1 5 . 1 1 54 54 ARG H H 54 8.412 8.412 8.964 -0.552 25786 1933 1 5 . 1 1 55 55 LEU N N 55 121.118 121.118 120.954 0.164 25786 1934 1 5 . 1 1 55 55 LEU HA H 55 4.332 4.332 4.442 -0.110 25786 1935 1 5 . 1 1 55 55 LEU C C 55 178.416 178.416 178.536 -0.120 25786 1936 1 5 . 1 1 55 55 LEU CA C 55 59.035 59.035 58.495 0.540 25786 1937 1 5 . 1 1 55 55 LEU CB C 55 41.718 41.718 41.416 0.302 25786 1938 1 5 . 1 1 55 55 LEU H H 55 9.050 9.050 8.485 0.565 25786 1939 1 5 . 1 1 56 56 MET N N 56 117.969 117.969 117.409 0.560 25786 1940 1 5 . 1 1 56 56 MET HA H 56 4.284 4.284 4.083 0.201 25786 1941 1 5 . 1 1 56 56 MET C C 56 178.301 178.301 178.423 -0.122 25786 1942 1 5 . 1 1 56 56 MET CA C 56 57.927 57.927 58.850 -0.923 25786 1943 1 5 . 1 1 56 56 MET CB C 56 31.317 31.317 32.086 -0.769 25786 1944 1 5 . 1 1 56 56 MET H H 56 7.875 7.875 8.286 -0.411 25786 1945 1 5 . 1 1 57 57 ARG N N 57 119.532 119.532 119.097 0.435 25786 1946 1 5 . 1 1 57 57 ARG HA H 57 4.096 4.096 3.964 0.132 25786 1947 1 5 . 1 1 57 57 ARG C C 57 180.458 180.458 178.902 1.556 25786 1948 1 5 . 1 1 57 57 ARG CA C 57 59.770 59.770 59.950 -0.180 25786 1949 1 5 . 1 1 57 57 ARG CB C 57 29.520 29.520 29.866 -0.346 25786 1950 1 5 . 1 1 57 57 ARG H H 57 7.609 7.609 8.111 -0.502 25786 1951 1 5 . 1 1 58 58 TRP N N 58 121.820 121.820 120.263 1.557 25786 1952 1 5 . 1 1 58 58 TRP HA H 58 4.465 4.465 4.445 0.020 25786 1953 1 5 . 1 1 58 58 TRP C C 58 177.973 177.973 178.602 -0.629 25786 1954 1 5 . 1 1 58 58 TRP CA C 58 61.063 61.063 59.553 1.510 25786 1955 1 5 . 1 1 58 58 TRP CB C 58 28.348 28.348 29.554 -1.206 25786 1956 1 5 . 1 1 58 58 TRP H H 58 8.207 8.207 8.151 0.056 25786 1957 1 5 . 1 1 59 59 LEU N N 59 121.654 121.654 121.521 0.133 25786 1958 1 5 . 1 1 59 59 LEU HA H 59 4.274 4.274 4.224 0.050 25786 1959 1 5 . 1 1 59 59 LEU C C 59 178.823 178.823 177.789 1.034 25786 1960 1 5 . 1 1 59 59 LEU CA C 59 59.044 59.044 57.846 1.198 25786 1961 1 5 . 1 1 59 59 LEU CB C 59 40.851 40.851 41.377 -0.525 25786 1962 1 5 . 1 1 59 59 LEU H H 59 8.599 8.599 8.143 0.456 25786 1963 1 5 . 1 1 60 60 HIS N N 60 116.952 116.952 118.665 -1.713 25786 1964 1 5 . 1 1 60 60 HIS HA H 60 4.389 4.389 4.191 0.198 25786 1965 1 5 . 1 1 60 60 HIS C C 60 177.635 177.635 177.222 0.413 25786 1966 1 5 . 1 1 60 60 HIS CA C 60 59.755 59.755 60.342 -0.587 25786 1967 1 5 . 1 1 60 60 HIS CB C 60 30.083 30.083 30.211 -0.128 25786 1968 1 5 . 1 1 60 60 HIS H H 60 7.909 7.909 8.288 -0.379 25786 1969 1 5 . 1 1 61 61 TRP N N 61 123.194 123.194 121.593 1.601 25786 1970 1 5 . 1 1 61 61 TRP HA H 61 4.032 4.032 4.177 -0.145 25786 1971 1 5 . 1 1 61 61 TRP C C 61 179.298 179.298 178.192 1.106 25786 1972 1 5 . 1 1 61 61 TRP CA C 61 62.541 62.541 61.435 1.106 25786 1973 1 5 . 1 1 61 61 TRP CB C 61 28.839 28.839 29.092 -0.253 25786 1974 1 5 . 1 1 61 61 TRP H H 61 8.142 8.142 7.860 0.282 25786 1975 1 5 . 1 1 62 62 PHE N N 62 120.038 120.038 117.695 2.343 25786 1976 1 5 . 1 1 62 62 PHE HA H 62 4.205 4.205 3.722 0.483 25786 1977 1 5 . 1 1 62 62 PHE C C 62 179.080 179.080 178.686 0.394 25786 1978 1 5 . 1 1 62 62 PHE CA C 62 63.629 63.629 62.236 1.393 25786 1979 1 5 . 1 1 62 62 PHE CB C 62 38.664 38.664 38.378 0.286 25786 1980 1 5 . 1 1 62 62 PHE H H 62 9.447 9.447 8.442 1.005 25786 1981 1 5 . 1 1 63 63 ARG N N 63 118.560 118.560 117.979 0.581 25786 1982 1 5 . 1 1 63 63 ARG HA H 63 4.258 4.258 4.287 -0.029 25786 1983 1 5 . 1 1 63 63 ARG C C 63 181.328 181.328 178.338 2.990 25786 1984 1 5 . 1 1 63 63 ARG CA C 63 59.257 59.257 58.642 0.615 25786 1985 1 5 . 1 1 63 63 ARG CB C 63 29.697 29.697 30.251 -0.554 25786 1986 1 5 . 1 1 63 63 ARG H H 63 8.665 8.665 8.592 0.073 25786 1987 1 5 . 1 1 64 64 LYS N N 64 122.759 122.759 117.627 5.132 25786 1988 1 5 . 1 1 64 64 LYS HA H 64 4.019 4.019 4.109 -0.090 25786 1989 1 5 . 1 1 64 64 LYS C C 64 177.595 177.595 177.044 0.551 25786 1990 1 5 . 1 1 64 64 LYS CA C 64 58.651 58.651 57.479 1.172 25786 1991 1 5 . 1 1 64 64 LYS CB C 64 31.510 31.510 32.231 -0.721 25786 1992 1 5 . 1 1 64 64 LYS H H 64 8.690 8.690 7.625 1.065 25786 1993 1 5 . 1 1 65 65 ASN N N 65 115.681 115.681 116.086 -0.405 25786 1994 1 5 . 1 1 65 65 ASN HA H 65 4.532 4.532 4.770 -0.238 25786 1995 1 5 . 1 1 65 65 ASN C C 65 173.405 173.405 174.153 -0.748 25786 1996 1 5 . 1 1 65 65 ASN CA C 65 53.685 53.685 52.009 1.676 25786 1997 1 5 . 1 1 65 65 ASN CB C 65 39.038 39.038 39.054 -0.016 25786 1998 1 5 . 1 1 65 65 ASN H H 65 7.246 7.246 7.600 -0.354 25786 1999 1 5 . 1 1 66 66 GLY N N 66 105.186 105.186 106.293 -1.107 25786 2000 1 5 . 1 1 66 66 GLY C C 66 173.869 173.869 173.030 0.839 25786 2001 1 5 . 1 1 66 66 GLY CA C 66 45.539 45.539 44.964 0.576 25786 2002 1 5 . 1 1 66 66 GLY H H 66 7.603 7.603 7.429 0.174 25786 2003 1 5 . 1 1 67 67 TYR N N 67 119.699 119.699 118.799 0.900 25786 2004 1 5 . 1 1 67 67 TYR HA H 67 4.542 4.542 4.727 -0.185 25786 2005 1 5 . 1 1 67 67 TYR C C 67 175.838 175.838 175.011 0.827 25786 2006 1 5 . 1 1 67 67 TYR CA C 67 57.858 57.858 55.379 2.479 25786 2007 1 5 . 1 1 67 67 TYR CB C 67 38.564 38.564 39.852 -1.288 25786 2008 1 5 . 1 1 67 67 TYR H H 67 8.248 8.248 8.009 0.239 25786 2009 1 5 . 1 1 68 68 ARG N N 68 125.588 125.588 127.836 -2.248 25786 2010 1 5 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.289 0.100 25786 2011 1 5 . 1 1 68 68 ARG C C 68 174.479 174.479 174.759 -0.280 25786 2012 1 5 . 1 1 68 68 ARG CA C 68 55.649 55.649 56.553 -0.904 25786 2013 1 5 . 1 1 68 68 ARG CB C 68 28.357 28.357 28.550 -0.193 25786 2014 1 5 . 1 1 68 68 ARG H H 68 8.550 8.550 8.828 -0.278 25786 2015 1 5 . 1 1 69 69 LEU N N 69 122.034 122.034 125.520 -3.486 25786 2016 1 5 . 1 1 69 69 LEU HA H 69 4.711 4.711 4.746 -0.035 25786 2017 1 5 . 1 1 69 69 LEU C C 69 175.630 175.630 175.896 -0.266 25786 2018 1 5 . 1 1 69 69 LEU CA C 69 53.367 53.367 53.417 -0.050 25786 2019 1 5 . 1 1 69 69 LEU CB C 69 44.286 44.286 45.956 -1.670 25786 2020 1 5 . 1 1 69 69 LEU H H 69 7.421 7.421 8.394 -0.973 25786 2021 1 5 . 1 1 70 70 THR N N 70 109.789 109.789 116.113 -6.324 25786 2022 1 5 . 1 1 70 70 THR HA H 70 4.721 4.721 4.670 0.051 25786 2023 1 5 . 1 1 70 70 THR C C 70 174.636 174.636 174.905 -0.269 25786 2024 1 5 . 1 1 70 70 THR CA C 70 59.377 59.377 61.277 -1.900 25786 2025 1 5 . 1 1 70 70 THR CB C 70 72.180 72.180 70.866 1.314 25786 2026 1 5 . 1 1 70 70 THR H H 70 8.163 8.163 9.184 -1.021 25786 2027 1 5 . 1 1 71 71 LEU N N 71 122.563 122.563 123.955 -1.392 25786 2028 1 5 . 1 1 71 71 LEU HA H 71 3.885 3.885 4.142 -0.257 25786 2029 1 5 . 1 1 71 71 LEU C C 71 178.632 178.632 177.534 1.098 25786 2030 1 5 . 1 1 71 71 LEU CA C 71 58.196 58.196 57.261 0.935 25786 2031 1 5 . 1 1 71 71 LEU CB C 71 41.940 41.940 41.908 0.032 25786 2032 1 5 . 1 1 71 71 LEU H H 71 8.825 8.825 8.610 0.215 25786 2033 1 5 . 1 1 72 72 ARG N N 72 115.949 115.949 118.155 -2.206 25786 2034 1 5 . 1 1 72 72 ARG HA H 72 3.876 3.876 4.291 -0.415 25786 2035 1 5 . 1 1 72 72 ARG C C 72 178.893 178.893 178.491 0.402 25786 2036 1 5 . 1 1 72 72 ARG CA C 72 59.147 59.147 59.875 -0.728 25786 2037 1 5 . 1 1 72 72 ARG CB C 72 29.631 29.631 29.733 -0.102 25786 2038 1 5 . 1 1 72 72 ARG H H 72 8.244 8.244 8.406 -0.162 25786 2039 1 5 . 1 1 73 73 GLU N N 73 117.665 117.665 120.142 -2.477 25786 2040 1 5 . 1 1 73 73 GLU HA H 73 3.951 3.951 4.126 -0.175 25786 2041 1 5 . 1 1 73 73 GLU C C 73 178.762 178.762 178.916 -0.154 25786 2042 1 5 . 1 1 73 73 GLU CA C 73 59.092 59.092 59.517 -0.425 25786 2043 1 5 . 1 1 73 73 GLU CB C 73 29.739 29.739 28.639 1.100 25786 2044 1 5 . 1 1 73 73 GLU H H 73 7.461 7.461 8.082 -0.621 25786 2045 1 5 . 1 1 74 74 LEU N N 74 117.724 117.724 119.727 -2.003 25786 2046 1 5 . 1 1 74 74 LEU HA H 74 3.898 3.898 4.264 -0.366 25786 2047 1 5 . 1 1 74 74 LEU C C 74 179.355 179.355 179.840 -0.485 25786 2048 1 5 . 1 1 74 74 LEU CA C 74 57.469 57.469 57.376 0.093 25786 2049 1 5 . 1 1 74 74 LEU CB C 74 41.619 41.619 41.636 -0.017 25786 2050 1 5 . 1 1 74 74 LEU H H 74 7.413 7.413 7.255 0.158 25786 2051 1 5 . 1 1 75 75 TYR N N 75 114.976 114.976 118.861 -3.885 25786 2052 1 5 . 1 1 75 75 TYR HA H 75 4.054 4.054 4.378 -0.324 25786 2053 1 5 . 1 1 75 75 TYR C C 75 176.656 176.656 177.484 -0.828 25786 2054 1 5 . 1 1 75 75 TYR CA C 75 60.638 60.638 60.695 -0.057 25786 2055 1 5 . 1 1 75 75 TYR CB C 75 39.688 39.688 37.703 1.985 25786 2056 1 5 . 1 1 75 75 TYR H H 75 8.086 8.086 8.191 -0.105 25786 2057 1 5 . 1 1 76 76 ALA N N 76 119.116 119.116 120.823 -1.707 25786 2058 1 5 . 1 1 76 76 ALA HA H 76 4.052 4.052 4.293 -0.241 25786 2059 1 5 . 1 1 76 76 ALA C C 76 178.156 178.156 177.328 0.828 25786 2060 1 5 . 1 1 76 76 ALA CA C 76 54.468 54.468 53.463 1.005 25786 2061 1 5 . 1 1 76 76 ALA CB C 76 18.535 18.535 19.447 -0.912 25786 2062 1 5 . 1 1 76 76 ALA H H 76 7.776 7.776 7.710 0.066 25786 2063 1 5 . 1 1 77 77 ALA N N 77 116.862 116.862 120.467 -3.605 25786 2064 1 5 . 1 1 77 77 ALA C C 77 173.737 173.737 174.501 -0.764 25786 2065 1 5 . 1 1 77 77 ALA CA C 77 49.713 49.713 49.479 0.234 25786 2066 1 5 . 1 1 77 77 ALA CB C 77 19.226 19.226 19.497 -0.271 25786 2067 1 5 . 1 1 77 77 ALA H H 77 6.706 6.706 7.837 -1.131 25786 2068 1 5 . 1 1 78 78 PRO HA H 78 5.018 5.018 4.879 0.139 25786 2069 1 5 . 1 1 78 78 PRO CA C 78 61.523 61.523 62.533 -1.010 25786 2070 1 5 . 1 1 78 78 PRO CB C 78 28.845 28.845 30.538 -1.693 25786 2071 1 5 . 1 1 79 79 THR N N 79 111.947 111.947 112.910 -0.963 25786 2072 1 5 . 1 1 79 79 THR HA H 79 4.396 4.396 4.955 -0.559 25786 2073 1 5 . 1 1 79 79 THR C C 79 173.000 173.000 174.263 -1.263 25786 2074 1 5 . 1 1 79 79 THR CA C 79 58.059 58.059 59.587 -1.528 25786 2075 1 5 . 1 1 79 79 THR CB C 79 72.247 72.247 72.448 -0.201 25786 2076 1 5 . 1 1 79 79 THR H H 79 7.664 7.664 7.192 0.472 25786 2077 1 5 . 1 1 80 80 LEU N N 80 123.227 123.227 122.619 0.608 25786 2078 1 5 . 1 1 80 80 LEU HA H 80 3.747 3.747 4.035 -0.288 25786 2079 1 5 . 1 1 80 80 LEU C C 80 179.028 179.028 178.066 0.962 25786 2080 1 5 . 1 1 80 80 LEU CA C 80 58.209 58.209 57.676 0.533 25786 2081 1 5 . 1 1 80 80 LEU CB C 80 41.579 41.579 41.841 -0.262 25786 2082 1 5 . 1 1 80 80 LEU H H 80 9.609 9.609 8.360 1.249 25786 2083 1 5 . 1 1 81 81 ALA N N 81 119.663 119.663 121.898 -2.235 25786 2084 1 5 . 1 1 81 81 ALA HA H 81 4.141 4.141 3.925 0.216 25786 2085 1 5 . 1 1 81 81 ALA C C 81 181.038 181.038 179.257 1.781 25786 2086 1 5 . 1 1 81 81 ALA CA C 81 54.876 54.876 55.257 -0.381 25786 2087 1 5 . 1 1 81 81 ALA CB C 81 18.428 18.428 18.014 0.414 25786 2088 1 5 . 1 1 81 81 ALA H H 81 8.831 8.831 8.241 0.590 25786 2089 1 5 . 1 1 82 82 ALA N N 82 122.181 122.181 120.366 1.815 25786 2090 1 5 . 1 1 82 82 ALA HA H 82 4.225 4.225 4.222 0.003 25786 2091 1 5 . 1 1 82 82 ALA C C 82 181.868 181.868 179.703 2.165 25786 2092 1 5 . 1 1 82 82 ALA CA C 82 54.808 54.808 54.755 0.053 25786 2093 1 5 . 1 1 82 82 ALA CB C 82 19.088 19.088 18.406 0.682 25786 2094 1 5 . 1 1 82 82 ALA H H 82 8.272 8.272 7.623 0.649 25786 2095 1 5 . 1 1 83 83 TRP N N 83 123.399 123.399 119.551 3.848 25786 2096 1 5 . 1 1 83 83 TRP HA H 83 4.543 4.543 4.319 0.224 25786 2097 1 5 . 1 1 83 83 TRP C C 83 178.633 178.633 178.650 -0.017 25786 2098 1 5 . 1 1 83 83 TRP CA C 83 59.562 59.562 58.845 0.717 25786 2099 1 5 . 1 1 83 83 TRP CB C 83 28.301 28.301 28.528 -0.227 25786 2100 1 5 . 1 1 83 83 TRP H H 83 9.378 9.378 7.589 1.789 25786 2101 1 5 . 1 1 84 84 ASN N N 84 118.250 118.250 118.004 0.246 25786 2102 1 5 . 1 1 84 84 ASN HA H 84 4.616 4.616 4.263 0.353 25786 2103 1 5 . 1 1 84 84 ASN C C 84 177.231 177.231 177.507 -0.276 25786 2104 1 5 . 1 1 84 84 ASN CA C 84 57.096 57.096 56.589 0.507 25786 2105 1 5 . 1 1 84 84 ASN CB C 84 39.229 39.229 37.883 1.346 25786 2106 1 5 . 1 1 84 84 ASN H H 84 9.136 9.136 8.800 0.336 25786 2107 1 5 . 1 1 85 85 GLN N N 85 116.261 116.261 119.805 -3.544 25786 2108 1 5 . 1 1 85 85 GLN HA H 85 4.011 4.011 4.057 -0.046 25786 2109 1 5 . 1 1 85 85 GLN C C 85 179.455 179.455 178.374 1.081 25786 2110 1 5 . 1 1 85 85 GLN CA C 85 58.748 58.748 58.563 0.185 25786 2111 1 5 . 1 1 85 85 GLN CB C 85 27.840 27.840 28.283 -0.443 25786 2112 1 5 . 1 1 85 85 GLN H H 85 7.511 7.511 7.534 -0.023 25786 2113 1 5 . 1 1 86 86 LEU N N 86 121.554 121.554 119.330 2.224 25786 2114 1 5 . 1 1 86 86 LEU HA H 86 4.041 4.041 3.954 0.087 25786 2115 1 5 . 1 1 86 86 LEU C C 86 179.171 179.171 179.378 -0.207 25786 2116 1 5 . 1 1 86 86 LEU CA C 86 57.804 57.804 57.840 -0.036 25786 2117 1 5 . 1 1 86 86 LEU CB C 86 41.915 41.915 41.530 0.385 25786 2118 1 5 . 1 1 86 86 LEU H H 86 8.172 8.172 8.352 -0.180 25786 2119 1 5 . 1 1 87 87 MET N N 87 117.874 117.874 117.197 0.677 25786 2120 1 5 . 1 1 87 87 MET HA H 87 3.752 3.752 4.327 -0.575 25786 2121 1 5 . 1 1 87 87 MET C C 87 178.221 178.221 178.715 -0.494 25786 2122 1 5 . 1 1 87 87 MET CA C 87 59.481 59.481 59.173 0.308 25786 2123 1 5 . 1 1 87 87 MET CB C 87 34.875 34.875 32.822 2.053 25786 2124 1 5 . 1 1 87 87 MET H H 87 8.197 8.197 8.004 0.193 25786 2125 1 5 . 1 1 88 88 LEU N N 88 117.598 117.598 122.617 -5.019 25786 2126 1 5 . 1 1 88 88 LEU HA H 88 4.054 4.054 4.145 -0.091 25786 2127 1 5 . 1 1 88 88 LEU C C 88 179.237 179.237 178.351 0.886 25786 2128 1 5 . 1 1 88 88 LEU CA C 88 57.076 57.076 58.493 -1.417 25786 2129 1 5 . 1 1 88 88 LEU CB C 88 42.395 42.395 41.629 0.766 25786 2130 1 5 . 1 1 88 88 LEU H H 88 7.902 7.902 8.413 -0.511 25786 2131 1 5 . 1 1 89 89 SER N N 89 113.195 113.195 113.729 -0.534 25786 2132 1 5 . 1 1 89 89 SER HA H 89 4.038 4.038 4.187 -0.149 25786 2133 1 5 . 1 1 89 89 SER C C 89 175.090 175.090 176.267 -1.177 25786 2134 1 5 . 1 1 89 89 SER CA C 89 59.901 59.901 61.506 -1.605 25786 2135 1 5 . 1 1 89 89 SER CB C 89 63.834 63.834 63.065 0.769 25786 2136 1 5 . 1 1 89 89 SER H H 89 7.958 7.958 8.411 -0.453 25786 2137 1 5 . 1 1 90 90 ARG N N 90 122.031 122.031 119.574 2.457 25786 2138 1 5 . 1 1 90 90 ARG HA H 90 4.701 4.701 4.452 0.249 25786 2139 1 5 . 1 1 90 90 ARG C C 90 175.695 175.695 177.226 -1.531 25786 2140 1 5 . 1 1 90 90 ARG CA C 90 53.905 53.905 57.251 -3.346 25786 2141 1 5 . 1 1 90 90 ARG CB C 90 29.631 29.631 30.986 -1.355 25786 2142 1 5 . 1 1 90 90 ARG H H 90 7.923 7.923 7.815 0.108 25786 2143 1 5 . 1 1 91 91 SER N N 91 117.191 117.191 112.243 4.948 25786 2144 1 5 . 1 1 91 91 SER C C 91 172.914 172.914 171.419 1.495 25786 2145 1 5 . 1 1 91 91 SER CA C 91 57.104 57.104 59.437 -2.333 25786 2146 1 5 . 1 1 91 91 SER CB C 91 63.437 63.437 61.144 2.293 25786 2147 1 5 . 1 1 91 91 SER H H 91 7.752 7.752 8.421 -0.669 25786 2148 1 5 . 1 1 92 92 PRO HA H 92 4.420 4.420 4.000 0.420 25786 2149 1 5 . 1 1 92 92 PRO CA C 92 63.414 63.414 62.657 0.757 25786 2150 1 5 . 1 1 92 92 PRO CB C 92 31.895 31.895 31.994 -0.099 25786 2151 1 6 . 1 1 15 15 ASN N N 15 119.857 119.857 117.272 2.585 25786 2152 1 6 . 1 1 15 15 ASN HA H 15 4.719 4.719 4.420 0.299 25786 2153 1 6 . 1 1 15 15 ASN C C 15 175.735 175.735 174.821 0.914 25786 2154 1 6 . 1 1 15 15 ASN CA C 15 53.556 53.556 55.549 -1.993 25786 2155 1 6 . 1 1 15 15 ASN CB C 15 38.731 38.731 38.166 0.565 25786 2156 1 6 . 1 1 15 15 ASN H H 15 8.425 8.425 8.649 -0.224 25786 2157 1 6 . 1 1 16 16 ARG N N 16 122.030 122.030 118.701 3.329 25786 2158 1 6 . 1 1 16 16 ARG HA H 16 4.211 4.211 4.834 -0.623 25786 2159 1 6 . 1 1 16 16 ARG C C 16 176.669 176.669 177.671 -1.002 25786 2160 1 6 . 1 1 16 16 ARG CA C 16 57.735 57.735 55.092 2.643 25786 2161 1 6 . 1 1 16 16 ARG CB C 16 30.224 30.224 31.543 -1.319 25786 2162 1 6 . 1 1 16 16 ARG H H 16 8.347 8.347 8.180 0.167 25786 2163 1 6 . 1 1 17 17 HIS N N 17 118.590 118.590 120.605 -2.015 25786 2164 1 6 . 1 1 17 17 HIS HA H 17 4.563 4.563 4.431 0.132 25786 2165 1 6 . 1 1 17 17 HIS C C 17 176.284 176.284 177.205 -0.921 25786 2166 1 6 . 1 1 17 17 HIS CA C 17 58.394 58.394 58.910 -0.516 25786 2167 1 6 . 1 1 17 17 HIS CB C 17 30.362 30.362 29.898 0.464 25786 2168 1 6 . 1 1 17 17 HIS H H 17 8.395 8.395 8.724 -0.329 25786 2169 1 6 . 1 1 18 18 ALA N N 18 122.047 122.047 122.371 -0.324 25786 2170 1 6 . 1 1 18 18 ALA HA H 18 4.182 4.182 4.225 -0.043 25786 2171 1 6 . 1 1 18 18 ALA C C 18 180.003 180.003 179.116 0.887 25786 2172 1 6 . 1 1 18 18 ALA CA C 18 54.294 54.294 54.302 -0.008 25786 2173 1 6 . 1 1 18 18 ALA CB C 18 18.849 18.849 17.875 0.974 25786 2174 1 6 . 1 1 18 18 ALA H H 18 8.436 8.436 8.412 0.024 25786 2175 1 6 . 1 1 19 19 ALA N N 19 122.607 122.607 121.332 1.275 25786 2176 1 6 . 1 1 19 19 ALA HA H 19 4.275 4.275 4.247 0.028 25786 2177 1 6 . 1 1 19 19 ALA C C 19 180.295 180.295 179.105 1.190 25786 2178 1 6 . 1 1 19 19 ALA CA C 19 55.040 55.040 54.389 0.651 25786 2179 1 6 . 1 1 19 19 ALA CB C 19 18.267 18.267 18.560 -0.293 25786 2180 1 6 . 1 1 19 19 ALA H H 19 8.402 8.402 8.517 -0.115 25786 2181 1 6 . 1 1 20 20 ASP N N 20 118.796 118.796 119.530 -0.734 25786 2182 1 6 . 1 1 20 20 ASP HA H 20 4.837 4.837 4.549 0.288 25786 2183 1 6 . 1 1 20 20 ASP C C 20 177.313 177.313 177.361 -0.048 25786 2184 1 6 . 1 1 20 20 ASP CA C 20 56.725 56.725 56.425 0.299 25786 2185 1 6 . 1 1 20 20 ASP CB C 20 40.189 40.189 40.845 -0.656 25786 2186 1 6 . 1 1 20 20 ASP H H 20 8.317 8.317 8.508 -0.191 25786 2187 1 6 . 1 1 21 21 TYR N N 21 120.958 120.958 119.309 1.649 25786 2188 1 6 . 1 1 21 21 TYR HA H 21 4.058 4.058 4.428 -0.370 25786 2189 1 6 . 1 1 21 21 TYR C C 21 176.282 176.282 177.345 -1.063 25786 2190 1 6 . 1 1 21 21 TYR CA C 21 61.892 61.892 60.188 1.704 25786 2191 1 6 . 1 1 21 21 TYR CB C 21 38.655 38.655 37.960 0.695 25786 2192 1 6 . 1 1 21 21 TYR H H 21 8.679 8.679 7.820 0.859 25786 2193 1 6 . 1 1 22 22 GLN N N 22 117.715 117.715 119.104 -1.389 25786 2194 1 6 . 1 1 22 22 GLN HA H 22 3.826 3.826 3.339 0.487 25786 2195 1 6 . 1 1 22 22 GLN C C 22 178.197 178.197 177.782 0.415 25786 2196 1 6 . 1 1 22 22 GLN CA C 22 59.110 59.110 59.100 0.010 25786 2197 1 6 . 1 1 22 22 GLN CB C 22 27.430 27.430 27.919 -0.489 25786 2198 1 6 . 1 1 22 22 GLN H H 22 8.236 8.236 7.714 0.522 25786 2199 1 6 . 1 1 23 23 GLN N N 23 118.526 118.526 117.911 0.615 25786 2200 1 6 . 1 1 23 23 GLN HA H 23 4.100 4.100 4.001 0.099 25786 2201 1 6 . 1 1 23 23 GLN C C 23 177.521 177.521 178.586 -1.065 25786 2202 1 6 . 1 1 23 23 GLN CA C 23 58.915 58.915 58.174 0.741 25786 2203 1 6 . 1 1 23 23 GLN CB C 23 29.032 29.032 28.203 0.828 25786 2204 1 6 . 1 1 23 23 GLN H H 23 8.003 8.003 7.651 0.352 25786 2205 1 6 . 1 1 24 24 LEU N N 24 121.914 121.914 121.338 0.576 25786 2206 1 6 . 1 1 24 24 LEU HA H 24 3.444 3.444 3.271 0.173 25786 2207 1 6 . 1 1 24 24 LEU C C 24 176.882 176.882 178.202 -1.320 25786 2208 1 6 . 1 1 24 24 LEU CA C 24 58.115 58.115 57.374 0.741 25786 2209 1 6 . 1 1 24 24 LEU CB C 24 41.704 41.704 41.407 0.297 25786 2210 1 6 . 1 1 24 24 LEU H H 24 8.031 8.031 7.565 0.466 25786 2211 1 6 . 1 1 25 25 ARG N N 25 116.645 116.645 118.945 -2.300 25786 2212 1 6 . 1 1 25 25 ARG HA H 25 3.395 3.395 3.706 -0.311 25786 2213 1 6 . 1 1 25 25 ARG C C 25 177.469 177.469 178.176 -0.707 25786 2214 1 6 . 1 1 25 25 ARG CA C 25 60.246 60.246 59.824 0.422 25786 2215 1 6 . 1 1 25 25 ARG CB C 25 29.925 29.925 29.806 0.119 25786 2216 1 6 . 1 1 25 25 ARG H H 25 7.981 7.981 8.139 -0.158 25786 2217 1 6 . 1 1 26 26 GLU N N 26 115.943 115.943 117.835 -1.892 25786 2218 1 6 . 1 1 26 26 GLU HA H 26 3.832 3.832 3.992 -0.160 25786 2219 1 6 . 1 1 26 26 GLU C C 26 179.682 179.682 178.852 0.830 25786 2220 1 6 . 1 1 26 26 GLU CA C 26 59.517 59.517 59.449 0.068 25786 2221 1 6 . 1 1 26 26 GLU CB C 26 29.439 29.439 29.134 0.305 25786 2222 1 6 . 1 1 26 26 GLU H H 26 8.160 8.160 8.057 0.103 25786 2223 1 6 . 1 1 27 27 ARG N N 27 118.766 118.766 120.250 -1.484 25786 2224 1 6 . 1 1 27 27 ARG HA H 27 4.144 4.144 4.179 -0.035 25786 2225 1 6 . 1 1 27 27 ARG C C 27 179.241 179.241 178.414 0.827 25786 2226 1 6 . 1 1 27 27 ARG CA C 27 58.855 58.855 58.971 -0.116 25786 2227 1 6 . 1 1 27 27 ARG CB C 27 29.996 29.996 30.181 -0.185 25786 2228 1 6 . 1 1 27 27 ARG H H 27 8.283 8.283 7.485 0.798 25786 2229 1 6 . 1 1 28 28 LEU N N 28 122.077 122.077 121.066 1.011 25786 2230 1 6 . 1 1 28 28 LEU HA H 28 4.106 4.106 4.003 0.103 25786 2231 1 6 . 1 1 28 28 LEU C C 28 178.766 178.766 179.087 -0.321 25786 2232 1 6 . 1 1 28 28 LEU CA C 28 58.558 58.558 58.041 0.517 25786 2233 1 6 . 1 1 28 28 LEU CB C 28 42.514 42.514 41.652 0.862 25786 2234 1 6 . 1 1 28 28 LEU H H 28 8.389 8.389 8.075 0.314 25786 2235 1 6 . 1 1 29 29 ILE N N 29 117.586 117.586 119.122 -1.536 25786 2236 1 6 . 1 1 29 29 ILE HA H 29 3.339 3.339 3.524 -0.185 25786 2237 1 6 . 1 1 29 29 ILE C C 29 177.927 177.927 177.847 0.080 25786 2238 1 6 . 1 1 29 29 ILE CA C 29 66.203 66.203 65.880 0.323 25786 2239 1 6 . 1 1 29 29 ILE CB C 29 37.823 37.823 37.531 0.292 25786 2240 1 6 . 1 1 29 29 ILE H H 29 7.914 7.914 8.417 -0.503 25786 2241 1 6 . 1 1 30 30 GLN N N 30 116.395 116.395 117.828 -1.433 25786 2242 1 6 . 1 1 30 30 GLN HA H 30 4.157 4.157 4.072 0.085 25786 2243 1 6 . 1 1 30 30 GLN C C 30 179.400 179.400 178.963 0.437 25786 2244 1 6 . 1 1 30 30 GLN CA C 30 58.410 58.410 57.822 0.589 25786 2245 1 6 . 1 1 30 30 GLN CB C 30 28.804 28.804 28.210 0.594 25786 2246 1 6 . 1 1 30 30 GLN H H 30 7.287 7.287 7.672 -0.385 25786 2247 1 6 . 1 1 31 31 GLU N N 31 120.336 120.336 120.733 -0.397 25786 2248 1 6 . 1 1 31 31 GLU HA H 31 4.023 4.023 4.116 -0.093 25786 2249 1 6 . 1 1 31 31 GLU C C 31 178.395 178.395 178.106 0.289 25786 2250 1 6 . 1 1 31 31 GLU CA C 31 59.377 59.377 58.709 0.668 25786 2251 1 6 . 1 1 31 31 GLU CB C 31 30.436 30.436 29.519 0.917 25786 2252 1 6 . 1 1 31 31 GLU H H 31 8.814 8.814 8.414 0.400 25786 2253 1 6 . 1 1 32 32 LEU N N 32 115.139 115.139 114.713 0.426 25786 2254 1 6 . 1 1 32 32 LEU HA H 32 4.377 4.377 4.352 0.025 25786 2255 1 6 . 1 1 32 32 LEU C C 32 176.033 176.033 176.658 -0.625 25786 2256 1 6 . 1 1 32 32 LEU CA C 32 54.101 54.101 54.706 -0.605 25786 2257 1 6 . 1 1 32 32 LEU CB C 32 41.354 41.354 42.105 -0.751 25786 2258 1 6 . 1 1 32 32 LEU H H 32 8.109 8.109 7.893 0.216 25786 2259 1 6 . 1 1 33 33 ASN N N 33 116.751 116.751 113.900 2.851 25786 2260 1 6 . 1 1 33 33 ASN HA H 33 4.453 4.453 4.436 0.017 25786 2261 1 6 . 1 1 33 33 ASN C C 33 174.288 174.288 174.696 -0.408 25786 2262 1 6 . 1 1 33 33 ASN CA C 33 54.024 54.024 54.004 0.020 25786 2263 1 6 . 1 1 33 33 ASN CB C 33 36.929 36.929 37.249 -0.320 25786 2264 1 6 . 1 1 33 33 ASN H H 33 7.796 7.796 7.796 -0.000 25786 2265 1 6 . 1 1 34 34 LEU N N 34 117.139 117.139 118.059 -0.920 25786 2266 1 6 . 1 1 34 34 LEU HA H 34 4.787 4.787 4.702 0.085 25786 2267 1 6 . 1 1 34 34 LEU C C 34 176.521 176.521 175.544 0.977 25786 2268 1 6 . 1 1 34 34 LEU CA C 34 53.079 53.079 53.402 -0.323 25786 2269 1 6 . 1 1 34 34 LEU CB C 34 44.673 44.673 44.685 -0.012 25786 2270 1 6 . 1 1 34 34 LEU H H 34 7.728 7.728 8.427 -0.699 25786 2271 1 6 . 1 1 35 35 THR N N 35 110.751 110.751 106.743 4.008 25786 2272 1 6 . 1 1 35 35 THR HA H 35 4.803 4.803 4.902 -0.099 25786 2273 1 6 . 1 1 35 35 THR C C 35 174.438 174.438 173.902 0.536 25786 2274 1 6 . 1 1 35 35 THR CA C 35 59.445 59.445 57.797 1.648 25786 2275 1 6 . 1 1 35 35 THR CB C 35 68.651 68.651 69.938 -1.287 25786 2276 1 6 . 1 1 35 35 THR H H 35 8.001 8.001 8.017 -0.016 25786 2277 1 6 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.215 -0.138 25786 2278 1 6 . 1 1 36 36 PRO CA C 36 65.645 65.645 65.375 0.270 25786 2279 1 6 . 1 1 36 36 PRO CB C 36 31.632 31.632 32.057 -0.425 25786 2280 1 6 . 1 1 37 37 GLN N N 37 112.874 112.874 115.270 -2.396 25786 2281 1 6 . 1 1 37 37 GLN HA H 37 4.105 4.105 4.245 -0.140 25786 2282 1 6 . 1 1 37 37 GLN C C 37 176.960 176.960 177.148 -0.188 25786 2283 1 6 . 1 1 37 37 GLN CA C 37 57.891 57.891 57.212 0.678 25786 2284 1 6 . 1 1 37 37 GLN CB C 37 27.902 27.902 28.675 -0.773 25786 2285 1 6 . 1 1 37 37 GLN H H 37 8.005 8.005 8.225 -0.220 25786 2286 1 6 . 1 1 38 38 GLN N N 38 116.477 116.477 118.206 -1.729 25786 2287 1 6 . 1 1 38 38 GLN HA H 38 4.187 4.187 4.307 -0.120 25786 2288 1 6 . 1 1 38 38 GLN C C 38 175.508 175.508 177.056 -1.548 25786 2289 1 6 . 1 1 38 38 GLN CA C 38 56.398 56.398 57.041 -0.643 25786 2290 1 6 . 1 1 38 38 GLN CB C 38 31.126 31.126 30.074 1.052 25786 2291 1 6 . 1 1 38 38 GLN H H 38 7.663 7.663 7.575 0.088 25786 2292 1 6 . 1 1 39 39 LEU N N 39 120.726 120.726 122.299 -1.573 25786 2293 1 6 . 1 1 39 39 LEU HA H 39 4.371 4.371 4.638 -0.267 25786 2294 1 6 . 1 1 39 39 LEU C C 39 174.277 174.277 175.317 -1.040 25786 2295 1 6 . 1 1 39 39 LEU CA C 39 53.959 53.959 53.448 0.511 25786 2296 1 6 . 1 1 39 39 LEU CB C 39 41.610 41.610 40.432 1.178 25786 2297 1 6 . 1 1 39 39 LEU H H 39 7.286 7.286 8.029 -0.743 25786 2298 1 6 . 1 1 40 40 HIS N N 40 124.680 124.680 119.684 4.996 25786 2299 1 6 . 1 1 40 40 HIS HA H 40 4.808 4.808 4.756 0.052 25786 2300 1 6 . 1 1 40 40 HIS C C 40 176.727 176.727 176.227 0.500 25786 2301 1 6 . 1 1 40 40 HIS CA C 40 54.762 54.762 54.437 0.325 25786 2302 1 6 . 1 1 40 40 HIS CB C 40 31.521 31.521 31.292 0.229 25786 2303 1 6 . 1 1 40 40 HIS H H 40 8.158 8.158 7.681 0.477 25786 2304 1 6 . 1 1 41 41 GLU HA H 41 4.029 4.029 4.022 0.007 25786 2305 1 6 . 1 1 42 42 GLU N N 42 113.813 113.813 119.241 -5.428 25786 2306 1 6 . 1 1 42 42 GLU HA H 42 4.547 4.547 4.156 0.391 25786 2307 1 6 . 1 1 42 42 GLU C C 42 176.680 176.680 176.180 0.500 25786 2308 1 6 . 1 1 42 42 GLU CA C 42 55.313 55.313 56.301 -0.988 25786 2309 1 6 . 1 1 42 42 GLU CB C 42 29.165 29.165 28.886 0.279 25786 2310 1 6 . 1 1 42 42 GLU H H 42 8.808 8.808 8.233 0.575 25786 2311 1 6 . 1 1 43 43 SER N N 43 118.066 118.066 116.874 1.192 25786 2312 1 6 . 1 1 43 43 SER HA H 43 4.088 4.088 3.995 0.093 25786 2313 1 6 . 1 1 43 43 SER C C 43 173.663 173.663 173.676 -0.013 25786 2314 1 6 . 1 1 43 43 SER CA C 43 60.156 60.156 59.213 0.943 25786 2315 1 6 . 1 1 43 43 SER CB C 43 62.827 62.827 63.421 -0.594 25786 2316 1 6 . 1 1 43 43 SER H H 43 7.485 7.485 6.994 0.491 25786 2317 1 6 . 1 1 44 44 ASN N N 44 123.218 123.218 122.016 1.202 25786 2318 1 6 . 1 1 44 44 ASN HA H 44 4.392 4.392 4.869 -0.477 25786 2319 1 6 . 1 1 44 44 ASN C C 44 176.926 176.926 176.486 0.440 25786 2320 1 6 . 1 1 44 44 ASN CA C 44 53.987 53.987 53.301 0.686 25786 2321 1 6 . 1 1 44 44 ASN CB C 44 38.433 38.433 38.654 -0.221 25786 2322 1 6 . 1 1 44 44 ASN H H 44 8.811 8.811 8.397 0.414 25786 2323 1 6 . 1 1 45 45 LEU N N 45 128.735 128.735 125.724 3.011 25786 2324 1 6 . 1 1 45 45 LEU HA H 45 3.722 3.722 3.961 -0.239 25786 2325 1 6 . 1 1 45 45 LEU C C 45 178.143 178.143 178.517 -0.374 25786 2326 1 6 . 1 1 45 45 LEU CA C 45 57.149 57.149 57.055 0.094 25786 2327 1 6 . 1 1 45 45 LEU CB C 45 42.250 42.250 41.872 0.378 25786 2328 1 6 . 1 1 45 45 LEU H H 45 9.385 9.385 8.480 0.905 25786 2329 1 6 . 1 1 46 46 ILE N N 46 119.379 119.379 118.371 1.008 25786 2330 1 6 . 1 1 46 46 ILE HA H 46 4.187 4.187 4.217 -0.030 25786 2331 1 6 . 1 1 46 46 ILE C C 46 180.926 180.926 178.879 2.047 25786 2332 1 6 . 1 1 46 46 ILE CA C 46 63.814 63.814 64.381 -0.567 25786 2333 1 6 . 1 1 46 46 ILE CB C 46 36.709 36.709 37.883 -1.174 25786 2334 1 6 . 1 1 46 46 ILE H H 46 7.659 7.659 8.118 -0.459 25786 2335 1 6 . 1 1 47 47 GLN N N 47 121.737 121.737 118.772 2.965 25786 2336 1 6 . 1 1 47 47 GLN HA H 47 3.989 3.989 4.192 -0.203 25786 2337 1 6 . 1 1 47 47 GLN C C 47 177.739 177.739 176.136 1.603 25786 2338 1 6 . 1 1 47 47 GLN CA C 47 58.033 58.033 57.646 0.387 25786 2339 1 6 . 1 1 47 47 GLN CB C 47 27.985 27.985 28.668 -0.682 25786 2340 1 6 . 1 1 47 47 GLN H H 47 8.161 8.161 8.090 0.071 25786 2341 1 6 . 1 1 48 48 ALA N N 48 117.777 117.777 120.084 -2.307 25786 2342 1 6 . 1 1 48 48 ALA HA H 48 4.260 4.260 4.506 -0.246 25786 2343 1 6 . 1 1 48 48 ALA C C 48 176.582 176.582 176.873 -0.291 25786 2344 1 6 . 1 1 48 48 ALA CA C 48 52.710 52.710 51.417 1.293 25786 2345 1 6 . 1 1 48 48 ALA CB C 48 18.601 18.601 19.759 -1.158 25786 2346 1 6 . 1 1 48 48 ALA H H 48 7.448 7.448 7.463 -0.015 25786 2347 1 6 . 1 1 49 49 GLY N N 49 102.932 102.932 105.449 -2.517 25786 2348 1 6 . 1 1 49 49 GLY C C 49 174.451 174.451 173.988 0.463 25786 2349 1 6 . 1 1 49 49 GLY CA C 49 44.967 44.967 44.795 0.172 25786 2350 1 6 . 1 1 49 49 GLY H H 49 7.445 7.445 7.505 -0.060 25786 2351 1 6 . 1 1 50 50 LEU N N 50 123.058 123.058 124.224 -1.166 25786 2352 1 6 . 1 1 50 50 LEU HA H 50 4.257 4.257 4.642 -0.385 25786 2353 1 6 . 1 1 50 50 LEU C C 50 173.460 173.460 176.189 -2.729 25786 2354 1 6 . 1 1 50 50 LEU CA C 50 55.909 55.909 53.970 1.939 25786 2355 1 6 . 1 1 50 50 LEU CB C 50 41.454 41.454 42.889 -1.435 25786 2356 1 6 . 1 1 50 50 LEU H H 50 8.545 8.545 7.993 0.552 25786 2357 1 6 . 1 1 54 54 ARG N N 54 121.407 121.407 121.624 -0.217 25786 2358 1 6 . 1 1 54 54 ARG HA H 54 4.088 4.088 3.932 0.156 25786 2359 1 6 . 1 1 54 54 ARG C C 54 179.647 179.647 178.160 1.487 25786 2360 1 6 . 1 1 54 54 ARG CA C 54 59.615 59.615 59.365 0.250 25786 2361 1 6 . 1 1 54 54 ARG CB C 54 30.633 30.633 30.746 -0.113 25786 2362 1 6 . 1 1 54 54 ARG H H 54 8.412 8.412 8.862 -0.450 25786 2363 1 6 . 1 1 55 55 LEU N N 55 121.118 121.118 120.601 0.517 25786 2364 1 6 . 1 1 55 55 LEU HA H 55 4.332 4.332 4.509 -0.177 25786 2365 1 6 . 1 1 55 55 LEU C C 55 178.416 178.416 178.433 -0.017 25786 2366 1 6 . 1 1 55 55 LEU CA C 55 59.035 59.035 58.288 0.747 25786 2367 1 6 . 1 1 55 55 LEU CB C 55 41.718 41.718 42.294 -0.576 25786 2368 1 6 . 1 1 55 55 LEU H H 55 9.050 9.050 8.279 0.771 25786 2369 1 6 . 1 1 56 56 MET N N 56 117.969 117.969 117.595 0.374 25786 2370 1 6 . 1 1 56 56 MET HA H 56 4.284 4.284 4.179 0.105 25786 2371 1 6 . 1 1 56 56 MET C C 56 178.301 178.301 178.586 -0.285 25786 2372 1 6 . 1 1 56 56 MET CA C 56 57.927 57.927 58.578 -0.651 25786 2373 1 6 . 1 1 56 56 MET CB C 56 31.317 31.317 32.228 -0.911 25786 2374 1 6 . 1 1 56 56 MET H H 56 7.875 7.875 8.317 -0.442 25786 2375 1 6 . 1 1 57 57 ARG N N 57 119.532 119.532 120.035 -0.503 25786 2376 1 6 . 1 1 57 57 ARG HA H 57 4.096 4.096 4.404 -0.308 25786 2377 1 6 . 1 1 57 57 ARG C C 57 180.458 180.458 178.028 2.430 25786 2378 1 6 . 1 1 57 57 ARG CA C 57 59.770 59.770 58.728 1.042 25786 2379 1 6 . 1 1 57 57 ARG CB C 57 29.520 29.520 29.196 0.324 25786 2380 1 6 . 1 1 57 57 ARG H H 57 7.609 7.609 8.097 -0.488 25786 2381 1 6 . 1 1 58 58 TRP N N 58 121.820 121.820 119.094 2.726 25786 2382 1 6 . 1 1 58 58 TRP HA H 58 4.465 4.465 4.490 -0.025 25786 2383 1 6 . 1 1 58 58 TRP C C 58 177.973 177.973 178.279 -0.306 25786 2384 1 6 . 1 1 58 58 TRP CA C 58 61.063 61.063 58.922 2.140 25786 2385 1 6 . 1 1 58 58 TRP CB C 58 28.348 28.348 29.574 -1.226 25786 2386 1 6 . 1 1 58 58 TRP H H 58 8.207 8.207 7.484 0.723 25786 2387 1 6 . 1 1 59 59 LEU N N 59 121.654 121.654 121.670 -0.016 25786 2388 1 6 . 1 1 59 59 LEU HA H 59 4.274 4.274 4.125 0.149 25786 2389 1 6 . 1 1 59 59 LEU C C 59 178.823 178.823 178.368 0.455 25786 2390 1 6 . 1 1 59 59 LEU CA C 59 59.044 59.044 58.319 0.725 25786 2391 1 6 . 1 1 59 59 LEU CB C 59 40.851 40.851 41.596 -0.745 25786 2392 1 6 . 1 1 59 59 LEU H H 59 8.599 8.599 7.911 0.688 25786 2393 1 6 . 1 1 60 60 HIS N N 60 116.952 116.952 116.876 0.076 25786 2394 1 6 . 1 1 60 60 HIS HA H 60 4.389 4.389 4.413 -0.024 25786 2395 1 6 . 1 1 60 60 HIS C C 60 177.635 177.635 177.396 0.239 25786 2396 1 6 . 1 1 60 60 HIS CA C 60 59.755 59.755 60.486 -0.731 25786 2397 1 6 . 1 1 60 60 HIS CB C 60 30.083 30.083 29.465 0.618 25786 2398 1 6 . 1 1 60 60 HIS H H 60 7.909 7.909 7.978 -0.069 25786 2399 1 6 . 1 1 61 61 TRP N N 61 123.194 123.194 122.571 0.623 25786 2400 1 6 . 1 1 61 61 TRP HA H 61 4.032 4.032 4.449 -0.417 25786 2401 1 6 . 1 1 61 61 TRP C C 61 179.298 179.298 177.508 1.790 25786 2402 1 6 . 1 1 61 61 TRP CA C 61 62.541 62.541 60.745 1.796 25786 2403 1 6 . 1 1 61 61 TRP CB C 61 28.839 28.839 29.739 -0.900 25786 2404 1 6 . 1 1 61 61 TRP H H 61 8.142 8.142 7.475 0.667 25786 2405 1 6 . 1 1 62 62 PHE N N 62 120.038 120.038 118.760 1.278 25786 2406 1 6 . 1 1 62 62 PHE HA H 62 4.205 4.205 3.845 0.360 25786 2407 1 6 . 1 1 62 62 PHE C C 62 179.080 179.080 178.629 0.451 25786 2408 1 6 . 1 1 62 62 PHE CA C 62 63.629 63.629 62.562 1.067 25786 2409 1 6 . 1 1 62 62 PHE CB C 62 38.664 38.664 38.395 0.269 25786 2410 1 6 . 1 1 62 62 PHE H H 62 9.447 9.447 8.740 0.707 25786 2411 1 6 . 1 1 63 63 ARG N N 63 118.560 118.560 117.317 1.243 25786 2412 1 6 . 1 1 63 63 ARG HA H 63 4.258 4.258 4.522 -0.264 25786 2413 1 6 . 1 1 63 63 ARG C C 63 181.328 181.328 178.250 3.078 25786 2414 1 6 . 1 1 63 63 ARG CA C 63 59.257 59.257 58.433 0.824 25786 2415 1 6 . 1 1 63 63 ARG CB C 63 29.697 29.697 30.242 -0.545 25786 2416 1 6 . 1 1 63 63 ARG H H 63 8.665 8.665 8.443 0.222 25786 2417 1 6 . 1 1 64 64 LYS N N 64 122.759 122.759 117.954 4.805 25786 2418 1 6 . 1 1 64 64 LYS HA H 64 4.019 4.019 4.193 -0.174 25786 2419 1 6 . 1 1 64 64 LYS C C 64 177.595 177.595 177.386 0.209 25786 2420 1 6 . 1 1 64 64 LYS CA C 64 58.651 58.651 58.067 0.584 25786 2421 1 6 . 1 1 64 64 LYS CB C 64 31.510 31.510 32.404 -0.894 25786 2422 1 6 . 1 1 64 64 LYS H H 64 8.690 8.690 7.498 1.192 25786 2423 1 6 . 1 1 65 65 ASN N N 65 115.681 115.681 116.218 -0.537 25786 2424 1 6 . 1 1 65 65 ASN HA H 65 4.532 4.532 4.709 -0.177 25786 2425 1 6 . 1 1 65 65 ASN C C 65 173.405 173.405 174.590 -1.185 25786 2426 1 6 . 1 1 65 65 ASN CA C 65 53.685 53.685 52.182 1.503 25786 2427 1 6 . 1 1 65 65 ASN CB C 65 39.038 39.038 38.548 0.490 25786 2428 1 6 . 1 1 65 65 ASN H H 65 7.246 7.246 7.636 -0.390 25786 2429 1 6 . 1 1 66 66 GLY N N 66 105.186 105.186 104.646 0.540 25786 2430 1 6 . 1 1 66 66 GLY C C 66 173.869 173.869 173.967 -0.098 25786 2431 1 6 . 1 1 66 66 GLY CA C 66 45.539 45.539 44.762 0.777 25786 2432 1 6 . 1 1 66 66 GLY H H 66 7.603 7.603 7.313 0.290 25786 2433 1 6 . 1 1 67 67 TYR N N 67 119.699 119.699 122.083 -2.384 25786 2434 1 6 . 1 1 67 67 TYR HA H 67 4.542 4.542 4.779 -0.237 25786 2435 1 6 . 1 1 67 67 TYR C C 67 175.838 175.838 175.904 -0.066 25786 2436 1 6 . 1 1 67 67 TYR CA C 67 57.858 57.858 58.487 -0.629 25786 2437 1 6 . 1 1 67 67 TYR CB C 67 38.564 38.564 38.017 0.547 25786 2438 1 6 . 1 1 67 67 TYR H H 67 8.248 8.248 7.887 0.361 25786 2439 1 6 . 1 1 68 68 ARG N N 68 125.588 125.588 126.500 -0.912 25786 2440 1 6 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.453 -0.064 25786 2441 1 6 . 1 1 68 68 ARG C C 68 174.479 174.479 175.106 -0.627 25786 2442 1 6 . 1 1 68 68 ARG CA C 68 55.649 55.649 55.537 0.112 25786 2443 1 6 . 1 1 68 68 ARG CB C 68 28.357 28.357 28.975 -0.618 25786 2444 1 6 . 1 1 68 68 ARG H H 68 8.550 8.550 9.295 -0.745 25786 2445 1 6 . 1 1 69 69 LEU N N 69 122.034 122.034 117.976 4.058 25786 2446 1 6 . 1 1 69 69 LEU HA H 69 4.711 4.711 4.749 -0.038 25786 2447 1 6 . 1 1 69 69 LEU C C 69 175.630 175.630 175.564 0.066 25786 2448 1 6 . 1 1 69 69 LEU CA C 69 53.367 53.367 52.894 0.473 25786 2449 1 6 . 1 1 69 69 LEU CB C 69 44.286 44.286 43.564 0.722 25786 2450 1 6 . 1 1 69 69 LEU H H 69 7.421 7.421 7.397 0.024 25786 2451 1 6 . 1 1 70 70 THR N N 70 109.789 109.789 114.533 -4.744 25786 2452 1 6 . 1 1 70 70 THR HA H 70 4.721 4.721 4.602 0.119 25786 2453 1 6 . 1 1 70 70 THR C C 70 174.636 174.636 175.003 -0.367 25786 2454 1 6 . 1 1 70 70 THR CA C 70 59.377 59.377 61.155 -1.778 25786 2455 1 6 . 1 1 70 70 THR CB C 70 72.180 72.180 71.397 0.783 25786 2456 1 6 . 1 1 70 70 THR H H 70 8.163 8.163 8.771 -0.608 25786 2457 1 6 . 1 1 71 71 LEU N N 71 122.563 122.563 125.824 -3.261 25786 2458 1 6 . 1 1 71 71 LEU HA H 71 3.885 3.885 3.867 0.018 25786 2459 1 6 . 1 1 71 71 LEU C C 71 178.632 178.632 178.171 0.461 25786 2460 1 6 . 1 1 71 71 LEU CA C 71 58.196 58.196 58.004 0.192 25786 2461 1 6 . 1 1 71 71 LEU CB C 71 41.940 41.940 42.025 -0.085 25786 2462 1 6 . 1 1 71 71 LEU H H 71 8.825 8.825 8.727 0.098 25786 2463 1 6 . 1 1 72 72 ARG N N 72 115.949 115.949 118.590 -2.641 25786 2464 1 6 . 1 1 72 72 ARG HA H 72 3.876 3.876 4.038 -0.162 25786 2465 1 6 . 1 1 72 72 ARG C C 72 178.893 178.893 178.228 0.665 25786 2466 1 6 . 1 1 72 72 ARG CA C 72 59.147 59.147 59.903 -0.756 25786 2467 1 6 . 1 1 72 72 ARG CB C 72 29.631 29.631 29.689 -0.058 25786 2468 1 6 . 1 1 72 72 ARG H H 72 8.244 8.244 8.541 -0.297 25786 2469 1 6 . 1 1 73 73 GLU N N 73 117.665 117.665 118.923 -1.258 25786 2470 1 6 . 1 1 73 73 GLU HA H 73 3.951 3.951 4.033 -0.082 25786 2471 1 6 . 1 1 73 73 GLU C C 73 178.762 178.762 179.215 -0.453 25786 2472 1 6 . 1 1 73 73 GLU CA C 73 59.092 59.092 59.485 -0.393 25786 2473 1 6 . 1 1 73 73 GLU CB C 73 29.739 29.739 28.844 0.895 25786 2474 1 6 . 1 1 73 73 GLU H H 73 7.461 7.461 7.712 -0.251 25786 2475 1 6 . 1 1 74 74 LEU N N 74 117.724 117.724 119.786 -2.062 25786 2476 1 6 . 1 1 74 74 LEU HA H 74 3.898 3.898 4.248 -0.350 25786 2477 1 6 . 1 1 74 74 LEU C C 74 179.355 179.355 179.164 0.191 25786 2478 1 6 . 1 1 74 74 LEU CA C 74 57.469 57.469 57.859 -0.390 25786 2479 1 6 . 1 1 74 74 LEU CB C 74 41.619 41.619 41.245 0.374 25786 2480 1 6 . 1 1 74 74 LEU H H 74 7.413 7.413 7.308 0.105 25786 2481 1 6 . 1 1 75 75 TYR N N 75 114.976 114.976 116.397 -1.421 25786 2482 1 6 . 1 1 75 75 TYR HA H 75 4.054 4.054 4.382 -0.328 25786 2483 1 6 . 1 1 75 75 TYR C C 75 176.656 176.656 178.148 -1.492 25786 2484 1 6 . 1 1 75 75 TYR CA C 75 60.638 60.638 59.727 0.911 25786 2485 1 6 . 1 1 75 75 TYR CB C 75 39.688 39.688 38.041 1.647 25786 2486 1 6 . 1 1 75 75 TYR H H 75 8.086 8.086 7.678 0.408 25786 2487 1 6 . 1 1 76 76 ALA N N 76 119.116 119.116 120.857 -1.741 25786 2488 1 6 . 1 1 76 76 ALA HA H 76 4.052 4.052 4.351 -0.299 25786 2489 1 6 . 1 1 76 76 ALA C C 76 178.156 178.156 177.242 0.914 25786 2490 1 6 . 1 1 76 76 ALA CA C 76 54.468 54.468 53.269 1.199 25786 2491 1 6 . 1 1 76 76 ALA CB C 76 18.535 18.535 19.666 -1.131 25786 2492 1 6 . 1 1 76 76 ALA H H 76 7.776 7.776 7.867 -0.091 25786 2493 1 6 . 1 1 77 77 ALA N N 77 116.862 116.862 120.904 -4.042 25786 2494 1 6 . 1 1 77 77 ALA C C 77 173.737 173.737 174.466 -0.729 25786 2495 1 6 . 1 1 77 77 ALA CA C 77 49.713 49.713 49.513 0.200 25786 2496 1 6 . 1 1 77 77 ALA CB C 77 19.226 19.226 19.571 -0.345 25786 2497 1 6 . 1 1 77 77 ALA H H 77 6.706 6.706 8.079 -1.373 25786 2498 1 6 . 1 1 78 78 PRO HA H 78 5.018 5.018 4.988 0.030 25786 2499 1 6 . 1 1 78 78 PRO CA C 78 61.523 61.523 62.450 -0.927 25786 2500 1 6 . 1 1 78 78 PRO CB C 78 28.845 28.845 30.505 -1.660 25786 2501 1 6 . 1 1 79 79 THR N N 79 111.947 111.947 112.789 -0.842 25786 2502 1 6 . 1 1 79 79 THR HA H 79 4.396 4.396 4.724 -0.328 25786 2503 1 6 . 1 1 79 79 THR C C 79 173.000 173.000 174.235 -1.235 25786 2504 1 6 . 1 1 79 79 THR CA C 79 58.059 58.059 59.633 -1.574 25786 2505 1 6 . 1 1 79 79 THR CB C 79 72.247 72.247 72.364 -0.117 25786 2506 1 6 . 1 1 79 79 THR H H 79 7.664 7.664 7.170 0.494 25786 2507 1 6 . 1 1 80 80 LEU N N 80 123.227 123.227 123.552 -0.325 25786 2508 1 6 . 1 1 80 80 LEU HA H 80 3.747 3.747 3.863 -0.116 25786 2509 1 6 . 1 1 80 80 LEU C C 80 179.028 179.028 177.800 1.228 25786 2510 1 6 . 1 1 80 80 LEU CA C 80 58.209 58.209 57.789 0.420 25786 2511 1 6 . 1 1 80 80 LEU CB C 80 41.579 41.579 41.679 -0.100 25786 2512 1 6 . 1 1 80 80 LEU H H 80 9.609 9.609 8.429 1.180 25786 2513 1 6 . 1 1 81 81 ALA N N 81 119.663 119.663 122.039 -2.376 25786 2514 1 6 . 1 1 81 81 ALA HA H 81 4.141 4.141 4.316 -0.175 25786 2515 1 6 . 1 1 81 81 ALA C C 81 181.038 181.038 179.448 1.590 25786 2516 1 6 . 1 1 81 81 ALA CA C 81 54.876 54.876 54.858 0.018 25786 2517 1 6 . 1 1 81 81 ALA CB C 81 18.428 18.428 18.108 0.320 25786 2518 1 6 . 1 1 81 81 ALA H H 81 8.831 8.831 8.376 0.455 25786 2519 1 6 . 1 1 82 82 ALA N N 82 122.181 122.181 121.185 0.996 25786 2520 1 6 . 1 1 82 82 ALA HA H 82 4.225 4.225 4.141 0.084 25786 2521 1 6 . 1 1 82 82 ALA C C 82 181.868 181.868 179.742 2.126 25786 2522 1 6 . 1 1 82 82 ALA CA C 82 54.808 54.808 54.887 -0.079 25786 2523 1 6 . 1 1 82 82 ALA CB C 82 19.088 19.088 18.353 0.735 25786 2524 1 6 . 1 1 82 82 ALA H H 82 8.272 8.272 7.636 0.636 25786 2525 1 6 . 1 1 83 83 TRP N N 83 123.399 123.399 118.207 5.192 25786 2526 1 6 . 1 1 83 83 TRP HA H 83 4.543 4.543 4.274 0.269 25786 2527 1 6 . 1 1 83 83 TRP C C 83 178.633 178.633 178.683 -0.050 25786 2528 1 6 . 1 1 83 83 TRP CA C 83 59.562 59.562 58.497 1.065 25786 2529 1 6 . 1 1 83 83 TRP CB C 83 28.301 28.301 28.528 -0.227 25786 2530 1 6 . 1 1 83 83 TRP H H 83 9.378 9.378 7.884 1.494 25786 2531 1 6 . 1 1 84 84 ASN N N 84 118.250 118.250 118.440 -0.190 25786 2532 1 6 . 1 1 84 84 ASN HA H 84 4.616 4.616 4.232 0.384 25786 2533 1 6 . 1 1 84 84 ASN C C 84 177.231 177.231 177.650 -0.419 25786 2534 1 6 . 1 1 84 84 ASN CA C 84 57.096 57.096 56.069 1.028 25786 2535 1 6 . 1 1 84 84 ASN CB C 84 39.229 39.229 37.642 1.587 25786 2536 1 6 . 1 1 84 84 ASN H H 84 9.136 9.136 8.561 0.575 25786 2537 1 6 . 1 1 85 85 GLN N N 85 116.261 116.261 119.543 -3.282 25786 2538 1 6 . 1 1 85 85 GLN HA H 85 4.011 4.011 4.087 -0.076 25786 2539 1 6 . 1 1 85 85 GLN C C 85 179.455 179.455 178.829 0.626 25786 2540 1 6 . 1 1 85 85 GLN CA C 85 58.748 58.748 58.397 0.351 25786 2541 1 6 . 1 1 85 85 GLN CB C 85 27.840 27.840 28.420 -0.580 25786 2542 1 6 . 1 1 85 85 GLN H H 85 7.511 7.511 7.931 -0.420 25786 2543 1 6 . 1 1 86 86 LEU N N 86 121.554 121.554 120.086 1.468 25786 2544 1 6 . 1 1 86 86 LEU HA H 86 4.041 4.041 4.055 -0.014 25786 2545 1 6 . 1 1 86 86 LEU C C 86 179.171 179.171 179.462 -0.291 25786 2546 1 6 . 1 1 86 86 LEU CA C 86 57.804 57.804 57.485 0.319 25786 2547 1 6 . 1 1 86 86 LEU CB C 86 41.915 41.915 41.633 0.282 25786 2548 1 6 . 1 1 86 86 LEU H H 86 8.172 8.172 8.323 -0.151 25786 2549 1 6 . 1 1 87 87 MET N N 87 117.874 117.874 116.338 1.536 25786 2550 1 6 . 1 1 87 87 MET HA H 87 3.752 3.752 4.106 -0.354 25786 2551 1 6 . 1 1 87 87 MET C C 87 178.221 178.221 178.281 -0.060 25786 2552 1 6 . 1 1 87 87 MET CA C 87 59.481 59.481 58.851 0.630 25786 2553 1 6 . 1 1 87 87 MET CB C 87 34.875 34.875 32.844 2.031 25786 2554 1 6 . 1 1 87 87 MET H H 87 8.197 8.197 7.981 0.216 25786 2555 1 6 . 1 1 88 88 LEU N N 88 117.598 117.598 122.697 -5.099 25786 2556 1 6 . 1 1 88 88 LEU HA H 88 4.054 4.054 4.495 -0.441 25786 2557 1 6 . 1 1 88 88 LEU C C 88 179.237 179.237 178.196 1.041 25786 2558 1 6 . 1 1 88 88 LEU CA C 88 57.076 57.076 57.352 -0.276 25786 2559 1 6 . 1 1 88 88 LEU CB C 88 42.395 42.395 42.287 0.108 25786 2560 1 6 . 1 1 88 88 LEU H H 88 7.902 7.902 7.701 0.201 25786 2561 1 6 . 1 1 89 89 SER N N 89 113.195 113.195 113.523 -0.328 25786 2562 1 6 . 1 1 89 89 SER HA H 89 4.038 4.038 4.314 -0.276 25786 2563 1 6 . 1 1 89 89 SER C C 89 175.090 175.090 175.956 -0.866 25786 2564 1 6 . 1 1 89 89 SER CA C 89 59.901 59.901 60.810 -0.909 25786 2565 1 6 . 1 1 89 89 SER CB C 89 63.834 63.834 63.083 0.751 25786 2566 1 6 . 1 1 89 89 SER H H 89 7.958 7.958 8.527 -0.569 25786 2567 1 6 . 1 1 90 90 ARG N N 90 122.031 122.031 121.579 0.452 25786 2568 1 6 . 1 1 90 90 ARG HA H 90 4.701 4.701 4.381 0.320 25786 2569 1 6 . 1 1 90 90 ARG C C 90 175.695 175.695 176.727 -1.032 25786 2570 1 6 . 1 1 90 90 ARG CA C 90 53.905 53.905 56.555 -2.650 25786 2571 1 6 . 1 1 90 90 ARG CB C 90 29.631 29.631 31.034 -1.403 25786 2572 1 6 . 1 1 90 90 ARG H H 90 7.923 7.923 7.428 0.495 25786 2573 1 6 . 1 1 91 91 SER N N 91 117.191 117.191 113.544 3.647 25786 2574 1 6 . 1 1 91 91 SER C C 91 172.914 172.914 171.818 1.096 25786 2575 1 6 . 1 1 91 91 SER CA C 91 57.104 57.104 60.249 -3.145 25786 2576 1 6 . 1 1 91 91 SER CB C 91 63.437 63.437 60.630 2.807 25786 2577 1 6 . 1 1 91 91 SER H H 91 7.752 7.752 8.605 -0.853 25786 2578 1 6 . 1 1 92 92 PRO HA H 92 4.420 4.420 4.376 0.044 25786 2579 1 6 . 1 1 92 92 PRO CA C 92 63.414 63.414 62.382 1.032 25786 2580 1 6 . 1 1 92 92 PRO CB C 92 31.895 31.895 31.944 -0.049 25786 2581 1 7 . 1 1 15 15 ASN N N 15 119.857 119.857 118.539 1.318 25786 2582 1 7 . 1 1 15 15 ASN HA H 15 4.719 4.719 4.926 -0.207 25786 2583 1 7 . 1 1 15 15 ASN C C 15 175.735 175.735 174.028 1.707 25786 2584 1 7 . 1 1 15 15 ASN CA C 15 53.556 53.556 53.870 -0.314 25786 2585 1 7 . 1 1 15 15 ASN CB C 15 38.731 38.731 40.000 -1.269 25786 2586 1 7 . 1 1 15 15 ASN H H 15 8.425 8.425 8.415 0.010 25786 2587 1 7 . 1 1 16 16 ARG N N 16 122.030 122.030 123.240 -1.210 25786 2588 1 7 . 1 1 16 16 ARG HA H 16 4.211 4.211 4.523 -0.312 25786 2589 1 7 . 1 1 16 16 ARG C C 16 176.669 176.669 177.699 -1.030 25786 2590 1 7 . 1 1 16 16 ARG CA C 16 57.735 57.735 56.354 1.381 25786 2591 1 7 . 1 1 16 16 ARG CB C 16 30.224 30.224 31.026 -0.801 25786 2592 1 7 . 1 1 16 16 ARG H H 16 8.347 8.347 8.579 -0.232 25786 2593 1 7 . 1 1 17 17 HIS N N 17 118.590 118.590 120.539 -1.949 25786 2594 1 7 . 1 1 17 17 HIS HA H 17 4.563 4.563 4.483 0.080 25786 2595 1 7 . 1 1 17 17 HIS C C 17 176.284 176.284 177.380 -1.096 25786 2596 1 7 . 1 1 17 17 HIS CA C 17 58.394 58.394 58.808 -0.414 25786 2597 1 7 . 1 1 17 17 HIS CB C 17 30.362 30.362 29.877 0.485 25786 2598 1 7 . 1 1 17 17 HIS H H 17 8.395 8.395 8.606 -0.211 25786 2599 1 7 . 1 1 18 18 ALA N N 18 122.047 122.047 121.057 0.990 25786 2600 1 7 . 1 1 18 18 ALA HA H 18 4.182 4.182 4.227 -0.045 25786 2601 1 7 . 1 1 18 18 ALA C C 18 180.003 180.003 178.117 1.886 25786 2602 1 7 . 1 1 18 18 ALA CA C 18 54.294 54.294 54.379 -0.085 25786 2603 1 7 . 1 1 18 18 ALA CB C 18 18.849 18.849 18.241 0.608 25786 2604 1 7 . 1 1 18 18 ALA H H 18 8.436 8.436 8.439 -0.003 25786 2605 1 7 . 1 1 19 19 ALA N N 19 122.607 122.607 120.516 2.091 25786 2606 1 7 . 1 1 19 19 ALA HA H 19 4.275 4.275 4.186 0.089 25786 2607 1 7 . 1 1 19 19 ALA C C 19 180.295 180.295 179.863 0.432 25786 2608 1 7 . 1 1 19 19 ALA CA C 19 55.040 55.040 54.877 0.164 25786 2609 1 7 . 1 1 19 19 ALA CB C 19 18.267 18.267 18.428 -0.161 25786 2610 1 7 . 1 1 19 19 ALA H H 19 8.402 8.402 7.967 0.435 25786 2611 1 7 . 1 1 20 20 ASP N N 20 118.796 118.796 119.202 -0.406 25786 2612 1 7 . 1 1 20 20 ASP HA H 20 4.837 4.837 4.572 0.265 25786 2613 1 7 . 1 1 20 20 ASP C C 20 177.313 177.313 177.914 -0.601 25786 2614 1 7 . 1 1 20 20 ASP CA C 20 56.725 56.725 58.099 -1.375 25786 2615 1 7 . 1 1 20 20 ASP CB C 20 40.189 40.189 40.984 -0.795 25786 2616 1 7 . 1 1 20 20 ASP H H 20 8.317 8.317 8.395 -0.078 25786 2617 1 7 . 1 1 21 21 TYR N N 21 120.958 120.958 120.135 0.823 25786 2618 1 7 . 1 1 21 21 TYR HA H 21 4.058 4.058 4.293 -0.235 25786 2619 1 7 . 1 1 21 21 TYR C C 21 176.282 176.282 177.378 -1.096 25786 2620 1 7 . 1 1 21 21 TYR CA C 21 61.892 61.892 60.965 0.927 25786 2621 1 7 . 1 1 21 21 TYR CB C 21 38.655 38.655 38.264 0.391 25786 2622 1 7 . 1 1 21 21 TYR H H 21 8.679 8.679 7.659 1.020 25786 2623 1 7 . 1 1 22 22 GLN N N 22 117.715 117.715 118.845 -1.130 25786 2624 1 7 . 1 1 22 22 GLN HA H 22 3.826 3.826 3.483 0.343 25786 2625 1 7 . 1 1 22 22 GLN C C 22 178.197 178.197 178.123 0.074 25786 2626 1 7 . 1 1 22 22 GLN CA C 22 59.110 59.110 58.701 0.409 25786 2627 1 7 . 1 1 22 22 GLN CB C 22 27.430 27.430 27.855 -0.425 25786 2628 1 7 . 1 1 22 22 GLN H H 22 8.236 8.236 7.801 0.435 25786 2629 1 7 . 1 1 23 23 GLN N N 23 118.526 118.526 119.644 -1.118 25786 2630 1 7 . 1 1 23 23 GLN HA H 23 4.100 4.100 4.221 -0.121 25786 2631 1 7 . 1 1 23 23 GLN C C 23 177.521 177.521 178.807 -1.286 25786 2632 1 7 . 1 1 23 23 GLN CA C 23 58.915 58.915 58.674 0.241 25786 2633 1 7 . 1 1 23 23 GLN CB C 23 29.032 29.032 28.244 0.788 25786 2634 1 7 . 1 1 23 23 GLN H H 23 8.003 8.003 7.789 0.214 25786 2635 1 7 . 1 1 24 24 LEU N N 24 121.914 121.914 121.274 0.640 25786 2636 1 7 . 1 1 24 24 LEU HA H 24 3.444 3.444 3.181 0.263 25786 2637 1 7 . 1 1 24 24 LEU C C 24 176.882 176.882 178.054 -1.172 25786 2638 1 7 . 1 1 24 24 LEU CA C 24 58.115 58.115 58.123 -0.008 25786 2639 1 7 . 1 1 24 24 LEU CB C 24 41.704 41.704 41.658 0.046 25786 2640 1 7 . 1 1 24 24 LEU H H 24 8.031 8.031 8.516 -0.485 25786 2641 1 7 . 1 1 25 25 ARG N N 25 116.645 116.645 118.481 -1.836 25786 2642 1 7 . 1 1 25 25 ARG HA H 25 3.395 3.395 3.756 -0.361 25786 2643 1 7 . 1 1 25 25 ARG C C 25 177.469 177.469 178.326 -0.857 25786 2644 1 7 . 1 1 25 25 ARG CA C 25 60.246 60.246 59.569 0.677 25786 2645 1 7 . 1 1 25 25 ARG CB C 25 29.925 29.925 29.948 -0.023 25786 2646 1 7 . 1 1 25 25 ARG H H 25 7.981 7.981 7.910 0.071 25786 2647 1 7 . 1 1 26 26 GLU N N 26 115.943 115.943 119.207 -3.264 25786 2648 1 7 . 1 1 26 26 GLU HA H 26 3.832 3.832 3.881 -0.049 25786 2649 1 7 . 1 1 26 26 GLU C C 26 179.682 179.682 179.158 0.524 25786 2650 1 7 . 1 1 26 26 GLU CA C 26 59.517 59.517 59.455 0.062 25786 2651 1 7 . 1 1 26 26 GLU CB C 26 29.439 29.439 29.354 0.085 25786 2652 1 7 . 1 1 26 26 GLU H H 26 8.160 8.160 8.442 -0.282 25786 2653 1 7 . 1 1 27 27 ARG N N 27 118.766 118.766 119.949 -1.183 25786 2654 1 7 . 1 1 27 27 ARG HA H 27 4.144 4.144 4.181 -0.037 25786 2655 1 7 . 1 1 27 27 ARG C C 27 179.241 179.241 178.473 0.768 25786 2656 1 7 . 1 1 27 27 ARG CA C 27 58.855 58.855 57.834 1.021 25786 2657 1 7 . 1 1 27 27 ARG CB C 27 29.996 29.996 29.698 0.298 25786 2658 1 7 . 1 1 27 27 ARG H H 27 8.283 8.283 7.918 0.365 25786 2659 1 7 . 1 1 28 28 LEU N N 28 122.077 122.077 120.861 1.216 25786 2660 1 7 . 1 1 28 28 LEU HA H 28 4.106 4.106 4.009 0.097 25786 2661 1 7 . 1 1 28 28 LEU C C 28 178.766 178.766 179.009 -0.243 25786 2662 1 7 . 1 1 28 28 LEU CA C 28 58.558 58.558 58.086 0.472 25786 2663 1 7 . 1 1 28 28 LEU CB C 28 42.514 42.514 41.538 0.976 25786 2664 1 7 . 1 1 28 28 LEU H H 28 8.389 8.389 7.982 0.407 25786 2665 1 7 . 1 1 29 29 ILE N N 29 117.586 117.586 119.496 -1.910 25786 2666 1 7 . 1 1 29 29 ILE HA H 29 3.339 3.339 3.545 -0.206 25786 2667 1 7 . 1 1 29 29 ILE C C 29 177.927 177.927 178.039 -0.112 25786 2668 1 7 . 1 1 29 29 ILE CA C 29 66.203 66.203 66.222 -0.019 25786 2669 1 7 . 1 1 29 29 ILE CB C 29 37.823 37.823 37.554 0.269 25786 2670 1 7 . 1 1 29 29 ILE H H 29 7.914 7.914 8.430 -0.516 25786 2671 1 7 . 1 1 30 30 GLN N N 30 116.395 116.395 117.973 -1.578 25786 2672 1 7 . 1 1 30 30 GLN HA H 30 4.157 4.157 4.033 0.124 25786 2673 1 7 . 1 1 30 30 GLN C C 30 179.400 179.400 179.176 0.224 25786 2674 1 7 . 1 1 30 30 GLN CA C 30 58.410 58.410 58.889 -0.478 25786 2675 1 7 . 1 1 30 30 GLN CB C 30 28.804 28.804 28.355 0.449 25786 2676 1 7 . 1 1 30 30 GLN H H 30 7.287 7.287 7.732 -0.445 25786 2677 1 7 . 1 1 31 31 GLU N N 31 120.336 120.336 121.636 -1.300 25786 2678 1 7 . 1 1 31 31 GLU HA H 31 4.023 4.023 4.154 -0.131 25786 2679 1 7 . 1 1 31 31 GLU C C 31 178.395 178.395 178.178 0.217 25786 2680 1 7 . 1 1 31 31 GLU CA C 31 59.377 59.377 58.886 0.491 25786 2681 1 7 . 1 1 31 31 GLU CB C 31 30.436 30.436 29.642 0.794 25786 2682 1 7 . 1 1 31 31 GLU H H 31 8.814 8.814 8.441 0.373 25786 2683 1 7 . 1 1 32 32 LEU N N 32 115.139 115.139 115.774 -0.635 25786 2684 1 7 . 1 1 32 32 LEU HA H 32 4.377 4.377 4.447 -0.070 25786 2685 1 7 . 1 1 32 32 LEU C C 32 176.033 176.033 176.406 -0.373 25786 2686 1 7 . 1 1 32 32 LEU CA C 32 54.101 54.101 54.442 -0.341 25786 2687 1 7 . 1 1 32 32 LEU CB C 32 41.354 41.354 42.206 -0.852 25786 2688 1 7 . 1 1 32 32 LEU H H 32 8.109 8.109 8.010 0.099 25786 2689 1 7 . 1 1 33 33 ASN N N 33 116.751 116.751 113.880 2.871 25786 2690 1 7 . 1 1 33 33 ASN HA H 33 4.453 4.453 4.353 0.100 25786 2691 1 7 . 1 1 33 33 ASN C C 33 174.288 174.288 174.654 -0.366 25786 2692 1 7 . 1 1 33 33 ASN CA C 33 54.024 54.024 54.361 -0.338 25786 2693 1 7 . 1 1 33 33 ASN CB C 33 36.929 36.929 36.801 0.128 25786 2694 1 7 . 1 1 33 33 ASN H H 33 7.796 7.796 7.780 0.016 25786 2695 1 7 . 1 1 34 34 LEU N N 34 117.139 117.139 118.669 -1.530 25786 2696 1 7 . 1 1 34 34 LEU HA H 34 4.787 4.787 4.707 0.080 25786 2697 1 7 . 1 1 34 34 LEU C C 34 176.521 176.521 175.509 1.012 25786 2698 1 7 . 1 1 34 34 LEU CA C 34 53.079 53.079 54.018 -0.939 25786 2699 1 7 . 1 1 34 34 LEU CB C 34 44.673 44.673 43.972 0.701 25786 2700 1 7 . 1 1 34 34 LEU H H 34 7.728 7.728 8.495 -0.767 25786 2701 1 7 . 1 1 35 35 THR N N 35 110.751 110.751 107.563 3.188 25786 2702 1 7 . 1 1 35 35 THR HA H 35 4.803 4.803 4.791 0.012 25786 2703 1 7 . 1 1 35 35 THR C C 35 174.438 174.438 173.072 1.366 25786 2704 1 7 . 1 1 35 35 THR CA C 35 59.445 59.445 58.852 0.593 25786 2705 1 7 . 1 1 35 35 THR CB C 35 68.651 68.651 69.749 -1.098 25786 2706 1 7 . 1 1 35 35 THR H H 35 8.001 8.001 7.937 0.064 25786 2707 1 7 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.340 -0.263 25786 2708 1 7 . 1 1 36 36 PRO CA C 36 65.645 65.645 64.937 0.708 25786 2709 1 7 . 1 1 36 36 PRO CB C 36 31.632 31.632 31.892 -0.260 25786 2710 1 7 . 1 1 37 37 GLN N N 37 112.874 112.874 114.051 -1.177 25786 2711 1 7 . 1 1 37 37 GLN HA H 37 4.105 4.105 4.275 -0.170 25786 2712 1 7 . 1 1 37 37 GLN C C 37 176.960 176.960 177.480 -0.520 25786 2713 1 7 . 1 1 37 37 GLN CA C 37 57.891 57.891 56.328 1.563 25786 2714 1 7 . 1 1 37 37 GLN CB C 37 27.902 27.902 28.324 -0.422 25786 2715 1 7 . 1 1 37 37 GLN H H 37 8.005 8.005 7.641 0.364 25786 2716 1 7 . 1 1 38 38 GLN N N 38 116.477 116.477 117.850 -1.373 25786 2717 1 7 . 1 1 38 38 GLN HA H 38 4.187 4.187 4.367 -0.180 25786 2718 1 7 . 1 1 38 38 GLN C C 38 175.508 175.508 177.292 -1.784 25786 2719 1 7 . 1 1 38 38 GLN CA C 38 56.398 56.398 56.308 0.090 25786 2720 1 7 . 1 1 38 38 GLN CB C 38 31.126 31.126 29.722 1.404 25786 2721 1 7 . 1 1 38 38 GLN H H 38 7.663 7.663 7.592 0.071 25786 2722 1 7 . 1 1 39 39 LEU N N 39 120.726 120.726 121.750 -1.024 25786 2723 1 7 . 1 1 39 39 LEU HA H 39 4.371 4.371 4.520 -0.149 25786 2724 1 7 . 1 1 39 39 LEU C C 39 174.277 174.277 175.305 -1.028 25786 2725 1 7 . 1 1 39 39 LEU CA C 39 53.959 53.959 53.573 0.386 25786 2726 1 7 . 1 1 39 39 LEU CB C 39 41.610 41.610 41.207 0.403 25786 2727 1 7 . 1 1 39 39 LEU H H 39 7.286 7.286 7.623 -0.337 25786 2728 1 7 . 1 1 40 40 HIS N N 40 124.680 124.680 120.489 4.191 25786 2729 1 7 . 1 1 40 40 HIS HA H 40 4.808 4.808 4.671 0.137 25786 2730 1 7 . 1 1 40 40 HIS C C 40 176.727 176.727 176.000 0.727 25786 2731 1 7 . 1 1 40 40 HIS CA C 40 54.762 54.762 54.253 0.509 25786 2732 1 7 . 1 1 40 40 HIS CB C 40 31.521 31.521 31.160 0.361 25786 2733 1 7 . 1 1 40 40 HIS H H 40 8.158 8.158 7.931 0.227 25786 2734 1 7 . 1 1 41 41 GLU HA H 41 4.029 4.029 3.987 0.042 25786 2735 1 7 . 1 1 42 42 GLU N N 42 113.813 113.813 116.417 -2.604 25786 2736 1 7 . 1 1 42 42 GLU HA H 42 4.547 4.547 4.137 0.410 25786 2737 1 7 . 1 1 42 42 GLU C C 42 176.680 176.680 176.091 0.589 25786 2738 1 7 . 1 1 42 42 GLU CA C 42 55.313 55.313 56.288 -0.975 25786 2739 1 7 . 1 1 42 42 GLU CB C 42 29.165 29.165 29.171 -0.006 25786 2740 1 7 . 1 1 42 42 GLU H H 42 8.808 8.808 8.224 0.584 25786 2741 1 7 . 1 1 43 43 SER N N 43 118.066 118.066 115.662 2.404 25786 2742 1 7 . 1 1 43 43 SER HA H 43 4.088 4.088 4.004 0.084 25786 2743 1 7 . 1 1 43 43 SER C C 43 173.663 173.663 174.090 -0.427 25786 2744 1 7 . 1 1 43 43 SER CA C 43 60.156 60.156 58.476 1.680 25786 2745 1 7 . 1 1 43 43 SER CB C 43 62.827 62.827 63.926 -1.099 25786 2746 1 7 . 1 1 43 43 SER H H 43 7.485 7.485 7.097 0.388 25786 2747 1 7 . 1 1 44 44 ASN N N 44 123.218 123.218 123.098 0.120 25786 2748 1 7 . 1 1 44 44 ASN HA H 44 4.392 4.392 5.047 -0.655 25786 2749 1 7 . 1 1 44 44 ASN C C 44 176.926 176.926 176.263 0.663 25786 2750 1 7 . 1 1 44 44 ASN CA C 44 53.987 53.987 52.980 1.007 25786 2751 1 7 . 1 1 44 44 ASN CB C 44 38.433 38.433 39.347 -0.914 25786 2752 1 7 . 1 1 44 44 ASN H H 44 8.811 8.811 8.520 0.291 25786 2753 1 7 . 1 1 45 45 LEU N N 45 128.735 128.735 125.274 3.461 25786 2754 1 7 . 1 1 45 45 LEU HA H 45 3.722 3.722 4.103 -0.381 25786 2755 1 7 . 1 1 45 45 LEU C C 45 178.143 178.143 178.631 -0.488 25786 2756 1 7 . 1 1 45 45 LEU CA C 45 57.149 57.149 57.123 0.026 25786 2757 1 7 . 1 1 45 45 LEU CB C 45 42.250 42.250 41.967 0.283 25786 2758 1 7 . 1 1 45 45 LEU H H 45 9.385 9.385 8.215 1.170 25786 2759 1 7 . 1 1 46 46 ILE N N 46 119.379 119.379 120.145 -0.766 25786 2760 1 7 . 1 1 46 46 ILE HA H 46 4.187 4.187 4.033 0.154 25786 2761 1 7 . 1 1 46 46 ILE C C 46 180.926 180.926 179.148 1.778 25786 2762 1 7 . 1 1 46 46 ILE CA C 46 63.814 63.814 64.549 -0.735 25786 2763 1 7 . 1 1 46 46 ILE CB C 46 36.709 36.709 37.794 -1.085 25786 2764 1 7 . 1 1 46 46 ILE H H 46 7.659 7.659 7.688 -0.029 25786 2765 1 7 . 1 1 47 47 GLN N N 47 121.737 121.737 118.391 3.346 25786 2766 1 7 . 1 1 47 47 GLN HA H 47 3.989 3.989 4.186 -0.197 25786 2767 1 7 . 1 1 47 47 GLN C C 47 177.739 177.739 176.431 1.308 25786 2768 1 7 . 1 1 47 47 GLN CA C 47 58.033 58.033 57.851 0.182 25786 2769 1 7 . 1 1 47 47 GLN CB C 47 27.985 27.985 28.000 -0.015 25786 2770 1 7 . 1 1 47 47 GLN H H 47 8.161 8.161 8.532 -0.371 25786 2771 1 7 . 1 1 48 48 ALA N N 48 117.777 117.777 120.030 -2.253 25786 2772 1 7 . 1 1 48 48 ALA HA H 48 4.260 4.260 4.454 -0.194 25786 2773 1 7 . 1 1 48 48 ALA C C 48 176.582 176.582 176.888 -0.306 25786 2774 1 7 . 1 1 48 48 ALA CA C 48 52.710 52.710 51.479 1.231 25786 2775 1 7 . 1 1 48 48 ALA CB C 48 18.601 18.601 19.882 -1.281 25786 2776 1 7 . 1 1 48 48 ALA H H 48 7.448 7.448 7.510 -0.062 25786 2777 1 7 . 1 1 49 49 GLY N N 49 102.932 102.932 105.507 -2.575 25786 2778 1 7 . 1 1 49 49 GLY C C 49 174.451 174.451 173.840 0.611 25786 2779 1 7 . 1 1 49 49 GLY CA C 49 44.967 44.967 44.785 0.182 25786 2780 1 7 . 1 1 49 49 GLY H H 49 7.445 7.445 7.713 -0.268 25786 2781 1 7 . 1 1 50 50 LEU N N 50 123.058 123.058 123.789 -0.731 25786 2782 1 7 . 1 1 50 50 LEU HA H 50 4.257 4.257 4.659 -0.402 25786 2783 1 7 . 1 1 50 50 LEU C C 50 173.460 173.460 176.209 -2.749 25786 2784 1 7 . 1 1 50 50 LEU CA C 50 55.909 55.909 53.841 2.068 25786 2785 1 7 . 1 1 50 50 LEU CB C 50 41.454 41.454 43.223 -1.769 25786 2786 1 7 . 1 1 50 50 LEU H H 50 8.545 8.545 7.822 0.723 25786 2787 1 7 . 1 1 54 54 ARG N N 54 121.407 121.407 121.925 -0.518 25786 2788 1 7 . 1 1 54 54 ARG HA H 54 4.088 4.088 3.892 0.196 25786 2789 1 7 . 1 1 54 54 ARG C C 54 179.647 179.647 178.151 1.496 25786 2790 1 7 . 1 1 54 54 ARG CA C 54 59.615 59.615 59.375 0.240 25786 2791 1 7 . 1 1 54 54 ARG CB C 54 30.633 30.633 30.603 0.030 25786 2792 1 7 . 1 1 54 54 ARG H H 54 8.412 8.412 8.981 -0.569 25786 2793 1 7 . 1 1 55 55 LEU N N 55 121.118 121.118 120.864 0.254 25786 2794 1 7 . 1 1 55 55 LEU HA H 55 4.332 4.332 4.407 -0.075 25786 2795 1 7 . 1 1 55 55 LEU C C 55 178.416 178.416 178.440 -0.024 25786 2796 1 7 . 1 1 55 55 LEU CA C 55 59.035 59.035 58.454 0.581 25786 2797 1 7 . 1 1 55 55 LEU CB C 55 41.718 41.718 41.229 0.489 25786 2798 1 7 . 1 1 55 55 LEU H H 55 9.050 9.050 8.100 0.950 25786 2799 1 7 . 1 1 56 56 MET N N 56 117.969 117.969 117.539 0.430 25786 2800 1 7 . 1 1 56 56 MET HA H 56 4.284 4.284 4.135 0.149 25786 2801 1 7 . 1 1 56 56 MET C C 56 178.301 178.301 178.068 0.233 25786 2802 1 7 . 1 1 56 56 MET CA C 56 57.927 57.927 58.839 -0.912 25786 2803 1 7 . 1 1 56 56 MET CB C 56 31.317 31.317 32.250 -0.933 25786 2804 1 7 . 1 1 56 56 MET H H 56 7.875 7.875 8.288 -0.413 25786 2805 1 7 . 1 1 57 57 ARG N N 57 119.532 119.532 119.816 -0.284 25786 2806 1 7 . 1 1 57 57 ARG HA H 57 4.096 4.096 4.141 -0.045 25786 2807 1 7 . 1 1 57 57 ARG C C 57 180.458 180.458 178.758 1.700 25786 2808 1 7 . 1 1 57 57 ARG CA C 57 59.770 59.770 59.116 0.654 25786 2809 1 7 . 1 1 57 57 ARG CB C 57 29.520 29.520 29.269 0.251 25786 2810 1 7 . 1 1 57 57 ARG H H 57 7.609 7.609 8.502 -0.893 25786 2811 1 7 . 1 1 58 58 TRP N N 58 121.820 121.820 121.288 0.532 25786 2812 1 7 . 1 1 58 58 TRP HA H 58 4.465 4.465 4.524 -0.059 25786 2813 1 7 . 1 1 58 58 TRP C C 58 177.973 177.973 178.705 -0.732 25786 2814 1 7 . 1 1 58 58 TRP CA C 58 61.063 61.063 59.159 1.904 25786 2815 1 7 . 1 1 58 58 TRP CB C 58 28.348 28.348 29.719 -1.371 25786 2816 1 7 . 1 1 58 58 TRP H H 58 8.207 8.207 8.061 0.146 25786 2817 1 7 . 1 1 59 59 LEU N N 59 121.654 121.654 120.983 0.671 25786 2818 1 7 . 1 1 59 59 LEU HA H 59 4.274 4.274 4.109 0.165 25786 2819 1 7 . 1 1 59 59 LEU C C 59 178.823 178.823 178.652 0.171 25786 2820 1 7 . 1 1 59 59 LEU CA C 59 59.044 59.044 58.134 0.910 25786 2821 1 7 . 1 1 59 59 LEU CB C 59 40.851 40.851 41.035 -0.184 25786 2822 1 7 . 1 1 59 59 LEU H H 59 8.599 8.599 8.545 0.054 25786 2823 1 7 . 1 1 60 60 HIS N N 60 116.952 116.952 118.779 -1.827 25786 2824 1 7 . 1 1 60 60 HIS HA H 60 4.389 4.389 4.215 0.174 25786 2825 1 7 . 1 1 60 60 HIS C C 60 177.635 177.635 177.131 0.504 25786 2826 1 7 . 1 1 60 60 HIS CA C 60 59.755 59.755 60.519 -0.764 25786 2827 1 7 . 1 1 60 60 HIS CB C 60 30.083 30.083 30.146 -0.063 25786 2828 1 7 . 1 1 60 60 HIS H H 60 7.909 7.909 8.744 -0.835 25786 2829 1 7 . 1 1 61 61 TRP N N 61 123.194 123.194 121.569 1.625 25786 2830 1 7 . 1 1 61 61 TRP HA H 61 4.032 4.032 4.165 -0.133 25786 2831 1 7 . 1 1 61 61 TRP C C 61 179.298 179.298 177.742 1.556 25786 2832 1 7 . 1 1 61 61 TRP CA C 61 62.541 62.541 61.312 1.229 25786 2833 1 7 . 1 1 61 61 TRP CB C 61 28.839 28.839 29.017 -0.178 25786 2834 1 7 . 1 1 61 61 TRP H H 61 8.142 8.142 7.723 0.419 25786 2835 1 7 . 1 1 62 62 PHE N N 62 120.038 120.038 116.359 3.679 25786 2836 1 7 . 1 1 62 62 PHE HA H 62 4.205 4.205 3.655 0.550 25786 2837 1 7 . 1 1 62 62 PHE C C 62 179.080 179.080 177.900 1.180 25786 2838 1 7 . 1 1 62 62 PHE CA C 62 63.629 63.629 61.987 1.642 25786 2839 1 7 . 1 1 62 62 PHE CB C 62 38.664 38.664 38.319 0.345 25786 2840 1 7 . 1 1 62 62 PHE H H 62 9.447 9.447 8.062 1.385 25786 2841 1 7 . 1 1 63 63 ARG N N 63 118.560 118.560 120.524 -1.964 25786 2842 1 7 . 1 1 63 63 ARG HA H 63 4.258 4.258 4.060 0.198 25786 2843 1 7 . 1 1 63 63 ARG C C 63 181.328 181.328 179.073 2.255 25786 2844 1 7 . 1 1 63 63 ARG CA C 63 59.257 59.257 58.627 0.630 25786 2845 1 7 . 1 1 63 63 ARG CB C 63 29.697 29.697 30.090 -0.393 25786 2846 1 7 . 1 1 63 63 ARG H H 63 8.665 8.665 8.777 -0.112 25786 2847 1 7 . 1 1 64 64 LYS N N 64 122.759 122.759 117.417 5.342 25786 2848 1 7 . 1 1 64 64 LYS HA H 64 4.019 4.019 4.152 -0.133 25786 2849 1 7 . 1 1 64 64 LYS C C 64 177.595 177.595 176.968 0.627 25786 2850 1 7 . 1 1 64 64 LYS CA C 64 58.651 58.651 57.693 0.958 25786 2851 1 7 . 1 1 64 64 LYS CB C 64 31.510 31.510 32.029 -0.519 25786 2852 1 7 . 1 1 64 64 LYS H H 64 8.690 8.690 8.125 0.565 25786 2853 1 7 . 1 1 65 65 ASN N N 65 115.681 115.681 116.037 -0.356 25786 2854 1 7 . 1 1 65 65 ASN HA H 65 4.532 4.532 4.632 -0.100 25786 2855 1 7 . 1 1 65 65 ASN C C 65 173.405 173.405 174.870 -1.465 25786 2856 1 7 . 1 1 65 65 ASN CA C 65 53.685 53.685 52.571 1.114 25786 2857 1 7 . 1 1 65 65 ASN CB C 65 39.038 39.038 38.770 0.268 25786 2858 1 7 . 1 1 65 65 ASN H H 65 7.246 7.246 7.750 -0.504 25786 2859 1 7 . 1 1 66 66 GLY N N 66 105.186 105.186 106.985 -1.799 25786 2860 1 7 . 1 1 66 66 GLY C C 66 173.869 173.869 174.397 -0.528 25786 2861 1 7 . 1 1 66 66 GLY CA C 66 45.539 45.539 45.187 0.353 25786 2862 1 7 . 1 1 66 66 GLY H H 66 7.603 7.603 7.520 0.083 25786 2863 1 7 . 1 1 67 67 TYR N N 67 119.699 119.699 120.405 -0.706 25786 2864 1 7 . 1 1 67 67 TYR HA H 67 4.542 4.542 4.240 0.302 25786 2865 1 7 . 1 1 67 67 TYR C C 67 175.838 175.838 175.613 0.225 25786 2866 1 7 . 1 1 67 67 TYR CA C 67 57.858 57.858 60.107 -2.249 25786 2867 1 7 . 1 1 67 67 TYR CB C 67 38.564 38.564 39.069 -0.505 25786 2868 1 7 . 1 1 67 67 TYR H H 67 8.248 8.248 7.714 0.534 25786 2869 1 7 . 1 1 68 68 ARG N N 68 125.588 125.588 125.302 0.286 25786 2870 1 7 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.505 -0.116 25786 2871 1 7 . 1 1 68 68 ARG C C 68 174.479 174.479 174.181 0.298 25786 2872 1 7 . 1 1 68 68 ARG CA C 68 55.649 55.649 55.509 0.140 25786 2873 1 7 . 1 1 68 68 ARG CB C 68 28.357 28.357 29.609 -1.252 25786 2874 1 7 . 1 1 68 68 ARG H H 68 8.550 8.550 8.466 0.084 25786 2875 1 7 . 1 1 69 69 LEU N N 69 122.034 122.034 119.657 2.377 25786 2876 1 7 . 1 1 69 69 LEU HA H 69 4.711 4.711 4.579 0.132 25786 2877 1 7 . 1 1 69 69 LEU C C 69 175.630 175.630 175.390 0.240 25786 2878 1 7 . 1 1 69 69 LEU CA C 69 53.367 53.367 53.844 -0.477 25786 2879 1 7 . 1 1 69 69 LEU CB C 69 44.286 44.286 44.155 0.131 25786 2880 1 7 . 1 1 69 69 LEU H H 69 7.421 7.421 7.682 -0.261 25786 2881 1 7 . 1 1 70 70 THR N N 70 109.789 109.789 115.089 -5.300 25786 2882 1 7 . 1 1 70 70 THR HA H 70 4.721 4.721 4.498 0.223 25786 2883 1 7 . 1 1 70 70 THR C C 70 174.636 174.636 175.964 -1.328 25786 2884 1 7 . 1 1 70 70 THR CA C 70 59.377 59.377 61.049 -1.672 25786 2885 1 7 . 1 1 70 70 THR CB C 70 72.180 72.180 70.114 2.067 25786 2886 1 7 . 1 1 70 70 THR H H 70 8.163 8.163 7.848 0.315 25786 2887 1 7 . 1 1 71 71 LEU N N 71 122.563 122.563 125.326 -2.763 25786 2888 1 7 . 1 1 71 71 LEU HA H 71 3.885 3.885 3.896 -0.011 25786 2889 1 7 . 1 1 71 71 LEU C C 71 178.632 178.632 177.936 0.696 25786 2890 1 7 . 1 1 71 71 LEU CA C 71 58.196 58.196 58.300 -0.104 25786 2891 1 7 . 1 1 71 71 LEU CB C 71 41.940 41.940 42.132 -0.192 25786 2892 1 7 . 1 1 71 71 LEU H H 71 8.825 8.825 8.858 -0.033 25786 2893 1 7 . 1 1 72 72 ARG N N 72 115.949 115.949 117.720 -1.771 25786 2894 1 7 . 1 1 72 72 ARG HA H 72 3.876 3.876 4.085 -0.209 25786 2895 1 7 . 1 1 72 72 ARG C C 72 178.893 178.893 177.889 1.004 25786 2896 1 7 . 1 1 72 72 ARG CA C 72 59.147 59.147 59.580 -0.433 25786 2897 1 7 . 1 1 72 72 ARG CB C 72 29.631 29.631 29.676 -0.045 25786 2898 1 7 . 1 1 72 72 ARG H H 72 8.244 8.244 8.332 -0.087 25786 2899 1 7 . 1 1 73 73 GLU N N 73 117.665 117.665 118.919 -1.254 25786 2900 1 7 . 1 1 73 73 GLU HA H 73 3.951 3.951 4.065 -0.114 25786 2901 1 7 . 1 1 73 73 GLU C C 73 178.762 178.762 179.080 -0.318 25786 2902 1 7 . 1 1 73 73 GLU CA C 73 59.092 59.092 59.017 0.074 25786 2903 1 7 . 1 1 73 73 GLU CB C 73 29.739 29.739 28.893 0.846 25786 2904 1 7 . 1 1 73 73 GLU H H 73 7.461 7.461 7.642 -0.181 25786 2905 1 7 . 1 1 74 74 LEU N N 74 117.724 117.724 119.382 -1.658 25786 2906 1 7 . 1 1 74 74 LEU HA H 74 3.898 3.898 4.148 -0.250 25786 2907 1 7 . 1 1 74 74 LEU C C 74 179.355 179.355 179.933 -0.578 25786 2908 1 7 . 1 1 74 74 LEU CA C 74 57.469 57.469 57.567 -0.098 25786 2909 1 7 . 1 1 74 74 LEU CB C 74 41.619 41.619 41.115 0.504 25786 2910 1 7 . 1 1 74 74 LEU H H 74 7.413 7.413 7.369 0.044 25786 2911 1 7 . 1 1 75 75 TYR N N 75 114.976 114.976 118.923 -3.947 25786 2912 1 7 . 1 1 75 75 TYR HA H 75 4.054 4.054 4.345 -0.291 25786 2913 1 7 . 1 1 75 75 TYR C C 75 176.656 176.656 177.308 -0.652 25786 2914 1 7 . 1 1 75 75 TYR CA C 75 60.638 60.638 60.639 -0.001 25786 2915 1 7 . 1 1 75 75 TYR CB C 75 39.688 39.688 37.993 1.695 25786 2916 1 7 . 1 1 75 75 TYR H H 75 8.086 8.086 7.560 0.526 25786 2917 1 7 . 1 1 76 76 ALA N N 76 119.116 119.116 120.725 -1.609 25786 2918 1 7 . 1 1 76 76 ALA HA H 76 4.052 4.052 4.250 -0.198 25786 2919 1 7 . 1 1 76 76 ALA C C 76 178.156 178.156 177.584 0.572 25786 2920 1 7 . 1 1 76 76 ALA CA C 76 54.468 54.468 53.644 0.824 25786 2921 1 7 . 1 1 76 76 ALA CB C 76 18.535 18.535 19.719 -1.184 25786 2922 1 7 . 1 1 76 76 ALA H H 76 7.776 7.776 7.772 0.004 25786 2923 1 7 . 1 1 77 77 ALA N N 77 116.862 116.862 119.877 -3.015 25786 2924 1 7 . 1 1 77 77 ALA C C 77 173.737 173.737 174.479 -0.742 25786 2925 1 7 . 1 1 77 77 ALA CA C 77 49.713 49.713 49.755 -0.042 25786 2926 1 7 . 1 1 77 77 ALA CB C 77 19.226 19.226 19.946 -0.720 25786 2927 1 7 . 1 1 77 77 ALA H H 77 6.706 6.706 7.952 -1.246 25786 2928 1 7 . 1 1 78 78 PRO HA H 78 5.018 5.018 4.898 0.120 25786 2929 1 7 . 1 1 78 78 PRO CA C 78 61.523 61.523 62.703 -1.180 25786 2930 1 7 . 1 1 78 78 PRO CB C 78 28.845 28.845 30.066 -1.221 25786 2931 1 7 . 1 1 79 79 THR N N 79 111.947 111.947 112.586 -0.639 25786 2932 1 7 . 1 1 79 79 THR HA H 79 4.396 4.396 4.962 -0.566 25786 2933 1 7 . 1 1 79 79 THR C C 79 173.000 173.000 174.509 -1.509 25786 2934 1 7 . 1 1 79 79 THR CA C 79 58.059 58.059 59.087 -1.028 25786 2935 1 7 . 1 1 79 79 THR CB C 79 72.247 72.247 72.742 -0.494 25786 2936 1 7 . 1 1 79 79 THR H H 79 7.664 7.664 7.312 0.352 25786 2937 1 7 . 1 1 80 80 LEU N N 80 123.227 123.227 123.242 -0.015 25786 2938 1 7 . 1 1 80 80 LEU HA H 80 3.747 3.747 4.019 -0.272 25786 2939 1 7 . 1 1 80 80 LEU C C 80 179.028 179.028 178.099 0.929 25786 2940 1 7 . 1 1 80 80 LEU CA C 80 58.209 58.209 56.742 1.467 25786 2941 1 7 . 1 1 80 80 LEU CB C 80 41.579 41.579 41.123 0.456 25786 2942 1 7 . 1 1 80 80 LEU H H 80 9.609 9.609 8.581 1.028 25786 2943 1 7 . 1 1 81 81 ALA N N 81 119.663 119.663 122.158 -2.495 25786 2944 1 7 . 1 1 81 81 ALA HA H 81 4.141 4.141 3.951 0.190 25786 2945 1 7 . 1 1 81 81 ALA C C 81 181.038 181.038 179.037 2.001 25786 2946 1 7 . 1 1 81 81 ALA CA C 81 54.876 54.876 55.232 -0.356 25786 2947 1 7 . 1 1 81 81 ALA CB C 81 18.428 18.428 18.046 0.382 25786 2948 1 7 . 1 1 81 81 ALA H H 81 8.831 8.831 8.308 0.523 25786 2949 1 7 . 1 1 82 82 ALA N N 82 122.181 122.181 121.592 0.589 25786 2950 1 7 . 1 1 82 82 ALA HA H 82 4.225 4.225 4.380 -0.155 25786 2951 1 7 . 1 1 82 82 ALA C C 82 181.868 181.868 179.909 1.959 25786 2952 1 7 . 1 1 82 82 ALA CA C 82 54.808 54.808 54.519 0.289 25786 2953 1 7 . 1 1 82 82 ALA CB C 82 19.088 19.088 18.479 0.609 25786 2954 1 7 . 1 1 82 82 ALA H H 82 8.272 8.272 7.511 0.761 25786 2955 1 7 . 1 1 83 83 TRP N N 83 123.399 123.399 119.407 3.992 25786 2956 1 7 . 1 1 83 83 TRP HA H 83 4.543 4.543 4.218 0.325 25786 2957 1 7 . 1 1 83 83 TRP C C 83 178.633 178.633 178.695 -0.062 25786 2958 1 7 . 1 1 83 83 TRP CA C 83 59.562 59.562 59.122 0.440 25786 2959 1 7 . 1 1 83 83 TRP CB C 83 28.301 28.301 28.467 -0.166 25786 2960 1 7 . 1 1 83 83 TRP H H 83 9.378 9.378 8.078 1.300 25786 2961 1 7 . 1 1 84 84 ASN N N 84 118.250 118.250 117.062 1.188 25786 2962 1 7 . 1 1 84 84 ASN HA H 84 4.616 4.616 4.323 0.293 25786 2963 1 7 . 1 1 84 84 ASN C C 84 177.231 177.231 177.724 -0.493 25786 2964 1 7 . 1 1 84 84 ASN CA C 84 57.096 57.096 55.765 1.331 25786 2965 1 7 . 1 1 84 84 ASN CB C 84 39.229 39.229 37.896 1.333 25786 2966 1 7 . 1 1 84 84 ASN H H 84 9.136 9.136 8.338 0.798 25786 2967 1 7 . 1 1 85 85 GLN N N 85 116.261 116.261 119.002 -2.741 25786 2968 1 7 . 1 1 85 85 GLN HA H 85 4.011 4.011 4.011 0.000 25786 2969 1 7 . 1 1 85 85 GLN C C 85 179.455 179.455 178.532 0.923 25786 2970 1 7 . 1 1 85 85 GLN CA C 85 58.748 58.748 58.671 0.077 25786 2971 1 7 . 1 1 85 85 GLN CB C 85 27.840 27.840 28.854 -1.014 25786 2972 1 7 . 1 1 85 85 GLN H H 85 7.511 7.511 7.841 -0.330 25786 2973 1 7 . 1 1 86 86 LEU N N 86 121.554 121.554 117.544 4.010 25786 2974 1 7 . 1 1 86 86 LEU HA H 86 4.041 4.041 3.998 0.043 25786 2975 1 7 . 1 1 86 86 LEU C C 86 179.171 179.171 178.703 0.468 25786 2976 1 7 . 1 1 86 86 LEU CA C 86 57.804 57.804 56.868 0.936 25786 2977 1 7 . 1 1 86 86 LEU CB C 86 41.915 41.915 41.402 0.513 25786 2978 1 7 . 1 1 86 86 LEU H H 86 8.172 8.172 8.240 -0.068 25786 2979 1 7 . 1 1 87 87 MET N N 87 117.874 117.874 117.191 0.683 25786 2980 1 7 . 1 1 87 87 MET HA H 87 3.752 3.752 4.231 -0.479 25786 2981 1 7 . 1 1 87 87 MET C C 87 178.221 178.221 177.992 0.229 25786 2982 1 7 . 1 1 87 87 MET CA C 87 59.481 59.481 59.617 -0.136 25786 2983 1 7 . 1 1 87 87 MET CB C 87 34.875 34.875 33.569 1.306 25786 2984 1 7 . 1 1 87 87 MET H H 87 8.197 8.197 7.524 0.673 25786 2985 1 7 . 1 1 88 88 LEU N N 88 117.598 117.598 114.413 3.185 25786 2986 1 7 . 1 1 88 88 LEU HA H 88 4.054 4.054 4.863 -0.809 25786 2987 1 7 . 1 1 88 88 LEU C C 88 179.237 179.237 178.887 0.350 25786 2988 1 7 . 1 1 88 88 LEU CA C 88 57.076 57.076 57.328 -0.252 25786 2989 1 7 . 1 1 88 88 LEU CB C 88 42.395 42.395 42.813 -0.418 25786 2990 1 7 . 1 1 88 88 LEU H H 88 7.902 7.902 7.774 0.128 25786 2991 1 7 . 1 1 89 89 SER N N 89 113.195 113.195 115.409 -2.214 25786 2992 1 7 . 1 1 89 89 SER HA H 89 4.038 4.038 4.312 -0.274 25786 2993 1 7 . 1 1 89 89 SER C C 89 175.090 175.090 175.785 -0.695 25786 2994 1 7 . 1 1 89 89 SER CA C 89 59.901 59.901 61.201 -1.300 25786 2995 1 7 . 1 1 89 89 SER CB C 89 63.834 63.834 62.768 1.066 25786 2996 1 7 . 1 1 89 89 SER H H 89 7.958 7.958 7.979 -0.021 25786 2997 1 7 . 1 1 90 90 ARG N N 90 122.031 122.031 120.359 1.672 25786 2998 1 7 . 1 1 90 90 ARG HA H 90 4.701 4.701 4.326 0.375 25786 2999 1 7 . 1 1 90 90 ARG C C 90 175.695 175.695 175.919 -0.224 25786 3000 1 7 . 1 1 90 90 ARG CA C 90 53.905 53.905 57.259 -3.354 25786 3001 1 7 . 1 1 90 90 ARG CB C 90 29.631 29.631 31.246 -1.615 25786 3002 1 7 . 1 1 90 90 ARG H H 90 7.923 7.923 7.832 0.091 25786 3003 1 7 . 1 1 91 91 SER N N 91 117.191 117.191 109.349 7.842 25786 3004 1 7 . 1 1 91 91 SER C C 91 172.914 172.914 171.765 1.149 25786 3005 1 7 . 1 1 91 91 SER CA C 91 57.104 57.104 61.337 -4.233 25786 3006 1 7 . 1 1 91 91 SER CB C 91 63.437 63.437 60.653 2.784 25786 3007 1 7 . 1 1 91 91 SER H H 91 7.752 7.752 8.200 -0.448 25786 3008 1 7 . 1 1 92 92 PRO HA H 92 4.420 4.420 4.717 -0.297 25786 3009 1 7 . 1 1 92 92 PRO CA C 92 63.414 63.414 61.843 1.571 25786 3010 1 7 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.715 -0.820 25786 3011 1 8 . 1 1 15 15 ASN N N 15 119.857 119.857 117.963 1.894 25786 3012 1 8 . 1 1 15 15 ASN HA H 15 4.719 4.719 4.874 -0.155 25786 3013 1 8 . 1 1 15 15 ASN C C 15 175.735 175.735 174.310 1.425 25786 3014 1 8 . 1 1 15 15 ASN CA C 15 53.556 53.556 52.894 0.662 25786 3015 1 8 . 1 1 15 15 ASN CB C 15 38.731 38.731 40.034 -1.303 25786 3016 1 8 . 1 1 15 15 ASN H H 15 8.425 8.425 8.440 -0.015 25786 3017 1 8 . 1 1 16 16 ARG N N 16 122.030 122.030 118.116 3.914 25786 3018 1 8 . 1 1 16 16 ARG HA H 16 4.211 4.211 3.766 0.445 25786 3019 1 8 . 1 1 16 16 ARG C C 16 176.669 176.669 177.033 -0.364 25786 3020 1 8 . 1 1 16 16 ARG CA C 16 57.735 57.735 58.067 -0.332 25786 3021 1 8 . 1 1 16 16 ARG CB C 16 30.224 30.224 29.087 1.137 25786 3022 1 8 . 1 1 16 16 ARG H H 16 8.347 8.347 8.146 0.201 25786 3023 1 8 . 1 1 17 17 HIS N N 17 118.590 118.590 119.775 -1.185 25786 3024 1 8 . 1 1 17 17 HIS HA H 17 4.563 4.563 4.396 0.167 25786 3025 1 8 . 1 1 17 17 HIS C C 17 176.284 176.284 177.167 -0.883 25786 3026 1 8 . 1 1 17 17 HIS CA C 17 58.394 58.394 59.345 -0.951 25786 3027 1 8 . 1 1 17 17 HIS CB C 17 30.362 30.362 29.713 0.649 25786 3028 1 8 . 1 1 17 17 HIS H H 17 8.395 8.395 8.343 0.052 25786 3029 1 8 . 1 1 18 18 ALA N N 18 122.047 122.047 122.006 0.041 25786 3030 1 8 . 1 1 18 18 ALA HA H 18 4.182 4.182 4.354 -0.172 25786 3031 1 8 . 1 1 18 18 ALA C C 18 180.003 180.003 178.593 1.410 25786 3032 1 8 . 1 1 18 18 ALA CA C 18 54.294 54.294 54.082 0.212 25786 3033 1 8 . 1 1 18 18 ALA CB C 18 18.849 18.849 17.962 0.887 25786 3034 1 8 . 1 1 18 18 ALA H H 18 8.436 8.436 8.132 0.304 25786 3035 1 8 . 1 1 19 19 ALA N N 19 122.607 122.607 121.242 1.365 25786 3036 1 8 . 1 1 19 19 ALA HA H 19 4.275 4.275 4.229 0.046 25786 3037 1 8 . 1 1 19 19 ALA C C 19 180.295 180.295 179.253 1.042 25786 3038 1 8 . 1 1 19 19 ALA CA C 19 55.040 55.040 54.483 0.557 25786 3039 1 8 . 1 1 19 19 ALA CB C 19 18.267 18.267 18.798 -0.531 25786 3040 1 8 . 1 1 19 19 ALA H H 19 8.402 8.402 8.208 0.194 25786 3041 1 8 . 1 1 20 20 ASP N N 20 118.796 118.796 119.196 -0.400 25786 3042 1 8 . 1 1 20 20 ASP HA H 20 4.837 4.837 4.631 0.206 25786 3043 1 8 . 1 1 20 20 ASP C C 20 177.313 177.313 177.386 -0.073 25786 3044 1 8 . 1 1 20 20 ASP CA C 20 56.725 56.725 56.123 0.602 25786 3045 1 8 . 1 1 20 20 ASP CB C 20 40.189 40.189 40.886 -0.697 25786 3046 1 8 . 1 1 20 20 ASP H H 20 8.317 8.317 8.132 0.185 25786 3047 1 8 . 1 1 21 21 TYR N N 21 120.958 120.958 121.154 -0.196 25786 3048 1 8 . 1 1 21 21 TYR HA H 21 4.058 4.058 4.324 -0.266 25786 3049 1 8 . 1 1 21 21 TYR C C 21 176.282 176.282 177.360 -1.078 25786 3050 1 8 . 1 1 21 21 TYR CA C 21 61.892 61.892 61.379 0.513 25786 3051 1 8 . 1 1 21 21 TYR CB C 21 38.655 38.655 38.436 0.219 25786 3052 1 8 . 1 1 21 21 TYR H H 21 8.679 8.679 7.626 1.053 25786 3053 1 8 . 1 1 22 22 GLN N N 22 117.715 117.715 118.539 -0.824 25786 3054 1 8 . 1 1 22 22 GLN HA H 22 3.826 3.826 4.018 -0.192 25786 3055 1 8 . 1 1 22 22 GLN C C 22 178.197 178.197 178.177 0.020 25786 3056 1 8 . 1 1 22 22 GLN CA C 22 59.110 59.110 59.515 -0.405 25786 3057 1 8 . 1 1 22 22 GLN CB C 22 27.430 27.430 27.811 -0.382 25786 3058 1 8 . 1 1 22 22 GLN H H 22 8.236 8.236 7.988 0.248 25786 3059 1 8 . 1 1 23 23 GLN N N 23 118.526 118.526 117.846 0.680 25786 3060 1 8 . 1 1 23 23 GLN HA H 23 4.100 4.100 4.148 -0.048 25786 3061 1 8 . 1 1 23 23 GLN C C 23 177.521 177.521 178.895 -1.374 25786 3062 1 8 . 1 1 23 23 GLN CA C 23 58.915 58.915 58.346 0.569 25786 3063 1 8 . 1 1 23 23 GLN CB C 23 29.032 29.032 28.021 1.011 25786 3064 1 8 . 1 1 23 23 GLN H H 23 8.003 8.003 7.750 0.253 25786 3065 1 8 . 1 1 24 24 LEU N N 24 121.914 121.914 122.430 -0.516 25786 3066 1 8 . 1 1 24 24 LEU HA H 24 3.444 3.444 3.870 -0.426 25786 3067 1 8 . 1 1 24 24 LEU C C 24 176.882 176.882 178.386 -1.504 25786 3068 1 8 . 1 1 24 24 LEU CA C 24 58.115 58.115 58.059 0.056 25786 3069 1 8 . 1 1 24 24 LEU CB C 24 41.704 41.704 41.952 -0.248 25786 3070 1 8 . 1 1 24 24 LEU H H 24 8.031 8.031 8.749 -0.718 25786 3071 1 8 . 1 1 25 25 ARG N N 25 116.645 116.645 118.807 -2.162 25786 3072 1 8 . 1 1 25 25 ARG HA H 25 3.395 3.395 3.650 -0.255 25786 3073 1 8 . 1 1 25 25 ARG C C 25 177.469 177.469 178.168 -0.699 25786 3074 1 8 . 1 1 25 25 ARG CA C 25 60.246 60.246 59.746 0.500 25786 3075 1 8 . 1 1 25 25 ARG CB C 25 29.925 29.925 29.725 0.200 25786 3076 1 8 . 1 1 25 25 ARG H H 25 7.981 7.981 8.319 -0.338 25786 3077 1 8 . 1 1 26 26 GLU N N 26 115.943 115.943 118.888 -2.945 25786 3078 1 8 . 1 1 26 26 GLU HA H 26 3.832 3.832 3.979 -0.147 25786 3079 1 8 . 1 1 26 26 GLU C C 26 179.682 179.682 178.896 0.786 25786 3080 1 8 . 1 1 26 26 GLU CA C 26 59.517 59.517 59.539 -0.022 25786 3081 1 8 . 1 1 26 26 GLU CB C 26 29.439 29.439 29.593 -0.154 25786 3082 1 8 . 1 1 26 26 GLU H H 26 8.160 8.160 8.381 -0.221 25786 3083 1 8 . 1 1 27 27 ARG N N 27 118.766 118.766 119.526 -0.760 25786 3084 1 8 . 1 1 27 27 ARG HA H 27 4.144 4.144 4.100 0.044 25786 3085 1 8 . 1 1 27 27 ARG C C 27 179.241 179.241 178.705 0.536 25786 3086 1 8 . 1 1 27 27 ARG CA C 27 58.855 58.855 58.922 -0.067 25786 3087 1 8 . 1 1 27 27 ARG CB C 27 29.996 29.996 30.051 -0.055 25786 3088 1 8 . 1 1 27 27 ARG H H 27 8.283 8.283 8.049 0.234 25786 3089 1 8 . 1 1 28 28 LEU N N 28 122.077 122.077 120.990 1.087 25786 3090 1 8 . 1 1 28 28 LEU HA H 28 4.106 4.106 4.147 -0.041 25786 3091 1 8 . 1 1 28 28 LEU C C 28 178.766 178.766 179.076 -0.310 25786 3092 1 8 . 1 1 28 28 LEU CA C 28 58.558 58.558 58.200 0.358 25786 3093 1 8 . 1 1 28 28 LEU CB C 28 42.514 42.514 41.578 0.936 25786 3094 1 8 . 1 1 28 28 LEU H H 28 8.389 8.389 8.362 0.027 25786 3095 1 8 . 1 1 29 29 ILE N N 29 117.586 117.586 119.049 -1.463 25786 3096 1 8 . 1 1 29 29 ILE HA H 29 3.339 3.339 3.526 -0.187 25786 3097 1 8 . 1 1 29 29 ILE C C 29 177.927 177.927 178.234 -0.307 25786 3098 1 8 . 1 1 29 29 ILE CA C 29 66.203 66.203 65.690 0.513 25786 3099 1 8 . 1 1 29 29 ILE CB C 29 37.823 37.823 37.591 0.232 25786 3100 1 8 . 1 1 29 29 ILE H H 29 7.914 7.914 7.937 -0.023 25786 3101 1 8 . 1 1 30 30 GLN N N 30 116.395 116.395 117.741 -1.346 25786 3102 1 8 . 1 1 30 30 GLN HA H 30 4.157 4.157 4.025 0.132 25786 3103 1 8 . 1 1 30 30 GLN C C 30 179.400 179.400 178.424 0.976 25786 3104 1 8 . 1 1 30 30 GLN CA C 30 58.410 58.410 58.610 -0.200 25786 3105 1 8 . 1 1 30 30 GLN CB C 30 28.804 28.804 28.756 0.048 25786 3106 1 8 . 1 1 30 30 GLN H H 30 7.287 7.287 7.468 -0.181 25786 3107 1 8 . 1 1 31 31 GLU N N 31 120.336 120.336 119.469 0.867 25786 3108 1 8 . 1 1 31 31 GLU HA H 31 4.023 4.023 4.080 -0.057 25786 3109 1 8 . 1 1 31 31 GLU C C 31 178.395 178.395 178.927 -0.532 25786 3110 1 8 . 1 1 31 31 GLU CA C 31 59.377 59.377 59.392 -0.015 25786 3111 1 8 . 1 1 31 31 GLU CB C 31 30.436 30.436 30.123 0.313 25786 3112 1 8 . 1 1 31 31 GLU H H 31 8.814 8.814 8.577 0.237 25786 3113 1 8 . 1 1 32 32 LEU N N 32 115.139 115.139 116.448 -1.309 25786 3114 1 8 . 1 1 32 32 LEU HA H 32 4.377 4.377 4.544 -0.167 25786 3115 1 8 . 1 1 32 32 LEU C C 32 176.033 176.033 177.061 -1.028 25786 3116 1 8 . 1 1 32 32 LEU CA C 32 54.101 54.101 54.855 -0.753 25786 3117 1 8 . 1 1 32 32 LEU CB C 32 41.354 41.354 42.211 -0.857 25786 3118 1 8 . 1 1 32 32 LEU H H 32 8.109 8.109 8.449 -0.340 25786 3119 1 8 . 1 1 33 33 ASN N N 33 116.751 116.751 115.577 1.174 25786 3120 1 8 . 1 1 33 33 ASN HA H 33 4.453 4.453 4.392 0.061 25786 3121 1 8 . 1 1 33 33 ASN C C 33 174.288 174.288 174.315 -0.027 25786 3122 1 8 . 1 1 33 33 ASN CA C 33 54.024 54.024 53.890 0.134 25786 3123 1 8 . 1 1 33 33 ASN CB C 33 36.929 36.929 37.217 -0.288 25786 3124 1 8 . 1 1 33 33 ASN H H 33 7.796 7.796 7.668 0.128 25786 3125 1 8 . 1 1 34 34 LEU N N 34 117.139 117.139 118.563 -1.424 25786 3126 1 8 . 1 1 34 34 LEU HA H 34 4.787 4.787 4.599 0.188 25786 3127 1 8 . 1 1 34 34 LEU C C 34 176.521 176.521 175.844 0.677 25786 3128 1 8 . 1 1 34 34 LEU CA C 34 53.079 53.079 54.355 -1.276 25786 3129 1 8 . 1 1 34 34 LEU CB C 34 44.673 44.673 43.608 1.065 25786 3130 1 8 . 1 1 34 34 LEU H H 34 7.728 7.728 8.047 -0.319 25786 3131 1 8 . 1 1 35 35 THR N N 35 110.751 110.751 108.371 2.380 25786 3132 1 8 . 1 1 35 35 THR HA H 35 4.803 4.803 4.808 -0.005 25786 3133 1 8 . 1 1 35 35 THR C C 35 174.438 174.438 174.466 -0.028 25786 3134 1 8 . 1 1 35 35 THR CA C 35 59.445 59.445 58.274 1.171 25786 3135 1 8 . 1 1 35 35 THR CB C 35 68.651 68.651 69.571 -0.920 25786 3136 1 8 . 1 1 35 35 THR H H 35 8.001 8.001 8.036 -0.035 25786 3137 1 8 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.165 -0.088 25786 3138 1 8 . 1 1 36 36 PRO CA C 36 65.645 65.645 65.462 0.183 25786 3139 1 8 . 1 1 36 36 PRO CB C 36 31.632 31.632 31.808 -0.176 25786 3140 1 8 . 1 1 37 37 GLN N N 37 112.874 112.874 114.848 -1.974 25786 3141 1 8 . 1 1 37 37 GLN HA H 37 4.105 4.105 4.360 -0.255 25786 3142 1 8 . 1 1 37 37 GLN C C 37 176.960 176.960 177.498 -0.538 25786 3143 1 8 . 1 1 37 37 GLN CA C 37 57.891 57.891 57.165 0.726 25786 3144 1 8 . 1 1 37 37 GLN CB C 37 27.902 27.902 27.853 0.049 25786 3145 1 8 . 1 1 37 37 GLN H H 37 8.005 8.005 8.496 -0.491 25786 3146 1 8 . 1 1 38 38 GLN N N 38 116.477 116.477 120.345 -3.868 25786 3147 1 8 . 1 1 38 38 GLN HA H 38 4.187 4.187 4.271 -0.084 25786 3148 1 8 . 1 1 38 38 GLN C C 38 175.508 175.508 176.287 -0.779 25786 3149 1 8 . 1 1 38 38 GLN CA C 38 56.398 56.398 56.741 -0.343 25786 3150 1 8 . 1 1 38 38 GLN CB C 38 31.126 31.126 29.374 1.752 25786 3151 1 8 . 1 1 38 38 GLN H H 38 7.663 7.663 7.615 0.048 25786 3152 1 8 . 1 1 39 39 LEU N N 39 120.726 120.726 122.657 -1.931 25786 3153 1 8 . 1 1 39 39 LEU HA H 39 4.371 4.371 4.379 -0.008 25786 3154 1 8 . 1 1 39 39 LEU C C 39 174.277 174.277 175.077 -0.800 25786 3155 1 8 . 1 1 39 39 LEU CA C 39 53.959 53.959 53.640 0.319 25786 3156 1 8 . 1 1 39 39 LEU CB C 39 41.610 41.610 40.651 0.959 25786 3157 1 8 . 1 1 39 39 LEU H H 39 7.286 7.286 7.563 -0.277 25786 3158 1 8 . 1 1 40 40 HIS N N 40 124.680 124.680 123.333 1.347 25786 3159 1 8 . 1 1 40 40 HIS HA H 40 4.808 4.808 4.530 0.278 25786 3160 1 8 . 1 1 40 40 HIS C C 40 176.727 176.727 176.313 0.414 25786 3161 1 8 . 1 1 40 40 HIS CA C 40 54.762 54.762 56.218 -1.456 25786 3162 1 8 . 1 1 40 40 HIS CB C 40 31.521 31.521 32.171 -0.650 25786 3163 1 8 . 1 1 40 40 HIS H H 40 8.158 8.158 7.872 0.286 25786 3164 1 8 . 1 1 41 41 GLU HA H 41 4.029 4.029 3.796 0.233 25786 3165 1 8 . 1 1 42 42 GLU N N 42 113.813 113.813 116.766 -2.953 25786 3166 1 8 . 1 1 42 42 GLU HA H 42 4.547 4.547 4.336 0.211 25786 3167 1 8 . 1 1 42 42 GLU C C 42 176.680 176.680 175.946 0.734 25786 3168 1 8 . 1 1 42 42 GLU CA C 42 55.313 55.313 54.870 0.443 25786 3169 1 8 . 1 1 42 42 GLU CB C 42 29.165 29.165 28.127 1.038 25786 3170 1 8 . 1 1 42 42 GLU H H 42 8.808 8.808 7.847 0.961 25786 3171 1 8 . 1 1 43 43 SER N N 43 118.066 118.066 117.673 0.393 25786 3172 1 8 . 1 1 43 43 SER HA H 43 4.088 4.088 4.350 -0.262 25786 3173 1 8 . 1 1 43 43 SER C C 43 173.663 173.663 173.731 -0.068 25786 3174 1 8 . 1 1 43 43 SER CA C 43 60.156 60.156 59.012 1.144 25786 3175 1 8 . 1 1 43 43 SER CB C 43 62.827 62.827 63.746 -0.919 25786 3176 1 8 . 1 1 43 43 SER H H 43 7.485 7.485 7.603 -0.118 25786 3177 1 8 . 1 1 44 44 ASN N N 44 123.218 123.218 123.877 -0.659 25786 3178 1 8 . 1 1 44 44 ASN HA H 44 4.392 4.392 4.634 -0.242 25786 3179 1 8 . 1 1 44 44 ASN C C 44 176.926 176.926 176.330 0.596 25786 3180 1 8 . 1 1 44 44 ASN CA C 44 53.987 53.987 53.510 0.477 25786 3181 1 8 . 1 1 44 44 ASN CB C 44 38.433 38.433 38.445 -0.012 25786 3182 1 8 . 1 1 44 44 ASN H H 44 8.811 8.811 8.870 -0.059 25786 3183 1 8 . 1 1 45 45 LEU N N 45 128.735 128.735 126.054 2.681 25786 3184 1 8 . 1 1 45 45 LEU HA H 45 3.722 3.722 3.854 -0.132 25786 3185 1 8 . 1 1 45 45 LEU C C 45 178.143 178.143 179.012 -0.869 25786 3186 1 8 . 1 1 45 45 LEU CA C 45 57.149 57.149 57.431 -0.282 25786 3187 1 8 . 1 1 45 45 LEU CB C 45 42.250 42.250 41.571 0.679 25786 3188 1 8 . 1 1 45 45 LEU H H 45 9.385 9.385 8.614 0.771 25786 3189 1 8 . 1 1 46 46 ILE N N 46 119.379 119.379 119.165 0.214 25786 3190 1 8 . 1 1 46 46 ILE HA H 46 4.187 4.187 3.944 0.243 25786 3191 1 8 . 1 1 46 46 ILE C C 46 180.926 180.926 178.373 2.553 25786 3192 1 8 . 1 1 46 46 ILE CA C 46 63.814 63.814 64.924 -1.110 25786 3193 1 8 . 1 1 46 46 ILE CB C 46 36.709 36.709 37.722 -1.013 25786 3194 1 8 . 1 1 46 46 ILE H H 46 7.659 7.659 7.990 -0.331 25786 3195 1 8 . 1 1 47 47 GLN N N 47 121.737 121.737 119.448 2.289 25786 3196 1 8 . 1 1 47 47 GLN HA H 47 3.989 3.989 4.196 -0.207 25786 3197 1 8 . 1 1 47 47 GLN C C 47 177.739 177.739 176.226 1.513 25786 3198 1 8 . 1 1 47 47 GLN CA C 47 58.033 58.033 57.546 0.487 25786 3199 1 8 . 1 1 47 47 GLN CB C 47 27.985 27.985 28.872 -0.887 25786 3200 1 8 . 1 1 47 47 GLN H H 47 8.161 8.161 7.951 0.210 25786 3201 1 8 . 1 1 48 48 ALA N N 48 117.777 117.777 120.309 -2.532 25786 3202 1 8 . 1 1 48 48 ALA HA H 48 4.260 4.260 4.487 -0.227 25786 3203 1 8 . 1 1 48 48 ALA C C 48 176.582 176.582 176.925 -0.343 25786 3204 1 8 . 1 1 48 48 ALA CA C 48 52.710 52.710 51.871 0.839 25786 3205 1 8 . 1 1 48 48 ALA CB C 48 18.601 18.601 19.630 -1.029 25786 3206 1 8 . 1 1 48 48 ALA H H 48 7.448 7.448 7.351 0.097 25786 3207 1 8 . 1 1 49 49 GLY N N 49 102.932 102.932 106.988 -4.056 25786 3208 1 8 . 1 1 49 49 GLY C C 49 174.451 174.451 172.471 1.980 25786 3209 1 8 . 1 1 49 49 GLY CA C 49 44.967 44.967 44.805 0.162 25786 3210 1 8 . 1 1 49 49 GLY H H 49 7.445 7.445 7.602 -0.157 25786 3211 1 8 . 1 1 50 50 LEU N N 50 123.058 123.058 121.097 1.961 25786 3212 1 8 . 1 1 50 50 LEU HA H 50 4.257 4.257 4.919 -0.662 25786 3213 1 8 . 1 1 50 50 LEU C C 50 173.460 173.460 174.662 -1.202 25786 3214 1 8 . 1 1 50 50 LEU CA C 50 55.909 55.909 53.288 2.621 25786 3215 1 8 . 1 1 50 50 LEU CB C 50 41.454 41.454 44.635 -3.181 25786 3216 1 8 . 1 1 50 50 LEU H H 50 8.545 8.545 7.693 0.852 25786 3217 1 8 . 1 1 54 54 ARG N N 54 121.407 121.407 122.720 -1.313 25786 3218 1 8 . 1 1 54 54 ARG HA H 54 4.088 4.088 4.022 0.066 25786 3219 1 8 . 1 1 54 54 ARG C C 54 179.647 179.647 178.154 1.493 25786 3220 1 8 . 1 1 54 54 ARG CA C 54 59.615 59.615 59.542 0.073 25786 3221 1 8 . 1 1 54 54 ARG CB C 54 30.633 30.633 30.845 -0.212 25786 3222 1 8 . 1 1 54 54 ARG H H 54 8.412 8.412 8.906 -0.494 25786 3223 1 8 . 1 1 55 55 LEU N N 55 121.118 121.118 120.815 0.303 25786 3224 1 8 . 1 1 55 55 LEU HA H 55 4.332 4.332 4.367 -0.035 25786 3225 1 8 . 1 1 55 55 LEU C C 55 178.416 178.416 178.626 -0.210 25786 3226 1 8 . 1 1 55 55 LEU CA C 55 59.035 59.035 58.447 0.588 25786 3227 1 8 . 1 1 55 55 LEU CB C 55 41.718 41.718 41.249 0.469 25786 3228 1 8 . 1 1 55 55 LEU H H 55 9.050 9.050 8.476 0.574 25786 3229 1 8 . 1 1 56 56 MET N N 56 117.969 117.969 117.255 0.714 25786 3230 1 8 . 1 1 56 56 MET HA H 56 4.284 4.284 4.173 0.111 25786 3231 1 8 . 1 1 56 56 MET C C 56 178.301 178.301 178.044 0.257 25786 3232 1 8 . 1 1 56 56 MET CA C 56 57.927 57.927 58.951 -1.024 25786 3233 1 8 . 1 1 56 56 MET CB C 56 31.317 31.317 32.329 -1.012 25786 3234 1 8 . 1 1 56 56 MET H H 56 7.875 7.875 8.352 -0.477 25786 3235 1 8 . 1 1 57 57 ARG N N 57 119.532 119.532 118.847 0.685 25786 3236 1 8 . 1 1 57 57 ARG HA H 57 4.096 4.096 4.214 -0.118 25786 3237 1 8 . 1 1 57 57 ARG C C 57 180.458 180.458 178.820 1.638 25786 3238 1 8 . 1 1 57 57 ARG CA C 57 59.770 59.770 59.165 0.605 25786 3239 1 8 . 1 1 57 57 ARG CB C 57 29.520 29.520 29.071 0.449 25786 3240 1 8 . 1 1 57 57 ARG H H 57 7.609 7.609 8.343 -0.734 25786 3241 1 8 . 1 1 58 58 TRP N N 58 121.820 121.820 121.801 0.019 25786 3242 1 8 . 1 1 58 58 TRP HA H 58 4.465 4.465 4.397 0.068 25786 3243 1 8 . 1 1 58 58 TRP C C 58 177.973 177.973 178.655 -0.682 25786 3244 1 8 . 1 1 58 58 TRP CA C 58 61.063 61.063 61.003 0.060 25786 3245 1 8 . 1 1 58 58 TRP CB C 58 28.348 28.348 29.529 -1.181 25786 3246 1 8 . 1 1 58 58 TRP H H 58 8.207 8.207 8.342 -0.135 25786 3247 1 8 . 1 1 59 59 LEU N N 59 121.654 121.654 120.418 1.236 25786 3248 1 8 . 1 1 59 59 LEU HA H 59 4.274 4.274 4.102 0.172 25786 3249 1 8 . 1 1 59 59 LEU C C 59 178.823 178.823 178.826 -0.003 25786 3250 1 8 . 1 1 59 59 LEU CA C 59 59.044 59.044 58.220 0.824 25786 3251 1 8 . 1 1 59 59 LEU CB C 59 40.851 40.851 41.063 -0.212 25786 3252 1 8 . 1 1 59 59 LEU H H 59 8.599 8.599 8.387 0.212 25786 3253 1 8 . 1 1 60 60 HIS N N 60 116.952 116.952 118.653 -1.701 25786 3254 1 8 . 1 1 60 60 HIS HA H 60 4.389 4.389 4.224 0.165 25786 3255 1 8 . 1 1 60 60 HIS C C 60 177.635 177.635 177.145 0.490 25786 3256 1 8 . 1 1 60 60 HIS CA C 60 59.755 59.755 60.489 -0.734 25786 3257 1 8 . 1 1 60 60 HIS CB C 60 30.083 30.083 30.209 -0.126 25786 3258 1 8 . 1 1 60 60 HIS H H 60 7.909 7.909 8.751 -0.842 25786 3259 1 8 . 1 1 61 61 TRP N N 61 123.194 123.194 121.856 1.338 25786 3260 1 8 . 1 1 61 61 TRP HA H 61 4.032 4.032 4.082 -0.050 25786 3261 1 8 . 1 1 61 61 TRP C C 61 179.298 179.298 177.917 1.381 25786 3262 1 8 . 1 1 61 61 TRP CA C 61 62.541 62.541 61.302 1.239 25786 3263 1 8 . 1 1 61 61 TRP CB C 61 28.839 28.839 28.858 -0.019 25786 3264 1 8 . 1 1 61 61 TRP H H 61 8.142 8.142 7.810 0.332 25786 3265 1 8 . 1 1 62 62 PHE N N 62 120.038 120.038 116.708 3.330 25786 3266 1 8 . 1 1 62 62 PHE HA H 62 4.205 4.205 3.795 0.410 25786 3267 1 8 . 1 1 62 62 PHE C C 62 179.080 179.080 178.566 0.514 25786 3268 1 8 . 1 1 62 62 PHE CA C 62 63.629 63.629 61.982 1.647 25786 3269 1 8 . 1 1 62 62 PHE CB C 62 38.664 38.664 38.232 0.432 25786 3270 1 8 . 1 1 62 62 PHE H H 62 9.447 9.447 8.538 0.909 25786 3271 1 8 . 1 1 63 63 ARG N N 63 118.560 118.560 120.841 -2.281 25786 3272 1 8 . 1 1 63 63 ARG HA H 63 4.258 4.258 4.329 -0.071 25786 3273 1 8 . 1 1 63 63 ARG C C 63 181.328 181.328 179.161 2.167 25786 3274 1 8 . 1 1 63 63 ARG CA C 63 59.257 59.257 58.428 0.829 25786 3275 1 8 . 1 1 63 63 ARG CB C 63 29.697 29.697 30.054 -0.357 25786 3276 1 8 . 1 1 63 63 ARG H H 63 8.665 8.665 8.818 -0.153 25786 3277 1 8 . 1 1 64 64 LYS N N 64 122.759 122.759 118.302 4.457 25786 3278 1 8 . 1 1 64 64 LYS HA H 64 4.019 4.019 4.138 -0.119 25786 3279 1 8 . 1 1 64 64 LYS C C 64 177.595 177.595 176.784 0.811 25786 3280 1 8 . 1 1 64 64 LYS CA C 64 58.651 58.651 57.808 0.843 25786 3281 1 8 . 1 1 64 64 LYS CB C 64 31.510 31.510 32.194 -0.684 25786 3282 1 8 . 1 1 64 64 LYS H H 64 8.690 8.690 8.054 0.636 25786 3283 1 8 . 1 1 65 65 ASN N N 65 115.681 115.681 116.183 -0.502 25786 3284 1 8 . 1 1 65 65 ASN HA H 65 4.532 4.532 4.751 -0.219 25786 3285 1 8 . 1 1 65 65 ASN C C 65 173.405 173.405 174.750 -1.345 25786 3286 1 8 . 1 1 65 65 ASN CA C 65 53.685 53.685 51.805 1.880 25786 3287 1 8 . 1 1 65 65 ASN CB C 65 39.038 39.038 38.967 0.071 25786 3288 1 8 . 1 1 65 65 ASN H H 65 7.246 7.246 7.565 -0.319 25786 3289 1 8 . 1 1 66 66 GLY N N 66 105.186 105.186 105.935 -0.749 25786 3290 1 8 . 1 1 66 66 GLY C C 66 173.869 173.869 174.112 -0.243 25786 3291 1 8 . 1 1 66 66 GLY CA C 66 45.539 45.539 44.993 0.546 25786 3292 1 8 . 1 1 66 66 GLY H H 66 7.603 7.603 7.522 0.081 25786 3293 1 8 . 1 1 67 67 TYR N N 67 119.699 119.699 120.520 -0.821 25786 3294 1 8 . 1 1 67 67 TYR HA H 67 4.542 4.542 4.301 0.241 25786 3295 1 8 . 1 1 67 67 TYR C C 67 175.838 175.838 176.698 -0.860 25786 3296 1 8 . 1 1 67 67 TYR CA C 67 57.858 57.858 57.825 0.033 25786 3297 1 8 . 1 1 67 67 TYR CB C 67 38.564 38.564 38.849 -0.285 25786 3298 1 8 . 1 1 67 67 TYR H H 67 8.248 8.248 8.250 -0.002 25786 3299 1 8 . 1 1 68 68 ARG N N 68 125.588 125.588 125.535 0.053 25786 3300 1 8 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.374 0.015 25786 3301 1 8 . 1 1 68 68 ARG C C 68 174.479 174.479 175.151 -0.672 25786 3302 1 8 . 1 1 68 68 ARG CA C 68 55.649 55.649 55.641 0.008 25786 3303 1 8 . 1 1 68 68 ARG CB C 68 28.357 28.357 28.224 0.133 25786 3304 1 8 . 1 1 68 68 ARG H H 68 8.550 8.550 8.866 -0.316 25786 3305 1 8 . 1 1 69 69 LEU N N 69 122.034 122.034 121.821 0.213 25786 3306 1 8 . 1 1 69 69 LEU HA H 69 4.711 4.711 4.681 0.030 25786 3307 1 8 . 1 1 69 69 LEU C C 69 175.630 175.630 176.239 -0.609 25786 3308 1 8 . 1 1 69 69 LEU CA C 69 53.367 53.367 53.517 -0.151 25786 3309 1 8 . 1 1 69 69 LEU CB C 69 44.286 44.286 44.711 -0.425 25786 3310 1 8 . 1 1 69 69 LEU H H 69 7.421 7.421 7.972 -0.551 25786 3311 1 8 . 1 1 70 70 THR N N 70 109.789 109.789 117.128 -7.339 25786 3312 1 8 . 1 1 70 70 THR HA H 70 4.721 4.721 4.612 0.109 25786 3313 1 8 . 1 1 70 70 THR C C 70 174.636 174.636 175.065 -0.429 25786 3314 1 8 . 1 1 70 70 THR CA C 70 59.377 59.377 61.365 -1.988 25786 3315 1 8 . 1 1 70 70 THR CB C 70 72.180 72.180 69.990 2.190 25786 3316 1 8 . 1 1 70 70 THR H H 70 8.163 8.163 9.130 -0.967 25786 3317 1 8 . 1 1 71 71 LEU N N 71 122.563 122.563 127.410 -4.847 25786 3318 1 8 . 1 1 71 71 LEU HA H 71 3.885 3.885 4.065 -0.180 25786 3319 1 8 . 1 1 71 71 LEU C C 71 178.632 178.632 178.009 0.623 25786 3320 1 8 . 1 1 71 71 LEU CA C 71 58.196 58.196 57.937 0.259 25786 3321 1 8 . 1 1 71 71 LEU CB C 71 41.940 41.940 42.361 -0.422 25786 3322 1 8 . 1 1 71 71 LEU H H 71 8.825 8.825 8.827 -0.002 25786 3323 1 8 . 1 1 72 72 ARG N N 72 115.949 115.949 118.147 -2.198 25786 3324 1 8 . 1 1 72 72 ARG HA H 72 3.876 3.876 4.213 -0.337 25786 3325 1 8 . 1 1 72 72 ARG C C 72 178.893 178.893 178.275 0.618 25786 3326 1 8 . 1 1 72 72 ARG CA C 72 59.147 59.147 59.094 0.053 25786 3327 1 8 . 1 1 72 72 ARG CB C 72 29.631 29.631 29.899 -0.268 25786 3328 1 8 . 1 1 72 72 ARG H H 72 8.244 8.244 8.628 -0.384 25786 3329 1 8 . 1 1 73 73 GLU N N 73 117.665 117.665 119.920 -2.255 25786 3330 1 8 . 1 1 73 73 GLU HA H 73 3.951 3.951 4.032 -0.081 25786 3331 1 8 . 1 1 73 73 GLU C C 73 178.762 178.762 179.033 -0.271 25786 3332 1 8 . 1 1 73 73 GLU CA C 73 59.092 59.092 59.277 -0.185 25786 3333 1 8 . 1 1 73 73 GLU CB C 73 29.739 29.739 29.314 0.425 25786 3334 1 8 . 1 1 73 73 GLU H H 73 7.461 7.461 7.570 -0.109 25786 3335 1 8 . 1 1 74 74 LEU N N 74 117.724 117.724 118.567 -0.843 25786 3336 1 8 . 1 1 74 74 LEU HA H 74 3.898 3.898 4.271 -0.373 25786 3337 1 8 . 1 1 74 74 LEU C C 74 179.355 179.355 179.509 -0.154 25786 3338 1 8 . 1 1 74 74 LEU CA C 74 57.469 57.469 57.463 0.006 25786 3339 1 8 . 1 1 74 74 LEU CB C 74 41.619 41.619 41.430 0.189 25786 3340 1 8 . 1 1 74 74 LEU H H 74 7.413 7.413 7.516 -0.103 25786 3341 1 8 . 1 1 75 75 TYR N N 75 114.976 114.976 117.360 -2.384 25786 3342 1 8 . 1 1 75 75 TYR HA H 75 4.054 4.054 4.436 -0.382 25786 3343 1 8 . 1 1 75 75 TYR C C 75 176.656 176.656 176.600 0.056 25786 3344 1 8 . 1 1 75 75 TYR CA C 75 60.638 60.638 60.254 0.384 25786 3345 1 8 . 1 1 75 75 TYR CB C 75 39.688 39.688 37.969 1.719 25786 3346 1 8 . 1 1 75 75 TYR H H 75 8.086 8.086 7.704 0.382 25786 3347 1 8 . 1 1 76 76 ALA N N 76 119.116 119.116 120.819 -1.703 25786 3348 1 8 . 1 1 76 76 ALA HA H 76 4.052 4.052 4.404 -0.352 25786 3349 1 8 . 1 1 76 76 ALA C C 76 178.156 178.156 177.000 1.156 25786 3350 1 8 . 1 1 76 76 ALA CA C 76 54.468 54.468 52.978 1.490 25786 3351 1 8 . 1 1 76 76 ALA CB C 76 18.535 18.535 19.978 -1.443 25786 3352 1 8 . 1 1 76 76 ALA H H 76 7.776 7.776 7.571 0.205 25786 3353 1 8 . 1 1 77 77 ALA N N 77 116.862 116.862 121.098 -4.236 25786 3354 1 8 . 1 1 77 77 ALA C C 77 173.737 173.737 174.380 -0.643 25786 3355 1 8 . 1 1 77 77 ALA CA C 77 49.713 49.713 49.953 -0.240 25786 3356 1 8 . 1 1 77 77 ALA CB C 77 19.226 19.226 19.898 -0.672 25786 3357 1 8 . 1 1 77 77 ALA H H 77 6.706 6.706 7.876 -1.170 25786 3358 1 8 . 1 1 78 78 PRO HA H 78 5.018 5.018 4.732 0.286 25786 3359 1 8 . 1 1 78 78 PRO CA C 78 61.523 61.523 62.240 -0.717 25786 3360 1 8 . 1 1 78 78 PRO CB C 78 28.845 28.845 30.011 -1.166 25786 3361 1 8 . 1 1 79 79 THR N N 79 111.947 111.947 111.870 0.077 25786 3362 1 8 . 1 1 79 79 THR HA H 79 4.396 4.396 4.505 -0.109 25786 3363 1 8 . 1 1 79 79 THR C C 79 173.000 173.000 174.550 -1.550 25786 3364 1 8 . 1 1 79 79 THR CA C 79 58.059 58.059 59.177 -1.118 25786 3365 1 8 . 1 1 79 79 THR CB C 79 72.247 72.247 72.574 -0.327 25786 3366 1 8 . 1 1 79 79 THR H H 79 7.664 7.664 6.968 0.696 25786 3367 1 8 . 1 1 80 80 LEU N N 80 123.227 123.227 122.044 1.183 25786 3368 1 8 . 1 1 80 80 LEU HA H 80 3.747 3.747 4.058 -0.311 25786 3369 1 8 . 1 1 80 80 LEU C C 80 179.028 179.028 178.252 0.776 25786 3370 1 8 . 1 1 80 80 LEU CA C 80 58.209 58.209 57.553 0.656 25786 3371 1 8 . 1 1 80 80 LEU CB C 80 41.579 41.579 41.845 -0.266 25786 3372 1 8 . 1 1 80 80 LEU H H 80 9.609 9.609 8.974 0.635 25786 3373 1 8 . 1 1 81 81 ALA N N 81 119.663 119.663 121.024 -1.361 25786 3374 1 8 . 1 1 81 81 ALA HA H 81 4.141 4.141 4.137 0.004 25786 3375 1 8 . 1 1 81 81 ALA C C 81 181.038 181.038 178.908 2.130 25786 3376 1 8 . 1 1 81 81 ALA CA C 81 54.876 54.876 54.787 0.089 25786 3377 1 8 . 1 1 81 81 ALA CB C 81 18.428 18.428 18.236 0.192 25786 3378 1 8 . 1 1 81 81 ALA H H 81 8.831 8.831 9.186 -0.355 25786 3379 1 8 . 1 1 82 82 ALA N N 82 122.181 122.181 122.345 -0.164 25786 3380 1 8 . 1 1 82 82 ALA HA H 82 4.225 4.225 4.168 0.057 25786 3381 1 8 . 1 1 82 82 ALA C C 82 181.868 181.868 179.606 2.262 25786 3382 1 8 . 1 1 82 82 ALA CA C 82 54.808 54.808 54.961 -0.153 25786 3383 1 8 . 1 1 82 82 ALA CB C 82 19.088 19.088 18.283 0.805 25786 3384 1 8 . 1 1 82 82 ALA H H 82 8.272 8.272 7.681 0.591 25786 3385 1 8 . 1 1 83 83 TRP N N 83 123.399 123.399 118.688 4.711 25786 3386 1 8 . 1 1 83 83 TRP HA H 83 4.543 4.543 4.256 0.287 25786 3387 1 8 . 1 1 83 83 TRP C C 83 178.633 178.633 178.950 -0.317 25786 3388 1 8 . 1 1 83 83 TRP CA C 83 59.562 59.562 59.409 0.153 25786 3389 1 8 . 1 1 83 83 TRP CB C 83 28.301 28.301 28.420 -0.119 25786 3390 1 8 . 1 1 83 83 TRP H H 83 9.378 9.378 8.304 1.074 25786 3391 1 8 . 1 1 84 84 ASN N N 84 118.250 118.250 117.750 0.500 25786 3392 1 8 . 1 1 84 84 ASN HA H 84 4.616 4.616 4.475 0.141 25786 3393 1 8 . 1 1 84 84 ASN C C 84 177.231 177.231 177.898 -0.667 25786 3394 1 8 . 1 1 84 84 ASN CA C 84 57.096 57.096 56.428 0.667 25786 3395 1 8 . 1 1 84 84 ASN CB C 84 39.229 39.229 38.039 1.190 25786 3396 1 8 . 1 1 84 84 ASN H H 84 9.136 9.136 8.443 0.693 25786 3397 1 8 . 1 1 85 85 GLN N N 85 116.261 116.261 119.960 -3.699 25786 3398 1 8 . 1 1 85 85 GLN HA H 85 4.011 4.011 4.089 -0.078 25786 3399 1 8 . 1 1 85 85 GLN C C 85 179.455 179.455 178.447 1.008 25786 3400 1 8 . 1 1 85 85 GLN CA C 85 58.748 58.748 59.162 -0.414 25786 3401 1 8 . 1 1 85 85 GLN CB C 85 27.840 27.840 28.511 -0.670 25786 3402 1 8 . 1 1 85 85 GLN H H 85 7.511 7.511 8.086 -0.575 25786 3403 1 8 . 1 1 86 86 LEU N N 86 121.554 121.554 116.744 4.810 25786 3404 1 8 . 1 1 86 86 LEU HA H 86 4.041 4.041 4.067 -0.026 25786 3405 1 8 . 1 1 86 86 LEU C C 86 179.171 179.171 178.849 0.322 25786 3406 1 8 . 1 1 86 86 LEU CA C 86 57.804 57.804 56.936 0.868 25786 3407 1 8 . 1 1 86 86 LEU CB C 86 41.915 41.915 41.495 0.420 25786 3408 1 8 . 1 1 86 86 LEU H H 86 8.172 8.172 8.290 -0.118 25786 3409 1 8 . 1 1 87 87 MET N N 87 117.874 117.874 116.947 0.927 25786 3410 1 8 . 1 1 87 87 MET HA H 87 3.752 3.752 4.333 -0.581 25786 3411 1 8 . 1 1 87 87 MET C C 87 178.221 178.221 178.752 -0.531 25786 3412 1 8 . 1 1 87 87 MET CA C 87 59.481 59.481 58.663 0.817 25786 3413 1 8 . 1 1 87 87 MET CB C 87 34.875 34.875 33.201 1.674 25786 3414 1 8 . 1 1 87 87 MET H H 87 8.197 8.197 7.462 0.735 25786 3415 1 8 . 1 1 88 88 LEU N N 88 117.598 117.598 122.624 -5.026 25786 3416 1 8 . 1 1 88 88 LEU HA H 88 4.054 4.054 4.226 -0.172 25786 3417 1 8 . 1 1 88 88 LEU C C 88 179.237 179.237 178.670 0.567 25786 3418 1 8 . 1 1 88 88 LEU CA C 88 57.076 57.076 58.024 -0.948 25786 3419 1 8 . 1 1 88 88 LEU CB C 88 42.395 42.395 41.855 0.540 25786 3420 1 8 . 1 1 88 88 LEU H H 88 7.902 7.902 8.709 -0.807 25786 3421 1 8 . 1 1 89 89 SER N N 89 113.195 113.195 114.146 -0.951 25786 3422 1 8 . 1 1 89 89 SER HA H 89 4.038 4.038 4.366 -0.328 25786 3423 1 8 . 1 1 89 89 SER C C 89 175.090 175.090 175.292 -0.202 25786 3424 1 8 . 1 1 89 89 SER CA C 89 59.901 59.901 60.330 -0.429 25786 3425 1 8 . 1 1 89 89 SER CB C 89 63.834 63.834 62.687 1.147 25786 3426 1 8 . 1 1 89 89 SER H H 89 7.958 7.958 8.441 -0.483 25786 3427 1 8 . 1 1 90 90 ARG N N 90 122.031 122.031 118.580 3.451 25786 3428 1 8 . 1 1 90 90 ARG HA H 90 4.701 4.701 4.428 0.273 25786 3429 1 8 . 1 1 90 90 ARG C C 90 175.695 175.695 175.318 0.377 25786 3430 1 8 . 1 1 90 90 ARG CA C 90 53.905 53.905 54.648 -0.743 25786 3431 1 8 . 1 1 90 90 ARG CB C 90 29.631 29.631 30.696 -1.065 25786 3432 1 8 . 1 1 90 90 ARG H H 90 7.923 7.923 7.695 0.228 25786 3433 1 8 . 1 1 91 91 SER N N 91 117.191 117.191 115.848 1.343 25786 3434 1 8 . 1 1 91 91 SER C C 91 172.914 172.914 172.695 0.219 25786 3435 1 8 . 1 1 91 91 SER CA C 91 57.104 57.104 55.468 1.636 25786 3436 1 8 . 1 1 91 91 SER CB C 91 63.437 63.437 63.915 -0.478 25786 3437 1 8 . 1 1 91 91 SER H H 91 7.752 7.752 7.600 0.152 25786 3438 1 8 . 1 1 92 92 PRO HA H 92 4.420 4.420 4.462 -0.042 25786 3439 1 8 . 1 1 92 92 PRO CA C 92 63.414 63.414 63.218 0.196 25786 3440 1 8 . 1 1 92 92 PRO CB C 92 31.895 31.895 31.673 0.222 25786 3441 1 9 . 1 1 15 15 ASN N N 15 119.857 119.857 118.588 1.269 25786 3442 1 9 . 1 1 15 15 ASN HA H 15 4.719 4.719 4.897 -0.178 25786 3443 1 9 . 1 1 15 15 ASN C C 15 175.735 175.735 175.254 0.481 25786 3444 1 9 . 1 1 15 15 ASN CA C 15 53.556 53.556 52.771 0.785 25786 3445 1 9 . 1 1 15 15 ASN CB C 15 38.731 38.731 38.844 -0.114 25786 3446 1 9 . 1 1 15 15 ASN H H 15 8.425 8.425 8.537 -0.112 25786 3447 1 9 . 1 1 16 16 ARG N N 16 122.030 122.030 117.273 4.757 25786 3448 1 9 . 1 1 16 16 ARG HA H 16 4.211 4.211 4.001 0.210 25786 3449 1 9 . 1 1 16 16 ARG C C 16 176.669 176.669 176.942 -0.273 25786 3450 1 9 . 1 1 16 16 ARG CA C 16 57.735 57.735 57.215 0.520 25786 3451 1 9 . 1 1 16 16 ARG CB C 16 30.224 30.224 29.274 0.950 25786 3452 1 9 . 1 1 16 16 ARG H H 16 8.347 8.347 8.684 -0.337 25786 3453 1 9 . 1 1 17 17 HIS N N 17 118.590 118.590 121.083 -2.493 25786 3454 1 9 . 1 1 17 17 HIS HA H 17 4.563 4.563 4.417 0.146 25786 3455 1 9 . 1 1 17 17 HIS C C 17 176.284 176.284 177.052 -0.768 25786 3456 1 9 . 1 1 17 17 HIS CA C 17 58.394 58.394 59.311 -0.917 25786 3457 1 9 . 1 1 17 17 HIS CB C 17 30.362 30.362 30.006 0.356 25786 3458 1 9 . 1 1 17 17 HIS H H 17 8.395 8.395 9.195 -0.800 25786 3459 1 9 . 1 1 18 18 ALA N N 18 122.047 122.047 121.338 0.709 25786 3460 1 9 . 1 1 18 18 ALA HA H 18 4.182 4.182 4.267 -0.085 25786 3461 1 9 . 1 1 18 18 ALA C C 18 180.003 180.003 178.688 1.315 25786 3462 1 9 . 1 1 18 18 ALA CA C 18 54.294 54.294 54.362 -0.068 25786 3463 1 9 . 1 1 18 18 ALA CB C 18 18.849 18.849 17.946 0.903 25786 3464 1 9 . 1 1 18 18 ALA H H 18 8.436 8.436 8.849 -0.413 25786 3465 1 9 . 1 1 19 19 ALA N N 19 122.607 122.607 121.961 0.646 25786 3466 1 9 . 1 1 19 19 ALA HA H 19 4.275 4.275 4.144 0.132 25786 3467 1 9 . 1 1 19 19 ALA C C 19 180.295 180.295 179.778 0.517 25786 3468 1 9 . 1 1 19 19 ALA CA C 19 55.040 55.040 54.647 0.393 25786 3469 1 9 . 1 1 19 19 ALA CB C 19 18.267 18.267 18.316 -0.049 25786 3470 1 9 . 1 1 19 19 ALA H H 19 8.402 8.402 8.129 0.273 25786 3471 1 9 . 1 1 20 20 ASP N N 20 118.796 118.796 120.168 -1.372 25786 3472 1 9 . 1 1 20 20 ASP HA H 20 4.837 4.837 4.526 0.311 25786 3473 1 9 . 1 1 20 20 ASP C C 20 177.313 177.313 178.045 -0.732 25786 3474 1 9 . 1 1 20 20 ASP CA C 20 56.725 56.725 58.119 -1.394 25786 3475 1 9 . 1 1 20 20 ASP CB C 20 40.189 40.189 40.796 -0.607 25786 3476 1 9 . 1 1 20 20 ASP H H 20 8.317 8.317 8.613 -0.296 25786 3477 1 9 . 1 1 21 21 TYR N N 21 120.958 120.958 120.125 0.833 25786 3478 1 9 . 1 1 21 21 TYR HA H 21 4.058 4.058 4.271 -0.212 25786 3479 1 9 . 1 1 21 21 TYR C C 21 176.282 176.282 176.751 -0.469 25786 3480 1 9 . 1 1 21 21 TYR CA C 21 61.892 61.892 61.125 0.767 25786 3481 1 9 . 1 1 21 21 TYR CB C 21 38.655 38.655 38.305 0.350 25786 3482 1 9 . 1 1 21 21 TYR H H 21 8.679 8.679 8.084 0.595 25786 3483 1 9 . 1 1 22 22 GLN N N 22 117.715 117.715 117.877 -0.162 25786 3484 1 9 . 1 1 22 22 GLN HA H 22 3.826 3.826 3.583 0.243 25786 3485 1 9 . 1 1 22 22 GLN C C 22 178.197 178.197 178.266 -0.069 25786 3486 1 9 . 1 1 22 22 GLN CA C 22 59.110 59.110 58.498 0.612 25786 3487 1 9 . 1 1 22 22 GLN CB C 22 27.430 27.430 27.941 -0.510 25786 3488 1 9 . 1 1 22 22 GLN H H 22 8.236 8.236 7.899 0.337 25786 3489 1 9 . 1 1 23 23 GLN N N 23 118.526 118.526 118.825 -0.299 25786 3490 1 9 . 1 1 23 23 GLN HA H 23 4.100 4.100 4.180 -0.080 25786 3491 1 9 . 1 1 23 23 GLN C C 23 177.521 177.521 178.401 -0.880 25786 3492 1 9 . 1 1 23 23 GLN CA C 23 58.915 58.915 57.147 1.768 25786 3493 1 9 . 1 1 23 23 GLN CB C 23 29.032 29.032 28.297 0.734 25786 3494 1 9 . 1 1 23 23 GLN H H 23 8.003 8.003 7.829 0.174 25786 3495 1 9 . 1 1 24 24 LEU N N 24 121.914 121.914 122.698 -0.784 25786 3496 1 9 . 1 1 24 24 LEU HA H 24 3.444 3.444 3.322 0.122 25786 3497 1 9 . 1 1 24 24 LEU C C 24 176.882 176.882 178.100 -1.218 25786 3498 1 9 . 1 1 24 24 LEU CA C 24 58.115 58.115 57.839 0.276 25786 3499 1 9 . 1 1 24 24 LEU CB C 24 41.704 41.704 41.655 0.049 25786 3500 1 9 . 1 1 24 24 LEU H H 24 8.031 8.031 8.060 -0.029 25786 3501 1 9 . 1 1 25 25 ARG N N 25 116.645 116.645 118.371 -1.726 25786 3502 1 9 . 1 1 25 25 ARG HA H 25 3.395 3.395 3.726 -0.331 25786 3503 1 9 . 1 1 25 25 ARG C C 25 177.469 177.469 178.376 -0.907 25786 3504 1 9 . 1 1 25 25 ARG CA C 25 60.246 60.246 59.822 0.424 25786 3505 1 9 . 1 1 25 25 ARG CB C 25 29.925 29.925 29.895 0.030 25786 3506 1 9 . 1 1 25 25 ARG H H 25 7.981 7.981 8.207 -0.226 25786 3507 1 9 . 1 1 26 26 GLU N N 26 115.943 115.943 119.600 -3.657 25786 3508 1 9 . 1 1 26 26 GLU HA H 26 3.832 3.832 3.963 -0.131 25786 3509 1 9 . 1 1 26 26 GLU C C 26 179.682 179.682 178.854 0.828 25786 3510 1 9 . 1 1 26 26 GLU CA C 26 59.517 59.517 59.555 -0.038 25786 3511 1 9 . 1 1 26 26 GLU CB C 26 29.439 29.439 29.582 -0.143 25786 3512 1 9 . 1 1 26 26 GLU H H 26 8.160 8.160 7.717 0.443 25786 3513 1 9 . 1 1 27 27 ARG N N 27 118.766 118.766 119.723 -0.957 25786 3514 1 9 . 1 1 27 27 ARG HA H 27 4.144 4.144 4.173 -0.029 25786 3515 1 9 . 1 1 27 27 ARG C C 27 179.241 179.241 178.870 0.371 25786 3516 1 9 . 1 1 27 27 ARG CA C 27 58.855 58.855 57.739 1.115 25786 3517 1 9 . 1 1 27 27 ARG CB C 27 29.996 29.996 29.795 0.201 25786 3518 1 9 . 1 1 27 27 ARG H H 27 8.283 8.283 8.095 0.188 25786 3519 1 9 . 1 1 28 28 LEU N N 28 122.077 122.077 119.740 2.337 25786 3520 1 9 . 1 1 28 28 LEU HA H 28 4.106 4.106 3.998 0.108 25786 3521 1 9 . 1 1 28 28 LEU C C 28 178.766 178.766 178.715 0.051 25786 3522 1 9 . 1 1 28 28 LEU CA C 28 58.558 58.558 57.801 0.757 25786 3523 1 9 . 1 1 28 28 LEU CB C 28 42.514 42.514 41.498 1.016 25786 3524 1 9 . 1 1 28 28 LEU H H 28 8.389 8.389 8.187 0.202 25786 3525 1 9 . 1 1 29 29 ILE N N 29 117.586 117.586 120.255 -2.669 25786 3526 1 9 . 1 1 29 29 ILE HA H 29 3.339 3.339 3.532 -0.193 25786 3527 1 9 . 1 1 29 29 ILE C C 29 177.927 177.927 177.886 0.041 25786 3528 1 9 . 1 1 29 29 ILE CA C 29 66.203 66.203 65.895 0.308 25786 3529 1 9 . 1 1 29 29 ILE CB C 29 37.823 37.823 37.684 0.139 25786 3530 1 9 . 1 1 29 29 ILE H H 29 7.914 7.914 7.513 0.401 25786 3531 1 9 . 1 1 30 30 GLN N N 30 116.395 116.395 118.263 -1.868 25786 3532 1 9 . 1 1 30 30 GLN HA H 30 4.157 4.157 4.027 0.130 25786 3533 1 9 . 1 1 30 30 GLN C C 30 179.400 179.400 179.355 0.045 25786 3534 1 9 . 1 1 30 30 GLN CA C 30 58.410 58.410 58.839 -0.429 25786 3535 1 9 . 1 1 30 30 GLN CB C 30 28.804 28.804 28.691 0.113 25786 3536 1 9 . 1 1 30 30 GLN H H 30 7.287 7.287 7.821 -0.534 25786 3537 1 9 . 1 1 31 31 GLU N N 31 120.336 120.336 121.549 -1.213 25786 3538 1 9 . 1 1 31 31 GLU HA H 31 4.023 4.023 4.167 -0.144 25786 3539 1 9 . 1 1 31 31 GLU C C 31 178.395 178.395 178.019 0.376 25786 3540 1 9 . 1 1 31 31 GLU CA C 31 59.377 59.377 58.825 0.552 25786 3541 1 9 . 1 1 31 31 GLU CB C 31 30.436 30.436 29.626 0.810 25786 3542 1 9 . 1 1 31 31 GLU H H 31 8.814 8.814 8.572 0.242 25786 3543 1 9 . 1 1 32 32 LEU N N 32 115.139 115.139 116.937 -1.798 25786 3544 1 9 . 1 1 32 32 LEU HA H 32 4.377 4.377 4.538 -0.161 25786 3545 1 9 . 1 1 32 32 LEU C C 32 176.033 176.033 176.457 -0.424 25786 3546 1 9 . 1 1 32 32 LEU CA C 32 54.101 54.101 54.406 -0.305 25786 3547 1 9 . 1 1 32 32 LEU CB C 32 41.354 41.354 42.113 -0.759 25786 3548 1 9 . 1 1 32 32 LEU H H 32 8.109 8.109 7.713 0.396 25786 3549 1 9 . 1 1 33 33 ASN N N 33 116.751 116.751 115.446 1.305 25786 3550 1 9 . 1 1 33 33 ASN HA H 33 4.453 4.453 4.327 0.126 25786 3551 1 9 . 1 1 33 33 ASN C C 33 174.288 174.288 174.685 -0.397 25786 3552 1 9 . 1 1 33 33 ASN CA C 33 54.024 54.024 53.871 0.153 25786 3553 1 9 . 1 1 33 33 ASN CB C 33 36.929 36.929 37.776 -0.847 25786 3554 1 9 . 1 1 33 33 ASN H H 33 7.796 7.796 7.665 0.131 25786 3555 1 9 . 1 1 34 34 LEU N N 34 117.139 117.139 116.170 0.969 25786 3556 1 9 . 1 1 34 34 LEU HA H 34 4.787 4.787 4.774 0.013 25786 3557 1 9 . 1 1 34 34 LEU C C 34 176.521 176.521 176.283 0.238 25786 3558 1 9 . 1 1 34 34 LEU CA C 34 53.079 53.079 53.674 -0.595 25786 3559 1 9 . 1 1 34 34 LEU CB C 34 44.673 44.673 44.824 -0.151 25786 3560 1 9 . 1 1 34 34 LEU H H 34 7.728 7.728 8.400 -0.672 25786 3561 1 9 . 1 1 35 35 THR N N 35 110.751 110.751 109.446 1.305 25786 3562 1 9 . 1 1 35 35 THR HA H 35 4.803 4.803 4.794 0.009 25786 3563 1 9 . 1 1 35 35 THR C C 35 174.438 174.438 173.722 0.716 25786 3564 1 9 . 1 1 35 35 THR CA C 35 59.445 59.445 58.710 0.735 25786 3565 1 9 . 1 1 35 35 THR CB C 35 68.651 68.651 69.450 -0.798 25786 3566 1 9 . 1 1 35 35 THR H H 35 8.001 8.001 7.866 0.135 25786 3567 1 9 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.209 -0.132 25786 3568 1 9 . 1 1 36 36 PRO CA C 36 65.645 65.645 65.619 0.026 25786 3569 1 9 . 1 1 36 36 PRO CB C 36 31.632 31.632 31.719 -0.087 25786 3570 1 9 . 1 1 37 37 GLN N N 37 112.874 112.874 114.126 -1.252 25786 3571 1 9 . 1 1 37 37 GLN HA H 37 4.105 4.105 4.226 -0.121 25786 3572 1 9 . 1 1 37 37 GLN C C 37 176.960 176.960 176.877 0.083 25786 3573 1 9 . 1 1 37 37 GLN CA C 37 57.891 57.891 57.569 0.322 25786 3574 1 9 . 1 1 37 37 GLN CB C 37 27.902 27.902 27.573 0.329 25786 3575 1 9 . 1 1 37 37 GLN H H 37 8.005 8.005 8.559 -0.554 25786 3576 1 9 . 1 1 38 38 GLN N N 38 116.477 116.477 116.909 -0.432 25786 3577 1 9 . 1 1 38 38 GLN HA H 38 4.187 4.187 4.347 -0.160 25786 3578 1 9 . 1 1 38 38 GLN C C 38 175.508 175.508 176.045 -0.537 25786 3579 1 9 . 1 1 38 38 GLN CA C 38 56.398 56.398 55.640 0.758 25786 3580 1 9 . 1 1 38 38 GLN CB C 38 31.126 31.126 29.819 1.307 25786 3581 1 9 . 1 1 38 38 GLN H H 38 7.663 7.663 7.669 -0.006 25786 3582 1 9 . 1 1 39 39 LEU N N 39 120.726 120.726 121.450 -0.724 25786 3583 1 9 . 1 1 39 39 LEU HA H 39 4.371 4.371 4.809 -0.438 25786 3584 1 9 . 1 1 39 39 LEU C C 39 174.277 174.277 176.007 -1.730 25786 3585 1 9 . 1 1 39 39 LEU CA C 39 53.959 53.959 53.736 0.223 25786 3586 1 9 . 1 1 39 39 LEU CB C 39 41.610 41.610 42.606 -0.996 25786 3587 1 9 . 1 1 39 39 LEU H H 39 7.286 7.286 7.268 0.018 25786 3588 1 9 . 1 1 40 40 HIS N N 40 124.680 124.680 120.000 4.680 25786 3589 1 9 . 1 1 40 40 HIS HA H 40 4.808 4.808 4.599 0.209 25786 3590 1 9 . 1 1 40 40 HIS C C 40 176.727 176.727 175.951 0.776 25786 3591 1 9 . 1 1 40 40 HIS CA C 40 54.762 54.762 54.461 0.301 25786 3592 1 9 . 1 1 40 40 HIS CB C 40 31.521 31.521 31.024 0.497 25786 3593 1 9 . 1 1 40 40 HIS H H 40 8.158 8.158 8.366 -0.208 25786 3594 1 9 . 1 1 41 41 GLU HA H 41 4.029 4.029 4.063 -0.034 25786 3595 1 9 . 1 1 42 42 GLU N N 42 113.813 113.813 117.572 -3.759 25786 3596 1 9 . 1 1 42 42 GLU HA H 42 4.547 4.547 4.208 0.339 25786 3597 1 9 . 1 1 42 42 GLU C C 42 176.680 176.680 175.882 0.798 25786 3598 1 9 . 1 1 42 42 GLU CA C 42 55.313 55.313 55.794 -0.481 25786 3599 1 9 . 1 1 42 42 GLU CB C 42 29.165 29.165 28.623 0.541 25786 3600 1 9 . 1 1 42 42 GLU H H 42 8.808 8.808 8.163 0.645 25786 3601 1 9 . 1 1 43 43 SER N N 43 118.066 118.066 117.017 1.049 25786 3602 1 9 . 1 1 43 43 SER HA H 43 4.088 4.088 3.796 0.292 25786 3603 1 9 . 1 1 43 43 SER C C 43 173.663 173.663 173.833 -0.170 25786 3604 1 9 . 1 1 43 43 SER CA C 43 60.156 60.156 59.539 0.617 25786 3605 1 9 . 1 1 43 43 SER CB C 43 62.827 62.827 63.269 -0.442 25786 3606 1 9 . 1 1 43 43 SER H H 43 7.485 7.485 7.004 0.481 25786 3607 1 9 . 1 1 44 44 ASN N N 44 123.218 123.218 124.018 -0.800 25786 3608 1 9 . 1 1 44 44 ASN HA H 44 4.392 4.392 4.863 -0.471 25786 3609 1 9 . 1 1 44 44 ASN C C 44 176.926 176.926 176.471 0.455 25786 3610 1 9 . 1 1 44 44 ASN CA C 44 53.987 53.987 53.084 0.903 25786 3611 1 9 . 1 1 44 44 ASN CB C 44 38.433 38.433 38.592 -0.159 25786 3612 1 9 . 1 1 44 44 ASN H H 44 8.811 8.811 8.494 0.317 25786 3613 1 9 . 1 1 45 45 LEU N N 45 128.735 128.735 125.921 2.814 25786 3614 1 9 . 1 1 45 45 LEU HA H 45 3.722 3.722 3.935 -0.213 25786 3615 1 9 . 1 1 45 45 LEU C C 45 178.143 178.143 178.366 -0.223 25786 3616 1 9 . 1 1 45 45 LEU CA C 45 57.149 57.149 57.656 -0.506 25786 3617 1 9 . 1 1 45 45 LEU CB C 45 42.250 42.250 41.808 0.442 25786 3618 1 9 . 1 1 45 45 LEU H H 45 9.385 9.385 8.546 0.839 25786 3619 1 9 . 1 1 46 46 ILE N N 46 119.379 119.379 118.465 0.914 25786 3620 1 9 . 1 1 46 46 ILE HA H 46 4.187 4.187 4.198 -0.011 25786 3621 1 9 . 1 1 46 46 ILE C C 46 180.926 180.926 179.067 1.859 25786 3622 1 9 . 1 1 46 46 ILE CA C 46 63.814 63.814 64.654 -0.840 25786 3623 1 9 . 1 1 46 46 ILE CB C 46 36.709 36.709 37.882 -1.173 25786 3624 1 9 . 1 1 46 46 ILE H H 46 7.659 7.659 7.864 -0.205 25786 3625 1 9 . 1 1 47 47 GLN N N 47 121.737 121.737 118.970 2.767 25786 3626 1 9 . 1 1 47 47 GLN HA H 47 3.989 3.989 4.211 -0.222 25786 3627 1 9 . 1 1 47 47 GLN C C 47 177.739 177.739 176.304 1.435 25786 3628 1 9 . 1 1 47 47 GLN CA C 47 58.033 58.033 57.518 0.515 25786 3629 1 9 . 1 1 47 47 GLN CB C 47 27.985 27.985 28.935 -0.950 25786 3630 1 9 . 1 1 47 47 GLN H H 47 8.161 8.161 7.945 0.216 25786 3631 1 9 . 1 1 48 48 ALA N N 48 117.777 117.777 121.251 -3.474 25786 3632 1 9 . 1 1 48 48 ALA HA H 48 4.260 4.260 4.489 -0.229 25786 3633 1 9 . 1 1 48 48 ALA C C 48 176.582 176.582 177.682 -1.100 25786 3634 1 9 . 1 1 48 48 ALA CA C 48 52.710 52.710 52.608 0.102 25786 3635 1 9 . 1 1 48 48 ALA CB C 48 18.601 18.601 20.634 -2.034 25786 3636 1 9 . 1 1 48 48 ALA H H 48 7.448 7.448 7.192 0.256 25786 3637 1 9 . 1 1 49 49 GLY N N 49 102.932 102.932 106.323 -3.391 25786 3638 1 9 . 1 1 49 49 GLY C C 49 174.451 174.451 172.008 2.443 25786 3639 1 9 . 1 1 49 49 GLY CA C 49 44.967 44.967 45.621 -0.654 25786 3640 1 9 . 1 1 49 49 GLY H H 49 7.445 7.445 8.335 -0.890 25786 3641 1 9 . 1 1 50 50 LEU N N 50 123.058 123.058 122.737 0.321 25786 3642 1 9 . 1 1 50 50 LEU HA H 50 4.257 4.257 4.839 -0.582 25786 3643 1 9 . 1 1 50 50 LEU C C 50 173.460 173.460 175.287 -1.827 25786 3644 1 9 . 1 1 50 50 LEU CA C 50 55.909 55.909 53.887 2.022 25786 3645 1 9 . 1 1 50 50 LEU CB C 50 41.454 41.454 44.897 -3.442 25786 3646 1 9 . 1 1 50 50 LEU H H 50 8.545 8.545 7.341 1.204 25786 3647 1 9 . 1 1 54 54 ARG N N 54 121.407 121.407 121.572 -0.165 25786 3648 1 9 . 1 1 54 54 ARG HA H 54 4.088 4.088 3.940 0.148 25786 3649 1 9 . 1 1 54 54 ARG C C 54 179.647 179.647 178.177 1.470 25786 3650 1 9 . 1 1 54 54 ARG CA C 54 59.615 59.615 59.319 0.296 25786 3651 1 9 . 1 1 54 54 ARG CB C 54 30.633 30.633 30.724 -0.091 25786 3652 1 9 . 1 1 54 54 ARG H H 54 8.412 8.412 8.879 -0.467 25786 3653 1 9 . 1 1 55 55 LEU N N 55 121.118 121.118 120.773 0.345 25786 3654 1 9 . 1 1 55 55 LEU HA H 55 4.332 4.332 4.573 -0.241 25786 3655 1 9 . 1 1 55 55 LEU C C 55 178.416 178.416 178.271 0.145 25786 3656 1 9 . 1 1 55 55 LEU CA C 55 59.035 59.035 58.465 0.570 25786 3657 1 9 . 1 1 55 55 LEU CB C 55 41.718 41.718 42.256 -0.538 25786 3658 1 9 . 1 1 55 55 LEU H H 55 9.050 9.050 8.272 0.778 25786 3659 1 9 . 1 1 56 56 MET N N 56 117.969 117.969 117.886 0.083 25786 3660 1 9 . 1 1 56 56 MET HA H 56 4.284 4.284 4.137 0.147 25786 3661 1 9 . 1 1 56 56 MET C C 56 178.301 178.301 178.602 -0.301 25786 3662 1 9 . 1 1 56 56 MET CA C 56 57.927 57.927 58.812 -0.885 25786 3663 1 9 . 1 1 56 56 MET CB C 56 31.317 31.317 32.244 -0.927 25786 3664 1 9 . 1 1 56 56 MET H H 56 7.875 7.875 8.373 -0.498 25786 3665 1 9 . 1 1 57 57 ARG N N 57 119.532 119.532 120.355 -0.823 25786 3666 1 9 . 1 1 57 57 ARG HA H 57 4.096 4.096 4.206 -0.110 25786 3667 1 9 . 1 1 57 57 ARG C C 57 180.458 180.458 178.450 2.008 25786 3668 1 9 . 1 1 57 57 ARG CA C 57 59.770 59.770 58.939 0.831 25786 3669 1 9 . 1 1 57 57 ARG CB C 57 29.520 29.520 29.181 0.339 25786 3670 1 9 . 1 1 57 57 ARG H H 57 7.609 7.609 8.103 -0.494 25786 3671 1 9 . 1 1 58 58 TRP N N 58 121.820 121.820 120.487 1.333 25786 3672 1 9 . 1 1 58 58 TRP HA H 58 4.465 4.465 4.486 -0.021 25786 3673 1 9 . 1 1 58 58 TRP C C 58 177.973 177.973 178.583 -0.610 25786 3674 1 9 . 1 1 58 58 TRP CA C 58 61.063 61.063 59.566 1.496 25786 3675 1 9 . 1 1 58 58 TRP CB C 58 28.348 28.348 29.580 -1.232 25786 3676 1 9 . 1 1 58 58 TRP H H 58 8.207 8.207 7.933 0.274 25786 3677 1 9 . 1 1 59 59 LEU N N 59 121.654 121.654 121.207 0.447 25786 3678 1 9 . 1 1 59 59 LEU HA H 59 4.274 4.274 4.162 0.112 25786 3679 1 9 . 1 1 59 59 LEU C C 59 178.823 178.823 178.595 0.228 25786 3680 1 9 . 1 1 59 59 LEU CA C 59 59.044 59.044 57.689 1.355 25786 3681 1 9 . 1 1 59 59 LEU CB C 59 40.851 40.851 41.003 -0.152 25786 3682 1 9 . 1 1 59 59 LEU H H 59 8.599 8.599 8.276 0.323 25786 3683 1 9 . 1 1 60 60 HIS N N 60 116.952 116.952 118.242 -1.290 25786 3684 1 9 . 1 1 60 60 HIS HA H 60 4.389 4.389 4.269 0.120 25786 3685 1 9 . 1 1 60 60 HIS C C 60 177.635 177.635 177.437 0.198 25786 3686 1 9 . 1 1 60 60 HIS CA C 60 59.755 59.755 61.233 -1.478 25786 3687 1 9 . 1 1 60 60 HIS CB C 60 30.083 30.083 29.536 0.547 25786 3688 1 9 . 1 1 60 60 HIS H H 60 7.909 7.909 8.241 -0.332 25786 3689 1 9 . 1 1 61 61 TRP N N 61 123.194 123.194 122.456 0.738 25786 3690 1 9 . 1 1 61 61 TRP HA H 61 4.032 4.032 4.249 -0.217 25786 3691 1 9 . 1 1 61 61 TRP C C 61 179.298 179.298 177.949 1.349 25786 3692 1 9 . 1 1 61 61 TRP CA C 61 62.541 62.541 61.417 1.124 25786 3693 1 9 . 1 1 61 61 TRP CB C 61 28.839 28.839 29.075 -0.236 25786 3694 1 9 . 1 1 61 61 TRP H H 61 8.142 8.142 7.970 0.172 25786 3695 1 9 . 1 1 62 62 PHE N N 62 120.038 120.038 117.267 2.771 25786 3696 1 9 . 1 1 62 62 PHE HA H 62 4.205 4.205 3.657 0.548 25786 3697 1 9 . 1 1 62 62 PHE C C 62 179.080 179.080 178.179 0.901 25786 3698 1 9 . 1 1 62 62 PHE CA C 62 63.629 63.629 62.025 1.604 25786 3699 1 9 . 1 1 62 62 PHE CB C 62 38.664 38.664 38.274 0.390 25786 3700 1 9 . 1 1 62 62 PHE H H 62 9.447 9.447 8.526 0.921 25786 3701 1 9 . 1 1 63 63 ARG N N 63 118.560 118.560 120.699 -2.139 25786 3702 1 9 . 1 1 63 63 ARG HA H 63 4.258 4.258 4.364 -0.106 25786 3703 1 9 . 1 1 63 63 ARG C C 63 181.328 181.328 179.239 2.089 25786 3704 1 9 . 1 1 63 63 ARG CA C 63 59.257 59.257 58.584 0.673 25786 3705 1 9 . 1 1 63 63 ARG CB C 63 29.697 29.697 29.941 -0.244 25786 3706 1 9 . 1 1 63 63 ARG H H 63 8.665 8.665 8.841 -0.176 25786 3707 1 9 . 1 1 64 64 LYS N N 64 122.759 122.759 118.707 4.052 25786 3708 1 9 . 1 1 64 64 LYS HA H 64 4.019 4.019 4.174 -0.155 25786 3709 1 9 . 1 1 64 64 LYS C C 64 177.595 177.595 177.368 0.227 25786 3710 1 9 . 1 1 64 64 LYS CA C 64 58.651 58.651 58.505 0.146 25786 3711 1 9 . 1 1 64 64 LYS CB C 64 31.510 31.510 32.395 -0.885 25786 3712 1 9 . 1 1 64 64 LYS H H 64 8.690 8.690 8.029 0.661 25786 3713 1 9 . 1 1 65 65 ASN N N 65 115.681 115.681 115.445 0.236 25786 3714 1 9 . 1 1 65 65 ASN HA H 65 4.532 4.532 4.836 -0.304 25786 3715 1 9 . 1 1 65 65 ASN C C 65 173.405 173.405 175.029 -1.624 25786 3716 1 9 . 1 1 65 65 ASN CA C 65 53.685 53.685 52.071 1.614 25786 3717 1 9 . 1 1 65 65 ASN CB C 65 39.038 39.038 38.754 0.284 25786 3718 1 9 . 1 1 65 65 ASN H H 65 7.246 7.246 7.722 -0.476 25786 3719 1 9 . 1 1 66 66 GLY N N 66 105.186 105.186 105.600 -0.414 25786 3720 1 9 . 1 1 66 66 GLY C C 66 173.869 173.869 173.756 0.113 25786 3721 1 9 . 1 1 66 66 GLY CA C 66 45.539 45.539 44.968 0.571 25786 3722 1 9 . 1 1 66 66 GLY H H 66 7.603 7.603 7.884 -0.281 25786 3723 1 9 . 1 1 67 67 TYR N N 67 119.699 119.699 121.088 -1.389 25786 3724 1 9 . 1 1 67 67 TYR HA H 67 4.542 4.542 4.422 0.120 25786 3725 1 9 . 1 1 67 67 TYR C C 67 175.838 175.838 176.078 -0.240 25786 3726 1 9 . 1 1 67 67 TYR CA C 67 57.858 57.858 58.343 -0.485 25786 3727 1 9 . 1 1 67 67 TYR CB C 67 38.564 38.564 38.463 0.101 25786 3728 1 9 . 1 1 67 67 TYR H H 67 8.248 8.248 8.142 0.106 25786 3729 1 9 . 1 1 68 68 ARG N N 68 125.588 125.588 126.921 -1.333 25786 3730 1 9 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.436 -0.047 25786 3731 1 9 . 1 1 68 68 ARG C C 68 174.479 174.479 174.877 -0.398 25786 3732 1 9 . 1 1 68 68 ARG CA C 68 55.649 55.649 55.778 -0.129 25786 3733 1 9 . 1 1 68 68 ARG CB C 68 28.357 28.357 28.614 -0.257 25786 3734 1 9 . 1 1 68 68 ARG H H 68 8.550 8.550 8.913 -0.363 25786 3735 1 9 . 1 1 69 69 LEU N N 69 122.034 122.034 122.969 -0.935 25786 3736 1 9 . 1 1 69 69 LEU HA H 69 4.711 4.711 5.022 -0.311 25786 3737 1 9 . 1 1 69 69 LEU C C 69 175.630 175.630 176.289 -0.659 25786 3738 1 9 . 1 1 69 69 LEU CA C 69 53.367 53.367 53.103 0.264 25786 3739 1 9 . 1 1 69 69 LEU CB C 69 44.286 44.286 45.644 -1.358 25786 3740 1 9 . 1 1 69 69 LEU H H 69 7.421 7.421 7.993 -0.572 25786 3741 1 9 . 1 1 70 70 THR N N 70 109.789 109.789 114.364 -4.575 25786 3742 1 9 . 1 1 70 70 THR HA H 70 4.721 4.721 4.549 0.172 25786 3743 1 9 . 1 1 70 70 THR C C 70 174.636 174.636 175.224 -0.588 25786 3744 1 9 . 1 1 70 70 THR CA C 70 59.377 59.377 60.273 -0.896 25786 3745 1 9 . 1 1 70 70 THR CB C 70 72.180 72.180 70.645 1.534 25786 3746 1 9 . 1 1 70 70 THR H H 70 8.163 8.163 9.298 -1.135 25786 3747 1 9 . 1 1 71 71 LEU N N 71 122.563 122.563 122.794 -0.231 25786 3748 1 9 . 1 1 71 71 LEU HA H 71 3.885 3.885 4.049 -0.164 25786 3749 1 9 . 1 1 71 71 LEU C C 71 178.632 178.632 177.763 0.869 25786 3750 1 9 . 1 1 71 71 LEU CA C 71 58.196 58.196 57.109 1.087 25786 3751 1 9 . 1 1 71 71 LEU CB C 71 41.940 41.940 42.064 -0.124 25786 3752 1 9 . 1 1 71 71 LEU H H 71 8.825 8.825 8.436 0.389 25786 3753 1 9 . 1 1 72 72 ARG N N 72 115.949 115.949 118.801 -2.852 25786 3754 1 9 . 1 1 72 72 ARG HA H 72 3.876 3.876 4.032 -0.156 25786 3755 1 9 . 1 1 72 72 ARG C C 72 178.893 178.893 178.163 0.730 25786 3756 1 9 . 1 1 72 72 ARG CA C 72 59.147 59.147 59.579 -0.432 25786 3757 1 9 . 1 1 72 72 ARG CB C 72 29.631 29.631 29.796 -0.165 25786 3758 1 9 . 1 1 72 72 ARG H H 72 8.244 8.244 7.794 0.450 25786 3759 1 9 . 1 1 73 73 GLU N N 73 117.665 117.665 118.850 -1.185 25786 3760 1 9 . 1 1 73 73 GLU HA H 73 3.951 3.951 4.036 -0.085 25786 3761 1 9 . 1 1 73 73 GLU C C 73 178.762 178.762 179.250 -0.488 25786 3762 1 9 . 1 1 73 73 GLU CA C 73 59.092 59.092 59.643 -0.551 25786 3763 1 9 . 1 1 73 73 GLU CB C 73 29.739 29.739 28.826 0.913 25786 3764 1 9 . 1 1 73 73 GLU H H 73 7.461 7.461 7.805 -0.344 25786 3765 1 9 . 1 1 74 74 LEU N N 74 117.724 117.724 118.438 -0.714 25786 3766 1 9 . 1 1 74 74 LEU HA H 74 3.898 3.898 4.136 -0.238 25786 3767 1 9 . 1 1 74 74 LEU C C 74 179.355 179.355 179.618 -0.263 25786 3768 1 9 . 1 1 74 74 LEU CA C 74 57.469 57.469 57.099 0.370 25786 3769 1 9 . 1 1 74 74 LEU CB C 74 41.619 41.619 41.549 0.070 25786 3770 1 9 . 1 1 74 74 LEU H H 74 7.413 7.413 7.290 0.123 25786 3771 1 9 . 1 1 75 75 TYR N N 75 114.976 114.976 117.656 -2.680 25786 3772 1 9 . 1 1 75 75 TYR HA H 75 4.054 4.054 4.406 -0.352 25786 3773 1 9 . 1 1 75 75 TYR C C 75 176.656 176.656 177.723 -1.067 25786 3774 1 9 . 1 1 75 75 TYR CA C 75 60.638 60.638 59.812 0.826 25786 3775 1 9 . 1 1 75 75 TYR CB C 75 39.688 39.688 37.716 1.972 25786 3776 1 9 . 1 1 75 75 TYR H H 75 8.086 8.086 7.520 0.566 25786 3777 1 9 . 1 1 76 76 ALA N N 76 119.116 119.116 120.974 -1.858 25786 3778 1 9 . 1 1 76 76 ALA HA H 76 4.052 4.052 4.254 -0.202 25786 3779 1 9 . 1 1 76 76 ALA C C 76 178.156 178.156 177.407 0.749 25786 3780 1 9 . 1 1 76 76 ALA CA C 76 54.468 54.468 53.612 0.856 25786 3781 1 9 . 1 1 76 76 ALA CB C 76 18.535 18.535 19.596 -1.061 25786 3782 1 9 . 1 1 76 76 ALA H H 76 7.776 7.776 7.615 0.161 25786 3783 1 9 . 1 1 77 77 ALA N N 77 116.862 116.862 119.686 -2.824 25786 3784 1 9 . 1 1 77 77 ALA C C 77 173.737 173.737 174.410 -0.673 25786 3785 1 9 . 1 1 77 77 ALA CA C 77 49.713 49.713 50.305 -0.592 25786 3786 1 9 . 1 1 77 77 ALA CB C 77 19.226 19.226 19.998 -0.772 25786 3787 1 9 . 1 1 77 77 ALA H H 77 6.706 6.706 7.649 -0.943 25786 3788 1 9 . 1 1 78 78 PRO HA H 78 5.018 5.018 4.970 0.048 25786 3789 1 9 . 1 1 78 78 PRO CA C 78 61.523 61.523 62.756 -1.233 25786 3790 1 9 . 1 1 78 78 PRO CB C 78 28.845 28.845 30.055 -1.210 25786 3791 1 9 . 1 1 79 79 THR N N 79 111.947 111.947 111.916 0.031 25786 3792 1 9 . 1 1 79 79 THR HA H 79 4.396 4.396 5.010 -0.614 25786 3793 1 9 . 1 1 79 79 THR C C 79 173.000 173.000 174.709 -1.709 25786 3794 1 9 . 1 1 79 79 THR CA C 79 58.059 58.059 58.987 -0.928 25786 3795 1 9 . 1 1 79 79 THR CB C 79 72.247 72.247 72.842 -0.595 25786 3796 1 9 . 1 1 79 79 THR H H 79 7.664 7.664 7.394 0.270 25786 3797 1 9 . 1 1 80 80 LEU N N 80 123.227 123.227 122.959 0.268 25786 3798 1 9 . 1 1 80 80 LEU HA H 80 3.747 3.747 3.931 -0.184 25786 3799 1 9 . 1 1 80 80 LEU C C 80 179.028 179.028 177.985 1.043 25786 3800 1 9 . 1 1 80 80 LEU CA C 80 58.209 58.209 57.739 0.470 25786 3801 1 9 . 1 1 80 80 LEU CB C 80 41.579 41.579 41.760 -0.181 25786 3802 1 9 . 1 1 80 80 LEU H H 80 9.609 9.609 8.860 0.749 25786 3803 1 9 . 1 1 81 81 ALA N N 81 119.663 119.663 121.819 -2.156 25786 3804 1 9 . 1 1 81 81 ALA HA H 81 4.141 4.141 3.875 0.266 25786 3805 1 9 . 1 1 81 81 ALA C C 81 181.038 181.038 179.231 1.807 25786 3806 1 9 . 1 1 81 81 ALA CA C 81 54.876 54.876 55.366 -0.490 25786 3807 1 9 . 1 1 81 81 ALA CB C 81 18.428 18.428 17.828 0.600 25786 3808 1 9 . 1 1 81 81 ALA H H 81 8.831 8.831 8.413 0.418 25786 3809 1 9 . 1 1 82 82 ALA N N 82 122.181 122.181 121.878 0.303 25786 3810 1 9 . 1 1 82 82 ALA HA H 82 4.225 4.225 4.178 0.047 25786 3811 1 9 . 1 1 82 82 ALA C C 82 181.868 181.868 179.801 2.067 25786 3812 1 9 . 1 1 82 82 ALA CA C 82 54.808 54.808 54.615 0.193 25786 3813 1 9 . 1 1 82 82 ALA CB C 82 19.088 19.088 18.570 0.517 25786 3814 1 9 . 1 1 82 82 ALA H H 82 8.272 8.272 7.754 0.518 25786 3815 1 9 . 1 1 83 83 TRP N N 83 123.399 123.399 119.524 3.875 25786 3816 1 9 . 1 1 83 83 TRP HA H 83 4.543 4.543 4.211 0.332 25786 3817 1 9 . 1 1 83 83 TRP C C 83 178.633 178.633 178.669 -0.036 25786 3818 1 9 . 1 1 83 83 TRP CA C 83 59.562 59.562 59.298 0.264 25786 3819 1 9 . 1 1 83 83 TRP CB C 83 28.301 28.301 28.465 -0.164 25786 3820 1 9 . 1 1 83 83 TRP H H 83 9.378 9.378 8.240 1.138 25786 3821 1 9 . 1 1 84 84 ASN N N 84 118.250 118.250 117.364 0.886 25786 3822 1 9 . 1 1 84 84 ASN HA H 84 4.616 4.616 4.298 0.318 25786 3823 1 9 . 1 1 84 84 ASN C C 84 177.231 177.231 177.769 -0.538 25786 3824 1 9 . 1 1 84 84 ASN CA C 84 57.096 57.096 55.838 1.258 25786 3825 1 9 . 1 1 84 84 ASN CB C 84 39.229 39.229 37.858 1.371 25786 3826 1 9 . 1 1 84 84 ASN H H 84 9.136 9.136 8.347 0.789 25786 3827 1 9 . 1 1 85 85 GLN N N 85 116.261 116.261 120.143 -3.882 25786 3828 1 9 . 1 1 85 85 GLN HA H 85 4.011 4.011 4.019 -0.008 25786 3829 1 9 . 1 1 85 85 GLN C C 85 179.455 179.455 178.766 0.689 25786 3830 1 9 . 1 1 85 85 GLN CA C 85 58.748 58.748 58.972 -0.224 25786 3831 1 9 . 1 1 85 85 GLN CB C 85 27.840 27.840 28.675 -0.835 25786 3832 1 9 . 1 1 85 85 GLN H H 85 7.511 7.511 8.001 -0.490 25786 3833 1 9 . 1 1 86 86 LEU N N 86 121.554 121.554 117.657 3.897 25786 3834 1 9 . 1 1 86 86 LEU HA H 86 4.041 4.041 4.027 0.014 25786 3835 1 9 . 1 1 86 86 LEU C C 86 179.171 179.171 178.145 1.026 25786 3836 1 9 . 1 1 86 86 LEU CA C 86 57.804 57.804 57.107 0.697 25786 3837 1 9 . 1 1 86 86 LEU CB C 86 41.915 41.915 41.656 0.259 25786 3838 1 9 . 1 1 86 86 LEU H H 86 8.172 8.172 8.462 -0.290 25786 3839 1 9 . 1 1 87 87 MET N N 87 117.874 117.874 116.321 1.553 25786 3840 1 9 . 1 1 87 87 MET HA H 87 3.752 3.752 4.343 -0.591 25786 3841 1 9 . 1 1 87 87 MET C C 87 178.221 178.221 178.367 -0.146 25786 3842 1 9 . 1 1 87 87 MET CA C 87 59.481 59.481 58.888 0.593 25786 3843 1 9 . 1 1 87 87 MET CB C 87 34.875 34.875 33.409 1.466 25786 3844 1 9 . 1 1 87 87 MET H H 87 8.197 8.197 7.173 1.024 25786 3845 1 9 . 1 1 88 88 LEU N N 88 117.598 117.598 121.770 -4.172 25786 3846 1 9 . 1 1 88 88 LEU HA H 88 4.054 4.054 4.347 -0.293 25786 3847 1 9 . 1 1 88 88 LEU C C 88 179.237 179.237 179.070 0.167 25786 3848 1 9 . 1 1 88 88 LEU CA C 88 57.076 57.076 57.761 -0.685 25786 3849 1 9 . 1 1 88 88 LEU CB C 88 42.395 42.395 41.835 0.560 25786 3850 1 9 . 1 1 88 88 LEU H H 88 7.902 7.902 7.940 -0.038 25786 3851 1 9 . 1 1 89 89 SER N N 89 113.195 113.195 116.625 -3.430 25786 3852 1 9 . 1 1 89 89 SER HA H 89 4.038 4.038 4.293 -0.255 25786 3853 1 9 . 1 1 89 89 SER C C 89 175.090 175.090 174.846 0.244 25786 3854 1 9 . 1 1 89 89 SER CA C 89 59.901 59.901 60.980 -1.079 25786 3855 1 9 . 1 1 89 89 SER CB C 89 63.834 63.834 63.004 0.830 25786 3856 1 9 . 1 1 89 89 SER H H 89 7.958 7.958 8.677 -0.719 25786 3857 1 9 . 1 1 90 90 ARG N N 90 122.031 122.031 117.391 4.640 25786 3858 1 9 . 1 1 90 90 ARG HA H 90 4.701 4.701 4.602 0.099 25786 3859 1 9 . 1 1 90 90 ARG C C 90 175.695 175.695 175.360 0.335 25786 3860 1 9 . 1 1 90 90 ARG CA C 90 53.905 53.905 55.602 -1.697 25786 3861 1 9 . 1 1 90 90 ARG CB C 90 29.631 29.631 30.953 -1.322 25786 3862 1 9 . 1 1 90 90 ARG H H 90 7.923 7.923 7.487 0.436 25786 3863 1 9 . 1 1 91 91 SER N N 91 117.191 117.191 116.952 0.239 25786 3864 1 9 . 1 1 91 91 SER C C 91 172.914 172.914 172.206 0.708 25786 3865 1 9 . 1 1 91 91 SER CA C 91 57.104 57.104 56.463 0.641 25786 3866 1 9 . 1 1 91 91 SER CB C 91 63.437 63.437 64.898 -1.461 25786 3867 1 9 . 1 1 91 91 SER H H 91 7.752 7.752 8.053 -0.301 25786 3868 1 9 . 1 1 92 92 PRO HA H 92 4.420 4.420 4.752 -0.332 25786 3869 1 9 . 1 1 92 92 PRO CA C 92 63.414 63.414 62.419 0.995 25786 3870 1 9 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.179 -0.284 25786 3871 1 10 . 1 1 15 15 ASN N N 15 119.857 119.857 119.247 0.610 25786 3872 1 10 . 1 1 15 15 ASN HA H 15 4.719 4.719 4.931 -0.212 25786 3873 1 10 . 1 1 15 15 ASN C C 15 175.735 175.735 174.503 1.232 25786 3874 1 10 . 1 1 15 15 ASN CA C 15 53.556 53.556 52.907 0.649 25786 3875 1 10 . 1 1 15 15 ASN CB C 15 38.731 38.731 39.326 -0.595 25786 3876 1 10 . 1 1 15 15 ASN H H 15 8.425 8.425 8.285 0.140 25786 3877 1 10 . 1 1 16 16 ARG N N 16 122.030 122.030 123.946 -1.916 25786 3878 1 10 . 1 1 16 16 ARG HA H 16 4.211 4.211 4.401 -0.190 25786 3879 1 10 . 1 1 16 16 ARG C C 16 176.669 176.669 177.281 -0.612 25786 3880 1 10 . 1 1 16 16 ARG CA C 16 57.735 57.735 56.257 1.478 25786 3881 1 10 . 1 1 16 16 ARG CB C 16 30.224 30.224 30.500 -0.276 25786 3882 1 10 . 1 1 16 16 ARG H H 16 8.347 8.347 8.526 -0.179 25786 3883 1 10 . 1 1 17 17 HIS N N 17 118.590 118.590 121.456 -2.866 25786 3884 1 10 . 1 1 17 17 HIS HA H 17 4.563 4.563 4.566 -0.003 25786 3885 1 10 . 1 1 17 17 HIS C C 17 176.284 176.284 177.104 -0.820 25786 3886 1 10 . 1 1 17 17 HIS CA C 17 58.394 58.394 58.986 -0.592 25786 3887 1 10 . 1 1 17 17 HIS CB C 17 30.362 30.362 30.203 0.159 25786 3888 1 10 . 1 1 17 17 HIS H H 17 8.395 8.395 8.254 0.141 25786 3889 1 10 . 1 1 18 18 ALA N N 18 122.047 122.047 121.417 0.630 25786 3890 1 10 . 1 1 18 18 ALA HA H 18 4.182 4.182 4.242 -0.060 25786 3891 1 10 . 1 1 18 18 ALA C C 18 180.003 180.003 178.195 1.808 25786 3892 1 10 . 1 1 18 18 ALA CA C 18 54.294 54.294 54.271 0.023 25786 3893 1 10 . 1 1 18 18 ALA CB C 18 18.849 18.849 18.030 0.819 25786 3894 1 10 . 1 1 18 18 ALA H H 18 8.436 8.436 8.678 -0.242 25786 3895 1 10 . 1 1 19 19 ALA N N 19 122.607 122.607 121.070 1.537 25786 3896 1 10 . 1 1 19 19 ALA HA H 19 4.275 4.275 4.131 0.144 25786 3897 1 10 . 1 1 19 19 ALA C C 19 180.295 180.295 179.636 0.659 25786 3898 1 10 . 1 1 19 19 ALA CA C 19 55.040 55.040 54.524 0.516 25786 3899 1 10 . 1 1 19 19 ALA CB C 19 18.267 18.267 18.654 -0.387 25786 3900 1 10 . 1 1 19 19 ALA H H 19 8.402 8.402 7.609 0.793 25786 3901 1 10 . 1 1 20 20 ASP N N 20 118.796 118.796 120.163 -1.367 25786 3902 1 10 . 1 1 20 20 ASP HA H 20 4.837 4.837 4.607 0.230 25786 3903 1 10 . 1 1 20 20 ASP C C 20 177.313 177.313 177.951 -0.638 25786 3904 1 10 . 1 1 20 20 ASP CA C 20 56.725 56.725 58.015 -1.290 25786 3905 1 10 . 1 1 20 20 ASP CB C 20 40.189 40.189 40.910 -0.721 25786 3906 1 10 . 1 1 20 20 ASP H H 20 8.317 8.317 8.675 -0.358 25786 3907 1 10 . 1 1 21 21 TYR N N 21 120.958 120.958 120.280 0.678 25786 3908 1 10 . 1 1 21 21 TYR HA H 21 4.058 4.058 4.283 -0.225 25786 3909 1 10 . 1 1 21 21 TYR C C 21 176.282 176.282 177.279 -0.997 25786 3910 1 10 . 1 1 21 21 TYR CA C 21 61.892 61.892 61.107 0.785 25786 3911 1 10 . 1 1 21 21 TYR CB C 21 38.655 38.655 38.121 0.534 25786 3912 1 10 . 1 1 21 21 TYR H H 21 8.679 8.679 8.512 0.167 25786 3913 1 10 . 1 1 22 22 GLN N N 22 117.715 117.715 118.580 -0.865 25786 3914 1 10 . 1 1 22 22 GLN HA H 22 3.826 3.826 3.596 0.230 25786 3915 1 10 . 1 1 22 22 GLN C C 22 178.197 178.197 178.145 0.052 25786 3916 1 10 . 1 1 22 22 GLN CA C 22 59.110 59.110 58.844 0.265 25786 3917 1 10 . 1 1 22 22 GLN CB C 22 27.430 27.430 27.918 -0.488 25786 3918 1 10 . 1 1 22 22 GLN H H 22 8.236 8.236 7.806 0.430 25786 3919 1 10 . 1 1 23 23 GLN N N 23 118.526 118.526 119.365 -0.839 25786 3920 1 10 . 1 1 23 23 GLN HA H 23 4.100 4.100 4.310 -0.210 25786 3921 1 10 . 1 1 23 23 GLN C C 23 177.521 177.521 178.851 -1.330 25786 3922 1 10 . 1 1 23 23 GLN CA C 23 58.915 58.915 58.563 0.352 25786 3923 1 10 . 1 1 23 23 GLN CB C 23 29.032 29.032 28.397 0.635 25786 3924 1 10 . 1 1 23 23 GLN H H 23 8.003 8.003 8.047 -0.044 25786 3925 1 10 . 1 1 24 24 LEU N N 24 121.914 121.914 121.614 0.300 25786 3926 1 10 . 1 1 24 24 LEU HA H 24 3.444 3.444 3.143 0.301 25786 3927 1 10 . 1 1 24 24 LEU C C 24 176.882 176.882 177.910 -1.028 25786 3928 1 10 . 1 1 24 24 LEU CA C 24 58.115 58.115 58.075 0.040 25786 3929 1 10 . 1 1 24 24 LEU CB C 24 41.704 41.704 41.626 0.078 25786 3930 1 10 . 1 1 24 24 LEU H H 24 8.031 8.031 8.514 -0.483 25786 3931 1 10 . 1 1 25 25 ARG N N 25 116.645 116.645 118.415 -1.770 25786 3932 1 10 . 1 1 25 25 ARG HA H 25 3.395 3.395 3.692 -0.297 25786 3933 1 10 . 1 1 25 25 ARG C C 25 177.469 177.469 178.280 -0.811 25786 3934 1 10 . 1 1 25 25 ARG CA C 25 60.246 60.246 59.479 0.767 25786 3935 1 10 . 1 1 25 25 ARG CB C 25 29.925 29.925 29.849 0.076 25786 3936 1 10 . 1 1 25 25 ARG H H 25 7.981 7.981 8.051 -0.070 25786 3937 1 10 . 1 1 26 26 GLU N N 26 115.943 115.943 119.226 -3.283 25786 3938 1 10 . 1 1 26 26 GLU HA H 26 3.832 3.832 3.839 -0.007 25786 3939 1 10 . 1 1 26 26 GLU C C 26 179.682 179.682 178.939 0.743 25786 3940 1 10 . 1 1 26 26 GLU CA C 26 59.517 59.517 59.548 -0.032 25786 3941 1 10 . 1 1 26 26 GLU CB C 26 29.439 29.439 29.276 0.163 25786 3942 1 10 . 1 1 26 26 GLU H H 26 8.160 8.160 8.349 -0.189 25786 3943 1 10 . 1 1 27 27 ARG N N 27 118.766 118.766 119.881 -1.115 25786 3944 1 10 . 1 1 27 27 ARG HA H 27 4.144 4.144 4.092 0.052 25786 3945 1 10 . 1 1 27 27 ARG C C 27 179.241 179.241 178.629 0.612 25786 3946 1 10 . 1 1 27 27 ARG CA C 27 58.855 58.855 58.994 -0.139 25786 3947 1 10 . 1 1 27 27 ARG CB C 27 29.996 29.996 30.209 -0.213 25786 3948 1 10 . 1 1 27 27 ARG H H 27 8.283 8.283 7.750 0.533 25786 3949 1 10 . 1 1 28 28 LEU N N 28 122.077 122.077 120.902 1.175 25786 3950 1 10 . 1 1 28 28 LEU HA H 28 4.106 4.106 4.010 0.096 25786 3951 1 10 . 1 1 28 28 LEU C C 28 178.766 178.766 179.010 -0.244 25786 3952 1 10 . 1 1 28 28 LEU CA C 28 58.558 58.558 58.125 0.433 25786 3953 1 10 . 1 1 28 28 LEU CB C 28 42.514 42.514 41.708 0.806 25786 3954 1 10 . 1 1 28 28 LEU H H 28 8.389 8.389 7.949 0.440 25786 3955 1 10 . 1 1 29 29 ILE N N 29 117.586 117.586 118.852 -1.266 25786 3956 1 10 . 1 1 29 29 ILE HA H 29 3.339 3.339 3.550 -0.211 25786 3957 1 10 . 1 1 29 29 ILE C C 29 177.927 177.927 178.109 -0.182 25786 3958 1 10 . 1 1 29 29 ILE CA C 29 66.203 66.203 65.570 0.633 25786 3959 1 10 . 1 1 29 29 ILE CB C 29 37.823 37.823 37.578 0.245 25786 3960 1 10 . 1 1 29 29 ILE H H 29 7.914 7.914 8.294 -0.380 25786 3961 1 10 . 1 1 30 30 GLN N N 30 116.395 116.395 117.699 -1.304 25786 3962 1 10 . 1 1 30 30 GLN HA H 30 4.157 4.157 4.158 -0.001 25786 3963 1 10 . 1 1 30 30 GLN C C 30 179.400 179.400 179.298 0.102 25786 3964 1 10 . 1 1 30 30 GLN CA C 30 58.410 58.410 57.998 0.412 25786 3965 1 10 . 1 1 30 30 GLN CB C 30 28.804 28.804 28.332 0.471 25786 3966 1 10 . 1 1 30 30 GLN H H 30 7.287 7.287 7.620 -0.333 25786 3967 1 10 . 1 1 31 31 GLU N N 31 120.336 120.336 121.149 -0.813 25786 3968 1 10 . 1 1 31 31 GLU HA H 31 4.023 4.023 4.171 -0.148 25786 3969 1 10 . 1 1 31 31 GLU C C 31 178.395 178.395 178.406 -0.011 25786 3970 1 10 . 1 1 31 31 GLU CA C 31 59.377 59.377 58.877 0.500 25786 3971 1 10 . 1 1 31 31 GLU CB C 31 30.436 30.436 29.804 0.632 25786 3972 1 10 . 1 1 31 31 GLU H H 31 8.814 8.814 8.425 0.389 25786 3973 1 10 . 1 1 32 32 LEU N N 32 115.139 115.139 116.918 -1.779 25786 3974 1 10 . 1 1 32 32 LEU HA H 32 4.377 4.377 4.428 -0.051 25786 3975 1 10 . 1 1 32 32 LEU C C 32 176.033 176.033 176.530 -0.497 25786 3976 1 10 . 1 1 32 32 LEU CA C 32 54.101 54.101 54.216 -0.115 25786 3977 1 10 . 1 1 32 32 LEU CB C 32 41.354 41.354 42.186 -0.832 25786 3978 1 10 . 1 1 32 32 LEU H H 32 8.109 8.109 8.131 -0.022 25786 3979 1 10 . 1 1 33 33 ASN N N 33 116.751 116.751 115.334 1.417 25786 3980 1 10 . 1 1 33 33 ASN HA H 33 4.453 4.453 4.387 0.066 25786 3981 1 10 . 1 1 33 33 ASN C C 33 174.288 174.288 174.634 -0.346 25786 3982 1 10 . 1 1 33 33 ASN CA C 33 54.024 54.024 53.956 0.068 25786 3983 1 10 . 1 1 33 33 ASN CB C 33 36.929 36.929 37.586 -0.657 25786 3984 1 10 . 1 1 33 33 ASN H H 33 7.796 7.796 7.785 0.011 25786 3985 1 10 . 1 1 34 34 LEU N N 34 117.139 117.139 117.183 -0.044 25786 3986 1 10 . 1 1 34 34 LEU HA H 34 4.787 4.787 4.726 0.061 25786 3987 1 10 . 1 1 34 34 LEU C C 34 176.521 176.521 175.488 1.033 25786 3988 1 10 . 1 1 34 34 LEU CA C 34 53.079 53.079 53.994 -0.915 25786 3989 1 10 . 1 1 34 34 LEU CB C 34 44.673 44.673 44.304 0.368 25786 3990 1 10 . 1 1 34 34 LEU H H 34 7.728 7.728 8.578 -0.850 25786 3991 1 10 . 1 1 35 35 THR N N 35 110.751 110.751 107.469 3.282 25786 3992 1 10 . 1 1 35 35 THR HA H 35 4.803 4.803 4.782 0.021 25786 3993 1 10 . 1 1 35 35 THR C C 35 174.438 174.438 172.925 1.513 25786 3994 1 10 . 1 1 35 35 THR CA C 35 59.445 59.445 58.979 0.466 25786 3995 1 10 . 1 1 35 35 THR CB C 35 68.651 68.651 69.800 -1.149 25786 3996 1 10 . 1 1 35 35 THR H H 35 8.001 8.001 7.948 0.053 25786 3997 1 10 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.451 -0.374 25786 3998 1 10 . 1 1 36 36 PRO CA C 36 65.645 65.645 64.414 1.231 25786 3999 1 10 . 1 1 36 36 PRO CB C 36 31.632 31.632 31.777 -0.145 25786 4000 1 10 . 1 1 37 37 GLN N N 37 112.874 112.874 115.027 -2.153 25786 4001 1 10 . 1 1 37 37 GLN HA H 37 4.105 4.105 4.368 -0.263 25786 4002 1 10 . 1 1 37 37 GLN C C 37 176.960 176.960 177.469 -0.509 25786 4003 1 10 . 1 1 37 37 GLN CA C 37 57.891 57.891 56.421 1.470 25786 4004 1 10 . 1 1 37 37 GLN CB C 37 27.902 27.902 28.835 -0.933 25786 4005 1 10 . 1 1 37 37 GLN H H 37 8.005 8.005 7.589 0.416 25786 4006 1 10 . 1 1 38 38 GLN N N 38 116.477 116.477 118.475 -1.998 25786 4007 1 10 . 1 1 38 38 GLN HA H 38 4.187 4.187 4.262 -0.075 25786 4008 1 10 . 1 1 38 38 GLN C C 38 175.508 175.508 177.366 -1.858 25786 4009 1 10 . 1 1 38 38 GLN CA C 38 56.398 56.398 57.007 -0.609 25786 4010 1 10 . 1 1 38 38 GLN CB C 38 31.126 31.126 29.633 1.494 25786 4011 1 10 . 1 1 38 38 GLN H H 38 7.663 7.663 7.834 -0.171 25786 4012 1 10 . 1 1 39 39 LEU N N 39 120.726 120.726 121.922 -1.196 25786 4013 1 10 . 1 1 39 39 LEU HA H 39 4.371 4.371 4.479 -0.108 25786 4014 1 10 . 1 1 39 39 LEU C C 39 174.277 174.277 174.979 -0.702 25786 4015 1 10 . 1 1 39 39 LEU CA C 39 53.959 53.959 53.673 0.286 25786 4016 1 10 . 1 1 39 39 LEU CB C 39 41.610 41.610 41.879 -0.269 25786 4017 1 10 . 1 1 39 39 LEU H H 39 7.286 7.286 8.248 -0.962 25786 4018 1 10 . 1 1 40 40 HIS N N 40 124.680 124.680 125.664 -0.984 25786 4019 1 10 . 1 1 40 40 HIS HA H 40 4.808 4.808 4.637 0.171 25786 4020 1 10 . 1 1 40 40 HIS C C 40 176.727 176.727 176.131 0.596 25786 4021 1 10 . 1 1 40 40 HIS CA C 40 54.762 54.762 56.451 -1.689 25786 4022 1 10 . 1 1 40 40 HIS CB C 40 31.521 31.521 33.063 -1.542 25786 4023 1 10 . 1 1 40 40 HIS H H 40 8.158 8.158 8.402 -0.244 25786 4024 1 10 . 1 1 41 41 GLU HA H 41 4.029 4.029 4.077 -0.048 25786 4025 1 10 . 1 1 42 42 GLU N N 42 113.813 113.813 117.938 -4.125 25786 4026 1 10 . 1 1 42 42 GLU HA H 42 4.547 4.547 4.345 0.202 25786 4027 1 10 . 1 1 42 42 GLU C C 42 176.680 176.680 176.224 0.456 25786 4028 1 10 . 1 1 42 42 GLU CA C 42 55.313 55.313 56.162 -0.849 25786 4029 1 10 . 1 1 42 42 GLU CB C 42 29.165 29.165 29.160 0.005 25786 4030 1 10 . 1 1 42 42 GLU H H 42 8.808 8.808 8.064 0.744 25786 4031 1 10 . 1 1 43 43 SER N N 43 118.066 118.066 116.844 1.222 25786 4032 1 10 . 1 1 43 43 SER HA H 43 4.088 4.088 4.346 -0.258 25786 4033 1 10 . 1 1 43 43 SER C C 43 173.663 173.663 173.628 0.035 25786 4034 1 10 . 1 1 43 43 SER CA C 43 60.156 60.156 58.948 1.208 25786 4035 1 10 . 1 1 43 43 SER CB C 43 62.827 62.827 63.902 -1.075 25786 4036 1 10 . 1 1 43 43 SER H H 43 7.485 7.485 7.583 -0.098 25786 4037 1 10 . 1 1 44 44 ASN N N 44 123.218 123.218 124.154 -0.936 25786 4038 1 10 . 1 1 44 44 ASN HA H 44 4.392 4.392 4.952 -0.560 25786 4039 1 10 . 1 1 44 44 ASN C C 44 176.926 176.926 176.479 0.447 25786 4040 1 10 . 1 1 44 44 ASN CA C 44 53.987 53.987 53.614 0.373 25786 4041 1 10 . 1 1 44 44 ASN CB C 44 38.433 38.433 38.968 -0.535 25786 4042 1 10 . 1 1 44 44 ASN H H 44 8.811 8.811 8.792 0.019 25786 4043 1 10 . 1 1 45 45 LEU N N 45 128.735 128.735 125.704 3.031 25786 4044 1 10 . 1 1 45 45 LEU HA H 45 3.722 3.722 3.975 -0.253 25786 4045 1 10 . 1 1 45 45 LEU C C 45 178.143 178.143 178.477 -0.334 25786 4046 1 10 . 1 1 45 45 LEU CA C 45 57.149 57.149 57.361 -0.212 25786 4047 1 10 . 1 1 45 45 LEU CB C 45 42.250 42.250 41.991 0.259 25786 4048 1 10 . 1 1 45 45 LEU H H 45 9.385 9.385 8.363 1.022 25786 4049 1 10 . 1 1 46 46 ILE N N 46 119.379 119.379 119.044 0.335 25786 4050 1 10 . 1 1 46 46 ILE HA H 46 4.187 4.187 4.048 0.139 25786 4051 1 10 . 1 1 46 46 ILE C C 46 180.926 180.926 179.314 1.612 25786 4052 1 10 . 1 1 46 46 ILE CA C 46 63.814 63.814 64.486 -0.672 25786 4053 1 10 . 1 1 46 46 ILE CB C 46 36.709 36.709 37.880 -1.171 25786 4054 1 10 . 1 1 46 46 ILE H H 46 7.659 7.659 7.514 0.145 25786 4055 1 10 . 1 1 47 47 GLN N N 47 121.737 121.737 118.549 3.188 25786 4056 1 10 . 1 1 47 47 GLN HA H 47 3.989 3.989 4.177 -0.188 25786 4057 1 10 . 1 1 47 47 GLN C C 47 177.739 177.739 176.685 1.054 25786 4058 1 10 . 1 1 47 47 GLN CA C 47 58.033 58.033 57.950 0.083 25786 4059 1 10 . 1 1 47 47 GLN CB C 47 27.985 27.985 28.026 -0.041 25786 4060 1 10 . 1 1 47 47 GLN H H 47 8.161 8.161 8.825 -0.664 25786 4061 1 10 . 1 1 48 48 ALA N N 48 117.777 117.777 119.263 -1.486 25786 4062 1 10 . 1 1 48 48 ALA HA H 48 4.260 4.260 4.499 -0.239 25786 4063 1 10 . 1 1 48 48 ALA C C 48 176.582 176.582 177.526 -0.944 25786 4064 1 10 . 1 1 48 48 ALA CA C 48 52.710 52.710 51.738 0.972 25786 4065 1 10 . 1 1 48 48 ALA CB C 48 18.601 18.601 19.702 -1.101 25786 4066 1 10 . 1 1 48 48 ALA H H 48 7.448 7.448 7.200 0.248 25786 4067 1 10 . 1 1 49 49 GLY N N 49 102.932 102.932 106.894 -3.962 25786 4068 1 10 . 1 1 49 49 GLY C C 49 174.451 174.451 173.284 1.167 25786 4069 1 10 . 1 1 49 49 GLY CA C 49 44.967 44.967 44.893 0.074 25786 4070 1 10 . 1 1 49 49 GLY H H 49 7.445 7.445 7.851 -0.406 25786 4071 1 10 . 1 1 50 50 LEU N N 50 123.058 123.058 121.400 1.658 25786 4072 1 10 . 1 1 50 50 LEU HA H 50 4.257 4.257 4.930 -0.673 25786 4073 1 10 . 1 1 50 50 LEU C C 50 173.460 173.460 174.840 -1.380 25786 4074 1 10 . 1 1 50 50 LEU CA C 50 55.909 55.909 53.720 2.189 25786 4075 1 10 . 1 1 50 50 LEU CB C 50 41.454 41.454 45.017 -3.563 25786 4076 1 10 . 1 1 50 50 LEU H H 50 8.545 8.545 7.450 1.095 25786 4077 1 10 . 1 1 54 54 ARG N N 54 121.407 121.407 121.875 -0.468 25786 4078 1 10 . 1 1 54 54 ARG HA H 54 4.088 4.088 3.995 0.093 25786 4079 1 10 . 1 1 54 54 ARG C C 54 179.647 179.647 178.334 1.313 25786 4080 1 10 . 1 1 54 54 ARG CA C 54 59.615 59.615 59.427 0.188 25786 4081 1 10 . 1 1 54 54 ARG CB C 54 30.633 30.633 30.886 -0.253 25786 4082 1 10 . 1 1 54 54 ARG H H 54 8.412 8.412 8.981 -0.569 25786 4083 1 10 . 1 1 55 55 LEU N N 55 121.118 121.118 121.455 -0.337 25786 4084 1 10 . 1 1 55 55 LEU HA H 55 4.332 4.332 4.550 -0.218 25786 4085 1 10 . 1 1 55 55 LEU C C 55 178.416 178.416 178.344 0.072 25786 4086 1 10 . 1 1 55 55 LEU CA C 55 59.035 59.035 58.142 0.893 25786 4087 1 10 . 1 1 55 55 LEU CB C 55 41.718 41.718 42.304 -0.587 25786 4088 1 10 . 1 1 55 55 LEU H H 55 9.050 9.050 8.421 0.629 25786 4089 1 10 . 1 1 56 56 MET N N 56 117.969 117.969 118.383 -0.414 25786 4090 1 10 . 1 1 56 56 MET HA H 56 4.284 4.284 4.172 0.112 25786 4091 1 10 . 1 1 56 56 MET C C 56 178.301 178.301 178.654 -0.353 25786 4092 1 10 . 1 1 56 56 MET CA C 56 57.927 57.927 58.986 -1.059 25786 4093 1 10 . 1 1 56 56 MET CB C 56 31.317 31.317 32.066 -0.749 25786 4094 1 10 . 1 1 56 56 MET H H 56 7.875 7.875 8.117 -0.242 25786 4095 1 10 . 1 1 57 57 ARG N N 57 119.532 119.532 118.894 0.638 25786 4096 1 10 . 1 1 57 57 ARG HA H 57 4.096 4.096 3.938 0.158 25786 4097 1 10 . 1 1 57 57 ARG C C 57 180.458 180.458 178.482 1.976 25786 4098 1 10 . 1 1 57 57 ARG CA C 57 59.770 59.770 59.721 0.049 25786 4099 1 10 . 1 1 57 57 ARG CB C 57 29.520 29.520 29.499 0.021 25786 4100 1 10 . 1 1 57 57 ARG H H 57 7.609 7.609 8.086 -0.477 25786 4101 1 10 . 1 1 58 58 TRP N N 58 121.820 121.820 120.334 1.486 25786 4102 1 10 . 1 1 58 58 TRP HA H 58 4.465 4.465 4.363 0.102 25786 4103 1 10 . 1 1 58 58 TRP C C 58 177.973 177.973 178.569 -0.596 25786 4104 1 10 . 1 1 58 58 TRP CA C 58 61.063 61.063 59.300 1.763 25786 4105 1 10 . 1 1 58 58 TRP CB C 58 28.348 28.348 29.430 -1.082 25786 4106 1 10 . 1 1 58 58 TRP H H 58 8.207 8.207 7.805 0.402 25786 4107 1 10 . 1 1 59 59 LEU N N 59 121.654 121.654 121.213 0.441 25786 4108 1 10 . 1 1 59 59 LEU HA H 59 4.274 4.274 4.225 0.049 25786 4109 1 10 . 1 1 59 59 LEU C C 59 178.823 178.823 178.423 0.400 25786 4110 1 10 . 1 1 59 59 LEU CA C 59 59.044 59.044 57.523 1.521 25786 4111 1 10 . 1 1 59 59 LEU CB C 59 40.851 40.851 41.084 -0.233 25786 4112 1 10 . 1 1 59 59 LEU H H 59 8.599 8.599 7.909 0.690 25786 4113 1 10 . 1 1 60 60 HIS N N 60 116.952 116.952 118.163 -1.211 25786 4114 1 10 . 1 1 60 60 HIS HA H 60 4.389 4.389 4.295 0.094 25786 4115 1 10 . 1 1 60 60 HIS C C 60 177.635 177.635 177.590 0.045 25786 4116 1 10 . 1 1 60 60 HIS CA C 60 59.755 59.755 61.093 -1.338 25786 4117 1 10 . 1 1 60 60 HIS CB C 60 30.083 30.083 29.609 0.474 25786 4118 1 10 . 1 1 60 60 HIS H H 60 7.909 7.909 8.093 -0.184 25786 4119 1 10 . 1 1 61 61 TRP N N 61 123.194 123.194 121.997 1.197 25786 4120 1 10 . 1 1 61 61 TRP HA H 61 4.032 4.032 4.250 -0.218 25786 4121 1 10 . 1 1 61 61 TRP C C 61 179.298 179.298 177.542 1.756 25786 4122 1 10 . 1 1 61 61 TRP CA C 61 62.541 62.541 61.103 1.438 25786 4123 1 10 . 1 1 61 61 TRP CB C 61 28.839 28.839 29.271 -0.432 25786 4124 1 10 . 1 1 61 61 TRP H H 61 8.142 8.142 7.915 0.227 25786 4125 1 10 . 1 1 62 62 PHE N N 62 120.038 120.038 116.961 3.077 25786 4126 1 10 . 1 1 62 62 PHE HA H 62 4.205 4.205 3.817 0.388 25786 4127 1 10 . 1 1 62 62 PHE C C 62 179.080 179.080 178.570 0.510 25786 4128 1 10 . 1 1 62 62 PHE CA C 62 63.629 63.629 62.074 1.555 25786 4129 1 10 . 1 1 62 62 PHE CB C 62 38.664 38.664 38.302 0.362 25786 4130 1 10 . 1 1 62 62 PHE H H 62 9.447 9.447 8.502 0.945 25786 4131 1 10 . 1 1 63 63 ARG N N 63 118.560 118.560 118.338 0.222 25786 4132 1 10 . 1 1 63 63 ARG HA H 63 4.258 4.258 4.292 -0.034 25786 4133 1 10 . 1 1 63 63 ARG C C 63 181.328 181.328 179.193 2.135 25786 4134 1 10 . 1 1 63 63 ARG CA C 63 59.257 59.257 58.951 0.306 25786 4135 1 10 . 1 1 63 63 ARG CB C 63 29.697 29.697 29.947 -0.250 25786 4136 1 10 . 1 1 63 63 ARG H H 63 8.665 8.665 8.759 -0.094 25786 4137 1 10 . 1 1 64 64 LYS N N 64 122.759 122.759 119.799 2.960 25786 4138 1 10 . 1 1 64 64 LYS HA H 64 4.019 4.019 4.162 -0.143 25786 4139 1 10 . 1 1 64 64 LYS C C 64 177.595 177.595 177.161 0.434 25786 4140 1 10 . 1 1 64 64 LYS CA C 64 58.651 58.651 58.436 0.215 25786 4141 1 10 . 1 1 64 64 LYS CB C 64 31.510 31.510 32.318 -0.808 25786 4142 1 10 . 1 1 64 64 LYS H H 64 8.690 8.690 7.694 0.996 25786 4143 1 10 . 1 1 65 65 ASN N N 65 115.681 115.681 115.388 0.293 25786 4144 1 10 . 1 1 65 65 ASN HA H 65 4.532 4.532 4.827 -0.295 25786 4145 1 10 . 1 1 65 65 ASN C C 65 173.405 173.405 174.669 -1.264 25786 4146 1 10 . 1 1 65 65 ASN CA C 65 53.685 53.685 51.957 1.728 25786 4147 1 10 . 1 1 65 65 ASN CB C 65 39.038 39.038 38.816 0.222 25786 4148 1 10 . 1 1 65 65 ASN H H 65 7.246 7.246 7.745 -0.499 25786 4149 1 10 . 1 1 66 66 GLY N N 66 105.186 105.186 105.750 -0.564 25786 4150 1 10 . 1 1 66 66 GLY C C 66 173.869 173.869 173.715 0.154 25786 4151 1 10 . 1 1 66 66 GLY CA C 66 45.539 45.539 44.903 0.636 25786 4152 1 10 . 1 1 66 66 GLY H H 66 7.603 7.603 7.767 -0.164 25786 4153 1 10 . 1 1 67 67 TYR N N 67 119.699 119.699 120.657 -0.958 25786 4154 1 10 . 1 1 67 67 TYR HA H 67 4.542 4.542 4.267 0.275 25786 4155 1 10 . 1 1 67 67 TYR C C 67 175.838 175.838 175.611 0.227 25786 4156 1 10 . 1 1 67 67 TYR CA C 67 57.858 57.858 58.493 -0.635 25786 4157 1 10 . 1 1 67 67 TYR CB C 67 38.564 38.564 38.240 0.324 25786 4158 1 10 . 1 1 67 67 TYR H H 67 8.248 8.248 7.995 0.253 25786 4159 1 10 . 1 1 68 68 ARG N N 68 125.588 125.588 126.811 -1.223 25786 4160 1 10 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.480 -0.091 25786 4161 1 10 . 1 1 68 68 ARG C C 68 174.479 174.479 174.551 -0.072 25786 4162 1 10 . 1 1 68 68 ARG CA C 68 55.649 55.649 56.189 -0.540 25786 4163 1 10 . 1 1 68 68 ARG CB C 68 28.357 28.357 28.678 -0.321 25786 4164 1 10 . 1 1 68 68 ARG H H 68 8.550 8.550 8.876 -0.326 25786 4165 1 10 . 1 1 69 69 LEU N N 69 122.034 122.034 118.428 3.606 25786 4166 1 10 . 1 1 69 69 LEU HA H 69 4.711 4.711 4.942 -0.231 25786 4167 1 10 . 1 1 69 69 LEU C C 69 175.630 175.630 174.901 0.729 25786 4168 1 10 . 1 1 69 69 LEU CA C 69 53.367 53.367 53.520 -0.153 25786 4169 1 10 . 1 1 69 69 LEU CB C 69 44.286 44.286 44.873 -0.587 25786 4170 1 10 . 1 1 69 69 LEU H H 69 7.421 7.421 7.844 -0.423 25786 4171 1 10 . 1 1 70 70 THR N N 70 109.789 109.789 112.214 -2.425 25786 4172 1 10 . 1 1 70 70 THR HA H 70 4.721 4.721 4.611 0.110 25786 4173 1 10 . 1 1 70 70 THR C C 70 174.636 174.636 174.930 -0.294 25786 4174 1 10 . 1 1 70 70 THR CA C 70 59.377 59.377 60.234 -0.857 25786 4175 1 10 . 1 1 70 70 THR CB C 70 72.180 72.180 71.544 0.636 25786 4176 1 10 . 1 1 70 70 THR H H 70 8.163 8.163 9.603 -1.440 25786 4177 1 10 . 1 1 71 71 LEU N N 71 122.563 122.563 120.193 2.370 25786 4178 1 10 . 1 1 71 71 LEU HA H 71 3.885 3.885 4.241 -0.356 25786 4179 1 10 . 1 1 71 71 LEU C C 71 178.632 178.632 177.819 0.813 25786 4180 1 10 . 1 1 71 71 LEU CA C 71 58.196 58.196 56.604 1.592 25786 4181 1 10 . 1 1 71 71 LEU CB C 71 41.940 41.940 42.296 -0.356 25786 4182 1 10 . 1 1 71 71 LEU H H 71 8.825 8.825 8.552 0.273 25786 4183 1 10 . 1 1 72 72 ARG N N 72 115.949 115.949 118.098 -2.149 25786 4184 1 10 . 1 1 72 72 ARG HA H 72 3.876 3.876 4.296 -0.420 25786 4185 1 10 . 1 1 72 72 ARG C C 72 178.893 178.893 178.475 0.418 25786 4186 1 10 . 1 1 72 72 ARG CA C 72 59.147 59.147 59.206 -0.059 25786 4187 1 10 . 1 1 72 72 ARG CB C 72 29.631 29.631 30.115 -0.484 25786 4188 1 10 . 1 1 72 72 ARG H H 72 8.244 8.244 7.907 0.337 25786 4189 1 10 . 1 1 73 73 GLU N N 73 117.665 117.665 120.533 -2.868 25786 4190 1 10 . 1 1 73 73 GLU HA H 73 3.951 3.951 4.071 -0.120 25786 4191 1 10 . 1 1 73 73 GLU C C 73 178.762 178.762 178.832 -0.070 25786 4192 1 10 . 1 1 73 73 GLU CA C 73 59.092 59.092 59.507 -0.415 25786 4193 1 10 . 1 1 73 73 GLU CB C 73 29.739 29.739 28.817 0.922 25786 4194 1 10 . 1 1 73 73 GLU H H 73 7.461 7.461 7.972 -0.511 25786 4195 1 10 . 1 1 74 74 LEU N N 74 117.724 117.724 118.999 -1.275 25786 4196 1 10 . 1 1 74 74 LEU HA H 74 3.898 3.898 4.196 -0.298 25786 4197 1 10 . 1 1 74 74 LEU C C 74 179.355 179.355 179.602 -0.247 25786 4198 1 10 . 1 1 74 74 LEU CA C 74 57.469 57.469 57.785 -0.316 25786 4199 1 10 . 1 1 74 74 LEU CB C 74 41.619 41.619 41.314 0.305 25786 4200 1 10 . 1 1 74 74 LEU H H 74 7.413 7.413 7.681 -0.268 25786 4201 1 10 . 1 1 75 75 TYR N N 75 114.976 114.976 118.178 -3.202 25786 4202 1 10 . 1 1 75 75 TYR HA H 75 4.054 4.054 4.439 -0.385 25786 4203 1 10 . 1 1 75 75 TYR C C 75 176.656 176.656 177.016 -0.360 25786 4204 1 10 . 1 1 75 75 TYR CA C 75 60.638 60.638 60.281 0.357 25786 4205 1 10 . 1 1 75 75 TYR CB C 75 39.688 39.688 37.667 2.021 25786 4206 1 10 . 1 1 75 75 TYR H H 75 8.086 8.086 7.537 0.549 25786 4207 1 10 . 1 1 76 76 ALA N N 76 119.116 119.116 121.006 -1.890 25786 4208 1 10 . 1 1 76 76 ALA HA H 76 4.052 4.052 4.351 -0.299 25786 4209 1 10 . 1 1 76 76 ALA C C 76 178.156 178.156 177.269 0.887 25786 4210 1 10 . 1 1 76 76 ALA CA C 76 54.468 54.468 53.312 1.156 25786 4211 1 10 . 1 1 76 76 ALA CB C 76 18.535 18.535 19.619 -1.085 25786 4212 1 10 . 1 1 76 76 ALA H H 76 7.776 7.776 7.727 0.049 25786 4213 1 10 . 1 1 77 77 ALA N N 77 116.862 116.862 120.734 -3.872 25786 4214 1 10 . 1 1 77 77 ALA C C 77 173.737 173.737 174.637 -0.900 25786 4215 1 10 . 1 1 77 77 ALA CA C 77 49.713 49.713 49.638 0.075 25786 4216 1 10 . 1 1 77 77 ALA CB C 77 19.226 19.226 19.588 -0.362 25786 4217 1 10 . 1 1 77 77 ALA H H 77 6.706 6.706 7.929 -1.223 25786 4218 1 10 . 1 1 78 78 PRO HA H 78 5.018 5.018 5.025 -0.007 25786 4219 1 10 . 1 1 78 78 PRO CA C 78 61.523 61.523 62.569 -1.046 25786 4220 1 10 . 1 1 78 78 PRO CB C 78 28.845 28.845 30.474 -1.629 25786 4221 1 10 . 1 1 79 79 THR N N 79 111.947 111.947 113.409 -1.462 25786 4222 1 10 . 1 1 79 79 THR HA H 79 4.396 4.396 4.940 -0.544 25786 4223 1 10 . 1 1 79 79 THR C C 79 173.000 173.000 174.476 -1.476 25786 4224 1 10 . 1 1 79 79 THR CA C 79 58.059 58.059 59.590 -1.531 25786 4225 1 10 . 1 1 79 79 THR CB C 79 72.247 72.247 72.551 -0.304 25786 4226 1 10 . 1 1 79 79 THR H H 79 7.664 7.664 7.422 0.242 25786 4227 1 10 . 1 1 80 80 LEU N N 80 123.227 123.227 123.301 -0.074 25786 4228 1 10 . 1 1 80 80 LEU HA H 80 3.747 3.747 4.080 -0.333 25786 4229 1 10 . 1 1 80 80 LEU C C 80 179.028 179.028 177.913 1.115 25786 4230 1 10 . 1 1 80 80 LEU CA C 80 58.209 58.209 56.438 1.771 25786 4231 1 10 . 1 1 80 80 LEU CB C 80 41.579 41.579 41.215 0.363 25786 4232 1 10 . 1 1 80 80 LEU H H 80 9.609 9.609 8.403 1.206 25786 4233 1 10 . 1 1 81 81 ALA N N 81 119.663 119.663 122.520 -2.857 25786 4234 1 10 . 1 1 81 81 ALA HA H 81 4.141 4.141 3.853 0.288 25786 4235 1 10 . 1 1 81 81 ALA C C 81 181.038 181.038 178.859 2.179 25786 4236 1 10 . 1 1 81 81 ALA CA C 81 54.876 54.876 55.453 -0.577 25786 4237 1 10 . 1 1 81 81 ALA CB C 81 18.428 18.428 18.061 0.367 25786 4238 1 10 . 1 1 81 81 ALA H H 81 8.831 8.831 8.537 0.294 25786 4239 1 10 . 1 1 82 82 ALA N N 82 122.181 122.181 120.896 1.285 25786 4240 1 10 . 1 1 82 82 ALA HA H 82 4.225 4.225 4.171 0.054 25786 4241 1 10 . 1 1 82 82 ALA C C 82 181.868 181.868 179.731 2.137 25786 4242 1 10 . 1 1 82 82 ALA CA C 82 54.808 54.808 54.822 -0.014 25786 4243 1 10 . 1 1 82 82 ALA CB C 82 19.088 19.088 18.361 0.727 25786 4244 1 10 . 1 1 82 82 ALA H H 82 8.272 8.272 7.553 0.719 25786 4245 1 10 . 1 1 83 83 TRP N N 83 123.399 123.399 119.503 3.896 25786 4246 1 10 . 1 1 83 83 TRP HA H 83 4.543 4.543 4.240 0.303 25786 4247 1 10 . 1 1 83 83 TRP C C 83 178.633 178.633 178.681 -0.048 25786 4248 1 10 . 1 1 83 83 TRP CA C 83 59.562 59.562 58.543 1.019 25786 4249 1 10 . 1 1 83 83 TRP CB C 83 28.301 28.301 28.369 -0.068 25786 4250 1 10 . 1 1 83 83 TRP H H 83 9.378 9.378 7.856 1.522 25786 4251 1 10 . 1 1 84 84 ASN N N 84 118.250 118.250 117.353 0.897 25786 4252 1 10 . 1 1 84 84 ASN HA H 84 4.616 4.616 4.338 0.278 25786 4253 1 10 . 1 1 84 84 ASN C C 84 177.231 177.231 177.759 -0.528 25786 4254 1 10 . 1 1 84 84 ASN CA C 84 57.096 57.096 56.289 0.807 25786 4255 1 10 . 1 1 84 84 ASN CB C 84 39.229 39.229 37.853 1.376 25786 4256 1 10 . 1 1 84 84 ASN H H 84 9.136 9.136 8.627 0.509 25786 4257 1 10 . 1 1 85 85 GLN N N 85 116.261 116.261 118.932 -2.671 25786 4258 1 10 . 1 1 85 85 GLN HA H 85 4.011 4.011 4.079 -0.068 25786 4259 1 10 . 1 1 85 85 GLN C C 85 179.455 179.455 178.742 0.713 25786 4260 1 10 . 1 1 85 85 GLN CA C 85 58.748 58.748 58.525 0.223 25786 4261 1 10 . 1 1 85 85 GLN CB C 85 27.840 27.840 28.410 -0.570 25786 4262 1 10 . 1 1 85 85 GLN H H 85 7.511 7.511 7.873 -0.362 25786 4263 1 10 . 1 1 86 86 LEU N N 86 121.554 121.554 119.118 2.436 25786 4264 1 10 . 1 1 86 86 LEU HA H 86 4.041 4.041 3.950 0.091 25786 4265 1 10 . 1 1 86 86 LEU C C 86 179.171 179.171 178.079 1.092 25786 4266 1 10 . 1 1 86 86 LEU CA C 86 57.804 57.804 57.531 0.273 25786 4267 1 10 . 1 1 86 86 LEU CB C 86 41.915 41.915 41.374 0.541 25786 4268 1 10 . 1 1 86 86 LEU H H 86 8.172 8.172 8.351 -0.179 25786 4269 1 10 . 1 1 87 87 MET N N 87 117.874 117.874 115.486 2.388 25786 4270 1 10 . 1 1 87 87 MET HA H 87 3.752 3.752 4.477 -0.725 25786 4271 1 10 . 1 1 87 87 MET C C 87 178.221 178.221 178.919 -0.698 25786 4272 1 10 . 1 1 87 87 MET CA C 87 59.481 59.481 58.655 0.826 25786 4273 1 10 . 1 1 87 87 MET CB C 87 34.875 34.875 33.417 1.458 25786 4274 1 10 . 1 1 87 87 MET H H 87 8.197 8.197 7.504 0.693 25786 4275 1 10 . 1 1 88 88 LEU N N 88 117.598 117.598 122.028 -4.430 25786 4276 1 10 . 1 1 88 88 LEU HA H 88 4.054 4.054 4.322 -0.268 25786 4277 1 10 . 1 1 88 88 LEU C C 88 179.237 179.237 178.705 0.532 25786 4278 1 10 . 1 1 88 88 LEU CA C 88 57.076 57.076 57.440 -0.364 25786 4279 1 10 . 1 1 88 88 LEU CB C 88 42.395 42.395 41.935 0.460 25786 4280 1 10 . 1 1 88 88 LEU H H 88 7.902 7.902 8.290 -0.388 25786 4281 1 10 . 1 1 89 89 SER N N 89 113.195 113.195 112.777 0.418 25786 4282 1 10 . 1 1 89 89 SER HA H 89 4.038 4.038 4.350 -0.312 25786 4283 1 10 . 1 1 89 89 SER C C 89 175.090 175.090 174.880 0.210 25786 4284 1 10 . 1 1 89 89 SER CA C 89 59.901 59.901 60.332 -0.431 25786 4285 1 10 . 1 1 89 89 SER CB C 89 63.834 63.834 62.992 0.842 25786 4286 1 10 . 1 1 89 89 SER H H 89 7.958 7.958 8.198 -0.240 25786 4287 1 10 . 1 1 90 90 ARG N N 90 122.031 122.031 118.174 3.857 25786 4288 1 10 . 1 1 90 90 ARG HA H 90 4.701 4.701 4.456 0.245 25786 4289 1 10 . 1 1 90 90 ARG C C 90 175.695 175.695 175.719 -0.024 25786 4290 1 10 . 1 1 90 90 ARG CA C 90 53.905 53.905 54.337 -0.433 25786 4291 1 10 . 1 1 90 90 ARG CB C 90 29.631 29.631 30.522 -0.891 25786 4292 1 10 . 1 1 90 90 ARG H H 90 7.923 7.923 7.619 0.304 25786 4293 1 10 . 1 1 91 91 SER N N 91 117.191 117.191 117.348 -0.157 25786 4294 1 10 . 1 1 91 91 SER C C 91 172.914 172.914 172.618 0.296 25786 4295 1 10 . 1 1 91 91 SER CA C 91 57.104 57.104 56.344 0.760 25786 4296 1 10 . 1 1 91 91 SER CB C 91 63.437 63.437 63.429 0.008 25786 4297 1 10 . 1 1 91 91 SER H H 91 7.752 7.752 7.905 -0.153 25786 4298 1 10 . 1 1 92 92 PRO HA H 92 4.420 4.420 4.589 -0.169 25786 4299 1 10 . 1 1 92 92 PRO CA C 92 63.414 63.414 62.386 1.028 25786 4300 1 10 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.214 -0.319 25786 4301 1 11 . 1 1 15 15 ASN N N 15 119.857 119.857 121.908 -2.051 25786 4302 1 11 . 1 1 15 15 ASN HA H 15 4.719 4.719 4.888 -0.169 25786 4303 1 11 . 1 1 15 15 ASN C C 15 175.735 175.735 174.771 0.964 25786 4304 1 11 . 1 1 15 15 ASN CA C 15 53.556 53.556 53.252 0.304 25786 4305 1 11 . 1 1 15 15 ASN CB C 15 38.731 38.731 37.944 0.787 25786 4306 1 11 . 1 1 15 15 ASN H H 15 8.425 8.425 8.786 -0.361 25786 4307 1 11 . 1 1 16 16 ARG N N 16 122.030 122.030 124.232 -2.202 25786 4308 1 11 . 1 1 16 16 ARG HA H 16 4.211 4.211 4.364 -0.153 25786 4309 1 11 . 1 1 16 16 ARG C C 16 176.669 176.669 177.839 -1.170 25786 4310 1 11 . 1 1 16 16 ARG CA C 16 57.735 57.735 57.036 0.699 25786 4311 1 11 . 1 1 16 16 ARG CB C 16 30.224 30.224 31.002 -0.778 25786 4312 1 11 . 1 1 16 16 ARG H H 16 8.347 8.347 7.927 0.420 25786 4313 1 11 . 1 1 17 17 HIS N N 17 118.590 118.590 118.880 -0.290 25786 4314 1 11 . 1 1 17 17 HIS HA H 17 4.563 4.563 4.649 -0.086 25786 4315 1 11 . 1 1 17 17 HIS C C 17 176.284 176.284 176.875 -0.591 25786 4316 1 11 . 1 1 17 17 HIS CA C 17 58.394 58.394 58.871 -0.477 25786 4317 1 11 . 1 1 17 17 HIS CB C 17 30.362 30.362 30.310 0.052 25786 4318 1 11 . 1 1 17 17 HIS H H 17 8.395 8.395 8.679 -0.284 25786 4319 1 11 . 1 1 18 18 ALA N N 18 122.047 122.047 121.990 0.057 25786 4320 1 11 . 1 1 18 18 ALA HA H 18 4.182 4.182 4.136 0.046 25786 4321 1 11 . 1 1 18 18 ALA C C 18 180.003 180.003 178.133 1.870 25786 4322 1 11 . 1 1 18 18 ALA CA C 18 54.294 54.294 54.315 -0.021 25786 4323 1 11 . 1 1 18 18 ALA CB C 18 18.849 18.849 18.010 0.839 25786 4324 1 11 . 1 1 18 18 ALA H H 18 8.436 8.436 8.809 -0.373 25786 4325 1 11 . 1 1 19 19 ALA N N 19 122.607 122.607 120.554 2.053 25786 4326 1 11 . 1 1 19 19 ALA HA H 19 4.275 4.275 4.149 0.126 25786 4327 1 11 . 1 1 19 19 ALA C C 19 180.295 180.295 178.888 1.407 25786 4328 1 11 . 1 1 19 19 ALA CA C 19 55.040 55.040 54.594 0.446 25786 4329 1 11 . 1 1 19 19 ALA CB C 19 18.267 18.267 18.459 -0.192 25786 4330 1 11 . 1 1 19 19 ALA H H 19 8.402 8.402 7.705 0.697 25786 4331 1 11 . 1 1 20 20 ASP N N 20 118.796 118.796 118.089 0.707 25786 4332 1 11 . 1 1 20 20 ASP HA H 20 4.837 4.837 4.581 0.256 25786 4333 1 11 . 1 1 20 20 ASP C C 20 177.313 177.313 178.121 -0.808 25786 4334 1 11 . 1 1 20 20 ASP CA C 20 56.725 56.725 56.629 0.096 25786 4335 1 11 . 1 1 20 20 ASP CB C 20 40.189 40.189 40.649 -0.460 25786 4336 1 11 . 1 1 20 20 ASP H H 20 8.317 8.317 8.370 -0.053 25786 4337 1 11 . 1 1 21 21 TYR N N 21 120.958 120.958 122.383 -1.425 25786 4338 1 11 . 1 1 21 21 TYR HA H 21 4.058 4.058 4.477 -0.419 25786 4339 1 11 . 1 1 21 21 TYR C C 21 176.282 176.282 177.247 -0.965 25786 4340 1 11 . 1 1 21 21 TYR CA C 21 61.892 61.892 61.875 0.017 25786 4341 1 11 . 1 1 21 21 TYR CB C 21 38.655 38.655 38.576 0.079 25786 4342 1 11 . 1 1 21 21 TYR H H 21 8.679 8.679 7.671 1.008 25786 4343 1 11 . 1 1 22 22 GLN N N 22 117.715 117.715 117.915 -0.200 25786 4344 1 11 . 1 1 22 22 GLN HA H 22 3.826 3.826 3.904 -0.078 25786 4345 1 11 . 1 1 22 22 GLN C C 22 178.197 178.197 177.924 0.273 25786 4346 1 11 . 1 1 22 22 GLN CA C 22 59.110 59.110 59.079 0.031 25786 4347 1 11 . 1 1 22 22 GLN CB C 22 27.430 27.430 27.871 -0.441 25786 4348 1 11 . 1 1 22 22 GLN H H 22 8.236 8.236 8.534 -0.297 25786 4349 1 11 . 1 1 23 23 GLN N N 23 118.526 118.526 118.893 -0.367 25786 4350 1 11 . 1 1 23 23 GLN HA H 23 4.100 4.100 4.047 0.053 25786 4351 1 11 . 1 1 23 23 GLN C C 23 177.521 177.521 178.262 -0.741 25786 4352 1 11 . 1 1 23 23 GLN CA C 23 58.915 58.915 58.396 0.519 25786 4353 1 11 . 1 1 23 23 GLN CB C 23 29.032 29.032 27.888 1.144 25786 4354 1 11 . 1 1 23 23 GLN H H 23 8.003 8.003 8.156 -0.153 25786 4355 1 11 . 1 1 24 24 LEU N N 24 121.914 121.914 121.232 0.682 25786 4356 1 11 . 1 1 24 24 LEU HA H 24 3.444 3.444 3.228 0.216 25786 4357 1 11 . 1 1 24 24 LEU C C 24 176.882 176.882 178.003 -1.121 25786 4358 1 11 . 1 1 24 24 LEU CA C 24 58.115 58.115 57.289 0.826 25786 4359 1 11 . 1 1 24 24 LEU CB C 24 41.704 41.704 41.033 0.671 25786 4360 1 11 . 1 1 24 24 LEU H H 24 8.031 8.031 7.104 0.927 25786 4361 1 11 . 1 1 25 25 ARG N N 25 116.645 116.645 118.900 -2.255 25786 4362 1 11 . 1 1 25 25 ARG HA H 25 3.395 3.395 3.557 -0.162 25786 4363 1 11 . 1 1 25 25 ARG C C 25 177.469 177.469 178.570 -1.101 25786 4364 1 11 . 1 1 25 25 ARG CA C 25 60.246 60.246 60.027 0.219 25786 4365 1 11 . 1 1 25 25 ARG CB C 25 29.925 29.925 30.124 -0.199 25786 4366 1 11 . 1 1 25 25 ARG H H 25 7.981 7.981 7.896 0.085 25786 4367 1 11 . 1 1 26 26 GLU N N 26 115.943 115.943 118.703 -2.760 25786 4368 1 11 . 1 1 26 26 GLU HA H 26 3.832 3.832 3.956 -0.124 25786 4369 1 11 . 1 1 26 26 GLU C C 26 179.682 179.682 179.355 0.327 25786 4370 1 11 . 1 1 26 26 GLU CA C 26 59.517 59.517 59.465 0.052 25786 4371 1 11 . 1 1 26 26 GLU CB C 26 29.439 29.439 29.387 0.052 25786 4372 1 11 . 1 1 26 26 GLU H H 26 8.160 8.160 8.354 -0.194 25786 4373 1 11 . 1 1 27 27 ARG N N 27 118.766 118.766 119.734 -0.968 25786 4374 1 11 . 1 1 27 27 ARG HA H 27 4.144 4.144 4.123 0.021 25786 4375 1 11 . 1 1 27 27 ARG C C 27 179.241 179.241 178.914 0.327 25786 4376 1 11 . 1 1 27 27 ARG CA C 27 58.855 58.855 58.281 0.574 25786 4377 1 11 . 1 1 27 27 ARG CB C 27 29.996 29.996 29.612 0.384 25786 4378 1 11 . 1 1 27 27 ARG H H 27 8.283 8.283 7.945 0.338 25786 4379 1 11 . 1 1 28 28 LEU N N 28 122.077 122.077 120.949 1.128 25786 4380 1 11 . 1 1 28 28 LEU HA H 28 4.106 4.106 3.999 0.107 25786 4381 1 11 . 1 1 28 28 LEU C C 28 178.766 178.766 178.697 0.069 25786 4382 1 11 . 1 1 28 28 LEU CA C 28 58.558 58.558 58.131 0.427 25786 4383 1 11 . 1 1 28 28 LEU CB C 28 42.514 42.514 41.501 1.013 25786 4384 1 11 . 1 1 28 28 LEU H H 28 8.389 8.389 8.359 0.030 25786 4385 1 11 . 1 1 29 29 ILE N N 29 117.586 117.586 119.427 -1.841 25786 4386 1 11 . 1 1 29 29 ILE HA H 29 3.339 3.339 3.512 -0.173 25786 4387 1 11 . 1 1 29 29 ILE C C 29 177.927 177.927 178.093 -0.166 25786 4388 1 11 . 1 1 29 29 ILE CA C 29 66.203 66.203 65.815 0.388 25786 4389 1 11 . 1 1 29 29 ILE CB C 29 37.823 37.823 37.575 0.248 25786 4390 1 11 . 1 1 29 29 ILE H H 29 7.914 7.914 7.391 0.523 25786 4391 1 11 . 1 1 30 30 GLN N N 30 116.395 116.395 118.294 -1.899 25786 4392 1 11 . 1 1 30 30 GLN HA H 30 4.157 4.157 3.986 0.171 25786 4393 1 11 . 1 1 30 30 GLN C C 30 179.400 179.400 179.215 0.185 25786 4394 1 11 . 1 1 30 30 GLN CA C 30 58.410 58.410 59.003 -0.593 25786 4395 1 11 . 1 1 30 30 GLN CB C 30 28.804 28.804 28.666 0.138 25786 4396 1 11 . 1 1 30 30 GLN H H 30 7.287 7.287 7.976 -0.689 25786 4397 1 11 . 1 1 31 31 GLU N N 31 120.336 120.336 121.332 -0.996 25786 4398 1 11 . 1 1 31 31 GLU HA H 31 4.023 4.023 4.112 -0.089 25786 4399 1 11 . 1 1 31 31 GLU C C 31 178.395 178.395 178.295 0.100 25786 4400 1 11 . 1 1 31 31 GLU CA C 31 59.377 59.377 59.010 0.367 25786 4401 1 11 . 1 1 31 31 GLU CB C 31 30.436 30.436 29.834 0.602 25786 4402 1 11 . 1 1 31 31 GLU H H 31 8.814 8.814 8.314 0.500 25786 4403 1 11 . 1 1 32 32 LEU N N 32 115.139 115.139 116.811 -1.672 25786 4404 1 11 . 1 1 32 32 LEU HA H 32 4.377 4.377 4.317 0.060 25786 4405 1 11 . 1 1 32 32 LEU C C 32 176.033 176.033 176.285 -0.252 25786 4406 1 11 . 1 1 32 32 LEU CA C 32 54.101 54.101 54.767 -0.666 25786 4407 1 11 . 1 1 32 32 LEU CB C 32 41.354 41.354 42.045 -0.692 25786 4408 1 11 . 1 1 32 32 LEU H H 32 8.109 8.109 8.062 0.047 25786 4409 1 11 . 1 1 33 33 ASN N N 33 116.751 116.751 115.731 1.020 25786 4410 1 11 . 1 1 33 33 ASN HA H 33 4.453 4.453 4.411 0.042 25786 4411 1 11 . 1 1 33 33 ASN C C 33 174.288 174.288 174.546 -0.258 25786 4412 1 11 . 1 1 33 33 ASN CA C 33 54.024 54.024 54.187 -0.163 25786 4413 1 11 . 1 1 33 33 ASN CB C 33 36.929 36.929 37.377 -0.448 25786 4414 1 11 . 1 1 33 33 ASN H H 33 7.796 7.796 7.696 0.100 25786 4415 1 11 . 1 1 34 34 LEU N N 34 117.139 117.139 117.187 -0.048 25786 4416 1 11 . 1 1 34 34 LEU HA H 34 4.787 4.787 4.732 0.055 25786 4417 1 11 . 1 1 34 34 LEU C C 34 176.521 176.521 175.548 0.973 25786 4418 1 11 . 1 1 34 34 LEU CA C 34 53.079 53.079 53.494 -0.415 25786 4419 1 11 . 1 1 34 34 LEU CB C 34 44.673 44.673 45.379 -0.706 25786 4420 1 11 . 1 1 34 34 LEU H H 34 7.728 7.728 8.492 -0.764 25786 4421 1 11 . 1 1 35 35 THR N N 35 110.751 110.751 107.601 3.150 25786 4422 1 11 . 1 1 35 35 THR HA H 35 4.803 4.803 4.876 -0.073 25786 4423 1 11 . 1 1 35 35 THR C C 35 174.438 174.438 173.275 1.163 25786 4424 1 11 . 1 1 35 35 THR CA C 35 59.445 59.445 58.344 1.101 25786 4425 1 11 . 1 1 35 35 THR CB C 35 68.651 68.651 70.126 -1.475 25786 4426 1 11 . 1 1 35 35 THR H H 35 8.001 8.001 7.969 0.032 25786 4427 1 11 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.739 -0.662 25786 4428 1 11 . 1 1 36 36 PRO CA C 36 65.645 65.645 64.609 1.036 25786 4429 1 11 . 1 1 36 36 PRO CB C 36 31.632 31.632 31.701 -0.069 25786 4430 1 11 . 1 1 37 37 GLN N N 37 112.874 112.874 115.684 -2.810 25786 4431 1 11 . 1 1 37 37 GLN HA H 37 4.105 4.105 4.192 -0.087 25786 4432 1 11 . 1 1 37 37 GLN C C 37 176.960 176.960 177.479 -0.519 25786 4433 1 11 . 1 1 37 37 GLN CA C 37 57.891 57.891 57.380 0.511 25786 4434 1 11 . 1 1 37 37 GLN CB C 37 27.902 27.902 28.784 -0.882 25786 4435 1 11 . 1 1 37 37 GLN H H 37 8.005 8.005 7.659 0.346 25786 4436 1 11 . 1 1 38 38 GLN N N 38 116.477 116.477 118.085 -1.608 25786 4437 1 11 . 1 1 38 38 GLN HA H 38 4.187 4.187 4.349 -0.162 25786 4438 1 11 . 1 1 38 38 GLN C C 38 175.508 175.508 176.214 -0.706 25786 4439 1 11 . 1 1 38 38 GLN CA C 38 56.398 56.398 57.129 -0.731 25786 4440 1 11 . 1 1 38 38 GLN CB C 38 31.126 31.126 30.449 0.677 25786 4441 1 11 . 1 1 38 38 GLN H H 38 7.663 7.663 7.504 0.159 25786 4442 1 11 . 1 1 39 39 LEU N N 39 120.726 120.726 121.444 -0.718 25786 4443 1 11 . 1 1 39 39 LEU HA H 39 4.371 4.371 4.711 -0.340 25786 4444 1 11 . 1 1 39 39 LEU C C 39 174.277 174.277 174.416 -0.139 25786 4445 1 11 . 1 1 39 39 LEU CA C 39 53.959 53.959 53.600 0.359 25786 4446 1 11 . 1 1 39 39 LEU CB C 39 41.610 41.610 42.648 -1.038 25786 4447 1 11 . 1 1 39 39 LEU H H 39 7.286 7.286 8.426 -1.140 25786 4448 1 11 . 1 1 40 40 HIS N N 40 124.680 124.680 123.483 1.197 25786 4449 1 11 . 1 1 40 40 HIS HA H 40 4.808 4.808 4.959 -0.151 25786 4450 1 11 . 1 1 40 40 HIS C C 40 176.727 176.727 176.254 0.473 25786 4451 1 11 . 1 1 40 40 HIS CA C 40 54.762 54.762 54.634 0.128 25786 4452 1 11 . 1 1 40 40 HIS CB C 40 31.521 31.521 32.143 -0.622 25786 4453 1 11 . 1 1 40 40 HIS H H 40 8.158 8.158 8.503 -0.345 25786 4454 1 11 . 1 1 41 41 GLU HA H 41 4.029 4.029 3.796 0.233 25786 4455 1 11 . 1 1 42 42 GLU N N 42 113.813 113.813 117.066 -3.253 25786 4456 1 11 . 1 1 42 42 GLU HA H 42 4.547 4.547 4.226 0.321 25786 4457 1 11 . 1 1 42 42 GLU C C 42 176.680 176.680 176.056 0.624 25786 4458 1 11 . 1 1 42 42 GLU CA C 42 55.313 55.313 54.354 0.959 25786 4459 1 11 . 1 1 42 42 GLU CB C 42 29.165 29.165 28.910 0.255 25786 4460 1 11 . 1 1 42 42 GLU H H 42 8.808 8.808 6.924 1.884 25786 4461 1 11 . 1 1 43 43 SER N N 43 118.066 118.066 117.514 0.552 25786 4462 1 11 . 1 1 43 43 SER HA H 43 4.088 4.088 4.344 -0.256 25786 4463 1 11 . 1 1 43 43 SER C C 43 173.663 173.663 173.846 -0.183 25786 4464 1 11 . 1 1 43 43 SER CA C 43 60.156 60.156 58.932 1.224 25786 4465 1 11 . 1 1 43 43 SER CB C 43 62.827 62.827 63.213 -0.386 25786 4466 1 11 . 1 1 43 43 SER H H 43 7.485 7.485 7.736 -0.251 25786 4467 1 11 . 1 1 44 44 ASN N N 44 123.218 123.218 125.072 -1.854 25786 4468 1 11 . 1 1 44 44 ASN HA H 44 4.392 4.392 4.574 -0.182 25786 4469 1 11 . 1 1 44 44 ASN C C 44 176.926 176.926 176.216 0.710 25786 4470 1 11 . 1 1 44 44 ASN CA C 44 53.987 53.987 54.133 -0.146 25786 4471 1 11 . 1 1 44 44 ASN CB C 44 38.433 38.433 38.900 -0.467 25786 4472 1 11 . 1 1 44 44 ASN H H 44 8.811 8.811 8.496 0.315 25786 4473 1 11 . 1 1 45 45 LEU N N 45 128.735 128.735 125.639 3.096 25786 4474 1 11 . 1 1 45 45 LEU HA H 45 3.722 3.722 4.040 -0.318 25786 4475 1 11 . 1 1 45 45 LEU C C 45 178.143 178.143 178.558 -0.415 25786 4476 1 11 . 1 1 45 45 LEU CA C 45 57.149 57.149 57.545 -0.396 25786 4477 1 11 . 1 1 45 45 LEU CB C 45 42.250 42.250 41.877 0.373 25786 4478 1 11 . 1 1 45 45 LEU H H 45 9.385 9.385 8.678 0.707 25786 4479 1 11 . 1 1 46 46 ILE N N 46 119.379 119.379 120.089 -0.710 25786 4480 1 11 . 1 1 46 46 ILE HA H 46 4.187 4.187 4.289 -0.102 25786 4481 1 11 . 1 1 46 46 ILE C C 46 180.926 180.926 179.334 1.592 25786 4482 1 11 . 1 1 46 46 ILE CA C 46 63.814 63.814 64.303 -0.489 25786 4483 1 11 . 1 1 46 46 ILE CB C 46 36.709 36.709 37.863 -1.154 25786 4484 1 11 . 1 1 46 46 ILE H H 46 7.659 7.659 7.656 0.003 25786 4485 1 11 . 1 1 47 47 GLN N N 47 121.737 121.737 118.427 3.310 25786 4486 1 11 . 1 1 47 47 GLN HA H 47 3.989 3.989 4.193 -0.204 25786 4487 1 11 . 1 1 47 47 GLN C C 47 177.739 177.739 176.704 1.035 25786 4488 1 11 . 1 1 47 47 GLN CA C 47 58.033 58.033 57.883 0.150 25786 4489 1 11 . 1 1 47 47 GLN CB C 47 27.985 27.985 28.208 -0.223 25786 4490 1 11 . 1 1 47 47 GLN H H 47 8.161 8.161 8.679 -0.518 25786 4491 1 11 . 1 1 48 48 ALA N N 48 117.777 117.777 120.696 -2.919 25786 4492 1 11 . 1 1 48 48 ALA HA H 48 4.260 4.260 4.504 -0.244 25786 4493 1 11 . 1 1 48 48 ALA C C 48 176.582 176.582 177.593 -1.011 25786 4494 1 11 . 1 1 48 48 ALA CA C 48 52.710 52.710 52.405 0.305 25786 4495 1 11 . 1 1 48 48 ALA CB C 48 18.601 18.601 20.415 -1.814 25786 4496 1 11 . 1 1 48 48 ALA H H 48 7.448 7.448 7.182 0.266 25786 4497 1 11 . 1 1 49 49 GLY N N 49 102.932 102.932 105.941 -3.009 25786 4498 1 11 . 1 1 49 49 GLY C C 49 174.451 174.451 172.207 2.244 25786 4499 1 11 . 1 1 49 49 GLY CA C 49 44.967 44.967 45.448 -0.481 25786 4500 1 11 . 1 1 49 49 GLY H H 49 7.445 7.445 8.301 -0.856 25786 4501 1 11 . 1 1 50 50 LEU N N 50 123.058 123.058 121.933 1.125 25786 4502 1 11 . 1 1 50 50 LEU HA H 50 4.257 4.257 4.922 -0.665 25786 4503 1 11 . 1 1 50 50 LEU C C 50 173.460 173.460 174.799 -1.339 25786 4504 1 11 . 1 1 50 50 LEU CA C 50 55.909 55.909 53.851 2.058 25786 4505 1 11 . 1 1 50 50 LEU CB C 50 41.454 41.454 45.653 -4.199 25786 4506 1 11 . 1 1 50 50 LEU H H 50 8.545 8.545 7.485 1.060 25786 4507 1 11 . 1 1 54 54 ARG N N 54 121.407 121.407 121.969 -0.562 25786 4508 1 11 . 1 1 54 54 ARG HA H 54 4.088 4.088 3.944 0.144 25786 4509 1 11 . 1 1 54 54 ARG C C 54 179.647 179.647 178.542 1.105 25786 4510 1 11 . 1 1 54 54 ARG CA C 54 59.615 59.615 59.097 0.518 25786 4511 1 11 . 1 1 54 54 ARG CB C 54 30.633 30.633 30.764 -0.131 25786 4512 1 11 . 1 1 54 54 ARG H H 54 8.412 8.412 8.981 -0.569 25786 4513 1 11 . 1 1 55 55 LEU N N 55 121.118 121.118 122.104 -0.986 25786 4514 1 11 . 1 1 55 55 LEU HA H 55 4.332 4.332 4.439 -0.107 25786 4515 1 11 . 1 1 55 55 LEU C C 55 178.416 178.416 178.304 0.112 25786 4516 1 11 . 1 1 55 55 LEU CA C 55 59.035 59.035 58.414 0.621 25786 4517 1 11 . 1 1 55 55 LEU CB C 55 41.718 41.718 41.414 0.303 25786 4518 1 11 . 1 1 55 55 LEU H H 55 9.050 9.050 8.327 0.723 25786 4519 1 11 . 1 1 56 56 MET N N 56 117.969 117.969 116.885 1.084 25786 4520 1 11 . 1 1 56 56 MET HA H 56 4.284 4.284 4.039 0.245 25786 4521 1 11 . 1 1 56 56 MET C C 56 178.301 178.301 178.466 -0.165 25786 4522 1 11 . 1 1 56 56 MET CA C 56 57.927 57.927 57.752 0.175 25786 4523 1 11 . 1 1 56 56 MET CB C 56 31.317 31.317 31.629 -0.312 25786 4524 1 11 . 1 1 56 56 MET H H 56 7.875 7.875 8.218 -0.343 25786 4525 1 11 . 1 1 57 57 ARG N N 57 119.532 119.532 118.965 0.567 25786 4526 1 11 . 1 1 57 57 ARG HA H 57 4.096 4.096 3.997 0.099 25786 4527 1 11 . 1 1 57 57 ARG C C 57 180.458 180.458 179.395 1.063 25786 4528 1 11 . 1 1 57 57 ARG CA C 57 59.770 59.770 59.276 0.494 25786 4529 1 11 . 1 1 57 57 ARG CB C 57 29.520 29.520 29.571 -0.051 25786 4530 1 11 . 1 1 57 57 ARG H H 57 7.609 7.609 7.992 -0.383 25786 4531 1 11 . 1 1 58 58 TRP N N 58 121.820 121.820 119.284 2.536 25786 4532 1 11 . 1 1 58 58 TRP HA H 58 4.465 4.465 4.263 0.202 25786 4533 1 11 . 1 1 58 58 TRP C C 58 177.973 177.973 177.650 0.323 25786 4534 1 11 . 1 1 58 58 TRP CA C 58 61.063 61.063 58.989 2.074 25786 4535 1 11 . 1 1 58 58 TRP CB C 58 28.348 28.348 29.276 -0.928 25786 4536 1 11 . 1 1 58 58 TRP H H 58 8.207 8.207 7.628 0.579 25786 4537 1 11 . 1 1 59 59 LEU N N 59 121.654 121.654 120.229 1.425 25786 4538 1 11 . 1 1 59 59 LEU HA H 59 4.274 4.274 4.385 -0.111 25786 4539 1 11 . 1 1 59 59 LEU C C 59 178.823 178.823 178.148 0.675 25786 4540 1 11 . 1 1 59 59 LEU CA C 59 59.044 59.044 56.729 2.315 25786 4541 1 11 . 1 1 59 59 LEU CB C 59 40.851 40.851 41.490 -0.639 25786 4542 1 11 . 1 1 59 59 LEU H H 59 8.599 8.599 7.911 0.688 25786 4543 1 11 . 1 1 60 60 HIS N N 60 116.952 116.952 117.695 -0.743 25786 4544 1 11 . 1 1 60 60 HIS HA H 60 4.389 4.389 4.400 -0.011 25786 4545 1 11 . 1 1 60 60 HIS C C 60 177.635 177.635 177.115 0.520 25786 4546 1 11 . 1 1 60 60 HIS CA C 60 59.755 59.755 58.687 1.068 25786 4547 1 11 . 1 1 60 60 HIS CB C 60 30.083 30.083 29.669 0.414 25786 4548 1 11 . 1 1 60 60 HIS H H 60 7.909 7.909 7.801 0.108 25786 4549 1 11 . 1 1 61 61 TRP N N 61 123.194 123.194 122.207 0.987 25786 4550 1 11 . 1 1 61 61 TRP HA H 61 4.032 4.032 4.360 -0.328 25786 4551 1 11 . 1 1 61 61 TRP C C 61 179.298 179.298 177.357 1.941 25786 4552 1 11 . 1 1 61 61 TRP CA C 61 62.541 62.541 60.685 1.856 25786 4553 1 11 . 1 1 61 61 TRP CB C 61 28.839 28.839 29.604 -0.765 25786 4554 1 11 . 1 1 61 61 TRP H H 61 8.142 8.142 7.349 0.793 25786 4555 1 11 . 1 1 62 62 PHE N N 62 120.038 120.038 117.853 2.185 25786 4556 1 11 . 1 1 62 62 PHE HA H 62 4.205 4.205 3.942 0.263 25786 4557 1 11 . 1 1 62 62 PHE C C 62 179.080 179.080 178.693 0.387 25786 4558 1 11 . 1 1 62 62 PHE CA C 62 63.629 63.629 61.620 2.009 25786 4559 1 11 . 1 1 62 62 PHE CB C 62 38.664 38.664 38.081 0.583 25786 4560 1 11 . 1 1 62 62 PHE H H 62 9.447 9.447 8.328 1.119 25786 4561 1 11 . 1 1 63 63 ARG N N 63 118.560 118.560 118.112 0.448 25786 4562 1 11 . 1 1 63 63 ARG HA H 63 4.258 4.258 4.468 -0.210 25786 4563 1 11 . 1 1 63 63 ARG C C 63 181.328 181.328 179.360 1.968 25786 4564 1 11 . 1 1 63 63 ARG CA C 63 59.257 59.257 59.023 0.234 25786 4565 1 11 . 1 1 63 63 ARG CB C 63 29.697 29.697 30.125 -0.428 25786 4566 1 11 . 1 1 63 63 ARG H H 63 8.665 8.665 8.105 0.560 25786 4567 1 11 . 1 1 64 64 LYS N N 64 122.759 122.759 118.827 3.932 25786 4568 1 11 . 1 1 64 64 LYS HA H 64 4.019 4.019 4.221 -0.202 25786 4569 1 11 . 1 1 64 64 LYS C C 64 177.595 177.595 176.955 0.640 25786 4570 1 11 . 1 1 64 64 LYS CA C 64 58.651 58.651 58.058 0.593 25786 4571 1 11 . 1 1 64 64 LYS CB C 64 31.510 31.510 32.310 -0.800 25786 4572 1 11 . 1 1 64 64 LYS H H 64 8.690 8.690 7.720 0.970 25786 4573 1 11 . 1 1 65 65 ASN N N 65 115.681 115.681 116.088 -0.407 25786 4574 1 11 . 1 1 65 65 ASN HA H 65 4.532 4.532 4.781 -0.249 25786 4575 1 11 . 1 1 65 65 ASN C C 65 173.405 173.405 174.618 -1.213 25786 4576 1 11 . 1 1 65 65 ASN CA C 65 53.685 53.685 51.940 1.745 25786 4577 1 11 . 1 1 65 65 ASN CB C 65 39.038 39.038 38.806 0.232 25786 4578 1 11 . 1 1 65 65 ASN H H 65 7.246 7.246 7.747 -0.501 25786 4579 1 11 . 1 1 66 66 GLY N N 66 105.186 105.186 104.965 0.221 25786 4580 1 11 . 1 1 66 66 GLY C C 66 173.869 173.869 173.681 0.188 25786 4581 1 11 . 1 1 66 66 GLY CA C 66 45.539 45.539 44.908 0.631 25786 4582 1 11 . 1 1 66 66 GLY H H 66 7.603 7.603 7.572 0.031 25786 4583 1 11 . 1 1 67 67 TYR N N 67 119.699 119.699 121.247 -1.548 25786 4584 1 11 . 1 1 67 67 TYR HA H 67 4.542 4.542 4.569 -0.027 25786 4585 1 11 . 1 1 67 67 TYR C C 67 175.838 175.838 175.766 0.072 25786 4586 1 11 . 1 1 67 67 TYR CA C 67 57.858 57.858 57.577 0.281 25786 4587 1 11 . 1 1 67 67 TYR CB C 67 38.564 38.564 38.339 0.225 25786 4588 1 11 . 1 1 67 67 TYR H H 67 8.248 8.248 8.191 0.057 25786 4589 1 11 . 1 1 68 68 ARG N N 68 125.588 125.588 126.685 -1.097 25786 4590 1 11 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.431 -0.042 25786 4591 1 11 . 1 1 68 68 ARG C C 68 174.479 174.479 174.985 -0.506 25786 4592 1 11 . 1 1 68 68 ARG CA C 68 55.649 55.649 55.712 -0.063 25786 4593 1 11 . 1 1 68 68 ARG CB C 68 28.357 28.357 28.478 -0.121 25786 4594 1 11 . 1 1 68 68 ARG H H 68 8.550 8.550 8.979 -0.429 25786 4595 1 11 . 1 1 69 69 LEU N N 69 122.034 122.034 122.742 -0.708 25786 4596 1 11 . 1 1 69 69 LEU HA H 69 4.711 4.711 4.560 0.151 25786 4597 1 11 . 1 1 69 69 LEU C C 69 175.630 175.630 176.783 -1.153 25786 4598 1 11 . 1 1 69 69 LEU CA C 69 53.367 53.367 53.715 -0.348 25786 4599 1 11 . 1 1 69 69 LEU CB C 69 44.286 44.286 43.854 0.432 25786 4600 1 11 . 1 1 69 69 LEU H H 69 7.421 7.421 7.824 -0.403 25786 4601 1 11 . 1 1 70 70 THR N N 70 109.789 109.789 116.723 -6.934 25786 4602 1 11 . 1 1 70 70 THR HA H 70 4.721 4.721 4.482 0.239 25786 4603 1 11 . 1 1 70 70 THR C C 70 174.636 174.636 174.853 -0.217 25786 4604 1 11 . 1 1 70 70 THR CA C 70 59.377 59.377 61.069 -1.692 25786 4605 1 11 . 1 1 70 70 THR CB C 70 72.180 72.180 70.257 1.923 25786 4606 1 11 . 1 1 70 70 THR H H 70 8.163 8.163 8.274 -0.111 25786 4607 1 11 . 1 1 71 71 LEU N N 71 122.563 122.563 126.981 -4.418 25786 4608 1 11 . 1 1 71 71 LEU HA H 71 3.885 3.885 3.963 -0.078 25786 4609 1 11 . 1 1 71 71 LEU C C 71 178.632 178.632 178.203 0.429 25786 4610 1 11 . 1 1 71 71 LEU CA C 71 58.196 58.196 57.853 0.343 25786 4611 1 11 . 1 1 71 71 LEU CB C 71 41.940 41.940 42.077 -0.137 25786 4612 1 11 . 1 1 71 71 LEU H H 71 8.825 8.825 8.835 -0.010 25786 4613 1 11 . 1 1 72 72 ARG N N 72 115.949 115.949 119.567 -3.618 25786 4614 1 11 . 1 1 72 72 ARG HA H 72 3.876 3.876 4.076 -0.200 25786 4615 1 11 . 1 1 72 72 ARG C C 72 178.893 178.893 178.185 0.708 25786 4616 1 11 . 1 1 72 72 ARG CA C 72 59.147 59.147 60.127 -0.980 25786 4617 1 11 . 1 1 72 72 ARG CB C 72 29.631 29.631 29.767 -0.136 25786 4618 1 11 . 1 1 72 72 ARG H H 72 8.244 8.244 8.387 -0.143 25786 4619 1 11 . 1 1 73 73 GLU N N 73 117.665 117.665 118.427 -0.762 25786 4620 1 11 . 1 1 73 73 GLU HA H 73 3.951 3.951 4.093 -0.142 25786 4621 1 11 . 1 1 73 73 GLU C C 73 178.762 178.762 179.229 -0.467 25786 4622 1 11 . 1 1 73 73 GLU CA C 73 59.092 59.092 59.709 -0.617 25786 4623 1 11 . 1 1 73 73 GLU CB C 73 29.739 29.739 28.751 0.988 25786 4624 1 11 . 1 1 73 73 GLU H H 73 7.461 7.461 8.223 -0.762 25786 4625 1 11 . 1 1 74 74 LEU N N 74 117.724 117.724 119.491 -1.767 25786 4626 1 11 . 1 1 74 74 LEU HA H 74 3.898 3.898 4.288 -0.390 25786 4627 1 11 . 1 1 74 74 LEU C C 74 179.355 179.355 179.839 -0.484 25786 4628 1 11 . 1 1 74 74 LEU CA C 74 57.469 57.469 57.298 0.171 25786 4629 1 11 . 1 1 74 74 LEU CB C 74 41.619 41.619 41.473 0.146 25786 4630 1 11 . 1 1 74 74 LEU H H 74 7.413 7.413 7.305 0.108 25786 4631 1 11 . 1 1 75 75 TYR N N 75 114.976 114.976 119.370 -4.394 25786 4632 1 11 . 1 1 75 75 TYR HA H 75 4.054 4.054 4.368 -0.314 25786 4633 1 11 . 1 1 75 75 TYR C C 75 176.656 176.656 177.656 -1.000 25786 4634 1 11 . 1 1 75 75 TYR CA C 75 60.638 60.638 60.314 0.324 25786 4635 1 11 . 1 1 75 75 TYR CB C 75 39.688 39.688 37.829 1.859 25786 4636 1 11 . 1 1 75 75 TYR H H 75 8.086 8.086 7.794 0.292 25786 4637 1 11 . 1 1 76 76 ALA N N 76 119.116 119.116 120.887 -1.771 25786 4638 1 11 . 1 1 76 76 ALA HA H 76 4.052 4.052 4.222 -0.170 25786 4639 1 11 . 1 1 76 76 ALA C C 76 178.156 178.156 177.598 0.558 25786 4640 1 11 . 1 1 76 76 ALA CA C 76 54.468 54.468 53.796 0.672 25786 4641 1 11 . 1 1 76 76 ALA CB C 76 18.535 18.535 19.613 -1.078 25786 4642 1 11 . 1 1 76 76 ALA H H 76 7.776 7.776 7.822 -0.046 25786 4643 1 11 . 1 1 77 77 ALA N N 77 116.862 116.862 119.612 -2.750 25786 4644 1 11 . 1 1 77 77 ALA C C 77 173.737 173.737 174.404 -0.667 25786 4645 1 11 . 1 1 77 77 ALA CA C 77 49.713 49.713 49.864 -0.151 25786 4646 1 11 . 1 1 77 77 ALA CB C 77 19.226 19.226 20.146 -0.920 25786 4647 1 11 . 1 1 77 77 ALA H H 77 6.706 6.706 7.968 -1.262 25786 4648 1 11 . 1 1 78 78 PRO HA H 78 5.018 5.018 4.815 0.203 25786 4649 1 11 . 1 1 78 78 PRO CA C 78 61.523 61.523 62.571 -1.048 25786 4650 1 11 . 1 1 78 78 PRO CB C 78 28.845 28.845 30.060 -1.215 25786 4651 1 11 . 1 1 79 79 THR N N 79 111.947 111.947 111.803 0.144 25786 4652 1 11 . 1 1 79 79 THR HA H 79 4.396 4.396 4.445 -0.049 25786 4653 1 11 . 1 1 79 79 THR C C 79 173.000 173.000 174.481 -1.481 25786 4654 1 11 . 1 1 79 79 THR CA C 79 58.059 58.059 59.575 -1.516 25786 4655 1 11 . 1 1 79 79 THR CB C 79 72.247 72.247 72.499 -0.252 25786 4656 1 11 . 1 1 79 79 THR H H 79 7.664 7.664 7.111 0.553 25786 4657 1 11 . 1 1 80 80 LEU N N 80 123.227 123.227 122.833 0.394 25786 4658 1 11 . 1 1 80 80 LEU HA H 80 3.747 3.747 4.472 -0.725 25786 4659 1 11 . 1 1 80 80 LEU C C 80 179.028 179.028 178.975 0.053 25786 4660 1 11 . 1 1 80 80 LEU CA C 80 58.209 58.209 57.116 1.093 25786 4661 1 11 . 1 1 80 80 LEU CB C 80 41.579 41.579 41.990 -0.411 25786 4662 1 11 . 1 1 80 80 LEU H H 80 9.609 9.609 9.011 0.598 25786 4663 1 11 . 1 1 81 81 ALA N N 81 119.663 119.663 121.555 -1.892 25786 4664 1 11 . 1 1 81 81 ALA HA H 81 4.141 4.141 4.093 0.048 25786 4665 1 11 . 1 1 81 81 ALA C C 81 181.038 181.038 178.655 2.383 25786 4666 1 11 . 1 1 81 81 ALA CA C 81 54.876 54.876 54.504 0.372 25786 4667 1 11 . 1 1 81 81 ALA CB C 81 18.428 18.428 18.220 0.208 25786 4668 1 11 . 1 1 81 81 ALA H H 81 8.831 8.831 9.060 -0.229 25786 4669 1 11 . 1 1 82 82 ALA N N 82 122.181 122.181 122.538 -0.357 25786 4670 1 11 . 1 1 82 82 ALA HA H 82 4.225 4.225 4.152 0.073 25786 4671 1 11 . 1 1 82 82 ALA C C 82 181.868 181.868 179.580 2.288 25786 4672 1 11 . 1 1 82 82 ALA CA C 82 54.808 54.808 55.030 -0.222 25786 4673 1 11 . 1 1 82 82 ALA CB C 82 19.088 19.088 18.349 0.739 25786 4674 1 11 . 1 1 82 82 ALA H H 82 8.272 8.272 7.832 0.440 25786 4675 1 11 . 1 1 83 83 TRP N N 83 123.399 123.399 118.457 4.942 25786 4676 1 11 . 1 1 83 83 TRP HA H 83 4.543 4.543 4.270 0.273 25786 4677 1 11 . 1 1 83 83 TRP C C 83 178.633 178.633 178.462 0.171 25786 4678 1 11 . 1 1 83 83 TRP CA C 83 59.562 59.562 60.192 -0.630 25786 4679 1 11 . 1 1 83 83 TRP CB C 83 28.301 28.301 28.377 -0.076 25786 4680 1 11 . 1 1 83 83 TRP H H 83 9.378 9.378 8.660 0.718 25786 4681 1 11 . 1 1 84 84 ASN N N 84 118.250 118.250 117.643 0.607 25786 4682 1 11 . 1 1 84 84 ASN HA H 84 4.616 4.616 3.399 1.217 25786 4683 1 11 . 1 1 84 84 ASN C C 84 177.231 177.231 177.186 0.045 25786 4684 1 11 . 1 1 84 84 ASN CA C 84 57.096 57.096 56.354 0.742 25786 4685 1 11 . 1 1 84 84 ASN CB C 84 39.229 39.229 37.933 1.296 25786 4686 1 11 . 1 1 84 84 ASN H H 84 9.136 9.136 7.953 1.183 25786 4687 1 11 . 1 1 85 85 GLN N N 85 116.261 116.261 118.883 -2.622 25786 4688 1 11 . 1 1 85 85 GLN HA H 85 4.011 4.011 3.990 0.021 25786 4689 1 11 . 1 1 85 85 GLN C C 85 179.455 179.455 178.689 0.766 25786 4690 1 11 . 1 1 85 85 GLN CA C 85 58.748 58.748 58.543 0.205 25786 4691 1 11 . 1 1 85 85 GLN CB C 85 27.840 27.840 28.609 -0.769 25786 4692 1 11 . 1 1 85 85 GLN H H 85 7.511 7.511 7.734 -0.223 25786 4693 1 11 . 1 1 86 86 LEU N N 86 121.554 121.554 119.663 1.891 25786 4694 1 11 . 1 1 86 86 LEU HA H 86 4.041 4.041 3.933 0.108 25786 4695 1 11 . 1 1 86 86 LEU C C 86 179.171 179.171 179.173 -0.002 25786 4696 1 11 . 1 1 86 86 LEU CA C 86 57.804 57.804 57.432 0.372 25786 4697 1 11 . 1 1 86 86 LEU CB C 86 41.915 41.915 41.441 0.474 25786 4698 1 11 . 1 1 86 86 LEU H H 86 8.172 8.172 8.409 -0.237 25786 4699 1 11 . 1 1 87 87 MET N N 87 117.874 117.874 116.603 1.271 25786 4700 1 11 . 1 1 87 87 MET HA H 87 3.752 3.752 4.131 -0.379 25786 4701 1 11 . 1 1 87 87 MET C C 87 178.221 178.221 178.300 -0.079 25786 4702 1 11 . 1 1 87 87 MET CA C 87 59.481 59.481 57.331 2.150 25786 4703 1 11 . 1 1 87 87 MET CB C 87 34.875 34.875 32.135 2.740 25786 4704 1 11 . 1 1 87 87 MET H H 87 8.197 8.197 7.630 0.567 25786 4705 1 11 . 1 1 88 88 LEU N N 88 117.598 117.598 121.791 -4.193 25786 4706 1 11 . 1 1 88 88 LEU HA H 88 4.054 4.054 4.241 -0.187 25786 4707 1 11 . 1 1 88 88 LEU C C 88 179.237 179.237 178.908 0.329 25786 4708 1 11 . 1 1 88 88 LEU CA C 88 57.076 57.076 58.134 -1.058 25786 4709 1 11 . 1 1 88 88 LEU CB C 88 42.395 42.395 42.064 0.331 25786 4710 1 11 . 1 1 88 88 LEU H H 88 7.902 7.902 8.214 -0.312 25786 4711 1 11 . 1 1 89 89 SER N N 89 113.195 113.195 113.556 -0.361 25786 4712 1 11 . 1 1 89 89 SER HA H 89 4.038 4.038 4.296 -0.258 25786 4713 1 11 . 1 1 89 89 SER C C 89 175.090 175.090 175.201 -0.111 25786 4714 1 11 . 1 1 89 89 SER CA C 89 59.901 59.901 60.643 -0.742 25786 4715 1 11 . 1 1 89 89 SER CB C 89 63.834 63.834 63.111 0.723 25786 4716 1 11 . 1 1 89 89 SER H H 89 7.958 7.958 8.207 -0.249 25786 4717 1 11 . 1 1 90 90 ARG N N 90 122.031 122.031 120.676 1.355 25786 4718 1 11 . 1 1 90 90 ARG HA H 90 4.701 4.701 4.361 0.340 25786 4719 1 11 . 1 1 90 90 ARG C C 90 175.695 175.695 174.841 0.854 25786 4720 1 11 . 1 1 90 90 ARG CA C 90 53.905 53.905 56.456 -2.550 25786 4721 1 11 . 1 1 90 90 ARG CB C 90 29.631 29.631 31.164 -1.533 25786 4722 1 11 . 1 1 90 90 ARG H H 90 7.923 7.923 8.133 -0.210 25786 4723 1 11 . 1 1 91 91 SER N N 91 117.191 117.191 115.420 1.771 25786 4724 1 11 . 1 1 91 91 SER C C 91 172.914 172.914 171.793 1.121 25786 4725 1 11 . 1 1 91 91 SER CA C 91 57.104 57.104 55.968 1.135 25786 4726 1 11 . 1 1 91 91 SER CB C 91 63.437 63.437 63.719 -0.282 25786 4727 1 11 . 1 1 91 91 SER H H 91 7.752 7.752 7.840 -0.088 25786 4728 1 11 . 1 1 92 92 PRO HA H 92 4.420 4.420 4.370 0.050 25786 4729 1 11 . 1 1 92 92 PRO CA C 92 63.414 63.414 63.486 -0.072 25786 4730 1 11 . 1 1 92 92 PRO CB C 92 31.895 31.895 31.928 -0.033 25786 4731 1 12 . 1 1 15 15 ASN N N 15 119.857 119.857 117.221 2.636 25786 4732 1 12 . 1 1 15 15 ASN HA H 15 4.719 4.719 4.912 -0.193 25786 4733 1 12 . 1 1 15 15 ASN C C 15 175.735 175.735 175.521 0.214 25786 4734 1 12 . 1 1 15 15 ASN CA C 15 53.556 53.556 52.494 1.062 25786 4735 1 12 . 1 1 15 15 ASN CB C 15 38.731 38.731 39.287 -0.556 25786 4736 1 12 . 1 1 15 15 ASN H H 15 8.425 8.425 8.322 0.103 25786 4737 1 12 . 1 1 16 16 ARG N N 16 122.030 122.030 122.444 -0.414 25786 4738 1 12 . 1 1 16 16 ARG HA H 16 4.211 4.211 4.019 0.192 25786 4739 1 12 . 1 1 16 16 ARG C C 16 176.669 176.669 178.600 -1.931 25786 4740 1 12 . 1 1 16 16 ARG CA C 16 57.735 57.735 60.213 -2.478 25786 4741 1 12 . 1 1 16 16 ARG CB C 16 30.224 30.224 30.043 0.181 25786 4742 1 12 . 1 1 16 16 ARG H H 16 8.347 8.347 8.793 -0.447 25786 4743 1 12 . 1 1 17 17 HIS N N 17 118.590 118.590 117.469 1.121 25786 4744 1 12 . 1 1 17 17 HIS HA H 17 4.563 4.563 4.561 0.002 25786 4745 1 12 . 1 1 17 17 HIS C C 17 176.284 176.284 176.985 -0.701 25786 4746 1 12 . 1 1 17 17 HIS CA C 17 58.394 58.394 57.515 0.879 25786 4747 1 12 . 1 1 17 17 HIS CB C 17 30.362 30.362 29.768 0.594 25786 4748 1 12 . 1 1 17 17 HIS H H 17 8.395 8.395 8.481 -0.086 25786 4749 1 12 . 1 1 18 18 ALA N N 18 122.047 122.047 120.790 1.257 25786 4750 1 12 . 1 1 18 18 ALA HA H 18 4.182 4.182 4.277 -0.095 25786 4751 1 12 . 1 1 18 18 ALA C C 18 180.003 180.003 178.145 1.858 25786 4752 1 12 . 1 1 18 18 ALA CA C 18 54.294 54.294 53.927 0.367 25786 4753 1 12 . 1 1 18 18 ALA CB C 18 18.849 18.849 18.045 0.804 25786 4754 1 12 . 1 1 18 18 ALA H H 18 8.436 8.436 8.596 -0.160 25786 4755 1 12 . 1 1 19 19 ALA N N 19 122.607 122.607 120.795 1.812 25786 4756 1 12 . 1 1 19 19 ALA HA H 19 4.275 4.275 4.098 0.177 25786 4757 1 12 . 1 1 19 19 ALA C C 19 180.295 180.295 178.993 1.302 25786 4758 1 12 . 1 1 19 19 ALA CA C 19 55.040 55.040 54.757 0.283 25786 4759 1 12 . 1 1 19 19 ALA CB C 19 18.267 18.267 18.439 -0.172 25786 4760 1 12 . 1 1 19 19 ALA H H 19 8.402 8.402 7.632 0.770 25786 4761 1 12 . 1 1 20 20 ASP N N 20 118.796 118.796 118.464 0.332 25786 4762 1 12 . 1 1 20 20 ASP HA H 20 4.837 4.837 4.656 0.181 25786 4763 1 12 . 1 1 20 20 ASP C C 20 177.313 177.313 177.677 -0.364 25786 4764 1 12 . 1 1 20 20 ASP CA C 20 56.725 56.725 56.205 0.520 25786 4765 1 12 . 1 1 20 20 ASP CB C 20 40.189 40.189 41.277 -1.088 25786 4766 1 12 . 1 1 20 20 ASP H H 20 8.317 8.317 8.194 0.123 25786 4767 1 12 . 1 1 21 21 TYR N N 21 120.958 120.958 121.093 -0.135 25786 4768 1 12 . 1 1 21 21 TYR HA H 21 4.058 4.058 4.382 -0.324 25786 4769 1 12 . 1 1 21 21 TYR C C 21 176.282 176.282 177.282 -1.000 25786 4770 1 12 . 1 1 21 21 TYR CA C 21 61.892 61.892 60.992 0.900 25786 4771 1 12 . 1 1 21 21 TYR CB C 21 38.655 38.655 38.521 0.134 25786 4772 1 12 . 1 1 21 21 TYR H H 21 8.679 8.679 7.582 1.097 25786 4773 1 12 . 1 1 22 22 GLN N N 22 117.715 117.715 119.054 -1.339 25786 4774 1 12 . 1 1 22 22 GLN HA H 22 3.826 3.826 4.023 -0.197 25786 4775 1 12 . 1 1 22 22 GLN C C 22 178.197 178.197 178.176 0.021 25786 4776 1 12 . 1 1 22 22 GLN CA C 22 59.110 59.110 59.577 -0.467 25786 4777 1 12 . 1 1 22 22 GLN CB C 22 27.430 27.430 27.752 -0.322 25786 4778 1 12 . 1 1 22 22 GLN H H 22 8.236 8.236 8.035 0.201 25786 4779 1 12 . 1 1 23 23 GLN N N 23 118.526 118.526 118.563 -0.037 25786 4780 1 12 . 1 1 23 23 GLN HA H 23 4.100 4.100 4.030 0.070 25786 4781 1 12 . 1 1 23 23 GLN C C 23 177.521 177.521 178.546 -1.025 25786 4782 1 12 . 1 1 23 23 GLN CA C 23 58.915 58.915 59.161 -0.246 25786 4783 1 12 . 1 1 23 23 GLN CB C 23 29.032 29.032 27.903 1.129 25786 4784 1 12 . 1 1 23 23 GLN H H 23 8.003 8.003 7.925 0.078 25786 4785 1 12 . 1 1 24 24 LEU N N 24 121.914 121.914 120.874 1.040 25786 4786 1 12 . 1 1 24 24 LEU HA H 24 3.444 3.444 3.227 0.217 25786 4787 1 12 . 1 1 24 24 LEU C C 24 176.882 176.882 178.015 -1.133 25786 4788 1 12 . 1 1 24 24 LEU CA C 24 58.115 58.115 57.704 0.411 25786 4789 1 12 . 1 1 24 24 LEU CB C 24 41.704 41.704 41.443 0.261 25786 4790 1 12 . 1 1 24 24 LEU H H 24 8.031 8.031 7.707 0.324 25786 4791 1 12 . 1 1 25 25 ARG N N 25 116.645 116.645 119.034 -2.389 25786 4792 1 12 . 1 1 25 25 ARG HA H 25 3.395 3.395 3.565 -0.170 25786 4793 1 12 . 1 1 25 25 ARG C C 25 177.469 177.469 178.516 -1.047 25786 4794 1 12 . 1 1 25 25 ARG CA C 25 60.246 60.246 60.028 0.218 25786 4795 1 12 . 1 1 25 25 ARG CB C 25 29.925 29.925 30.100 -0.175 25786 4796 1 12 . 1 1 25 25 ARG H H 25 7.981 7.981 8.159 -0.178 25786 4797 1 12 . 1 1 26 26 GLU N N 26 115.943 115.943 118.390 -2.447 25786 4798 1 12 . 1 1 26 26 GLU HA H 26 3.832 3.832 3.936 -0.104 25786 4799 1 12 . 1 1 26 26 GLU C C 26 179.682 179.682 179.242 0.440 25786 4800 1 12 . 1 1 26 26 GLU CA C 26 59.517 59.517 59.328 0.189 25786 4801 1 12 . 1 1 26 26 GLU CB C 26 29.439 29.439 29.448 -0.009 25786 4802 1 12 . 1 1 26 26 GLU H H 26 8.160 8.160 8.187 -0.027 25786 4803 1 12 . 1 1 27 27 ARG N N 27 118.766 118.766 120.068 -1.302 25786 4804 1 12 . 1 1 27 27 ARG HA H 27 4.144 4.144 4.192 -0.048 25786 4805 1 12 . 1 1 27 27 ARG C C 27 179.241 179.241 178.477 0.764 25786 4806 1 12 . 1 1 27 27 ARG CA C 27 58.855 58.855 57.737 1.118 25786 4807 1 12 . 1 1 27 27 ARG CB C 27 29.996 29.996 29.668 0.328 25786 4808 1 12 . 1 1 27 27 ARG H H 27 8.283 8.283 7.762 0.521 25786 4809 1 12 . 1 1 28 28 LEU N N 28 122.077 122.077 120.840 1.237 25786 4810 1 12 . 1 1 28 28 LEU HA H 28 4.106 4.106 3.941 0.165 25786 4811 1 12 . 1 1 28 28 LEU C C 28 178.766 178.766 179.007 -0.241 25786 4812 1 12 . 1 1 28 28 LEU CA C 28 58.558 58.558 58.098 0.460 25786 4813 1 12 . 1 1 28 28 LEU CB C 28 42.514 42.514 41.418 1.096 25786 4814 1 12 . 1 1 28 28 LEU H H 28 8.389 8.389 8.129 0.260 25786 4815 1 12 . 1 1 29 29 ILE N N 29 117.586 117.586 118.777 -1.191 25786 4816 1 12 . 1 1 29 29 ILE HA H 29 3.339 3.339 3.569 -0.230 25786 4817 1 12 . 1 1 29 29 ILE C C 29 177.927 177.927 177.733 0.194 25786 4818 1 12 . 1 1 29 29 ILE CA C 29 66.203 66.203 66.052 0.151 25786 4819 1 12 . 1 1 29 29 ILE CB C 29 37.823 37.823 37.568 0.255 25786 4820 1 12 . 1 1 29 29 ILE H H 29 7.914 7.914 8.063 -0.149 25786 4821 1 12 . 1 1 30 30 GLN N N 30 116.395 116.395 118.621 -2.226 25786 4822 1 12 . 1 1 30 30 GLN HA H 30 4.157 4.157 4.119 0.038 25786 4823 1 12 . 1 1 30 30 GLN C C 30 179.400 179.400 178.647 0.753 25786 4824 1 12 . 1 1 30 30 GLN CA C 30 58.410 58.410 58.271 0.139 25786 4825 1 12 . 1 1 30 30 GLN CB C 30 28.804 28.804 28.293 0.512 25786 4826 1 12 . 1 1 30 30 GLN H H 30 7.287 7.287 7.616 -0.329 25786 4827 1 12 . 1 1 31 31 GLU N N 31 120.336 120.336 121.535 -1.199 25786 4828 1 12 . 1 1 31 31 GLU HA H 31 4.023 4.023 4.156 -0.133 25786 4829 1 12 . 1 1 31 31 GLU C C 31 178.395 178.395 179.037 -0.642 25786 4830 1 12 . 1 1 31 31 GLU CA C 31 59.377 59.377 59.042 0.335 25786 4831 1 12 . 1 1 31 31 GLU CB C 31 30.436 30.436 29.620 0.816 25786 4832 1 12 . 1 1 31 31 GLU H H 31 8.814 8.814 8.512 0.302 25786 4833 1 12 . 1 1 32 32 LEU N N 32 115.139 115.139 117.191 -2.052 25786 4834 1 12 . 1 1 32 32 LEU HA H 32 4.377 4.377 4.661 -0.284 25786 4835 1 12 . 1 1 32 32 LEU C C 32 176.033 176.033 176.956 -0.923 25786 4836 1 12 . 1 1 32 32 LEU CA C 32 54.101 54.101 54.778 -0.677 25786 4837 1 12 . 1 1 32 32 LEU CB C 32 41.354 41.354 42.044 -0.690 25786 4838 1 12 . 1 1 32 32 LEU H H 32 8.109 8.109 8.164 -0.055 25786 4839 1 12 . 1 1 33 33 ASN N N 33 116.751 116.751 114.953 1.798 25786 4840 1 12 . 1 1 33 33 ASN HA H 33 4.453 4.453 4.406 0.047 25786 4841 1 12 . 1 1 33 33 ASN C C 33 174.288 174.288 174.527 -0.239 25786 4842 1 12 . 1 1 33 33 ASN CA C 33 54.024 54.024 53.887 0.137 25786 4843 1 12 . 1 1 33 33 ASN CB C 33 36.929 36.929 37.574 -0.645 25786 4844 1 12 . 1 1 33 33 ASN H H 33 7.796 7.796 7.473 0.323 25786 4845 1 12 . 1 1 34 34 LEU N N 34 117.139 117.139 117.979 -0.840 25786 4846 1 12 . 1 1 34 34 LEU HA H 34 4.787 4.787 4.603 0.184 25786 4847 1 12 . 1 1 34 34 LEU C C 34 176.521 176.521 175.969 0.552 25786 4848 1 12 . 1 1 34 34 LEU CA C 34 53.079 53.079 53.392 -0.313 25786 4849 1 12 . 1 1 34 34 LEU CB C 34 44.673 44.673 45.704 -1.031 25786 4850 1 12 . 1 1 34 34 LEU H H 34 7.728 7.728 8.584 -0.856 25786 4851 1 12 . 1 1 35 35 THR N N 35 110.751 110.751 110.763 -0.012 25786 4852 1 12 . 1 1 35 35 THR HA H 35 4.803 4.803 4.804 -0.001 25786 4853 1 12 . 1 1 35 35 THR C C 35 174.438 174.438 174.280 0.158 25786 4854 1 12 . 1 1 35 35 THR CA C 35 59.445 59.445 58.743 0.702 25786 4855 1 12 . 1 1 35 35 THR CB C 35 68.651 68.651 69.093 -0.442 25786 4856 1 12 . 1 1 35 35 THR H H 35 8.001 8.001 7.916 0.085 25786 4857 1 12 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.132 -0.055 25786 4858 1 12 . 1 1 36 36 PRO CA C 36 65.645 65.645 65.710 -0.065 25786 4859 1 12 . 1 1 36 36 PRO CB C 36 31.632 31.632 31.794 -0.162 25786 4860 1 12 . 1 1 37 37 GLN N N 37 112.874 112.874 113.116 -0.242 25786 4861 1 12 . 1 1 37 37 GLN HA H 37 4.105 4.105 4.308 -0.203 25786 4862 1 12 . 1 1 37 37 GLN C C 37 176.960 176.960 176.953 0.007 25786 4863 1 12 . 1 1 37 37 GLN CA C 37 57.891 57.891 56.340 1.552 25786 4864 1 12 . 1 1 37 37 GLN CB C 37 27.902 27.902 28.306 -0.404 25786 4865 1 12 . 1 1 37 37 GLN H H 37 8.005 8.005 8.384 -0.379 25786 4866 1 12 . 1 1 38 38 GLN N N 38 116.477 116.477 120.347 -3.870 25786 4867 1 12 . 1 1 38 38 GLN HA H 38 4.187 4.187 4.328 -0.141 25786 4868 1 12 . 1 1 38 38 GLN C C 38 175.508 175.508 176.057 -0.549 25786 4869 1 12 . 1 1 38 38 GLN CA C 38 56.398 56.398 56.861 -0.463 25786 4870 1 12 . 1 1 38 38 GLN CB C 38 31.126 31.126 29.959 1.167 25786 4871 1 12 . 1 1 38 38 GLN H H 38 7.663 7.663 7.726 -0.063 25786 4872 1 12 . 1 1 39 39 LEU N N 39 120.726 120.726 122.741 -2.015 25786 4873 1 12 . 1 1 39 39 LEU HA H 39 4.371 4.371 4.375 -0.004 25786 4874 1 12 . 1 1 39 39 LEU C C 39 174.277 174.277 174.794 -0.517 25786 4875 1 12 . 1 1 39 39 LEU CA C 39 53.959 53.959 53.730 0.229 25786 4876 1 12 . 1 1 39 39 LEU CB C 39 41.610 41.610 41.533 0.077 25786 4877 1 12 . 1 1 39 39 LEU H H 39 7.286 7.286 7.396 -0.110 25786 4878 1 12 . 1 1 40 40 HIS N N 40 124.680 124.680 125.004 -0.324 25786 4879 1 12 . 1 1 40 40 HIS HA H 40 4.808 4.808 4.534 0.274 25786 4880 1 12 . 1 1 40 40 HIS C C 40 176.727 176.727 176.247 0.480 25786 4881 1 12 . 1 1 40 40 HIS CA C 40 54.762 54.762 56.596 -1.834 25786 4882 1 12 . 1 1 40 40 HIS CB C 40 31.521 31.521 32.636 -1.115 25786 4883 1 12 . 1 1 40 40 HIS H H 40 8.158 8.158 7.678 0.480 25786 4884 1 12 . 1 1 41 41 GLU HA H 41 4.029 4.029 4.005 0.024 25786 4885 1 12 . 1 1 42 42 GLU N N 42 113.813 113.813 115.767 -1.954 25786 4886 1 12 . 1 1 42 42 GLU HA H 42 4.547 4.547 4.336 0.211 25786 4887 1 12 . 1 1 42 42 GLU C C 42 176.680 176.680 176.017 0.663 25786 4888 1 12 . 1 1 42 42 GLU CA C 42 55.313 55.313 55.480 -0.167 25786 4889 1 12 . 1 1 42 42 GLU CB C 42 29.165 29.165 28.631 0.534 25786 4890 1 12 . 1 1 42 42 GLU H H 42 8.808 8.808 8.520 0.288 25786 4891 1 12 . 1 1 43 43 SER N N 43 118.066 118.066 117.717 0.349 25786 4892 1 12 . 1 1 43 43 SER HA H 43 4.088 4.088 4.452 -0.364 25786 4893 1 12 . 1 1 43 43 SER C C 43 173.663 173.663 173.890 -0.227 25786 4894 1 12 . 1 1 43 43 SER CA C 43 60.156 60.156 57.556 2.600 25786 4895 1 12 . 1 1 43 43 SER CB C 43 62.827 62.827 64.537 -1.710 25786 4896 1 12 . 1 1 43 43 SER H H 43 7.485 7.485 7.854 -0.369 25786 4897 1 12 . 1 1 44 44 ASN N N 44 123.218 123.218 124.682 -1.464 25786 4898 1 12 . 1 1 44 44 ASN HA H 44 4.392 4.392 4.851 -0.459 25786 4899 1 12 . 1 1 44 44 ASN C C 44 176.926 176.926 176.739 0.187 25786 4900 1 12 . 1 1 44 44 ASN CA C 44 53.987 53.987 53.691 0.296 25786 4901 1 12 . 1 1 44 44 ASN CB C 44 38.433 38.433 38.119 0.314 25786 4902 1 12 . 1 1 44 44 ASN H H 44 8.811 8.811 8.823 -0.012 25786 4903 1 12 . 1 1 45 45 LEU N N 45 128.735 128.735 124.955 3.780 25786 4904 1 12 . 1 1 45 45 LEU HA H 45 3.722 3.722 3.928 -0.206 25786 4905 1 12 . 1 1 45 45 LEU C C 45 178.143 178.143 178.134 0.009 25786 4906 1 12 . 1 1 45 45 LEU CA C 45 57.149 57.149 58.239 -1.090 25786 4907 1 12 . 1 1 45 45 LEU CB C 45 42.250 42.250 41.675 0.575 25786 4908 1 12 . 1 1 45 45 LEU H H 45 9.385 9.385 8.738 0.647 25786 4909 1 12 . 1 1 46 46 ILE N N 46 119.379 119.379 116.765 2.614 25786 4910 1 12 . 1 1 46 46 ILE HA H 46 4.187 4.187 4.156 0.031 25786 4911 1 12 . 1 1 46 46 ILE C C 46 180.926 180.926 178.769 2.157 25786 4912 1 12 . 1 1 46 46 ILE CA C 46 63.814 63.814 64.146 -0.332 25786 4913 1 12 . 1 1 46 46 ILE CB C 46 36.709 36.709 37.812 -1.103 25786 4914 1 12 . 1 1 46 46 ILE H H 46 7.659 7.659 8.156 -0.497 25786 4915 1 12 . 1 1 47 47 GLN N N 47 121.737 121.737 117.999 3.738 25786 4916 1 12 . 1 1 47 47 GLN HA H 47 3.989 3.989 4.260 -0.271 25786 4917 1 12 . 1 1 47 47 GLN C C 47 177.739 177.739 176.321 1.418 25786 4918 1 12 . 1 1 47 47 GLN CA C 47 58.033 58.033 57.266 0.767 25786 4919 1 12 . 1 1 47 47 GLN CB C 47 27.985 27.985 28.921 -0.936 25786 4920 1 12 . 1 1 47 47 GLN H H 47 8.161 8.161 7.801 0.360 25786 4921 1 12 . 1 1 48 48 ALA N N 48 117.777 117.777 121.518 -3.741 25786 4922 1 12 . 1 1 48 48 ALA HA H 48 4.260 4.260 4.548 -0.288 25786 4923 1 12 . 1 1 48 48 ALA C C 48 176.582 176.582 177.986 -1.404 25786 4924 1 12 . 1 1 48 48 ALA CA C 48 52.710 52.710 52.541 0.169 25786 4925 1 12 . 1 1 48 48 ALA CB C 48 18.601 18.601 20.252 -1.651 25786 4926 1 12 . 1 1 48 48 ALA H H 48 7.448 7.448 7.305 0.143 25786 4927 1 12 . 1 1 49 49 GLY N N 49 102.932 102.932 105.636 -2.704 25786 4928 1 12 . 1 1 49 49 GLY C C 49 174.451 174.451 172.598 1.853 25786 4929 1 12 . 1 1 49 49 GLY CA C 49 44.967 44.967 45.097 -0.130 25786 4930 1 12 . 1 1 49 49 GLY H H 49 7.445 7.445 8.290 -0.845 25786 4931 1 12 . 1 1 50 50 LEU N N 50 123.058 123.058 121.055 2.003 25786 4932 1 12 . 1 1 50 50 LEU HA H 50 4.257 4.257 4.830 -0.573 25786 4933 1 12 . 1 1 50 50 LEU C C 50 173.460 173.460 174.333 -0.873 25786 4934 1 12 . 1 1 50 50 LEU CA C 50 55.909 55.909 54.152 1.757 25786 4935 1 12 . 1 1 50 50 LEU CB C 50 41.454 41.454 46.464 -5.010 25786 4936 1 12 . 1 1 50 50 LEU H H 50 8.545 8.545 7.455 1.090 25786 4937 1 12 . 1 1 54 54 ARG N N 54 121.407 121.407 121.655 -0.248 25786 4938 1 12 . 1 1 54 54 ARG HA H 54 4.088 4.088 4.063 0.025 25786 4939 1 12 . 1 1 54 54 ARG C C 54 179.647 179.647 178.459 1.188 25786 4940 1 12 . 1 1 54 54 ARG CA C 54 59.615 59.615 59.160 0.455 25786 4941 1 12 . 1 1 54 54 ARG CB C 54 30.633 30.633 30.764 -0.131 25786 4942 1 12 . 1 1 54 54 ARG H H 54 8.412 8.412 8.645 -0.233 25786 4943 1 12 . 1 1 55 55 LEU N N 55 121.118 121.118 121.189 -0.071 25786 4944 1 12 . 1 1 55 55 LEU HA H 55 4.332 4.332 4.610 -0.278 25786 4945 1 12 . 1 1 55 55 LEU C C 55 178.416 178.416 178.288 0.128 25786 4946 1 12 . 1 1 55 55 LEU CA C 55 59.035 59.035 58.194 0.841 25786 4947 1 12 . 1 1 55 55 LEU CB C 55 41.718 41.718 42.424 -0.706 25786 4948 1 12 . 1 1 55 55 LEU H H 55 9.050 9.050 8.440 0.610 25786 4949 1 12 . 1 1 56 56 MET N N 56 117.969 117.969 118.963 -0.994 25786 4950 1 12 . 1 1 56 56 MET HA H 56 4.284 4.284 4.091 0.193 25786 4951 1 12 . 1 1 56 56 MET C C 56 178.301 178.301 178.162 0.139 25786 4952 1 12 . 1 1 56 56 MET CA C 56 57.927 57.927 58.966 -1.039 25786 4953 1 12 . 1 1 56 56 MET CB C 56 31.317 31.317 32.278 -0.961 25786 4954 1 12 . 1 1 56 56 MET H H 56 7.875 7.875 7.998 -0.123 25786 4955 1 12 . 1 1 57 57 ARG N N 57 119.532 119.532 119.511 0.021 25786 4956 1 12 . 1 1 57 57 ARG HA H 57 4.096 4.096 4.103 -0.007 25786 4957 1 12 . 1 1 57 57 ARG C C 57 180.458 180.458 178.285 2.173 25786 4958 1 12 . 1 1 57 57 ARG CA C 57 59.770 59.770 59.180 0.590 25786 4959 1 12 . 1 1 57 57 ARG CB C 57 29.520 29.520 29.466 0.054 25786 4960 1 12 . 1 1 57 57 ARG H H 57 7.609 7.609 8.203 -0.594 25786 4961 1 12 . 1 1 58 58 TRP N N 58 121.820 121.820 119.077 2.743 25786 4962 1 12 . 1 1 58 58 TRP HA H 58 4.465 4.465 4.448 0.017 25786 4963 1 12 . 1 1 58 58 TRP C C 58 177.973 177.973 178.458 -0.485 25786 4964 1 12 . 1 1 58 58 TRP CA C 58 61.063 61.063 59.467 1.596 25786 4965 1 12 . 1 1 58 58 TRP CB C 58 28.348 28.348 29.574 -1.226 25786 4966 1 12 . 1 1 58 58 TRP H H 58 8.207 8.207 7.337 0.870 25786 4967 1 12 . 1 1 59 59 LEU N N 59 121.654 121.654 121.501 0.153 25786 4968 1 12 . 1 1 59 59 LEU HA H 59 4.274 4.274 4.206 0.068 25786 4969 1 12 . 1 1 59 59 LEU C C 59 178.823 178.823 178.286 0.537 25786 4970 1 12 . 1 1 59 59 LEU CA C 59 59.044 59.044 58.418 0.626 25786 4971 1 12 . 1 1 59 59 LEU CB C 59 40.851 40.851 41.512 -0.661 25786 4972 1 12 . 1 1 59 59 LEU H H 59 8.599 8.599 8.375 0.224 25786 4973 1 12 . 1 1 60 60 HIS N N 60 116.952 116.952 118.482 -1.530 25786 4974 1 12 . 1 1 60 60 HIS HA H 60 4.389 4.389 4.204 0.185 25786 4975 1 12 . 1 1 60 60 HIS C C 60 177.635 177.635 177.238 0.397 25786 4976 1 12 . 1 1 60 60 HIS CA C 60 59.755 59.755 60.421 -0.666 25786 4977 1 12 . 1 1 60 60 HIS CB C 60 30.083 30.083 30.161 -0.078 25786 4978 1 12 . 1 1 60 60 HIS H H 60 7.909 7.909 8.313 -0.404 25786 4979 1 12 . 1 1 61 61 TRP N N 61 123.194 123.194 121.598 1.596 25786 4980 1 12 . 1 1 61 61 TRP HA H 61 4.032 4.032 4.184 -0.152 25786 4981 1 12 . 1 1 61 61 TRP C C 61 179.298 179.298 178.191 1.107 25786 4982 1 12 . 1 1 61 61 TRP CA C 61 62.541 62.541 61.269 1.272 25786 4983 1 12 . 1 1 61 61 TRP CB C 61 28.839 28.839 29.092 -0.253 25786 4984 1 12 . 1 1 61 61 TRP H H 61 8.142 8.142 7.611 0.531 25786 4985 1 12 . 1 1 62 62 PHE N N 62 120.038 120.038 117.877 2.161 25786 4986 1 12 . 1 1 62 62 PHE HA H 62 4.205 4.205 3.663 0.542 25786 4987 1 12 . 1 1 62 62 PHE C C 62 179.080 179.080 178.552 0.528 25786 4988 1 12 . 1 1 62 62 PHE CA C 62 63.629 63.629 62.117 1.512 25786 4989 1 12 . 1 1 62 62 PHE CB C 62 38.664 38.664 38.266 0.398 25786 4990 1 12 . 1 1 62 62 PHE H H 62 9.447 9.447 8.577 0.870 25786 4991 1 12 . 1 1 63 63 ARG N N 63 118.560 118.560 118.259 0.301 25786 4992 1 12 . 1 1 63 63 ARG HA H 63 4.258 4.258 4.451 -0.193 25786 4993 1 12 . 1 1 63 63 ARG C C 63 181.328 181.328 179.337 1.991 25786 4994 1 12 . 1 1 63 63 ARG CA C 63 59.257 59.257 58.768 0.489 25786 4995 1 12 . 1 1 63 63 ARG CB C 63 29.697 29.697 30.149 -0.452 25786 4996 1 12 . 1 1 63 63 ARG H H 63 8.665 8.665 8.715 -0.050 25786 4997 1 12 . 1 1 64 64 LYS N N 64 122.759 122.759 119.090 3.669 25786 4998 1 12 . 1 1 64 64 LYS HA H 64 4.019 4.019 4.112 -0.093 25786 4999 1 12 . 1 1 64 64 LYS C C 64 177.595 177.595 176.599 0.996 25786 5000 1 12 . 1 1 64 64 LYS CA C 64 58.651 58.651 57.868 0.783 25786 5001 1 12 . 1 1 64 64 LYS CB C 64 31.510 31.510 32.109 -0.599 25786 5002 1 12 . 1 1 64 64 LYS H H 64 8.690 8.690 7.661 1.029 25786 5003 1 12 . 1 1 65 65 ASN N N 65 115.681 115.681 115.568 0.113 25786 5004 1 12 . 1 1 65 65 ASN HA H 65 4.532 4.532 4.648 -0.116 25786 5005 1 12 . 1 1 65 65 ASN C C 65 173.405 173.405 174.806 -1.401 25786 5006 1 12 . 1 1 65 65 ASN CA C 65 53.685 53.685 52.754 0.931 25786 5007 1 12 . 1 1 65 65 ASN CB C 65 39.038 39.038 39.130 -0.092 25786 5008 1 12 . 1 1 65 65 ASN H H 65 7.246 7.246 7.656 -0.410 25786 5009 1 12 . 1 1 66 66 GLY N N 66 105.186 105.186 105.653 -0.467 25786 5010 1 12 . 1 1 66 66 GLY C C 66 173.869 173.869 174.173 -0.304 25786 5011 1 12 . 1 1 66 66 GLY CA C 66 45.539 45.539 44.830 0.709 25786 5012 1 12 . 1 1 66 66 GLY H H 66 7.603 7.603 7.442 0.161 25786 5013 1 12 . 1 1 67 67 TYR N N 67 119.699 119.699 121.413 -1.714 25786 5014 1 12 . 1 1 67 67 TYR HA H 67 4.542 4.542 4.375 0.167 25786 5015 1 12 . 1 1 67 67 TYR C C 67 175.838 175.838 175.865 -0.027 25786 5016 1 12 . 1 1 67 67 TYR CA C 67 57.858 57.858 58.657 -0.799 25786 5017 1 12 . 1 1 67 67 TYR CB C 67 38.564 38.564 38.100 0.464 25786 5018 1 12 . 1 1 67 67 TYR H H 67 8.248 8.248 8.036 0.212 25786 5019 1 12 . 1 1 68 68 ARG N N 68 125.588 125.588 125.048 0.540 25786 5020 1 12 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.447 -0.058 25786 5021 1 12 . 1 1 68 68 ARG C C 68 174.479 174.479 174.757 -0.278 25786 5022 1 12 . 1 1 68 68 ARG CA C 68 55.649 55.649 55.312 0.337 25786 5023 1 12 . 1 1 68 68 ARG CB C 68 28.357 28.357 28.903 -0.546 25786 5024 1 12 . 1 1 68 68 ARG H H 68 8.550 8.550 9.664 -1.113 25786 5025 1 12 . 1 1 69 69 LEU N N 69 122.034 122.034 122.138 -0.104 25786 5026 1 12 . 1 1 69 69 LEU HA H 69 4.711 4.711 4.445 0.266 25786 5027 1 12 . 1 1 69 69 LEU C C 69 175.630 175.630 176.946 -1.316 25786 5028 1 12 . 1 1 69 69 LEU CA C 69 53.367 53.367 54.104 -0.737 25786 5029 1 12 . 1 1 69 69 LEU CB C 69 44.286 44.286 42.931 1.355 25786 5030 1 12 . 1 1 69 69 LEU H H 69 7.421 7.421 7.711 -0.290 25786 5031 1 12 . 1 1 70 70 THR N N 70 109.789 109.789 118.602 -8.813 25786 5032 1 12 . 1 1 70 70 THR HA H 70 4.721 4.721 4.413 0.308 25786 5033 1 12 . 1 1 70 70 THR C C 70 174.636 174.636 175.136 -0.500 25786 5034 1 12 . 1 1 70 70 THR CA C 70 59.377 59.377 62.262 -2.885 25786 5035 1 12 . 1 1 70 70 THR CB C 70 72.180 72.180 69.895 2.285 25786 5036 1 12 . 1 1 70 70 THR H H 70 8.163 8.163 9.276 -1.113 25786 5037 1 12 . 1 1 71 71 LEU N N 71 122.563 122.563 126.495 -3.932 25786 5038 1 12 . 1 1 71 71 LEU HA H 71 3.885 3.885 4.035 -0.150 25786 5039 1 12 . 1 1 71 71 LEU C C 71 178.632 178.632 178.296 0.336 25786 5040 1 12 . 1 1 71 71 LEU CA C 71 58.196 58.196 58.688 -0.492 25786 5041 1 12 . 1 1 71 71 LEU CB C 71 41.940 41.940 42.292 -0.352 25786 5042 1 12 . 1 1 71 71 LEU H H 71 8.825 8.825 8.769 0.056 25786 5043 1 12 . 1 1 72 72 ARG N N 72 115.949 115.949 117.745 -1.796 25786 5044 1 12 . 1 1 72 72 ARG HA H 72 3.876 3.876 4.383 -0.507 25786 5045 1 12 . 1 1 72 72 ARG C C 72 178.893 178.893 178.341 0.552 25786 5046 1 12 . 1 1 72 72 ARG CA C 72 59.147 59.147 58.214 0.933 25786 5047 1 12 . 1 1 72 72 ARG CB C 72 29.631 29.631 29.557 0.074 25786 5048 1 12 . 1 1 72 72 ARG H H 72 8.244 8.244 8.723 -0.479 25786 5049 1 12 . 1 1 73 73 GLU N N 73 117.665 117.665 120.417 -2.752 25786 5050 1 12 . 1 1 73 73 GLU HA H 73 3.951 3.951 4.058 -0.107 25786 5051 1 12 . 1 1 73 73 GLU C C 73 178.762 178.762 178.769 -0.007 25786 5052 1 12 . 1 1 73 73 GLU CA C 73 59.092 59.092 59.492 -0.400 25786 5053 1 12 . 1 1 73 73 GLU CB C 73 29.739 29.739 29.275 0.464 25786 5054 1 12 . 1 1 73 73 GLU H H 73 7.461 7.461 7.659 -0.198 25786 5055 1 12 . 1 1 74 74 LEU N N 74 117.724 117.724 118.392 -0.668 25786 5056 1 12 . 1 1 74 74 LEU HA H 74 3.898 3.898 4.339 -0.441 25786 5057 1 12 . 1 1 74 74 LEU C C 74 179.355 179.355 179.806 -0.451 25786 5058 1 12 . 1 1 74 74 LEU CA C 74 57.469 57.469 57.178 0.291 25786 5059 1 12 . 1 1 74 74 LEU CB C 74 41.619 41.619 41.824 -0.205 25786 5060 1 12 . 1 1 74 74 LEU H H 74 7.413 7.413 7.396 0.017 25786 5061 1 12 . 1 1 75 75 TYR N N 75 114.976 114.976 117.927 -2.951 25786 5062 1 12 . 1 1 75 75 TYR HA H 75 4.054 4.054 4.430 -0.376 25786 5063 1 12 . 1 1 75 75 TYR C C 75 176.656 176.656 176.744 -0.088 25786 5064 1 12 . 1 1 75 75 TYR CA C 75 60.638 60.638 59.605 1.033 25786 5065 1 12 . 1 1 75 75 TYR CB C 75 39.688 39.688 37.490 2.198 25786 5066 1 12 . 1 1 75 75 TYR H H 75 8.086 8.086 7.605 0.481 25786 5067 1 12 . 1 1 76 76 ALA N N 76 119.116 119.116 120.238 -1.122 25786 5068 1 12 . 1 1 76 76 ALA HA H 76 4.052 4.052 4.389 -0.337 25786 5069 1 12 . 1 1 76 76 ALA C C 76 178.156 178.156 177.219 0.937 25786 5070 1 12 . 1 1 76 76 ALA CA C 76 54.468 54.468 53.188 1.280 25786 5071 1 12 . 1 1 76 76 ALA CB C 76 18.535 18.535 19.896 -1.361 25786 5072 1 12 . 1 1 76 76 ALA H H 76 7.776 7.776 7.503 0.273 25786 5073 1 12 . 1 1 77 77 ALA N N 77 116.862 116.862 120.949 -4.087 25786 5074 1 12 . 1 1 77 77 ALA C C 77 173.737 173.737 174.663 -0.926 25786 5075 1 12 . 1 1 77 77 ALA CA C 77 49.713 49.713 49.638 0.075 25786 5076 1 12 . 1 1 77 77 ALA CB C 77 19.226 19.226 20.040 -0.814 25786 5077 1 12 . 1 1 77 77 ALA H H 77 6.706 6.706 7.699 -0.993 25786 5078 1 12 . 1 1 78 78 PRO HA H 78 5.018 5.018 4.825 0.193 25786 5079 1 12 . 1 1 78 78 PRO CA C 78 61.523 61.523 62.546 -1.023 25786 5080 1 12 . 1 1 78 78 PRO CB C 78 28.845 28.845 30.570 -1.725 25786 5081 1 12 . 1 1 79 79 THR N N 79 111.947 111.947 112.741 -0.794 25786 5082 1 12 . 1 1 79 79 THR HA H 79 4.396 4.396 4.705 -0.309 25786 5083 1 12 . 1 1 79 79 THR C C 79 173.000 173.000 174.426 -1.426 25786 5084 1 12 . 1 1 79 79 THR CA C 79 58.059 58.059 59.787 -1.728 25786 5085 1 12 . 1 1 79 79 THR CB C 79 72.247 72.247 72.382 -0.135 25786 5086 1 12 . 1 1 79 79 THR H H 79 7.664 7.664 7.191 0.473 25786 5087 1 12 . 1 1 80 80 LEU N N 80 123.227 123.227 124.139 -0.912 25786 5088 1 12 . 1 1 80 80 LEU HA H 80 3.747 3.747 3.955 -0.208 25786 5089 1 12 . 1 1 80 80 LEU C C 80 179.028 179.028 178.060 0.968 25786 5090 1 12 . 1 1 80 80 LEU CA C 80 58.209 58.209 57.910 0.299 25786 5091 1 12 . 1 1 80 80 LEU CB C 80 41.579 41.579 41.507 0.072 25786 5092 1 12 . 1 1 80 80 LEU H H 80 9.609 9.609 8.494 1.115 25786 5093 1 12 . 1 1 81 81 ALA N N 81 119.663 119.663 122.247 -2.584 25786 5094 1 12 . 1 1 81 81 ALA HA H 81 4.141 4.141 4.080 0.061 25786 5095 1 12 . 1 1 81 81 ALA C C 81 181.038 181.038 179.275 1.763 25786 5096 1 12 . 1 1 81 81 ALA CA C 81 54.876 54.876 55.120 -0.244 25786 5097 1 12 . 1 1 81 81 ALA CB C 81 18.428 18.428 18.241 0.187 25786 5098 1 12 . 1 1 81 81 ALA H H 81 8.831 8.831 8.093 0.738 25786 5099 1 12 . 1 1 82 82 ALA N N 82 122.181 122.181 120.724 1.457 25786 5100 1 12 . 1 1 82 82 ALA HA H 82 4.225 4.225 4.317 -0.092 25786 5101 1 12 . 1 1 82 82 ALA C C 82 181.868 181.868 179.764 2.104 25786 5102 1 12 . 1 1 82 82 ALA CA C 82 54.808 54.808 54.524 0.284 25786 5103 1 12 . 1 1 82 82 ALA CB C 82 19.088 19.088 18.549 0.539 25786 5104 1 12 . 1 1 82 82 ALA H H 82 8.272 8.272 7.746 0.526 25786 5105 1 12 . 1 1 83 83 TRP N N 83 123.399 123.399 120.017 3.382 25786 5106 1 12 . 1 1 83 83 TRP HA H 83 4.543 4.543 4.315 0.228 25786 5107 1 12 . 1 1 83 83 TRP C C 83 178.633 178.633 178.626 0.007 25786 5108 1 12 . 1 1 83 83 TRP CA C 83 59.562 59.562 58.491 1.071 25786 5109 1 12 . 1 1 83 83 TRP CB C 83 28.301 28.301 28.531 -0.230 25786 5110 1 12 . 1 1 83 83 TRP H H 83 9.378 9.378 8.294 1.083 25786 5111 1 12 . 1 1 84 84 ASN N N 84 118.250 118.250 117.722 0.528 25786 5112 1 12 . 1 1 84 84 ASN HA H 84 4.616 4.616 4.275 0.341 25786 5113 1 12 . 1 1 84 84 ASN C C 84 177.231 177.231 177.404 -0.173 25786 5114 1 12 . 1 1 84 84 ASN CA C 84 57.096 57.096 57.033 0.063 25786 5115 1 12 . 1 1 84 84 ASN CB C 84 39.229 39.229 38.267 0.962 25786 5116 1 12 . 1 1 84 84 ASN H H 84 9.136 9.136 8.912 0.224 25786 5117 1 12 . 1 1 85 85 GLN N N 85 116.261 116.261 118.499 -2.238 25786 5118 1 12 . 1 1 85 85 GLN HA H 85 4.011 4.011 4.115 -0.104 25786 5119 1 12 . 1 1 85 85 GLN C C 85 179.455 179.455 178.833 0.622 25786 5120 1 12 . 1 1 85 85 GLN CA C 85 58.748 58.748 58.382 0.366 25786 5121 1 12 . 1 1 85 85 GLN CB C 85 27.840 27.840 28.564 -0.724 25786 5122 1 12 . 1 1 85 85 GLN H H 85 7.511 7.511 7.575 -0.064 25786 5123 1 12 . 1 1 86 86 LEU N N 86 121.554 121.554 118.569 2.985 25786 5124 1 12 . 1 1 86 86 LEU HA H 86 4.041 4.041 4.068 -0.027 25786 5125 1 12 . 1 1 86 86 LEU C C 86 179.171 179.171 178.962 0.209 25786 5126 1 12 . 1 1 86 86 LEU CA C 86 57.804 57.804 57.354 0.450 25786 5127 1 12 . 1 1 86 86 LEU CB C 86 41.915 41.915 41.646 0.269 25786 5128 1 12 . 1 1 86 86 LEU H H 86 8.172 8.172 8.243 -0.071 25786 5129 1 12 . 1 1 87 87 MET N N 87 117.874 117.874 115.998 1.876 25786 5130 1 12 . 1 1 87 87 MET HA H 87 3.752 3.752 4.336 -0.584 25786 5131 1 12 . 1 1 87 87 MET C C 87 178.221 178.221 177.981 0.240 25786 5132 1 12 . 1 1 87 87 MET CA C 87 59.481 59.481 59.144 0.337 25786 5133 1 12 . 1 1 87 87 MET CB C 87 34.875 34.875 33.624 1.251 25786 5134 1 12 . 1 1 87 87 MET H H 87 8.197 8.197 7.831 0.366 25786 5135 1 12 . 1 1 88 88 LEU N N 88 117.598 117.598 120.244 -2.646 25786 5136 1 12 . 1 1 88 88 LEU HA H 88 4.054 4.054 4.481 -0.427 25786 5137 1 12 . 1 1 88 88 LEU C C 88 179.237 179.237 178.932 0.305 25786 5138 1 12 . 1 1 88 88 LEU CA C 88 57.076 57.076 57.384 -0.308 25786 5139 1 12 . 1 1 88 88 LEU CB C 88 42.395 42.395 42.614 -0.219 25786 5140 1 12 . 1 1 88 88 LEU H H 88 7.902 7.902 8.706 -0.804 25786 5141 1 12 . 1 1 89 89 SER N N 89 113.195 113.195 116.019 -2.824 25786 5142 1 12 . 1 1 89 89 SER HA H 89 4.038 4.038 4.128 -0.090 25786 5143 1 12 . 1 1 89 89 SER C C 89 175.090 175.090 176.713 -1.623 25786 5144 1 12 . 1 1 89 89 SER CA C 89 59.901 59.901 61.220 -1.319 25786 5145 1 12 . 1 1 89 89 SER CB C 89 63.834 63.834 62.892 0.942 25786 5146 1 12 . 1 1 89 89 SER H H 89 7.958 7.958 7.766 0.192 25786 5147 1 12 . 1 1 90 90 ARG N N 90 122.031 122.031 121.148 0.883 25786 5148 1 12 . 1 1 90 90 ARG HA H 90 4.701 4.701 4.054 0.647 25786 5149 1 12 . 1 1 90 90 ARG C C 90 175.695 175.695 175.769 -0.074 25786 5150 1 12 . 1 1 90 90 ARG CA C 90 53.905 53.905 57.781 -3.876 25786 5151 1 12 . 1 1 90 90 ARG CB C 90 29.631 29.631 30.652 -1.021 25786 5152 1 12 . 1 1 90 90 ARG H H 90 7.923 7.923 7.590 0.333 25786 5153 1 12 . 1 1 91 91 SER N N 91 117.191 117.191 111.737 5.454 25786 5154 1 12 . 1 1 91 91 SER C C 91 172.914 172.914 172.037 0.877 25786 5155 1 12 . 1 1 91 91 SER CA C 91 57.104 57.104 58.985 -1.881 25786 5156 1 12 . 1 1 91 91 SER CB C 91 63.437 63.437 62.167 1.270 25786 5157 1 12 . 1 1 91 91 SER H H 91 7.752 7.752 7.685 0.067 25786 5158 1 12 . 1 1 92 92 PRO HA H 92 4.420 4.420 4.470 -0.050 25786 5159 1 12 . 1 1 92 92 PRO CA C 92 63.414 63.414 63.637 -0.223 25786 5160 1 12 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.236 -0.341 25786 5161 1 13 . 1 1 15 15 ASN N N 15 119.857 119.857 117.606 2.251 25786 5162 1 13 . 1 1 15 15 ASN HA H 15 4.719 4.719 4.673 0.046 25786 5163 1 13 . 1 1 15 15 ASN C C 15 175.735 175.735 175.823 -0.088 25786 5164 1 13 . 1 1 15 15 ASN CA C 15 53.556 53.556 54.565 -1.009 25786 5165 1 13 . 1 1 15 15 ASN CB C 15 38.731 38.731 39.141 -0.410 25786 5166 1 13 . 1 1 15 15 ASN H H 15 8.425 8.425 8.593 -0.168 25786 5167 1 13 . 1 1 16 16 ARG N N 16 122.030 122.030 116.495 5.535 25786 5168 1 13 . 1 1 16 16 ARG HA H 16 4.211 4.211 4.477 -0.266 25786 5169 1 13 . 1 1 16 16 ARG C C 16 176.669 176.669 177.180 -0.511 25786 5170 1 13 . 1 1 16 16 ARG CA C 16 57.735 57.735 57.028 0.707 25786 5171 1 13 . 1 1 16 16 ARG CB C 16 30.224 30.224 30.514 -0.289 25786 5172 1 13 . 1 1 16 16 ARG H H 16 8.347 8.347 8.250 0.097 25786 5173 1 13 . 1 1 17 17 HIS N N 17 118.590 118.590 121.387 -2.797 25786 5174 1 13 . 1 1 17 17 HIS HA H 17 4.563 4.563 4.694 -0.131 25786 5175 1 13 . 1 1 17 17 HIS C C 17 176.284 176.284 176.803 -0.519 25786 5176 1 13 . 1 1 17 17 HIS CA C 17 58.394 58.394 58.169 0.225 25786 5177 1 13 . 1 1 17 17 HIS CB C 17 30.362 30.362 30.146 0.215 25786 5178 1 13 . 1 1 17 17 HIS H H 17 8.395 8.395 8.652 -0.257 25786 5179 1 13 . 1 1 18 18 ALA N N 18 122.047 122.047 123.236 -1.189 25786 5180 1 13 . 1 1 18 18 ALA HA H 18 4.182 4.182 4.359 -0.177 25786 5181 1 13 . 1 1 18 18 ALA C C 18 180.003 180.003 179.100 0.903 25786 5182 1 13 . 1 1 18 18 ALA CA C 18 54.294 54.294 54.536 -0.242 25786 5183 1 13 . 1 1 18 18 ALA CB C 18 18.849 18.849 18.036 0.813 25786 5184 1 13 . 1 1 18 18 ALA H H 18 8.436 8.436 8.294 0.142 25786 5185 1 13 . 1 1 19 19 ALA N N 19 122.607 122.607 122.203 0.404 25786 5186 1 13 . 1 1 19 19 ALA HA H 19 4.275 4.275 3.964 0.311 25786 5187 1 13 . 1 1 19 19 ALA C C 19 180.295 180.295 178.568 1.727 25786 5188 1 13 . 1 1 19 19 ALA CA C 19 55.040 55.040 54.678 0.362 25786 5189 1 13 . 1 1 19 19 ALA CB C 19 18.267 18.267 18.190 0.077 25786 5190 1 13 . 1 1 19 19 ALA H H 19 8.402 8.402 8.030 0.372 25786 5191 1 13 . 1 1 20 20 ASP N N 20 118.796 118.796 117.732 1.064 25786 5192 1 13 . 1 1 20 20 ASP HA H 20 4.837 4.837 4.844 -0.007 25786 5193 1 13 . 1 1 20 20 ASP C C 20 177.313 177.313 178.109 -0.796 25786 5194 1 13 . 1 1 20 20 ASP CA C 20 56.725 56.725 56.170 0.555 25786 5195 1 13 . 1 1 20 20 ASP CB C 20 40.189 40.189 40.944 -0.755 25786 5196 1 13 . 1 1 20 20 ASP H H 20 8.317 8.317 8.713 -0.396 25786 5197 1 13 . 1 1 21 21 TYR N N 21 120.958 120.958 120.466 0.492 25786 5198 1 13 . 1 1 21 21 TYR HA H 21 4.058 4.058 4.455 -0.397 25786 5199 1 13 . 1 1 21 21 TYR C C 21 176.282 176.282 177.319 -1.037 25786 5200 1 13 . 1 1 21 21 TYR CA C 21 61.892 61.892 60.709 1.183 25786 5201 1 13 . 1 1 21 21 TYR CB C 21 38.655 38.655 37.648 1.007 25786 5202 1 13 . 1 1 21 21 TYR H H 21 8.679 8.679 8.169 0.510 25786 5203 1 13 . 1 1 22 22 GLN N N 22 117.715 117.715 118.711 -0.996 25786 5204 1 13 . 1 1 22 22 GLN HA H 22 3.826 3.826 3.397 0.429 25786 5205 1 13 . 1 1 22 22 GLN C C 22 178.197 178.197 177.865 0.332 25786 5206 1 13 . 1 1 22 22 GLN CA C 22 59.110 59.110 59.378 -0.268 25786 5207 1 13 . 1 1 22 22 GLN CB C 22 27.430 27.430 27.632 -0.202 25786 5208 1 13 . 1 1 22 22 GLN H H 22 8.236 8.236 7.715 0.521 25786 5209 1 13 . 1 1 23 23 GLN N N 23 118.526 118.526 118.448 0.078 25786 5210 1 13 . 1 1 23 23 GLN HA H 23 4.100 4.100 4.026 0.074 25786 5211 1 13 . 1 1 23 23 GLN C C 23 177.521 177.521 178.570 -1.049 25786 5212 1 13 . 1 1 23 23 GLN CA C 23 58.915 58.915 58.672 0.243 25786 5213 1 13 . 1 1 23 23 GLN CB C 23 29.032 29.032 28.156 0.876 25786 5214 1 13 . 1 1 23 23 GLN H H 23 8.003 8.003 7.663 0.340 25786 5215 1 13 . 1 1 24 24 LEU N N 24 121.914 121.914 121.555 0.359 25786 5216 1 13 . 1 1 24 24 LEU HA H 24 3.444 3.444 3.335 0.109 25786 5217 1 13 . 1 1 24 24 LEU C C 24 176.882 176.882 178.132 -1.250 25786 5218 1 13 . 1 1 24 24 LEU CA C 24 58.115 58.115 57.836 0.280 25786 5219 1 13 . 1 1 24 24 LEU CB C 24 41.704 41.704 41.663 0.041 25786 5220 1 13 . 1 1 24 24 LEU H H 24 8.031 8.031 7.527 0.504 25786 5221 1 13 . 1 1 25 25 ARG N N 25 116.645 116.645 118.980 -2.335 25786 5222 1 13 . 1 1 25 25 ARG HA H 25 3.395 3.395 3.788 -0.393 25786 5223 1 13 . 1 1 25 25 ARG C C 25 177.469 177.469 178.287 -0.818 25786 5224 1 13 . 1 1 25 25 ARG CA C 25 60.246 60.246 60.003 0.243 25786 5225 1 13 . 1 1 25 25 ARG CB C 25 29.925 29.925 30.055 -0.130 25786 5226 1 13 . 1 1 25 25 ARG H H 25 7.981 7.981 8.563 -0.582 25786 5227 1 13 . 1 1 26 26 GLU N N 26 115.943 115.943 118.362 -2.419 25786 5228 1 13 . 1 1 26 26 GLU HA H 26 3.832 3.832 4.003 -0.171 25786 5229 1 13 . 1 1 26 26 GLU C C 26 179.682 179.682 179.161 0.521 25786 5230 1 13 . 1 1 26 26 GLU CA C 26 59.517 59.517 59.497 0.020 25786 5231 1 13 . 1 1 26 26 GLU CB C 26 29.439 29.439 29.165 0.274 25786 5232 1 13 . 1 1 26 26 GLU H H 26 8.160 8.160 8.007 0.153 25786 5233 1 13 . 1 1 27 27 ARG N N 27 118.766 118.766 120.864 -2.098 25786 5234 1 13 . 1 1 27 27 ARG HA H 27 4.144 4.144 4.367 -0.223 25786 5235 1 13 . 1 1 27 27 ARG C C 27 179.241 179.241 178.380 0.861 25786 5236 1 13 . 1 1 27 27 ARG CA C 27 58.855 58.855 58.819 0.036 25786 5237 1 13 . 1 1 27 27 ARG CB C 27 29.996 29.996 30.169 -0.173 25786 5238 1 13 . 1 1 27 27 ARG H H 27 8.283 8.283 7.759 0.524 25786 5239 1 13 . 1 1 28 28 LEU N N 28 122.077 122.077 120.676 1.401 25786 5240 1 13 . 1 1 28 28 LEU HA H 28 4.106 4.106 4.021 0.085 25786 5241 1 13 . 1 1 28 28 LEU C C 28 178.766 178.766 178.915 -0.149 25786 5242 1 13 . 1 1 28 28 LEU CA C 28 58.558 58.558 58.019 0.539 25786 5243 1 13 . 1 1 28 28 LEU CB C 28 42.514 42.514 41.731 0.783 25786 5244 1 13 . 1 1 28 28 LEU H H 28 8.389 8.389 8.151 0.238 25786 5245 1 13 . 1 1 29 29 ILE N N 29 117.586 117.586 119.295 -1.709 25786 5246 1 13 . 1 1 29 29 ILE HA H 29 3.339 3.339 3.526 -0.187 25786 5247 1 13 . 1 1 29 29 ILE C C 29 177.927 177.927 177.854 0.073 25786 5248 1 13 . 1 1 29 29 ILE CA C 29 66.203 66.203 65.960 0.243 25786 5249 1 13 . 1 1 29 29 ILE CB C 29 37.823 37.823 37.596 0.228 25786 5250 1 13 . 1 1 29 29 ILE H H 29 7.914 7.914 8.212 -0.298 25786 5251 1 13 . 1 1 30 30 GLN N N 30 116.395 116.395 118.119 -1.724 25786 5252 1 13 . 1 1 30 30 GLN HA H 30 4.157 4.157 4.054 0.103 25786 5253 1 13 . 1 1 30 30 GLN C C 30 179.400 179.400 179.252 0.148 25786 5254 1 13 . 1 1 30 30 GLN CA C 30 58.410 58.410 58.836 -0.425 25786 5255 1 13 . 1 1 30 30 GLN CB C 30 28.804 28.804 28.779 0.025 25786 5256 1 13 . 1 1 30 30 GLN H H 30 7.287 7.287 7.651 -0.364 25786 5257 1 13 . 1 1 31 31 GLU N N 31 120.336 120.336 121.201 -0.865 25786 5258 1 13 . 1 1 31 31 GLU HA H 31 4.023 4.023 4.169 -0.146 25786 5259 1 13 . 1 1 31 31 GLU C C 31 178.395 178.395 178.723 -0.328 25786 5260 1 13 . 1 1 31 31 GLU CA C 31 59.377 59.377 58.964 0.413 25786 5261 1 13 . 1 1 31 31 GLU CB C 31 30.436 30.436 29.859 0.577 25786 5262 1 13 . 1 1 31 31 GLU H H 31 8.814 8.814 8.571 0.243 25786 5263 1 13 . 1 1 32 32 LEU N N 32 115.139 115.139 116.919 -1.780 25786 5264 1 13 . 1 1 32 32 LEU HA H 32 4.377 4.377 4.516 -0.139 25786 5265 1 13 . 1 1 32 32 LEU C C 32 176.033 176.033 176.652 -0.619 25786 5266 1 13 . 1 1 32 32 LEU CA C 32 54.101 54.101 54.282 -0.181 25786 5267 1 13 . 1 1 32 32 LEU CB C 32 41.354 41.354 42.100 -0.746 25786 5268 1 13 . 1 1 32 32 LEU H H 32 8.109 8.109 7.971 0.138 25786 5269 1 13 . 1 1 33 33 ASN N N 33 116.751 116.751 115.841 0.910 25786 5270 1 13 . 1 1 33 33 ASN HA H 33 4.453 4.453 4.421 0.032 25786 5271 1 13 . 1 1 33 33 ASN C C 33 174.288 174.288 174.520 -0.232 25786 5272 1 13 . 1 1 33 33 ASN CA C 33 54.024 54.024 53.949 0.075 25786 5273 1 13 . 1 1 33 33 ASN CB C 33 36.929 36.929 37.584 -0.655 25786 5274 1 13 . 1 1 33 33 ASN H H 33 7.796 7.796 7.782 0.014 25786 5275 1 13 . 1 1 34 34 LEU N N 34 117.139 117.139 117.526 -0.387 25786 5276 1 13 . 1 1 34 34 LEU HA H 34 4.787 4.787 4.756 0.031 25786 5277 1 13 . 1 1 34 34 LEU C C 34 176.521 176.521 176.160 0.361 25786 5278 1 13 . 1 1 34 34 LEU CA C 34 53.079 53.079 53.410 -0.331 25786 5279 1 13 . 1 1 34 34 LEU CB C 34 44.673 44.673 45.500 -0.827 25786 5280 1 13 . 1 1 34 34 LEU H H 34 7.728 7.728 8.237 -0.509 25786 5281 1 13 . 1 1 35 35 THR N N 35 110.751 110.751 112.526 -1.775 25786 5282 1 13 . 1 1 35 35 THR HA H 35 4.803 4.803 4.855 -0.052 25786 5283 1 13 . 1 1 35 35 THR C C 35 174.438 174.438 173.809 0.629 25786 5284 1 13 . 1 1 35 35 THR CA C 35 59.445 59.445 59.159 0.286 25786 5285 1 13 . 1 1 35 35 THR CB C 35 68.651 68.651 69.240 -0.589 25786 5286 1 13 . 1 1 35 35 THR H H 35 8.001 8.001 8.786 -0.785 25786 5287 1 13 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.242 -0.165 25786 5288 1 13 . 1 1 36 36 PRO CA C 36 65.645 65.645 65.226 0.419 25786 5289 1 13 . 1 1 36 36 PRO CB C 36 31.632 31.632 32.015 -0.383 25786 5290 1 13 . 1 1 37 37 GLN N N 37 112.874 112.874 112.607 0.267 25786 5291 1 13 . 1 1 37 37 GLN HA H 37 4.105 4.105 4.300 -0.195 25786 5292 1 13 . 1 1 37 37 GLN C C 37 176.960 176.960 176.504 0.456 25786 5293 1 13 . 1 1 37 37 GLN CA C 37 57.891 57.891 56.198 1.693 25786 5294 1 13 . 1 1 37 37 GLN CB C 37 27.902 27.902 28.471 -0.569 25786 5295 1 13 . 1 1 37 37 GLN H H 37 8.005 8.005 8.238 -0.233 25786 5296 1 13 . 1 1 38 38 GLN N N 38 116.477 116.477 119.100 -2.623 25786 5297 1 13 . 1 1 38 38 GLN HA H 38 4.187 4.187 4.350 -0.163 25786 5298 1 13 . 1 1 38 38 GLN C C 38 175.508 175.508 176.511 -1.003 25786 5299 1 13 . 1 1 38 38 GLN CA C 38 56.398 56.398 56.737 -0.339 25786 5300 1 13 . 1 1 38 38 GLN CB C 38 31.126 31.126 31.107 0.019 25786 5301 1 13 . 1 1 38 38 GLN H H 38 7.663 7.663 7.723 -0.060 25786 5302 1 13 . 1 1 39 39 LEU N N 39 120.726 120.726 122.365 -1.639 25786 5303 1 13 . 1 1 39 39 LEU HA H 39 4.371 4.371 4.470 -0.099 25786 5304 1 13 . 1 1 39 39 LEU C C 39 174.277 174.277 175.336 -1.059 25786 5305 1 13 . 1 1 39 39 LEU CA C 39 53.959 53.959 54.081 -0.122 25786 5306 1 13 . 1 1 39 39 LEU CB C 39 41.610 41.610 40.409 1.201 25786 5307 1 13 . 1 1 39 39 LEU H H 39 7.286 7.286 8.063 -0.777 25786 5308 1 13 . 1 1 40 40 HIS N N 40 124.680 124.680 125.078 -0.398 25786 5309 1 13 . 1 1 40 40 HIS HA H 40 4.808 4.808 4.604 0.204 25786 5310 1 13 . 1 1 40 40 HIS C C 40 176.727 176.727 176.362 0.365 25786 5311 1 13 . 1 1 40 40 HIS CA C 40 54.762 54.762 56.140 -1.378 25786 5312 1 13 . 1 1 40 40 HIS CB C 40 31.521 31.521 31.927 -0.406 25786 5313 1 13 . 1 1 40 40 HIS H H 40 8.158 8.158 7.886 0.272 25786 5314 1 13 . 1 1 41 41 GLU HA H 41 4.029 4.029 3.910 0.119 25786 5315 1 13 . 1 1 42 42 GLU N N 42 113.813 113.813 118.300 -4.487 25786 5316 1 13 . 1 1 42 42 GLU HA H 42 4.547 4.547 4.277 0.270 25786 5317 1 13 . 1 1 42 42 GLU C C 42 176.680 176.680 175.895 0.785 25786 5318 1 13 . 1 1 42 42 GLU CA C 42 55.313 55.313 54.795 0.518 25786 5319 1 13 . 1 1 42 42 GLU CB C 42 29.165 29.165 28.600 0.565 25786 5320 1 13 . 1 1 42 42 GLU H H 42 8.808 8.808 7.144 1.664 25786 5321 1 13 . 1 1 43 43 SER N N 43 118.066 118.066 116.687 1.379 25786 5322 1 13 . 1 1 43 43 SER HA H 43 4.088 4.088 4.452 -0.364 25786 5323 1 13 . 1 1 43 43 SER C C 43 173.663 173.663 173.632 0.031 25786 5324 1 13 . 1 1 43 43 SER CA C 43 60.156 60.156 58.487 1.669 25786 5325 1 13 . 1 1 43 43 SER CB C 43 62.827 62.827 64.151 -1.324 25786 5326 1 13 . 1 1 43 43 SER H H 43 7.485 7.485 7.717 -0.232 25786 5327 1 13 . 1 1 44 44 ASN N N 44 123.218 123.218 123.055 0.163 25786 5328 1 13 . 1 1 44 44 ASN HA H 44 4.392 4.392 4.779 -0.387 25786 5329 1 13 . 1 1 44 44 ASN C C 44 176.926 176.926 176.363 0.563 25786 5330 1 13 . 1 1 44 44 ASN CA C 44 53.987 53.987 53.842 0.145 25786 5331 1 13 . 1 1 44 44 ASN CB C 44 38.433 38.433 38.722 -0.289 25786 5332 1 13 . 1 1 44 44 ASN H H 44 8.811 8.811 8.747 0.064 25786 5333 1 13 . 1 1 45 45 LEU N N 45 128.735 128.735 126.370 2.365 25786 5334 1 13 . 1 1 45 45 LEU HA H 45 3.722 3.722 4.003 -0.281 25786 5335 1 13 . 1 1 45 45 LEU C C 45 178.143 178.143 178.496 -0.353 25786 5336 1 13 . 1 1 45 45 LEU CA C 45 57.149 57.149 57.455 -0.305 25786 5337 1 13 . 1 1 45 45 LEU CB C 45 42.250 42.250 41.872 0.378 25786 5338 1 13 . 1 1 45 45 LEU H H 45 9.385 9.385 8.489 0.896 25786 5339 1 13 . 1 1 46 46 ILE N N 46 119.379 119.379 120.123 -0.744 25786 5340 1 13 . 1 1 46 46 ILE HA H 46 4.187 4.187 4.197 -0.010 25786 5341 1 13 . 1 1 46 46 ILE C C 46 180.926 180.926 179.330 1.596 25786 5342 1 13 . 1 1 46 46 ILE CA C 46 63.814 63.814 64.586 -0.772 25786 5343 1 13 . 1 1 46 46 ILE CB C 46 36.709 36.709 37.845 -1.136 25786 5344 1 13 . 1 1 46 46 ILE H H 46 7.659 7.659 7.647 0.012 25786 5345 1 13 . 1 1 47 47 GLN N N 47 121.737 121.737 118.370 3.367 25786 5346 1 13 . 1 1 47 47 GLN HA H 47 3.989 3.989 4.197 -0.208 25786 5347 1 13 . 1 1 47 47 GLN C C 47 177.739 177.739 176.812 0.927 25786 5348 1 13 . 1 1 47 47 GLN CA C 47 58.033 58.033 57.962 0.071 25786 5349 1 13 . 1 1 47 47 GLN CB C 47 27.985 27.985 28.223 -0.238 25786 5350 1 13 . 1 1 47 47 GLN H H 47 8.161 8.161 8.841 -0.680 25786 5351 1 13 . 1 1 48 48 ALA N N 48 117.777 117.777 120.733 -2.956 25786 5352 1 13 . 1 1 48 48 ALA HA H 48 4.260 4.260 4.500 -0.240 25786 5353 1 13 . 1 1 48 48 ALA C C 48 176.582 176.582 177.606 -1.024 25786 5354 1 13 . 1 1 48 48 ALA CA C 48 52.710 52.710 52.456 0.254 25786 5355 1 13 . 1 1 48 48 ALA CB C 48 18.601 18.601 20.427 -1.826 25786 5356 1 13 . 1 1 48 48 ALA H H 48 7.448 7.448 7.211 0.237 25786 5357 1 13 . 1 1 49 49 GLY N N 49 102.932 102.932 106.337 -3.405 25786 5358 1 13 . 1 1 49 49 GLY C C 49 174.451 174.451 172.269 2.182 25786 5359 1 13 . 1 1 49 49 GLY CA C 49 44.967 44.967 45.642 -0.676 25786 5360 1 13 . 1 1 49 49 GLY H H 49 7.445 7.445 8.366 -0.921 25786 5361 1 13 . 1 1 50 50 LEU N N 50 123.058 123.058 122.413 0.645 25786 5362 1 13 . 1 1 50 50 LEU HA H 50 4.257 4.257 4.908 -0.651 25786 5363 1 13 . 1 1 50 50 LEU C C 50 173.460 173.460 174.502 -1.042 25786 5364 1 13 . 1 1 50 50 LEU CA C 50 55.909 55.909 54.372 1.537 25786 5365 1 13 . 1 1 50 50 LEU CB C 50 41.454 41.454 44.923 -3.469 25786 5366 1 13 . 1 1 50 50 LEU H H 50 8.545 8.545 7.368 1.177 25786 5367 1 13 . 1 1 54 54 ARG N N 54 121.407 121.407 121.840 -0.433 25786 5368 1 13 . 1 1 54 54 ARG HA H 54 4.088 4.088 4.010 0.078 25786 5369 1 13 . 1 1 54 54 ARG C C 54 179.647 179.647 178.391 1.256 25786 5370 1 13 . 1 1 54 54 ARG CA C 54 59.615 59.615 59.338 0.277 25786 5371 1 13 . 1 1 54 54 ARG CB C 54 30.633 30.633 30.779 -0.146 25786 5372 1 13 . 1 1 54 54 ARG H H 54 8.412 8.412 8.545 -0.133 25786 5373 1 13 . 1 1 55 55 LEU N N 55 121.118 121.118 120.858 0.260 25786 5374 1 13 . 1 1 55 55 LEU HA H 55 4.332 4.332 4.524 -0.192 25786 5375 1 13 . 1 1 55 55 LEU C C 55 178.416 178.416 178.257 0.159 25786 5376 1 13 . 1 1 55 55 LEU CA C 55 59.035 59.035 58.433 0.602 25786 5377 1 13 . 1 1 55 55 LEU CB C 55 41.718 41.718 42.309 -0.591 25786 5378 1 13 . 1 1 55 55 LEU H H 55 9.050 9.050 8.729 0.321 25786 5379 1 13 . 1 1 56 56 MET N N 56 117.969 117.969 118.415 -0.446 25786 5380 1 13 . 1 1 56 56 MET HA H 56 4.284 4.284 4.045 0.239 25786 5381 1 13 . 1 1 56 56 MET C C 56 178.301 178.301 178.333 -0.032 25786 5382 1 13 . 1 1 56 56 MET CA C 56 57.927 57.927 58.966 -1.039 25786 5383 1 13 . 1 1 56 56 MET CB C 56 31.317 31.317 32.044 -0.727 25786 5384 1 13 . 1 1 56 56 MET H H 56 7.875 7.875 8.249 -0.374 25786 5385 1 13 . 1 1 57 57 ARG N N 57 119.532 119.532 118.211 1.321 25786 5386 1 13 . 1 1 57 57 ARG HA H 57 4.096 4.096 4.052 0.044 25786 5387 1 13 . 1 1 57 57 ARG C C 57 180.458 180.458 178.684 1.774 25786 5388 1 13 . 1 1 57 57 ARG CA C 57 59.770 59.770 59.758 0.012 25786 5389 1 13 . 1 1 57 57 ARG CB C 57 29.520 29.520 29.806 -0.286 25786 5390 1 13 . 1 1 57 57 ARG H H 57 7.609 7.609 8.258 -0.649 25786 5391 1 13 . 1 1 58 58 TRP N N 58 121.820 121.820 120.810 1.010 25786 5392 1 13 . 1 1 58 58 TRP HA H 58 4.465 4.465 4.448 0.017 25786 5393 1 13 . 1 1 58 58 TRP C C 58 177.973 177.973 178.518 -0.545 25786 5394 1 13 . 1 1 58 58 TRP CA C 58 61.063 61.063 59.265 1.798 25786 5395 1 13 . 1 1 58 58 TRP CB C 58 28.348 28.348 29.512 -1.164 25786 5396 1 13 . 1 1 58 58 TRP H H 58 8.207 8.207 7.440 0.767 25786 5397 1 13 . 1 1 59 59 LEU N N 59 121.654 121.654 121.398 0.256 25786 5398 1 13 . 1 1 59 59 LEU HA H 59 4.274 4.274 4.214 0.060 25786 5399 1 13 . 1 1 59 59 LEU C C 59 178.823 178.823 178.034 0.789 25786 5400 1 13 . 1 1 59 59 LEU CA C 59 59.044 59.044 57.664 1.380 25786 5401 1 13 . 1 1 59 59 LEU CB C 59 40.851 40.851 41.001 -0.150 25786 5402 1 13 . 1 1 59 59 LEU H H 59 8.599 8.599 8.684 -0.085 25786 5403 1 13 . 1 1 60 60 HIS N N 60 116.952 116.952 119.166 -2.214 25786 5404 1 13 . 1 1 60 60 HIS HA H 60 4.389 4.389 4.220 0.169 25786 5405 1 13 . 1 1 60 60 HIS C C 60 177.635 177.635 177.152 0.483 25786 5406 1 13 . 1 1 60 60 HIS CA C 60 59.755 59.755 60.604 -0.849 25786 5407 1 13 . 1 1 60 60 HIS CB C 60 30.083 30.083 30.198 -0.115 25786 5408 1 13 . 1 1 60 60 HIS H H 60 7.909 7.909 8.554 -0.645 25786 5409 1 13 . 1 1 61 61 TRP N N 61 123.194 123.194 121.793 1.401 25786 5410 1 13 . 1 1 61 61 TRP HA H 61 4.032 4.032 4.189 -0.157 25786 5411 1 13 . 1 1 61 61 TRP C C 61 179.298 179.298 178.632 0.666 25786 5412 1 13 . 1 1 61 61 TRP CA C 61 62.541 62.541 61.466 1.075 25786 5413 1 13 . 1 1 61 61 TRP CB C 61 28.839 28.839 29.000 -0.161 25786 5414 1 13 . 1 1 61 61 TRP H H 61 8.142 8.142 8.012 0.130 25786 5415 1 13 . 1 1 62 62 PHE N N 62 120.038 120.038 119.222 0.816 25786 5416 1 13 . 1 1 62 62 PHE HA H 62 4.205 4.205 3.913 0.292 25786 5417 1 13 . 1 1 62 62 PHE C C 62 179.080 179.080 178.446 0.634 25786 5418 1 13 . 1 1 62 62 PHE CA C 62 63.629 63.629 61.743 1.886 25786 5419 1 13 . 1 1 62 62 PHE CB C 62 38.664 38.664 38.174 0.490 25786 5420 1 13 . 1 1 62 62 PHE H H 62 9.447 9.447 8.607 0.840 25786 5421 1 13 . 1 1 63 63 ARG N N 63 118.560 118.560 119.051 -0.491 25786 5422 1 13 . 1 1 63 63 ARG HA H 63 4.258 4.258 4.372 -0.114 25786 5423 1 13 . 1 1 63 63 ARG C C 63 181.328 181.328 179.307 2.021 25786 5424 1 13 . 1 1 63 63 ARG CA C 63 59.257 59.257 58.973 0.284 25786 5425 1 13 . 1 1 63 63 ARG CB C 63 29.697 29.697 30.067 -0.370 25786 5426 1 13 . 1 1 63 63 ARG H H 63 8.665 8.665 8.655 0.010 25786 5427 1 13 . 1 1 64 64 LYS N N 64 122.759 122.759 119.188 3.571 25786 5428 1 13 . 1 1 64 64 LYS HA H 64 4.019 4.019 4.088 -0.069 25786 5429 1 13 . 1 1 64 64 LYS C C 64 177.595 177.595 176.665 0.930 25786 5430 1 13 . 1 1 64 64 LYS CA C 64 58.651 58.651 57.986 0.665 25786 5431 1 13 . 1 1 64 64 LYS CB C 64 31.510 31.510 32.106 -0.596 25786 5432 1 13 . 1 1 64 64 LYS H H 64 8.690 8.690 7.981 0.709 25786 5433 1 13 . 1 1 65 65 ASN N N 65 115.681 115.681 115.490 0.191 25786 5434 1 13 . 1 1 65 65 ASN HA H 65 4.532 4.532 4.756 -0.224 25786 5435 1 13 . 1 1 65 65 ASN C C 65 173.405 173.405 174.959 -1.554 25786 5436 1 13 . 1 1 65 65 ASN CA C 65 53.685 53.685 52.122 1.563 25786 5437 1 13 . 1 1 65 65 ASN CB C 65 39.038 39.038 38.874 0.164 25786 5438 1 13 . 1 1 65 65 ASN H H 65 7.246 7.246 7.795 -0.549 25786 5439 1 13 . 1 1 66 66 GLY N N 66 105.186 105.186 106.182 -0.996 25786 5440 1 13 . 1 1 66 66 GLY C C 66 173.869 173.869 173.568 0.301 25786 5441 1 13 . 1 1 66 66 GLY CA C 66 45.539 45.539 44.871 0.668 25786 5442 1 13 . 1 1 66 66 GLY H H 66 7.603 7.603 7.831 -0.228 25786 5443 1 13 . 1 1 67 67 TYR N N 67 119.699 119.699 121.159 -1.460 25786 5444 1 13 . 1 1 67 67 TYR HA H 67 4.542 4.542 4.462 0.080 25786 5445 1 13 . 1 1 67 67 TYR C C 67 175.838 175.838 176.181 -0.343 25786 5446 1 13 . 1 1 67 67 TYR CA C 67 57.858 57.858 58.111 -0.253 25786 5447 1 13 . 1 1 67 67 TYR CB C 67 38.564 38.564 38.245 0.319 25786 5448 1 13 . 1 1 67 67 TYR H H 67 8.248 8.248 7.936 0.312 25786 5449 1 13 . 1 1 68 68 ARG N N 68 125.588 125.588 126.977 -1.389 25786 5450 1 13 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.423 -0.034 25786 5451 1 13 . 1 1 68 68 ARG C C 68 174.479 174.479 175.051 -0.572 25786 5452 1 13 . 1 1 68 68 ARG CA C 68 55.649 55.649 55.587 0.062 25786 5453 1 13 . 1 1 68 68 ARG CB C 68 28.357 28.357 28.417 -0.060 25786 5454 1 13 . 1 1 68 68 ARG H H 68 8.550 8.550 9.004 -0.454 25786 5455 1 13 . 1 1 69 69 LEU N N 69 122.034 122.034 121.540 0.494 25786 5456 1 13 . 1 1 69 69 LEU HA H 69 4.711 4.711 4.566 0.145 25786 5457 1 13 . 1 1 69 69 LEU C C 69 175.630 175.630 176.021 -0.391 25786 5458 1 13 . 1 1 69 69 LEU CA C 69 53.367 53.367 53.842 -0.475 25786 5459 1 13 . 1 1 69 69 LEU CB C 69 44.286 44.286 44.630 -0.344 25786 5460 1 13 . 1 1 69 69 LEU H H 69 7.421 7.421 7.830 -0.409 25786 5461 1 13 . 1 1 70 70 THR N N 70 109.789 109.789 116.333 -6.544 25786 5462 1 13 . 1 1 70 70 THR HA H 70 4.721 4.721 4.427 0.294 25786 5463 1 13 . 1 1 70 70 THR C C 70 174.636 174.636 174.648 -0.012 25786 5464 1 13 . 1 1 70 70 THR CA C 70 59.377 59.377 61.333 -1.956 25786 5465 1 13 . 1 1 70 70 THR CB C 70 72.180 72.180 70.138 2.042 25786 5466 1 13 . 1 1 70 70 THR H H 70 8.163 8.163 8.199 -0.036 25786 5467 1 13 . 1 1 71 71 LEU N N 71 122.563 122.563 126.031 -3.468 25786 5468 1 13 . 1 1 71 71 LEU HA H 71 3.885 3.885 3.986 -0.101 25786 5469 1 13 . 1 1 71 71 LEU C C 71 178.632 178.632 177.943 0.689 25786 5470 1 13 . 1 1 71 71 LEU CA C 71 58.196 58.196 57.559 0.638 25786 5471 1 13 . 1 1 71 71 LEU CB C 71 41.940 41.940 42.285 -0.345 25786 5472 1 13 . 1 1 71 71 LEU H H 71 8.825 8.825 8.740 0.085 25786 5473 1 13 . 1 1 72 72 ARG N N 72 115.949 115.949 118.784 -2.835 25786 5474 1 13 . 1 1 72 72 ARG HA H 72 3.876 3.876 4.082 -0.206 25786 5475 1 13 . 1 1 72 72 ARG C C 72 178.893 178.893 178.028 0.865 25786 5476 1 13 . 1 1 72 72 ARG CA C 72 59.147 59.147 59.640 -0.493 25786 5477 1 13 . 1 1 72 72 ARG CB C 72 29.631 29.631 29.725 -0.094 25786 5478 1 13 . 1 1 72 72 ARG H H 72 8.244 8.244 8.605 -0.361 25786 5479 1 13 . 1 1 73 73 GLU N N 73 117.665 117.665 118.551 -0.886 25786 5480 1 13 . 1 1 73 73 GLU HA H 73 3.951 3.951 4.021 -0.070 25786 5481 1 13 . 1 1 73 73 GLU C C 73 178.762 178.762 179.073 -0.311 25786 5482 1 13 . 1 1 73 73 GLU CA C 73 59.092 59.092 59.118 -0.026 25786 5483 1 13 . 1 1 73 73 GLU CB C 73 29.739 29.739 28.754 0.985 25786 5484 1 13 . 1 1 73 73 GLU H H 73 7.461 7.461 7.611 -0.150 25786 5485 1 13 . 1 1 74 74 LEU N N 74 117.724 117.724 118.348 -0.624 25786 5486 1 13 . 1 1 74 74 LEU HA H 74 3.898 3.898 4.410 -0.512 25786 5487 1 13 . 1 1 74 74 LEU C C 74 179.355 179.355 179.395 -0.040 25786 5488 1 13 . 1 1 74 74 LEU CA C 74 57.469 57.469 57.569 -0.100 25786 5489 1 13 . 1 1 74 74 LEU CB C 74 41.619 41.619 41.413 0.206 25786 5490 1 13 . 1 1 74 74 LEU H H 74 7.413 7.413 7.527 -0.114 25786 5491 1 13 . 1 1 75 75 TYR N N 75 114.976 114.976 117.421 -2.445 25786 5492 1 13 . 1 1 75 75 TYR HA H 75 4.054 4.054 4.419 -0.365 25786 5493 1 13 . 1 1 75 75 TYR C C 75 176.656 176.656 176.744 -0.088 25786 5494 1 13 . 1 1 75 75 TYR CA C 75 60.638 60.638 59.634 1.004 25786 5495 1 13 . 1 1 75 75 TYR CB C 75 39.688 39.688 37.821 1.867 25786 5496 1 13 . 1 1 75 75 TYR H H 75 8.086 8.086 7.286 0.800 25786 5497 1 13 . 1 1 76 76 ALA N N 76 119.116 119.116 121.016 -1.900 25786 5498 1 13 . 1 1 76 76 ALA HA H 76 4.052 4.052 4.329 -0.277 25786 5499 1 13 . 1 1 76 76 ALA C C 76 178.156 178.156 177.217 0.939 25786 5500 1 13 . 1 1 76 76 ALA CA C 76 54.468 54.468 53.398 1.070 25786 5501 1 13 . 1 1 76 76 ALA CB C 76 18.535 18.535 19.659 -1.124 25786 5502 1 13 . 1 1 76 76 ALA H H 76 7.776 7.776 7.948 -0.172 25786 5503 1 13 . 1 1 77 77 ALA N N 77 116.862 116.862 120.762 -3.900 25786 5504 1 13 . 1 1 77 77 ALA C C 77 173.737 173.737 174.481 -0.744 25786 5505 1 13 . 1 1 77 77 ALA CA C 77 49.713 49.713 49.566 0.146 25786 5506 1 13 . 1 1 77 77 ALA CB C 77 19.226 19.226 19.795 -0.569 25786 5507 1 13 . 1 1 77 77 ALA H H 77 6.706 6.706 8.011 -1.305 25786 5508 1 13 . 1 1 78 78 PRO HA H 78 5.018 5.018 5.155 -0.137 25786 5509 1 13 . 1 1 78 78 PRO CA C 78 61.523 61.523 62.452 -0.929 25786 5510 1 13 . 1 1 78 78 PRO CB C 78 28.845 28.845 30.366 -1.521 25786 5511 1 13 . 1 1 79 79 THR N N 79 111.947 111.947 113.007 -1.060 25786 5512 1 13 . 1 1 79 79 THR HA H 79 4.396 4.396 4.376 0.020 25786 5513 1 13 . 1 1 79 79 THR C C 79 173.000 173.000 174.459 -1.459 25786 5514 1 13 . 1 1 79 79 THR CA C 79 58.059 58.059 59.742 -1.683 25786 5515 1 13 . 1 1 79 79 THR CB C 79 72.247 72.247 72.240 0.007 25786 5516 1 13 . 1 1 79 79 THR H H 79 7.664 7.664 7.159 0.505 25786 5517 1 13 . 1 1 80 80 LEU N N 80 123.227 123.227 124.412 -1.185 25786 5518 1 13 . 1 1 80 80 LEU HA H 80 3.747 3.747 3.610 0.137 25786 5519 1 13 . 1 1 80 80 LEU C C 80 179.028 179.028 177.961 1.067 25786 5520 1 13 . 1 1 80 80 LEU CA C 80 58.209 58.209 58.671 -0.462 25786 5521 1 13 . 1 1 80 80 LEU CB C 80 41.579 41.579 41.696 -0.117 25786 5522 1 13 . 1 1 80 80 LEU H H 80 9.609 9.609 8.753 0.856 25786 5523 1 13 . 1 1 81 81 ALA N N 81 119.663 119.663 120.357 -0.694 25786 5524 1 13 . 1 1 81 81 ALA HA H 81 4.141 4.141 3.900 0.241 25786 5525 1 13 . 1 1 81 81 ALA C C 81 181.038 181.038 179.146 1.892 25786 5526 1 13 . 1 1 81 81 ALA CA C 81 54.876 54.876 54.469 0.407 25786 5527 1 13 . 1 1 81 81 ALA CB C 81 18.428 18.428 18.142 0.286 25786 5528 1 13 . 1 1 81 81 ALA H H 81 8.831 8.831 8.822 0.009 25786 5529 1 13 . 1 1 82 82 ALA N N 82 122.181 122.181 121.925 0.256 25786 5530 1 13 . 1 1 82 82 ALA HA H 82 4.225 4.225 4.117 0.108 25786 5531 1 13 . 1 1 82 82 ALA C C 82 181.868 181.868 179.487 2.381 25786 5532 1 13 . 1 1 82 82 ALA CA C 82 54.808 54.808 54.807 0.001 25786 5533 1 13 . 1 1 82 82 ALA CB C 82 19.088 19.088 18.232 0.856 25786 5534 1 13 . 1 1 82 82 ALA H H 82 8.272 8.272 7.725 0.547 25786 5535 1 13 . 1 1 83 83 TRP N N 83 123.399 123.399 118.774 4.625 25786 5536 1 13 . 1 1 83 83 TRP HA H 83 4.543 4.543 4.184 0.359 25786 5537 1 13 . 1 1 83 83 TRP C C 83 178.633 178.633 178.473 0.160 25786 5538 1 13 . 1 1 83 83 TRP CA C 83 59.562 59.562 58.463 1.099 25786 5539 1 13 . 1 1 83 83 TRP CB C 83 28.301 28.301 28.338 -0.037 25786 5540 1 13 . 1 1 83 83 TRP H H 83 9.378 9.378 7.965 1.413 25786 5541 1 13 . 1 1 84 84 ASN N N 84 118.250 118.250 117.166 1.084 25786 5542 1 13 . 1 1 84 84 ASN HA H 84 4.616 4.616 4.174 0.442 25786 5543 1 13 . 1 1 84 84 ASN C C 84 177.231 177.231 178.034 -0.803 25786 5544 1 13 . 1 1 84 84 ASN CA C 84 57.096 57.096 55.935 1.161 25786 5545 1 13 . 1 1 84 84 ASN CB C 84 39.229 39.229 36.835 2.394 25786 5546 1 13 . 1 1 84 84 ASN H H 84 9.136 9.136 8.406 0.730 25786 5547 1 13 . 1 1 85 85 GLN N N 85 116.261 116.261 120.221 -3.960 25786 5548 1 13 . 1 1 85 85 GLN HA H 85 4.011 4.011 4.099 -0.088 25786 5549 1 13 . 1 1 85 85 GLN C C 85 179.455 179.455 178.449 1.006 25786 5550 1 13 . 1 1 85 85 GLN CA C 85 58.748 58.748 58.631 0.117 25786 5551 1 13 . 1 1 85 85 GLN CB C 85 27.840 27.840 28.560 -0.720 25786 5552 1 13 . 1 1 85 85 GLN H H 85 7.511 7.511 7.551 -0.040 25786 5553 1 13 . 1 1 86 86 LEU N N 86 121.554 121.554 119.481 2.073 25786 5554 1 13 . 1 1 86 86 LEU HA H 86 4.041 4.041 3.859 0.182 25786 5555 1 13 . 1 1 86 86 LEU C C 86 179.171 179.171 179.233 -0.062 25786 5556 1 13 . 1 1 86 86 LEU CA C 86 57.804 57.804 57.545 0.259 25786 5557 1 13 . 1 1 86 86 LEU CB C 86 41.915 41.915 41.553 0.362 25786 5558 1 13 . 1 1 86 86 LEU H H 86 8.172 8.172 8.348 -0.176 25786 5559 1 13 . 1 1 87 87 MET N N 87 117.874 117.874 116.668 1.206 25786 5560 1 13 . 1 1 87 87 MET HA H 87 3.752 3.752 3.888 -0.136 25786 5561 1 13 . 1 1 87 87 MET C C 87 178.221 178.221 178.538 -0.317 25786 5562 1 13 . 1 1 87 87 MET CA C 87 59.481 59.481 59.284 0.197 25786 5563 1 13 . 1 1 87 87 MET CB C 87 34.875 34.875 32.717 2.158 25786 5564 1 13 . 1 1 87 87 MET H H 87 8.197 8.197 7.822 0.375 25786 5565 1 13 . 1 1 88 88 LEU N N 88 117.598 117.598 120.579 -2.981 25786 5566 1 13 . 1 1 88 88 LEU HA H 88 4.054 4.054 4.328 -0.274 25786 5567 1 13 . 1 1 88 88 LEU C C 88 179.237 179.237 178.822 0.415 25786 5568 1 13 . 1 1 88 88 LEU CA C 88 57.076 57.076 58.325 -1.250 25786 5569 1 13 . 1 1 88 88 LEU CB C 88 42.395 42.395 41.950 0.445 25786 5570 1 13 . 1 1 88 88 LEU H H 88 7.902 7.902 8.355 -0.453 25786 5571 1 13 . 1 1 89 89 SER N N 89 113.195 113.195 113.108 0.087 25786 5572 1 13 . 1 1 89 89 SER HA H 89 4.038 4.038 4.551 -0.513 25786 5573 1 13 . 1 1 89 89 SER C C 89 175.090 175.090 174.922 0.168 25786 5574 1 13 . 1 1 89 89 SER CA C 89 59.901 59.901 58.947 0.954 25786 5575 1 13 . 1 1 89 89 SER CB C 89 63.834 63.834 63.188 0.646 25786 5576 1 13 . 1 1 89 89 SER H H 89 7.958 7.958 8.023 -0.065 25786 5577 1 13 . 1 1 90 90 ARG N N 90 122.031 122.031 119.896 2.135 25786 5578 1 13 . 1 1 90 90 ARG HA H 90 4.701 4.701 4.399 0.302 25786 5579 1 13 . 1 1 90 90 ARG C C 90 175.695 175.695 175.363 0.332 25786 5580 1 13 . 1 1 90 90 ARG CA C 90 53.905 53.905 56.307 -2.402 25786 5581 1 13 . 1 1 90 90 ARG CB C 90 29.631 29.631 30.803 -1.172 25786 5582 1 13 . 1 1 90 90 ARG H H 90 7.923 7.923 7.552 0.371 25786 5583 1 13 . 1 1 91 91 SER N N 91 117.191 117.191 115.953 1.238 25786 5584 1 13 . 1 1 91 91 SER C C 91 172.914 172.914 172.217 0.697 25786 5585 1 13 . 1 1 91 91 SER CA C 91 57.104 57.104 55.736 1.368 25786 5586 1 13 . 1 1 91 91 SER CB C 91 63.437 63.437 64.946 -1.509 25786 5587 1 13 . 1 1 91 91 SER H H 91 7.752 7.752 7.896 -0.144 25786 5588 1 13 . 1 1 92 92 PRO HA H 92 4.420 4.420 4.371 0.049 25786 5589 1 13 . 1 1 92 92 PRO CA C 92 63.414 63.414 63.330 0.084 25786 5590 1 13 . 1 1 92 92 PRO CB C 92 31.895 31.895 31.767 0.128 25786 5591 1 14 . 1 1 15 15 ASN N N 15 119.857 119.857 119.161 0.696 25786 5592 1 14 . 1 1 15 15 ASN HA H 15 4.719 4.719 4.980 -0.261 25786 5593 1 14 . 1 1 15 15 ASN C C 15 175.735 175.735 175.297 0.438 25786 5594 1 14 . 1 1 15 15 ASN CA C 15 53.556 53.556 52.587 0.969 25786 5595 1 14 . 1 1 15 15 ASN CB C 15 38.731 38.731 40.865 -2.134 25786 5596 1 14 . 1 1 15 15 ASN H H 15 8.425 8.425 8.334 0.091 25786 5597 1 14 . 1 1 16 16 ARG N N 16 122.030 122.030 116.159 5.871 25786 5598 1 14 . 1 1 16 16 ARG HA H 16 4.211 4.211 3.858 0.353 25786 5599 1 14 . 1 1 16 16 ARG C C 16 176.669 176.669 178.493 -1.824 25786 5600 1 14 . 1 1 16 16 ARG CA C 16 57.735 57.735 58.479 -0.744 25786 5601 1 14 . 1 1 16 16 ARG CB C 16 30.224 30.224 28.819 1.405 25786 5602 1 14 . 1 1 16 16 ARG H H 16 8.347 8.347 8.680 -0.333 25786 5603 1 14 . 1 1 17 17 HIS N N 17 118.590 118.590 120.902 -2.312 25786 5604 1 14 . 1 1 17 17 HIS HA H 17 4.563 4.563 4.351 0.212 25786 5605 1 14 . 1 1 17 17 HIS C C 17 176.284 176.284 177.507 -1.223 25786 5606 1 14 . 1 1 17 17 HIS CA C 17 58.394 58.394 59.743 -1.349 25786 5607 1 14 . 1 1 17 17 HIS CB C 17 30.362 30.362 29.590 0.772 25786 5608 1 14 . 1 1 17 17 HIS H H 17 8.395 8.395 8.616 -0.221 25786 5609 1 14 . 1 1 18 18 ALA N N 18 122.047 122.047 121.066 0.981 25786 5610 1 14 . 1 1 18 18 ALA HA H 18 4.182 4.182 4.416 -0.234 25786 5611 1 14 . 1 1 18 18 ALA C C 18 180.003 180.003 177.924 2.079 25786 5612 1 14 . 1 1 18 18 ALA CA C 18 54.294 54.294 53.843 0.451 25786 5613 1 14 . 1 1 18 18 ALA CB C 18 18.849 18.849 18.245 0.604 25786 5614 1 14 . 1 1 18 18 ALA H H 18 8.436 8.436 7.921 0.515 25786 5615 1 14 . 1 1 19 19 ALA N N 19 122.607 122.607 120.244 2.363 25786 5616 1 14 . 1 1 19 19 ALA HA H 19 4.275 4.275 4.385 -0.110 25786 5617 1 14 . 1 1 19 19 ALA C C 19 180.295 180.295 179.249 1.046 25786 5618 1 14 . 1 1 19 19 ALA CA C 19 55.040 55.040 53.941 1.099 25786 5619 1 14 . 1 1 19 19 ALA CB C 19 18.267 18.267 19.015 -0.748 25786 5620 1 14 . 1 1 19 19 ALA H H 19 8.402 8.402 8.014 0.388 25786 5621 1 14 . 1 1 20 20 ASP N N 20 118.796 118.796 120.226 -1.430 25786 5622 1 14 . 1 1 20 20 ASP HA H 20 4.837 4.837 4.535 0.302 25786 5623 1 14 . 1 1 20 20 ASP C C 20 177.313 177.313 177.457 -0.144 25786 5624 1 14 . 1 1 20 20 ASP CA C 20 56.725 56.725 56.270 0.455 25786 5625 1 14 . 1 1 20 20 ASP CB C 20 40.189 40.189 40.880 -0.691 25786 5626 1 14 . 1 1 20 20 ASP H H 20 8.317 8.317 8.114 0.203 25786 5627 1 14 . 1 1 21 21 TYR N N 21 120.958 120.958 120.477 0.481 25786 5628 1 14 . 1 1 21 21 TYR HA H 21 4.058 4.058 4.206 -0.148 25786 5629 1 14 . 1 1 21 21 TYR C C 21 176.282 176.282 177.125 -0.843 25786 5630 1 14 . 1 1 21 21 TYR CA C 21 61.892 61.892 61.689 0.203 25786 5631 1 14 . 1 1 21 21 TYR CB C 21 38.655 38.655 38.433 0.222 25786 5632 1 14 . 1 1 21 21 TYR H H 21 8.679 8.679 8.264 0.415 25786 5633 1 14 . 1 1 22 22 GLN N N 22 117.715 117.715 118.305 -0.590 25786 5634 1 14 . 1 1 22 22 GLN HA H 22 3.826 3.826 3.906 -0.080 25786 5635 1 14 . 1 1 22 22 GLN C C 22 178.197 178.197 178.101 0.096 25786 5636 1 14 . 1 1 22 22 GLN CA C 22 59.110 59.110 59.572 -0.462 25786 5637 1 14 . 1 1 22 22 GLN CB C 22 27.430 27.430 28.021 -0.591 25786 5638 1 14 . 1 1 22 22 GLN H H 22 8.236 8.236 8.049 0.187 25786 5639 1 14 . 1 1 23 23 GLN N N 23 118.526 118.526 118.622 -0.096 25786 5640 1 14 . 1 1 23 23 GLN HA H 23 4.100 4.100 4.056 0.044 25786 5641 1 14 . 1 1 23 23 GLN C C 23 177.521 177.521 178.550 -1.029 25786 5642 1 14 . 1 1 23 23 GLN CA C 23 58.915 58.915 59.204 -0.289 25786 5643 1 14 . 1 1 23 23 GLN CB C 23 29.032 29.032 28.039 0.993 25786 5644 1 14 . 1 1 23 23 GLN H H 23 8.003 8.003 7.738 0.265 25786 5645 1 14 . 1 1 24 24 LEU N N 24 121.914 121.914 121.041 0.873 25786 5646 1 14 . 1 1 24 24 LEU HA H 24 3.444 3.444 3.218 0.226 25786 5647 1 14 . 1 1 24 24 LEU C C 24 176.882 176.882 177.957 -1.075 25786 5648 1 14 . 1 1 24 24 LEU CA C 24 58.115 58.115 57.417 0.698 25786 5649 1 14 . 1 1 24 24 LEU CB C 24 41.704 41.704 41.164 0.540 25786 5650 1 14 . 1 1 24 24 LEU H H 24 8.031 8.031 7.600 0.431 25786 5651 1 14 . 1 1 25 25 ARG N N 25 116.645 116.645 118.974 -2.329 25786 5652 1 14 . 1 1 25 25 ARG HA H 25 3.395 3.395 3.561 -0.166 25786 5653 1 14 . 1 1 25 25 ARG C C 25 177.469 177.469 178.203 -0.734 25786 5654 1 14 . 1 1 25 25 ARG CA C 25 60.246 60.246 59.689 0.557 25786 5655 1 14 . 1 1 25 25 ARG CB C 25 29.925 29.925 29.719 0.206 25786 5656 1 14 . 1 1 25 25 ARG H H 25 7.981 7.981 8.134 -0.153 25786 5657 1 14 . 1 1 26 26 GLU N N 26 115.943 115.943 118.614 -2.671 25786 5658 1 14 . 1 1 26 26 GLU HA H 26 3.832 3.832 3.996 -0.164 25786 5659 1 14 . 1 1 26 26 GLU C C 26 179.682 179.682 179.063 0.619 25786 5660 1 14 . 1 1 26 26 GLU CA C 26 59.517 59.517 59.566 -0.049 25786 5661 1 14 . 1 1 26 26 GLU CB C 26 29.439 29.439 29.512 -0.073 25786 5662 1 14 . 1 1 26 26 GLU H H 26 8.160 8.160 8.279 -0.119 25786 5663 1 14 . 1 1 27 27 ARG N N 27 118.766 118.766 119.822 -1.056 25786 5664 1 14 . 1 1 27 27 ARG HA H 27 4.144 4.144 4.181 -0.037 25786 5665 1 14 . 1 1 27 27 ARG C C 27 179.241 179.241 178.967 0.274 25786 5666 1 14 . 1 1 27 27 ARG CA C 27 58.855 58.855 58.326 0.529 25786 5667 1 14 . 1 1 27 27 ARG CB C 27 29.996 29.996 29.968 0.028 25786 5668 1 14 . 1 1 27 27 ARG H H 27 8.283 8.283 7.728 0.555 25786 5669 1 14 . 1 1 28 28 LEU N N 28 122.077 122.077 120.514 1.563 25786 5670 1 14 . 1 1 28 28 LEU HA H 28 4.106 4.106 4.025 0.081 25786 5671 1 14 . 1 1 28 28 LEU C C 28 178.766 178.766 178.917 -0.151 25786 5672 1 14 . 1 1 28 28 LEU CA C 28 58.558 58.558 58.121 0.437 25786 5673 1 14 . 1 1 28 28 LEU CB C 28 42.514 42.514 41.672 0.842 25786 5674 1 14 . 1 1 28 28 LEU H H 28 8.389 8.389 8.037 0.352 25786 5675 1 14 . 1 1 29 29 ILE N N 29 117.586 117.586 119.871 -2.285 25786 5676 1 14 . 1 1 29 29 ILE HA H 29 3.339 3.339 3.491 -0.152 25786 5677 1 14 . 1 1 29 29 ILE C C 29 177.927 177.927 177.991 -0.064 25786 5678 1 14 . 1 1 29 29 ILE CA C 29 66.203 66.203 66.053 0.150 25786 5679 1 14 . 1 1 29 29 ILE CB C 29 37.823 37.823 37.574 0.249 25786 5680 1 14 . 1 1 29 29 ILE H H 29 7.914 7.914 8.335 -0.421 25786 5681 1 14 . 1 1 30 30 GLN N N 30 116.395 116.395 117.695 -1.300 25786 5682 1 14 . 1 1 30 30 GLN HA H 30 4.157 4.157 3.997 0.160 25786 5683 1 14 . 1 1 30 30 GLN C C 30 179.400 179.400 178.708 0.692 25786 5684 1 14 . 1 1 30 30 GLN CA C 30 58.410 58.410 58.722 -0.312 25786 5685 1 14 . 1 1 30 30 GLN CB C 30 28.804 28.804 28.810 -0.006 25786 5686 1 14 . 1 1 30 30 GLN H H 30 7.287 7.287 7.844 -0.557 25786 5687 1 14 . 1 1 31 31 GLU N N 31 120.336 120.336 120.186 0.150 25786 5688 1 14 . 1 1 31 31 GLU HA H 31 4.023 4.023 4.170 -0.147 25786 5689 1 14 . 1 1 31 31 GLU C C 31 178.395 178.395 178.531 -0.136 25786 5690 1 14 . 1 1 31 31 GLU CA C 31 59.377 59.377 58.759 0.618 25786 5691 1 14 . 1 1 31 31 GLU CB C 31 30.436 30.436 29.887 0.549 25786 5692 1 14 . 1 1 31 31 GLU H H 31 8.814 8.814 8.089 0.725 25786 5693 1 14 . 1 1 32 32 LEU N N 32 115.139 115.139 116.269 -1.130 25786 5694 1 14 . 1 1 32 32 LEU HA H 32 4.377 4.377 4.400 -0.023 25786 5695 1 14 . 1 1 32 32 LEU C C 32 176.033 176.033 176.438 -0.405 25786 5696 1 14 . 1 1 32 32 LEU CA C 32 54.101 54.101 54.314 -0.213 25786 5697 1 14 . 1 1 32 32 LEU CB C 32 41.354 41.354 42.020 -0.666 25786 5698 1 14 . 1 1 32 32 LEU H H 32 8.109 8.109 8.050 0.059 25786 5699 1 14 . 1 1 33 33 ASN N N 33 116.751 116.751 115.654 1.097 25786 5700 1 14 . 1 1 33 33 ASN HA H 33 4.453 4.453 4.343 0.110 25786 5701 1 14 . 1 1 33 33 ASN C C 33 174.288 174.288 174.501 -0.213 25786 5702 1 14 . 1 1 33 33 ASN CA C 33 54.024 54.024 54.099 -0.075 25786 5703 1 14 . 1 1 33 33 ASN CB C 33 36.929 36.929 37.356 -0.427 25786 5704 1 14 . 1 1 33 33 ASN H H 33 7.796 7.796 7.631 0.165 25786 5705 1 14 . 1 1 34 34 LEU N N 34 117.139 117.139 117.487 -0.348 25786 5706 1 14 . 1 1 34 34 LEU HA H 34 4.787 4.787 4.747 0.040 25786 5707 1 14 . 1 1 34 34 LEU C C 34 176.521 176.521 175.470 1.051 25786 5708 1 14 . 1 1 34 34 LEU CA C 34 53.079 53.079 53.637 -0.558 25786 5709 1 14 . 1 1 34 34 LEU CB C 34 44.673 44.673 45.229 -0.556 25786 5710 1 14 . 1 1 34 34 LEU H H 34 7.728 7.728 8.542 -0.814 25786 5711 1 14 . 1 1 35 35 THR N N 35 110.751 110.751 108.003 2.748 25786 5712 1 14 . 1 1 35 35 THR HA H 35 4.803 4.803 4.868 -0.065 25786 5713 1 14 . 1 1 35 35 THR C C 35 174.438 174.438 173.523 0.915 25786 5714 1 14 . 1 1 35 35 THR CA C 35 59.445 59.445 58.226 1.219 25786 5715 1 14 . 1 1 35 35 THR CB C 35 68.651 68.651 69.893 -1.242 25786 5716 1 14 . 1 1 35 35 THR H H 35 8.001 8.001 8.011 -0.010 25786 5717 1 14 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.264 -0.187 25786 5718 1 14 . 1 1 36 36 PRO CA C 36 65.645 65.645 65.350 0.295 25786 5719 1 14 . 1 1 36 36 PRO CB C 36 31.632 31.632 31.819 -0.187 25786 5720 1 14 . 1 1 37 37 GLN N N 37 112.874 112.874 112.941 -0.067 25786 5721 1 14 . 1 1 37 37 GLN HA H 37 4.105 4.105 4.331 -0.226 25786 5722 1 14 . 1 1 37 37 GLN C C 37 176.960 176.960 176.966 -0.006 25786 5723 1 14 . 1 1 37 37 GLN CA C 37 57.891 57.891 56.864 1.027 25786 5724 1 14 . 1 1 37 37 GLN CB C 37 27.902 27.902 27.897 0.005 25786 5725 1 14 . 1 1 37 37 GLN H H 37 8.005 8.005 8.470 -0.465 25786 5726 1 14 . 1 1 38 38 GLN N N 38 116.477 116.477 119.129 -2.652 25786 5727 1 14 . 1 1 38 38 GLN HA H 38 4.187 4.187 4.315 -0.128 25786 5728 1 14 . 1 1 38 38 GLN C C 38 175.508 175.508 176.712 -1.204 25786 5729 1 14 . 1 1 38 38 GLN CA C 38 56.398 56.398 56.284 0.114 25786 5730 1 14 . 1 1 38 38 GLN CB C 38 31.126 31.126 29.958 1.168 25786 5731 1 14 . 1 1 38 38 GLN H H 38 7.663 7.663 7.621 0.042 25786 5732 1 14 . 1 1 39 39 LEU N N 39 120.726 120.726 122.835 -2.109 25786 5733 1 14 . 1 1 39 39 LEU HA H 39 4.371 4.371 4.411 -0.040 25786 5734 1 14 . 1 1 39 39 LEU C C 39 174.277 174.277 174.760 -0.483 25786 5735 1 14 . 1 1 39 39 LEU CA C 39 53.959 53.959 53.842 0.117 25786 5736 1 14 . 1 1 39 39 LEU CB C 39 41.610 41.610 41.744 -0.134 25786 5737 1 14 . 1 1 39 39 LEU H H 39 7.286 7.286 8.052 -0.766 25786 5738 1 14 . 1 1 40 40 HIS N N 40 124.680 124.680 124.886 -0.206 25786 5739 1 14 . 1 1 40 40 HIS HA H 40 4.808 4.808 4.551 0.257 25786 5740 1 14 . 1 1 40 40 HIS C C 40 176.727 176.727 176.363 0.364 25786 5741 1 14 . 1 1 40 40 HIS CA C 40 54.762 54.762 56.244 -1.482 25786 5742 1 14 . 1 1 40 40 HIS CB C 40 31.521 31.521 32.106 -0.585 25786 5743 1 14 . 1 1 40 40 HIS H H 40 8.158 8.158 7.850 0.308 25786 5744 1 14 . 1 1 41 41 GLU HA H 41 4.029 4.029 3.812 0.217 25786 5745 1 14 . 1 1 42 42 GLU N N 42 113.813 113.813 116.737 -2.924 25786 5746 1 14 . 1 1 42 42 GLU HA H 42 4.547 4.547 4.310 0.237 25786 5747 1 14 . 1 1 42 42 GLU C C 42 176.680 176.680 176.060 0.620 25786 5748 1 14 . 1 1 42 42 GLU CA C 42 55.313 55.313 55.060 0.253 25786 5749 1 14 . 1 1 42 42 GLU CB C 42 29.165 29.165 28.163 1.002 25786 5750 1 14 . 1 1 42 42 GLU H H 42 8.808 8.808 7.776 1.032 25786 5751 1 14 . 1 1 43 43 SER N N 43 118.066 118.066 116.950 1.116 25786 5752 1 14 . 1 1 43 43 SER HA H 43 4.088 4.088 4.425 -0.337 25786 5753 1 14 . 1 1 43 43 SER C C 43 173.663 173.663 173.668 -0.005 25786 5754 1 14 . 1 1 43 43 SER CA C 43 60.156 60.156 58.638 1.518 25786 5755 1 14 . 1 1 43 43 SER CB C 43 62.827 62.827 64.012 -1.185 25786 5756 1 14 . 1 1 43 43 SER H H 43 7.485 7.485 7.807 -0.322 25786 5757 1 14 . 1 1 44 44 ASN N N 44 123.218 123.218 123.613 -0.395 25786 5758 1 14 . 1 1 44 44 ASN HA H 44 4.392 4.392 4.734 -0.342 25786 5759 1 14 . 1 1 44 44 ASN C C 44 176.926 176.926 176.353 0.573 25786 5760 1 14 . 1 1 44 44 ASN CA C 44 53.987 53.987 53.768 0.219 25786 5761 1 14 . 1 1 44 44 ASN CB C 44 38.433 38.433 38.736 -0.303 25786 5762 1 14 . 1 1 44 44 ASN H H 44 8.811 8.811 8.797 0.014 25786 5763 1 14 . 1 1 45 45 LEU N N 45 128.735 128.735 126.050 2.685 25786 5764 1 14 . 1 1 45 45 LEU HA H 45 3.722 3.722 3.922 -0.200 25786 5765 1 14 . 1 1 45 45 LEU C C 45 178.143 178.143 178.378 -0.235 25786 5766 1 14 . 1 1 45 45 LEU CA C 45 57.149 57.149 57.285 -0.136 25786 5767 1 14 . 1 1 45 45 LEU CB C 45 42.250 42.250 41.905 0.345 25786 5768 1 14 . 1 1 45 45 LEU H H 45 9.385 9.385 8.025 1.360 25786 5769 1 14 . 1 1 46 46 ILE N N 46 119.379 119.379 118.353 1.026 25786 5770 1 14 . 1 1 46 46 ILE HA H 46 4.187 4.187 4.071 0.116 25786 5771 1 14 . 1 1 46 46 ILE C C 46 180.926 180.926 179.207 1.719 25786 5772 1 14 . 1 1 46 46 ILE CA C 46 63.814 63.814 64.543 -0.729 25786 5773 1 14 . 1 1 46 46 ILE CB C 46 36.709 36.709 37.910 -1.201 25786 5774 1 14 . 1 1 46 46 ILE H H 46 7.659 7.659 7.874 -0.215 25786 5775 1 14 . 1 1 47 47 GLN N N 47 121.737 121.737 118.465 3.272 25786 5776 1 14 . 1 1 47 47 GLN HA H 47 3.989 3.989 4.174 -0.185 25786 5777 1 14 . 1 1 47 47 GLN C C 47 177.739 177.739 176.652 1.087 25786 5778 1 14 . 1 1 47 47 GLN CA C 47 58.033 58.033 57.973 0.060 25786 5779 1 14 . 1 1 47 47 GLN CB C 47 27.985 27.985 28.058 -0.073 25786 5780 1 14 . 1 1 47 47 GLN H H 47 8.161 8.161 8.690 -0.529 25786 5781 1 14 . 1 1 48 48 ALA N N 48 117.777 117.777 119.751 -1.974 25786 5782 1 14 . 1 1 48 48 ALA HA H 48 4.260 4.260 4.482 -0.222 25786 5783 1 14 . 1 1 48 48 ALA C C 48 176.582 176.582 177.033 -0.451 25786 5784 1 14 . 1 1 48 48 ALA CA C 48 52.710 52.710 51.788 0.922 25786 5785 1 14 . 1 1 48 48 ALA CB C 48 18.601 18.601 19.673 -1.072 25786 5786 1 14 . 1 1 48 48 ALA H H 48 7.448 7.448 7.247 0.201 25786 5787 1 14 . 1 1 49 49 GLY N N 49 102.932 102.932 106.884 -3.952 25786 5788 1 14 . 1 1 49 49 GLY C C 49 174.451 174.451 172.668 1.783 25786 5789 1 14 . 1 1 49 49 GLY CA C 49 44.967 44.967 44.882 0.085 25786 5790 1 14 . 1 1 49 49 GLY H H 49 7.445 7.445 7.805 -0.360 25786 5791 1 14 . 1 1 50 50 LEU N N 50 123.058 123.058 121.591 1.467 25786 5792 1 14 . 1 1 50 50 LEU HA H 50 4.257 4.257 4.925 -0.668 25786 5793 1 14 . 1 1 50 50 LEU C C 50 173.460 173.460 174.804 -1.344 25786 5794 1 14 . 1 1 50 50 LEU CA C 50 55.909 55.909 53.914 1.995 25786 5795 1 14 . 1 1 50 50 LEU CB C 50 41.454 41.454 45.258 -3.804 25786 5796 1 14 . 1 1 50 50 LEU H H 50 8.545 8.545 7.469 1.076 25786 5797 1 14 . 1 1 54 54 ARG N N 54 121.407 121.407 121.765 -0.358 25786 5798 1 14 . 1 1 54 54 ARG HA H 54 4.088 4.088 3.894 0.194 25786 5799 1 14 . 1 1 54 54 ARG C C 54 179.647 179.647 177.929 1.718 25786 5800 1 14 . 1 1 54 54 ARG CA C 54 59.615 59.615 59.130 0.485 25786 5801 1 14 . 1 1 54 54 ARG CB C 54 30.633 30.633 30.767 -0.134 25786 5802 1 14 . 1 1 54 54 ARG H H 54 8.412 8.412 8.974 -0.562 25786 5803 1 14 . 1 1 55 55 LEU N N 55 121.118 121.118 121.491 -0.373 25786 5804 1 14 . 1 1 55 55 LEU HA H 55 4.332 4.332 4.449 -0.117 25786 5805 1 14 . 1 1 55 55 LEU C C 55 178.416 178.416 178.240 0.176 25786 5806 1 14 . 1 1 55 55 LEU CA C 55 59.035 59.035 57.993 1.042 25786 5807 1 14 . 1 1 55 55 LEU CB C 55 41.718 41.718 42.303 -0.585 25786 5808 1 14 . 1 1 55 55 LEU H H 55 9.050 9.050 8.298 0.752 25786 5809 1 14 . 1 1 56 56 MET N N 56 117.969 117.969 118.408 -0.439 25786 5810 1 14 . 1 1 56 56 MET HA H 56 4.284 4.284 4.032 0.252 25786 5811 1 14 . 1 1 56 56 MET C C 56 178.301 178.301 178.082 0.219 25786 5812 1 14 . 1 1 56 56 MET CA C 56 57.927 57.927 58.866 -0.939 25786 5813 1 14 . 1 1 56 56 MET CB C 56 31.317 31.317 32.119 -0.802 25786 5814 1 14 . 1 1 56 56 MET H H 56 7.875 7.875 7.924 -0.049 25786 5815 1 14 . 1 1 57 57 ARG N N 57 119.532 119.532 118.729 0.803 25786 5816 1 14 . 1 1 57 57 ARG HA H 57 4.096 4.096 3.878 0.218 25786 5817 1 14 . 1 1 57 57 ARG C C 57 180.458 180.458 178.360 2.098 25786 5818 1 14 . 1 1 57 57 ARG CA C 57 59.770 59.770 59.767 0.003 25786 5819 1 14 . 1 1 57 57 ARG CB C 57 29.520 29.520 29.833 -0.313 25786 5820 1 14 . 1 1 57 57 ARG H H 57 7.609 7.609 8.060 -0.451 25786 5821 1 14 . 1 1 58 58 TRP N N 58 121.820 121.820 117.813 4.007 25786 5822 1 14 . 1 1 58 58 TRP HA H 58 4.465 4.465 4.421 0.044 25786 5823 1 14 . 1 1 58 58 TRP C C 58 177.973 177.973 178.410 -0.437 25786 5824 1 14 . 1 1 58 58 TRP CA C 58 61.063 61.063 58.371 2.692 25786 5825 1 14 . 1 1 58 58 TRP CB C 58 28.348 28.348 29.347 -0.999 25786 5826 1 14 . 1 1 58 58 TRP H H 58 8.207 8.207 7.809 0.398 25786 5827 1 14 . 1 1 59 59 LEU N N 59 121.654 121.654 121.540 0.114 25786 5828 1 14 . 1 1 59 59 LEU HA H 59 4.274 4.274 4.354 -0.080 25786 5829 1 14 . 1 1 59 59 LEU C C 59 178.823 178.823 177.956 0.867 25786 5830 1 14 . 1 1 59 59 LEU CA C 59 59.044 59.044 57.263 1.781 25786 5831 1 14 . 1 1 59 59 LEU CB C 59 40.851 40.851 41.279 -0.428 25786 5832 1 14 . 1 1 59 59 LEU H H 59 8.599 8.599 7.930 0.669 25786 5833 1 14 . 1 1 60 60 HIS N N 60 116.952 116.952 117.450 -0.498 25786 5834 1 14 . 1 1 60 60 HIS HA H 60 4.389 4.389 4.446 -0.057 25786 5835 1 14 . 1 1 60 60 HIS C C 60 177.635 177.635 177.053 0.582 25786 5836 1 14 . 1 1 60 60 HIS CA C 60 59.755 59.755 58.833 0.922 25786 5837 1 14 . 1 1 60 60 HIS CB C 60 30.083 30.083 29.708 0.375 25786 5838 1 14 . 1 1 60 60 HIS H H 60 7.909 7.909 8.036 -0.127 25786 5839 1 14 . 1 1 61 61 TRP N N 61 123.194 123.194 121.347 1.847 25786 5840 1 14 . 1 1 61 61 TRP HA H 61 4.032 4.032 4.145 -0.113 25786 5841 1 14 . 1 1 61 61 TRP C C 61 179.298 179.298 176.856 2.442 25786 5842 1 14 . 1 1 61 61 TRP CA C 61 62.541 62.541 60.992 1.548 25786 5843 1 14 . 1 1 61 61 TRP CB C 61 28.839 28.839 29.537 -0.698 25786 5844 1 14 . 1 1 61 61 TRP H H 61 8.142 8.142 7.842 0.300 25786 5845 1 14 . 1 1 62 62 PHE N N 62 120.038 120.038 119.315 0.723 25786 5846 1 14 . 1 1 62 62 PHE HA H 62 4.205 4.205 4.313 -0.108 25786 5847 1 14 . 1 1 62 62 PHE C C 62 179.080 179.080 178.466 0.614 25786 5848 1 14 . 1 1 62 62 PHE CA C 62 63.629 63.629 62.165 1.464 25786 5849 1 14 . 1 1 62 62 PHE CB C 62 38.664 38.664 38.808 -0.144 25786 5850 1 14 . 1 1 62 62 PHE H H 62 9.447 9.447 8.173 1.274 25786 5851 1 14 . 1 1 63 63 ARG N N 63 118.560 118.560 118.648 -0.088 25786 5852 1 14 . 1 1 63 63 ARG HA H 63 4.258 4.258 4.276 -0.018 25786 5853 1 14 . 1 1 63 63 ARG C C 63 181.328 181.328 178.859 2.469 25786 5854 1 14 . 1 1 63 63 ARG CA C 63 59.257 59.257 58.524 0.733 25786 5855 1 14 . 1 1 63 63 ARG CB C 63 29.697 29.697 29.893 -0.196 25786 5856 1 14 . 1 1 63 63 ARG H H 63 8.665 8.665 8.734 -0.069 25786 5857 1 14 . 1 1 64 64 LYS N N 64 122.759 122.759 120.254 2.505 25786 5858 1 14 . 1 1 64 64 LYS HA H 64 4.019 4.019 4.061 -0.042 25786 5859 1 14 . 1 1 64 64 LYS C C 64 177.595 177.595 177.240 0.355 25786 5860 1 14 . 1 1 64 64 LYS CA C 64 58.651 58.651 58.702 -0.051 25786 5861 1 14 . 1 1 64 64 LYS CB C 64 31.510 31.510 31.774 -0.264 25786 5862 1 14 . 1 1 64 64 LYS H H 64 8.690 8.690 7.922 0.768 25786 5863 1 14 . 1 1 65 65 ASN N N 65 115.681 115.681 116.385 -0.704 25786 5864 1 14 . 1 1 65 65 ASN HA H 65 4.532 4.532 4.768 -0.236 25786 5865 1 14 . 1 1 65 65 ASN C C 65 173.405 173.405 174.091 -0.686 25786 5866 1 14 . 1 1 65 65 ASN CA C 65 53.685 53.685 51.919 1.766 25786 5867 1 14 . 1 1 65 65 ASN CB C 65 39.038 39.038 38.032 1.006 25786 5868 1 14 . 1 1 65 65 ASN H H 65 7.246 7.246 7.751 -0.505 25786 5869 1 14 . 1 1 66 66 GLY N N 66 105.186 105.186 106.403 -1.217 25786 5870 1 14 . 1 1 66 66 GLY C C 66 173.869 173.869 174.890 -1.021 25786 5871 1 14 . 1 1 66 66 GLY CA C 66 45.539 45.539 45.564 -0.025 25786 5872 1 14 . 1 1 66 66 GLY H H 66 7.603 7.603 7.617 -0.014 25786 5873 1 14 . 1 1 67 67 TYR N N 67 119.699 119.699 121.688 -1.989 25786 5874 1 14 . 1 1 67 67 TYR HA H 67 4.542 4.542 4.299 0.243 25786 5875 1 14 . 1 1 67 67 TYR C C 67 175.838 175.838 176.030 -0.192 25786 5876 1 14 . 1 1 67 67 TYR CA C 67 57.858 57.858 58.764 -0.905 25786 5877 1 14 . 1 1 67 67 TYR CB C 67 38.564 38.564 38.051 0.513 25786 5878 1 14 . 1 1 67 67 TYR H H 67 8.248 8.248 7.962 0.286 25786 5879 1 14 . 1 1 68 68 ARG N N 68 125.588 125.588 125.849 -0.261 25786 5880 1 14 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.425 -0.036 25786 5881 1 14 . 1 1 68 68 ARG C C 68 174.479 174.479 175.238 -0.759 25786 5882 1 14 . 1 1 68 68 ARG CA C 68 55.649 55.649 56.133 -0.484 25786 5883 1 14 . 1 1 68 68 ARG CB C 68 28.357 28.357 28.071 0.286 25786 5884 1 14 . 1 1 68 68 ARG H H 68 8.550 8.550 8.637 -0.087 25786 5885 1 14 . 1 1 69 69 LEU N N 69 122.034 122.034 125.153 -3.119 25786 5886 1 14 . 1 1 69 69 LEU HA H 69 4.711 4.711 4.726 -0.015 25786 5887 1 14 . 1 1 69 69 LEU C C 69 175.630 175.630 175.534 0.096 25786 5888 1 14 . 1 1 69 69 LEU CA C 69 53.367 53.367 53.413 -0.047 25786 5889 1 14 . 1 1 69 69 LEU CB C 69 44.286 44.286 45.526 -1.240 25786 5890 1 14 . 1 1 69 69 LEU H H 69 7.421 7.421 8.170 -0.749 25786 5891 1 14 . 1 1 70 70 THR N N 70 109.789 109.789 117.271 -7.482 25786 5892 1 14 . 1 1 70 70 THR HA H 70 4.721 4.721 4.673 0.048 25786 5893 1 14 . 1 1 70 70 THR C C 70 174.636 174.636 175.025 -0.389 25786 5894 1 14 . 1 1 70 70 THR CA C 70 59.377 59.377 61.415 -2.038 25786 5895 1 14 . 1 1 70 70 THR CB C 70 72.180 72.180 70.640 1.540 25786 5896 1 14 . 1 1 70 70 THR H H 70 8.163 8.163 9.332 -1.169 25786 5897 1 14 . 1 1 71 71 LEU N N 71 122.563 122.563 123.392 -0.829 25786 5898 1 14 . 1 1 71 71 LEU HA H 71 3.885 3.885 4.166 -0.281 25786 5899 1 14 . 1 1 71 71 LEU C C 71 178.632 178.632 177.791 0.841 25786 5900 1 14 . 1 1 71 71 LEU CA C 71 58.196 58.196 57.832 0.364 25786 5901 1 14 . 1 1 71 71 LEU CB C 71 41.940 41.940 42.107 -0.167 25786 5902 1 14 . 1 1 71 71 LEU H H 71 8.825 8.825 8.605 0.220 25786 5903 1 14 . 1 1 72 72 ARG N N 72 115.949 115.949 118.293 -2.344 25786 5904 1 14 . 1 1 72 72 ARG HA H 72 3.876 3.876 4.334 -0.458 25786 5905 1 14 . 1 1 72 72 ARG C C 72 178.893 178.893 178.599 0.294 25786 5906 1 14 . 1 1 72 72 ARG CA C 72 59.147 59.147 58.930 0.217 25786 5907 1 14 . 1 1 72 72 ARG CB C 72 29.631 29.631 29.289 0.342 25786 5908 1 14 . 1 1 72 72 ARG H H 72 8.244 8.244 8.438 -0.194 25786 5909 1 14 . 1 1 73 73 GLU N N 73 117.665 117.665 120.419 -2.754 25786 5910 1 14 . 1 1 73 73 GLU HA H 73 3.951 3.951 4.104 -0.153 25786 5911 1 14 . 1 1 73 73 GLU C C 73 178.762 178.762 179.081 -0.319 25786 5912 1 14 . 1 1 73 73 GLU CA C 73 59.092 59.092 59.692 -0.600 25786 5913 1 14 . 1 1 73 73 GLU CB C 73 29.739 29.739 28.712 1.027 25786 5914 1 14 . 1 1 73 73 GLU H H 73 7.461 7.461 7.974 -0.513 25786 5915 1 14 . 1 1 74 74 LEU N N 74 117.724 117.724 119.032 -1.308 25786 5916 1 14 . 1 1 74 74 LEU HA H 74 3.898 3.898 4.241 -0.343 25786 5917 1 14 . 1 1 74 74 LEU C C 74 179.355 179.355 178.852 0.503 25786 5918 1 14 . 1 1 74 74 LEU CA C 74 57.469 57.469 56.966 0.503 25786 5919 1 14 . 1 1 74 74 LEU CB C 74 41.619 41.619 41.533 0.086 25786 5920 1 14 . 1 1 74 74 LEU H H 74 7.413 7.413 7.297 0.116 25786 5921 1 14 . 1 1 75 75 TYR N N 75 114.976 114.976 116.965 -1.989 25786 5922 1 14 . 1 1 75 75 TYR HA H 75 4.054 4.054 4.396 -0.342 25786 5923 1 14 . 1 1 75 75 TYR C C 75 176.656 176.656 177.524 -0.868 25786 5924 1 14 . 1 1 75 75 TYR CA C 75 60.638 60.638 60.290 0.348 25786 5925 1 14 . 1 1 75 75 TYR CB C 75 39.688 39.688 37.849 1.839 25786 5926 1 14 . 1 1 75 75 TYR H H 75 8.086 8.086 7.482 0.604 25786 5927 1 14 . 1 1 76 76 ALA N N 76 119.116 119.116 121.049 -1.933 25786 5928 1 14 . 1 1 76 76 ALA HA H 76 4.052 4.052 4.342 -0.290 25786 5929 1 14 . 1 1 76 76 ALA C C 76 178.156 178.156 177.213 0.943 25786 5930 1 14 . 1 1 76 76 ALA CA C 76 54.468 54.468 53.288 1.180 25786 5931 1 14 . 1 1 76 76 ALA CB C 76 18.535 18.535 19.582 -1.047 25786 5932 1 14 . 1 1 76 76 ALA H H 76 7.776 7.776 7.701 0.075 25786 5933 1 14 . 1 1 77 77 ALA N N 77 116.862 116.862 120.896 -4.034 25786 5934 1 14 . 1 1 77 77 ALA C C 77 173.737 173.737 174.371 -0.634 25786 5935 1 14 . 1 1 77 77 ALA CA C 77 49.713 49.713 49.514 0.200 25786 5936 1 14 . 1 1 77 77 ALA CB C 77 19.226 19.226 19.603 -0.377 25786 5937 1 14 . 1 1 77 77 ALA H H 77 6.706 6.706 7.865 -1.159 25786 5938 1 14 . 1 1 78 78 PRO HA H 78 5.018 5.018 4.984 0.034 25786 5939 1 14 . 1 1 78 78 PRO CA C 78 61.523 61.523 62.239 -0.716 25786 5940 1 14 . 1 1 78 78 PRO CB C 78 28.845 28.845 30.592 -1.747 25786 5941 1 14 . 1 1 79 79 THR N N 79 111.947 111.947 112.415 -0.468 25786 5942 1 14 . 1 1 79 79 THR HA H 79 4.396 4.396 4.377 0.019 25786 5943 1 14 . 1 1 79 79 THR C C 79 173.000 173.000 173.884 -0.884 25786 5944 1 14 . 1 1 79 79 THR CA C 79 58.059 58.059 59.599 -1.540 25786 5945 1 14 . 1 1 79 79 THR CB C 79 72.247 72.247 72.209 0.038 25786 5946 1 14 . 1 1 79 79 THR H H 79 7.664 7.664 6.978 0.686 25786 5947 1 14 . 1 1 80 80 LEU N N 80 123.227 123.227 121.966 1.261 25786 5948 1 14 . 1 1 80 80 LEU HA H 80 3.747 3.747 3.949 -0.202 25786 5949 1 14 . 1 1 80 80 LEU C C 80 179.028 179.028 178.120 0.908 25786 5950 1 14 . 1 1 80 80 LEU CA C 80 58.209 58.209 57.567 0.642 25786 5951 1 14 . 1 1 80 80 LEU CB C 80 41.579 41.579 41.846 -0.267 25786 5952 1 14 . 1 1 80 80 LEU H H 80 9.609 9.609 8.840 0.769 25786 5953 1 14 . 1 1 81 81 ALA N N 81 119.663 119.663 120.485 -0.822 25786 5954 1 14 . 1 1 81 81 ALA HA H 81 4.141 4.141 4.036 0.105 25786 5955 1 14 . 1 1 81 81 ALA C C 81 181.038 181.038 178.865 2.173 25786 5956 1 14 . 1 1 81 81 ALA CA C 81 54.876 54.876 54.634 0.242 25786 5957 1 14 . 1 1 81 81 ALA CB C 81 18.428 18.428 18.005 0.423 25786 5958 1 14 . 1 1 81 81 ALA H H 81 8.831 8.831 9.064 -0.233 25786 5959 1 14 . 1 1 82 82 ALA N N 82 122.181 122.181 122.250 -0.069 25786 5960 1 14 . 1 1 82 82 ALA HA H 82 4.225 4.225 4.150 0.075 25786 5961 1 14 . 1 1 82 82 ALA C C 82 181.868 181.868 179.493 2.375 25786 5962 1 14 . 1 1 82 82 ALA CA C 82 54.808 54.808 55.071 -0.263 25786 5963 1 14 . 1 1 82 82 ALA CB C 82 19.088 19.088 18.261 0.827 25786 5964 1 14 . 1 1 82 82 ALA H H 82 8.272 8.272 7.799 0.473 25786 5965 1 14 . 1 1 83 83 TRP N N 83 123.399 123.399 118.922 4.477 25786 5966 1 14 . 1 1 83 83 TRP HA H 83 4.543 4.543 4.285 0.258 25786 5967 1 14 . 1 1 83 83 TRP C C 83 178.633 178.633 178.801 -0.168 25786 5968 1 14 . 1 1 83 83 TRP CA C 83 59.562 59.562 58.310 1.252 25786 5969 1 14 . 1 1 83 83 TRP CB C 83 28.301 28.301 28.509 -0.208 25786 5970 1 14 . 1 1 83 83 TRP H H 83 9.378 9.378 7.530 1.848 25786 5971 1 14 . 1 1 84 84 ASN N N 84 118.250 118.250 118.253 -0.003 25786 5972 1 14 . 1 1 84 84 ASN HA H 84 4.616 4.616 4.374 0.242 25786 5973 1 14 . 1 1 84 84 ASN C C 84 177.231 177.231 177.454 -0.223 25786 5974 1 14 . 1 1 84 84 ASN CA C 84 57.096 57.096 56.669 0.427 25786 5975 1 14 . 1 1 84 84 ASN CB C 84 39.229 39.229 38.161 1.068 25786 5976 1 14 . 1 1 84 84 ASN H H 84 9.136 9.136 8.609 0.527 25786 5977 1 14 . 1 1 85 85 GLN N N 85 116.261 116.261 120.097 -3.836 25786 5978 1 14 . 1 1 85 85 GLN HA H 85 4.011 4.011 4.058 -0.047 25786 5979 1 14 . 1 1 85 85 GLN C C 85 179.455 179.455 178.339 1.116 25786 5980 1 14 . 1 1 85 85 GLN CA C 85 58.748 58.748 58.498 0.250 25786 5981 1 14 . 1 1 85 85 GLN CB C 85 27.840 27.840 28.380 -0.540 25786 5982 1 14 . 1 1 85 85 GLN H H 85 7.511 7.511 8.056 -0.545 25786 5983 1 14 . 1 1 86 86 LEU N N 86 121.554 121.554 116.158 5.396 25786 5984 1 14 . 1 1 86 86 LEU HA H 86 4.041 4.041 4.025 0.016 25786 5985 1 14 . 1 1 86 86 LEU C C 86 179.171 179.171 177.609 1.562 25786 5986 1 14 . 1 1 86 86 LEU CA C 86 57.804 57.804 56.565 1.239 25786 5987 1 14 . 1 1 86 86 LEU CB C 86 41.915 41.915 41.633 0.282 25786 5988 1 14 . 1 1 86 86 LEU H H 86 8.172 8.172 8.085 0.087 25786 5989 1 14 . 1 1 87 87 MET N N 87 117.874 117.874 115.694 2.180 25786 5990 1 14 . 1 1 87 87 MET HA H 87 3.752 3.752 4.169 -0.417 25786 5991 1 14 . 1 1 87 87 MET C C 87 178.221 178.221 178.339 -0.118 25786 5992 1 14 . 1 1 87 87 MET CA C 87 59.481 59.481 58.402 1.079 25786 5993 1 14 . 1 1 87 87 MET CB C 87 34.875 34.875 33.545 1.330 25786 5994 1 14 . 1 1 87 87 MET H H 87 8.197 8.197 7.272 0.925 25786 5995 1 14 . 1 1 88 88 LEU N N 88 117.598 117.598 122.110 -4.512 25786 5996 1 14 . 1 1 88 88 LEU HA H 88 4.054 4.054 4.172 -0.118 25786 5997 1 14 . 1 1 88 88 LEU C C 88 179.237 179.237 178.772 0.465 25786 5998 1 14 . 1 1 88 88 LEU CA C 88 57.076 57.076 58.477 -1.401 25786 5999 1 14 . 1 1 88 88 LEU CB C 88 42.395 42.395 41.844 0.551 25786 6000 1 14 . 1 1 88 88 LEU H H 88 7.902 7.902 8.396 -0.494 25786 6001 1 14 . 1 1 89 89 SER N N 89 113.195 113.195 112.673 0.522 25786 6002 1 14 . 1 1 89 89 SER HA H 89 4.038 4.038 4.224 -0.186 25786 6003 1 14 . 1 1 89 89 SER C C 89 175.090 175.090 174.965 0.125 25786 6004 1 14 . 1 1 89 89 SER CA C 89 59.901 59.901 60.301 -0.400 25786 6005 1 14 . 1 1 89 89 SER CB C 89 63.834 63.834 63.217 0.617 25786 6006 1 14 . 1 1 89 89 SER H H 89 7.958 7.958 8.107 -0.149 25786 6007 1 14 . 1 1 90 90 ARG N N 90 122.031 122.031 120.944 1.087 25786 6008 1 14 . 1 1 90 90 ARG HA H 90 4.701 4.701 4.323 0.378 25786 6009 1 14 . 1 1 90 90 ARG C C 90 175.695 175.695 175.719 -0.024 25786 6010 1 14 . 1 1 90 90 ARG CA C 90 53.905 53.905 56.549 -2.644 25786 6011 1 14 . 1 1 90 90 ARG CB C 90 29.631 29.631 30.608 -0.977 25786 6012 1 14 . 1 1 90 90 ARG H H 90 7.923 7.923 7.470 0.453 25786 6013 1 14 . 1 1 91 91 SER N N 91 117.191 117.191 118.649 -1.458 25786 6014 1 14 . 1 1 91 91 SER C C 91 172.914 172.914 172.424 0.490 25786 6015 1 14 . 1 1 91 91 SER CA C 91 57.104 57.104 56.277 0.827 25786 6016 1 14 . 1 1 91 91 SER CB C 91 63.437 63.437 63.594 -0.157 25786 6017 1 14 . 1 1 91 91 SER H H 91 7.752 7.752 7.859 -0.107 25786 6018 1 14 . 1 1 92 92 PRO HA H 92 4.420 4.420 4.626 -0.206 25786 6019 1 14 . 1 1 92 92 PRO CA C 92 63.414 63.414 62.558 0.856 25786 6020 1 14 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.214 -0.319 25786 6021 1 15 . 1 1 15 15 ASN N N 15 119.857 119.857 117.390 2.467 25786 6022 1 15 . 1 1 15 15 ASN HA H 15 4.719 4.719 4.564 0.155 25786 6023 1 15 . 1 1 15 15 ASN C C 15 175.735 175.735 175.508 0.227 25786 6024 1 15 . 1 1 15 15 ASN CA C 15 53.556 53.556 53.897 -0.341 25786 6025 1 15 . 1 1 15 15 ASN CB C 15 38.731 38.731 39.037 -0.306 25786 6026 1 15 . 1 1 15 15 ASN H H 15 8.425 8.425 8.482 -0.057 25786 6027 1 15 . 1 1 16 16 ARG N N 16 122.030 122.030 115.576 6.454 25786 6028 1 15 . 1 1 16 16 ARG HA H 16 4.211 4.211 3.890 0.321 25786 6029 1 15 . 1 1 16 16 ARG C C 16 176.669 176.669 177.651 -0.982 25786 6030 1 15 . 1 1 16 16 ARG CA C 16 57.735 57.735 57.285 0.450 25786 6031 1 15 . 1 1 16 16 ARG CB C 16 30.224 30.224 28.832 1.392 25786 6032 1 15 . 1 1 16 16 ARG H H 16 8.347 8.347 8.809 -0.462 25786 6033 1 15 . 1 1 17 17 HIS N N 17 118.590 118.590 119.881 -1.291 25786 6034 1 15 . 1 1 17 17 HIS HA H 17 4.563 4.563 4.400 0.163 25786 6035 1 15 . 1 1 17 17 HIS C C 17 176.284 176.284 177.199 -0.915 25786 6036 1 15 . 1 1 17 17 HIS CA C 17 58.394 58.394 59.635 -1.241 25786 6037 1 15 . 1 1 17 17 HIS CB C 17 30.362 30.362 29.569 0.793 25786 6038 1 15 . 1 1 17 17 HIS H H 17 8.395 8.395 8.510 -0.115 25786 6039 1 15 . 1 1 18 18 ALA N N 18 122.047 122.047 121.720 0.327 25786 6040 1 15 . 1 1 18 18 ALA HA H 18 4.182 4.182 4.209 -0.027 25786 6041 1 15 . 1 1 18 18 ALA C C 18 180.003 180.003 178.484 1.519 25786 6042 1 15 . 1 1 18 18 ALA CA C 18 54.294 54.294 54.172 0.122 25786 6043 1 15 . 1 1 18 18 ALA CB C 18 18.849 18.849 18.075 0.775 25786 6044 1 15 . 1 1 18 18 ALA H H 18 8.436 8.436 8.191 0.245 25786 6045 1 15 . 1 1 19 19 ALA N N 19 122.607 122.607 120.000 2.607 25786 6046 1 15 . 1 1 19 19 ALA HA H 19 4.275 4.275 4.189 0.086 25786 6047 1 15 . 1 1 19 19 ALA C C 19 180.295 180.295 178.709 1.586 25786 6048 1 15 . 1 1 19 19 ALA CA C 19 55.040 55.040 54.669 0.371 25786 6049 1 15 . 1 1 19 19 ALA CB C 19 18.267 18.267 18.832 -0.565 25786 6050 1 15 . 1 1 19 19 ALA H H 19 8.402 8.402 8.127 0.275 25786 6051 1 15 . 1 1 20 20 ASP N N 20 118.796 118.796 118.029 0.767 25786 6052 1 15 . 1 1 20 20 ASP HA H 20 4.837 4.837 4.690 0.147 25786 6053 1 15 . 1 1 20 20 ASP C C 20 177.313 177.313 177.557 -0.244 25786 6054 1 15 . 1 1 20 20 ASP CA C 20 56.725 56.725 56.115 0.610 25786 6055 1 15 . 1 1 20 20 ASP CB C 20 40.189 40.189 41.243 -1.054 25786 6056 1 15 . 1 1 20 20 ASP H H 20 8.317 8.317 8.150 0.167 25786 6057 1 15 . 1 1 21 21 TYR N N 21 120.958 120.958 118.873 2.085 25786 6058 1 15 . 1 1 21 21 TYR HA H 21 4.058 4.058 4.463 -0.405 25786 6059 1 15 . 1 1 21 21 TYR C C 21 176.282 176.282 177.040 -0.758 25786 6060 1 15 . 1 1 21 21 TYR CA C 21 61.892 61.892 60.662 1.230 25786 6061 1 15 . 1 1 21 21 TYR CB C 21 38.655 38.655 38.092 0.563 25786 6062 1 15 . 1 1 21 21 TYR H H 21 8.679 8.679 7.463 1.216 25786 6063 1 15 . 1 1 22 22 GLN N N 22 117.715 117.715 118.961 -1.246 25786 6064 1 15 . 1 1 22 22 GLN HA H 22 3.826 3.826 3.544 0.282 25786 6065 1 15 . 1 1 22 22 GLN C C 22 178.197 178.197 178.138 0.059 25786 6066 1 15 . 1 1 22 22 GLN CA C 22 59.110 59.110 58.779 0.331 25786 6067 1 15 . 1 1 22 22 GLN CB C 22 27.430 27.430 27.799 -0.369 25786 6068 1 15 . 1 1 22 22 GLN H H 22 8.236 8.236 7.690 0.546 25786 6069 1 15 . 1 1 23 23 GLN N N 23 118.526 118.526 119.340 -0.814 25786 6070 1 15 . 1 1 23 23 GLN HA H 23 4.100 4.100 4.304 -0.204 25786 6071 1 15 . 1 1 23 23 GLN C C 23 177.521 177.521 178.810 -1.289 25786 6072 1 15 . 1 1 23 23 GLN CA C 23 58.915 58.915 58.709 0.206 25786 6073 1 15 . 1 1 23 23 GLN CB C 23 29.032 29.032 28.354 0.678 25786 6074 1 15 . 1 1 23 23 GLN H H 23 8.003 8.003 8.115 -0.112 25786 6075 1 15 . 1 1 24 24 LEU N N 24 121.914 121.914 121.358 0.556 25786 6076 1 15 . 1 1 24 24 LEU HA H 24 3.444 3.444 3.260 0.184 25786 6077 1 15 . 1 1 24 24 LEU C C 24 176.882 176.882 178.065 -1.183 25786 6078 1 15 . 1 1 24 24 LEU CA C 24 58.115 58.115 58.191 -0.076 25786 6079 1 15 . 1 1 24 24 LEU CB C 24 41.704 41.704 41.826 -0.122 25786 6080 1 15 . 1 1 24 24 LEU H H 24 8.031 8.031 8.364 -0.333 25786 6081 1 15 . 1 1 25 25 ARG N N 25 116.645 116.645 118.389 -1.744 25786 6082 1 15 . 1 1 25 25 ARG HA H 25 3.395 3.395 3.738 -0.343 25786 6083 1 15 . 1 1 25 25 ARG C C 25 177.469 177.469 178.415 -0.946 25786 6084 1 15 . 1 1 25 25 ARG CA C 25 60.246 60.246 59.414 0.832 25786 6085 1 15 . 1 1 25 25 ARG CB C 25 29.925 29.925 29.908 0.017 25786 6086 1 15 . 1 1 25 25 ARG H H 25 7.981 7.981 7.959 0.022 25786 6087 1 15 . 1 1 26 26 GLU N N 26 115.943 115.943 119.192 -3.249 25786 6088 1 15 . 1 1 26 26 GLU HA H 26 3.832 3.832 3.891 -0.059 25786 6089 1 15 . 1 1 26 26 GLU C C 26 179.682 179.682 178.995 0.687 25786 6090 1 15 . 1 1 26 26 GLU CA C 26 59.517 59.517 59.387 0.130 25786 6091 1 15 . 1 1 26 26 GLU CB C 26 29.439 29.439 29.361 0.078 25786 6092 1 15 . 1 1 26 26 GLU H H 26 8.160 8.160 8.330 -0.170 25786 6093 1 15 . 1 1 27 27 ARG N N 27 118.766 118.766 120.229 -1.463 25786 6094 1 15 . 1 1 27 27 ARG HA H 27 4.144 4.144 4.119 0.025 25786 6095 1 15 . 1 1 27 27 ARG C C 27 179.241 179.241 178.523 0.718 25786 6096 1 15 . 1 1 27 27 ARG CA C 27 58.855 58.855 58.812 0.043 25786 6097 1 15 . 1 1 27 27 ARG CB C 27 29.996 29.996 30.253 -0.257 25786 6098 1 15 . 1 1 27 27 ARG H H 27 8.283 8.283 7.835 0.448 25786 6099 1 15 . 1 1 28 28 LEU N N 28 122.077 122.077 120.916 1.161 25786 6100 1 15 . 1 1 28 28 LEU HA H 28 4.106 4.106 3.963 0.143 25786 6101 1 15 . 1 1 28 28 LEU C C 28 178.766 178.766 179.032 -0.266 25786 6102 1 15 . 1 1 28 28 LEU CA C 28 58.558 58.558 57.864 0.694 25786 6103 1 15 . 1 1 28 28 LEU CB C 28 42.514 42.514 41.556 0.958 25786 6104 1 15 . 1 1 28 28 LEU H H 28 8.389 8.389 8.077 0.312 25786 6105 1 15 . 1 1 29 29 ILE N N 29 117.586 117.586 118.305 -0.719 25786 6106 1 15 . 1 1 29 29 ILE HA H 29 3.339 3.339 3.542 -0.203 25786 6107 1 15 . 1 1 29 29 ILE C C 29 177.927 177.927 177.729 0.198 25786 6108 1 15 . 1 1 29 29 ILE CA C 29 66.203 66.203 65.845 0.358 25786 6109 1 15 . 1 1 29 29 ILE CB C 29 37.823 37.823 37.540 0.283 25786 6110 1 15 . 1 1 29 29 ILE H H 29 7.914 7.914 8.029 -0.115 25786 6111 1 15 . 1 1 30 30 GLN N N 30 116.395 116.395 118.297 -1.902 25786 6112 1 15 . 1 1 30 30 GLN HA H 30 4.157 4.157 4.127 0.030 25786 6113 1 15 . 1 1 30 30 GLN C C 30 179.400 179.400 179.059 0.341 25786 6114 1 15 . 1 1 30 30 GLN CA C 30 58.410 58.410 58.588 -0.178 25786 6115 1 15 . 1 1 30 30 GLN CB C 30 28.804 28.804 28.819 -0.015 25786 6116 1 15 . 1 1 30 30 GLN H H 30 7.287 7.287 7.896 -0.609 25786 6117 1 15 . 1 1 31 31 GLU N N 31 120.336 120.336 121.951 -1.615 25786 6118 1 15 . 1 1 31 31 GLU HA H 31 4.023 4.023 4.158 -0.135 25786 6119 1 15 . 1 1 31 31 GLU C C 31 178.395 178.395 178.164 0.231 25786 6120 1 15 . 1 1 31 31 GLU CA C 31 59.377 59.377 58.959 0.418 25786 6121 1 15 . 1 1 31 31 GLU CB C 31 30.436 30.436 29.672 0.764 25786 6122 1 15 . 1 1 31 31 GLU H H 31 8.814 8.814 8.772 0.042 25786 6123 1 15 . 1 1 32 32 LEU N N 32 115.139 115.139 114.597 0.542 25786 6124 1 15 . 1 1 32 32 LEU HA H 32 4.377 4.377 4.490 -0.113 25786 6125 1 15 . 1 1 32 32 LEU C C 32 176.033 176.033 176.499 -0.466 25786 6126 1 15 . 1 1 32 32 LEU CA C 32 54.101 54.101 54.271 -0.170 25786 6127 1 15 . 1 1 32 32 LEU CB C 32 41.354 41.354 42.501 -1.147 25786 6128 1 15 . 1 1 32 32 LEU H H 32 8.109 8.109 7.970 0.139 25786 6129 1 15 . 1 1 33 33 ASN N N 33 116.751 116.751 117.899 -1.148 25786 6130 1 15 . 1 1 33 33 ASN HA H 33 4.453 4.453 4.390 0.063 25786 6131 1 15 . 1 1 33 33 ASN C C 33 174.288 174.288 174.029 0.259 25786 6132 1 15 . 1 1 33 33 ASN CA C 33 54.024 54.024 54.020 0.004 25786 6133 1 15 . 1 1 33 33 ASN CB C 33 36.929 36.929 37.623 -0.695 25786 6134 1 15 . 1 1 33 33 ASN H H 33 7.796 7.796 7.810 -0.014 25786 6135 1 15 . 1 1 34 34 LEU N N 34 117.139 117.139 119.030 -1.891 25786 6136 1 15 . 1 1 34 34 LEU HA H 34 4.787 4.787 4.774 0.013 25786 6137 1 15 . 1 1 34 34 LEU C C 34 176.521 176.521 175.412 1.109 25786 6138 1 15 . 1 1 34 34 LEU CA C 34 53.079 53.079 53.173 -0.094 25786 6139 1 15 . 1 1 34 34 LEU CB C 34 44.673 44.673 47.275 -2.602 25786 6140 1 15 . 1 1 34 34 LEU H H 34 7.728 7.728 8.571 -0.843 25786 6141 1 15 . 1 1 35 35 THR N N 35 110.751 110.751 110.402 0.349 25786 6142 1 15 . 1 1 35 35 THR HA H 35 4.803 4.803 4.859 -0.056 25786 6143 1 15 . 1 1 35 35 THR C C 35 174.438 174.438 173.754 0.684 25786 6144 1 15 . 1 1 35 35 THR CA C 35 59.445 59.445 58.745 0.700 25786 6145 1 15 . 1 1 35 35 THR CB C 35 68.651 68.651 69.466 -0.815 25786 6146 1 15 . 1 1 35 35 THR H H 35 8.001 8.001 8.108 -0.107 25786 6147 1 15 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.214 -0.137 25786 6148 1 15 . 1 1 36 36 PRO CA C 36 65.645 65.645 65.603 0.041 25786 6149 1 15 . 1 1 36 36 PRO CB C 36 31.632 31.632 31.658 -0.026 25786 6150 1 15 . 1 1 37 37 GLN N N 37 112.874 112.874 113.730 -0.856 25786 6151 1 15 . 1 1 37 37 GLN HA H 37 4.105 4.105 4.258 -0.153 25786 6152 1 15 . 1 1 37 37 GLN C C 37 176.960 176.960 176.555 0.405 25786 6153 1 15 . 1 1 37 37 GLN CA C 37 57.891 57.891 56.892 0.998 25786 6154 1 15 . 1 1 37 37 GLN CB C 37 27.902 27.902 28.126 -0.224 25786 6155 1 15 . 1 1 37 37 GLN H H 37 8.005 8.005 8.466 -0.461 25786 6156 1 15 . 1 1 38 38 GLN N N 38 116.477 116.477 117.012 -0.535 25786 6157 1 15 . 1 1 38 38 GLN HA H 38 4.187 4.187 4.415 -0.228 25786 6158 1 15 . 1 1 38 38 GLN C C 38 175.508 175.508 175.775 -0.267 25786 6159 1 15 . 1 1 38 38 GLN CA C 38 56.398 56.398 55.765 0.633 25786 6160 1 15 . 1 1 38 38 GLN CB C 38 31.126 31.126 29.949 1.177 25786 6161 1 15 . 1 1 38 38 GLN H H 38 7.663 7.663 7.751 -0.088 25786 6162 1 15 . 1 1 39 39 LEU N N 39 120.726 120.726 122.197 -1.471 25786 6163 1 15 . 1 1 39 39 LEU HA H 39 4.371 4.371 4.761 -0.390 25786 6164 1 15 . 1 1 39 39 LEU C C 39 174.277 174.277 175.239 -0.962 25786 6165 1 15 . 1 1 39 39 LEU CA C 39 53.959 53.959 54.047 -0.088 25786 6166 1 15 . 1 1 39 39 LEU CB C 39 41.610 41.610 42.952 -1.342 25786 6167 1 15 . 1 1 39 39 LEU H H 39 7.286 7.286 7.350 -0.064 25786 6168 1 15 . 1 1 40 40 HIS N N 40 124.680 124.680 121.004 3.676 25786 6169 1 15 . 1 1 40 40 HIS HA H 40 4.808 4.808 4.689 0.119 25786 6170 1 15 . 1 1 40 40 HIS C C 40 176.727 176.727 175.618 1.109 25786 6171 1 15 . 1 1 40 40 HIS CA C 40 54.762 54.762 54.743 0.019 25786 6172 1 15 . 1 1 40 40 HIS CB C 40 31.521 31.521 31.187 0.334 25786 6173 1 15 . 1 1 40 40 HIS H H 40 8.158 8.158 8.231 -0.073 25786 6174 1 15 . 1 1 41 41 GLU HA H 41 4.029 4.029 4.118 -0.089 25786 6175 1 15 . 1 1 42 42 GLU N N 42 113.813 113.813 119.093 -5.280 25786 6176 1 15 . 1 1 42 42 GLU HA H 42 4.547 4.547 4.223 0.324 25786 6177 1 15 . 1 1 42 42 GLU C C 42 176.680 176.680 176.261 0.419 25786 6178 1 15 . 1 1 42 42 GLU CA C 42 55.313 55.313 56.406 -1.093 25786 6179 1 15 . 1 1 42 42 GLU CB C 42 29.165 29.165 29.080 0.085 25786 6180 1 15 . 1 1 42 42 GLU H H 42 8.808 8.808 8.238 0.570 25786 6181 1 15 . 1 1 43 43 SER N N 43 118.066 118.066 116.945 1.121 25786 6182 1 15 . 1 1 43 43 SER HA H 43 4.088 4.088 4.038 0.050 25786 6183 1 15 . 1 1 43 43 SER C C 43 173.663 173.663 173.864 -0.201 25786 6184 1 15 . 1 1 43 43 SER CA C 43 60.156 60.156 58.932 1.224 25786 6185 1 15 . 1 1 43 43 SER CB C 43 62.827 62.827 63.313 -0.486 25786 6186 1 15 . 1 1 43 43 SER H H 43 7.485 7.485 7.068 0.417 25786 6187 1 15 . 1 1 44 44 ASN N N 44 123.218 123.218 122.643 0.575 25786 6188 1 15 . 1 1 44 44 ASN HA H 44 4.392 4.392 5.004 -0.612 25786 6189 1 15 . 1 1 44 44 ASN C C 44 176.926 176.926 176.365 0.561 25786 6190 1 15 . 1 1 44 44 ASN CA C 44 53.987 53.987 53.403 0.584 25786 6191 1 15 . 1 1 44 44 ASN CB C 44 38.433 38.433 39.401 -0.968 25786 6192 1 15 . 1 1 44 44 ASN H H 44 8.811 8.811 8.529 0.282 25786 6193 1 15 . 1 1 45 45 LEU N N 45 128.735 128.735 124.738 3.997 25786 6194 1 15 . 1 1 45 45 LEU HA H 45 3.722 3.722 3.972 -0.250 25786 6195 1 15 . 1 1 45 45 LEU C C 45 178.143 178.143 178.481 -0.338 25786 6196 1 15 . 1 1 45 45 LEU CA C 45 57.149 57.149 56.681 0.468 25786 6197 1 15 . 1 1 45 45 LEU CB C 45 42.250 42.250 41.927 0.323 25786 6198 1 15 . 1 1 45 45 LEU H H 45 9.385 9.385 8.455 0.930 25786 6199 1 15 . 1 1 46 46 ILE N N 46 119.379 119.379 119.619 -0.240 25786 6200 1 15 . 1 1 46 46 ILE HA H 46 4.187 4.187 4.081 0.106 25786 6201 1 15 . 1 1 46 46 ILE C C 46 180.926 180.926 179.101 1.825 25786 6202 1 15 . 1 1 46 46 ILE CA C 46 63.814 63.814 64.527 -0.713 25786 6203 1 15 . 1 1 46 46 ILE CB C 46 36.709 36.709 37.804 -1.095 25786 6204 1 15 . 1 1 46 46 ILE H H 46 7.659 7.659 7.640 0.019 25786 6205 1 15 . 1 1 47 47 GLN N N 47 121.737 121.737 118.081 3.656 25786 6206 1 15 . 1 1 47 47 GLN HA H 47 3.989 3.989 4.173 -0.184 25786 6207 1 15 . 1 1 47 47 GLN C C 47 177.739 177.739 176.508 1.231 25786 6208 1 15 . 1 1 47 47 GLN CA C 47 58.033 58.033 57.696 0.337 25786 6209 1 15 . 1 1 47 47 GLN CB C 47 27.985 27.985 27.873 0.112 25786 6210 1 15 . 1 1 47 47 GLN H H 47 8.161 8.161 8.367 -0.206 25786 6211 1 15 . 1 1 48 48 ALA N N 48 117.777 117.777 119.583 -1.806 25786 6212 1 15 . 1 1 48 48 ALA HA H 48 4.260 4.260 4.472 -0.212 25786 6213 1 15 . 1 1 48 48 ALA C C 48 176.582 176.582 177.530 -0.948 25786 6214 1 15 . 1 1 48 48 ALA CA C 48 52.710 52.710 51.571 1.139 25786 6215 1 15 . 1 1 48 48 ALA CB C 48 18.601 18.601 19.391 -0.790 25786 6216 1 15 . 1 1 48 48 ALA H H 48 7.448 7.448 7.339 0.109 25786 6217 1 15 . 1 1 49 49 GLY N N 49 102.932 102.932 106.880 -3.948 25786 6218 1 15 . 1 1 49 49 GLY C C 49 174.451 174.451 173.308 1.143 25786 6219 1 15 . 1 1 49 49 GLY CA C 49 44.967 44.967 44.936 0.031 25786 6220 1 15 . 1 1 49 49 GLY H H 49 7.445 7.445 7.824 -0.379 25786 6221 1 15 . 1 1 50 50 LEU N N 50 123.058 123.058 121.661 1.397 25786 6222 1 15 . 1 1 50 50 LEU HA H 50 4.257 4.257 4.836 -0.579 25786 6223 1 15 . 1 1 50 50 LEU C C 50 173.460 173.460 175.166 -1.706 25786 6224 1 15 . 1 1 50 50 LEU CA C 50 55.909 55.909 53.188 2.721 25786 6225 1 15 . 1 1 50 50 LEU CB C 50 41.454 41.454 44.660 -3.206 25786 6226 1 15 . 1 1 50 50 LEU H H 50 8.545 8.545 7.345 1.200 25786 6227 1 15 . 1 1 54 54 ARG N N 54 121.407 121.407 122.021 -0.614 25786 6228 1 15 . 1 1 54 54 ARG HA H 54 4.088 4.088 3.883 0.205 25786 6229 1 15 . 1 1 54 54 ARG C C 54 179.647 179.647 177.742 1.905 25786 6230 1 15 . 1 1 54 54 ARG CA C 54 59.615 59.615 59.090 0.525 25786 6231 1 15 . 1 1 54 54 ARG CB C 54 30.633 30.633 30.840 -0.207 25786 6232 1 15 . 1 1 54 54 ARG H H 54 8.412 8.412 9.061 -0.649 25786 6233 1 15 . 1 1 55 55 LEU N N 55 121.118 121.118 121.741 -0.623 25786 6234 1 15 . 1 1 55 55 LEU HA H 55 4.332 4.332 4.394 -0.062 25786 6235 1 15 . 1 1 55 55 LEU C C 55 178.416 178.416 178.341 0.075 25786 6236 1 15 . 1 1 55 55 LEU CA C 55 59.035 59.035 58.599 0.436 25786 6237 1 15 . 1 1 55 55 LEU CB C 55 41.718 41.718 41.203 0.515 25786 6238 1 15 . 1 1 55 55 LEU H H 55 9.050 9.050 8.111 0.939 25786 6239 1 15 . 1 1 56 56 MET N N 56 117.969 117.969 117.243 0.726 25786 6240 1 15 . 1 1 56 56 MET HA H 56 4.284 4.284 4.193 0.091 25786 6241 1 15 . 1 1 56 56 MET C C 56 178.301 178.301 178.370 -0.069 25786 6242 1 15 . 1 1 56 56 MET CA C 56 57.927 57.927 57.943 -0.016 25786 6243 1 15 . 1 1 56 56 MET CB C 56 31.317 31.317 31.535 -0.218 25786 6244 1 15 . 1 1 56 56 MET H H 56 7.875 7.875 7.958 -0.083 25786 6245 1 15 . 1 1 57 57 ARG N N 57 119.532 119.532 119.528 0.004 25786 6246 1 15 . 1 1 57 57 ARG HA H 57 4.096 4.096 3.932 0.164 25786 6247 1 15 . 1 1 57 57 ARG C C 57 180.458 180.458 178.996 1.462 25786 6248 1 15 . 1 1 57 57 ARG CA C 57 59.770 59.770 60.123 -0.353 25786 6249 1 15 . 1 1 57 57 ARG CB C 57 29.520 29.520 29.733 -0.212 25786 6250 1 15 . 1 1 57 57 ARG H H 57 7.609 7.609 8.196 -0.587 25786 6251 1 15 . 1 1 58 58 TRP N N 58 121.820 121.820 119.871 1.949 25786 6252 1 15 . 1 1 58 58 TRP HA H 58 4.465 4.465 4.302 0.163 25786 6253 1 15 . 1 1 58 58 TRP C C 58 177.973 177.973 178.251 -0.278 25786 6254 1 15 . 1 1 58 58 TRP CA C 58 61.063 61.063 59.840 1.223 25786 6255 1 15 . 1 1 58 58 TRP CB C 58 28.348 28.348 29.415 -1.067 25786 6256 1 15 . 1 1 58 58 TRP H H 58 8.207 8.207 8.314 -0.107 25786 6257 1 15 . 1 1 59 59 LEU N N 59 121.654 121.654 120.654 1.000 25786 6258 1 15 . 1 1 59 59 LEU HA H 59 4.274 4.274 4.181 0.093 25786 6259 1 15 . 1 1 59 59 LEU C C 59 178.823 178.823 178.038 0.785 25786 6260 1 15 . 1 1 59 59 LEU CA C 59 59.044 59.044 57.052 1.992 25786 6261 1 15 . 1 1 59 59 LEU CB C 59 40.851 40.851 41.094 -0.243 25786 6262 1 15 . 1 1 59 59 LEU H H 59 8.599 8.599 8.165 0.434 25786 6263 1 15 . 1 1 60 60 HIS N N 60 116.952 116.952 119.955 -3.003 25786 6264 1 15 . 1 1 60 60 HIS HA H 60 4.389 4.389 4.202 0.187 25786 6265 1 15 . 1 1 60 60 HIS C C 60 177.635 177.635 177.015 0.620 25786 6266 1 15 . 1 1 60 60 HIS CA C 60 59.755 59.755 60.776 -1.021 25786 6267 1 15 . 1 1 60 60 HIS CB C 60 30.083 30.083 30.463 -0.380 25786 6268 1 15 . 1 1 60 60 HIS H H 60 7.909 7.909 8.920 -1.011 25786 6269 1 15 . 1 1 61 61 TRP N N 61 123.194 123.194 121.805 1.389 25786 6270 1 15 . 1 1 61 61 TRP HA H 61 4.032 4.032 4.141 -0.109 25786 6271 1 15 . 1 1 61 61 TRP C C 61 179.298 179.298 178.097 1.201 25786 6272 1 15 . 1 1 61 61 TRP CA C 61 62.541 62.541 61.375 1.166 25786 6273 1 15 . 1 1 61 61 TRP CB C 61 28.839 28.839 28.902 -0.063 25786 6274 1 15 . 1 1 61 61 TRP H H 61 8.142 8.142 7.975 0.167 25786 6275 1 15 . 1 1 62 62 PHE N N 62 120.038 120.038 116.821 3.217 25786 6276 1 15 . 1 1 62 62 PHE HA H 62 4.205 4.205 3.722 0.483 25786 6277 1 15 . 1 1 62 62 PHE C C 62 179.080 179.080 178.563 0.517 25786 6278 1 15 . 1 1 62 62 PHE CA C 62 63.629 63.629 60.425 3.204 25786 6279 1 15 . 1 1 62 62 PHE CB C 62 38.664 38.664 37.785 0.879 25786 6280 1 15 . 1 1 62 62 PHE H H 62 9.447 9.447 8.056 1.391 25786 6281 1 15 . 1 1 63 63 ARG N N 63 118.560 118.560 119.269 -0.709 25786 6282 1 15 . 1 1 63 63 ARG HA H 63 4.258 4.258 4.302 -0.044 25786 6283 1 15 . 1 1 63 63 ARG C C 63 181.328 181.328 179.362 1.966 25786 6284 1 15 . 1 1 63 63 ARG CA C 63 59.257 59.257 57.900 1.357 25786 6285 1 15 . 1 1 63 63 ARG CB C 63 29.697 29.697 29.413 0.284 25786 6286 1 15 . 1 1 63 63 ARG H H 63 8.665 8.665 8.701 -0.036 25786 6287 1 15 . 1 1 64 64 LYS N N 64 122.759 122.759 118.374 4.385 25786 6288 1 15 . 1 1 64 64 LYS HA H 64 4.019 4.019 4.112 -0.093 25786 6289 1 15 . 1 1 64 64 LYS C C 64 177.595 177.595 176.992 0.603 25786 6290 1 15 . 1 1 64 64 LYS CA C 64 58.651 58.651 57.827 0.824 25786 6291 1 15 . 1 1 64 64 LYS CB C 64 31.510 31.510 31.937 -0.427 25786 6292 1 15 . 1 1 64 64 LYS H H 64 8.690 8.690 7.980 0.710 25786 6293 1 15 . 1 1 65 65 ASN N N 65 115.681 115.681 115.671 0.010 25786 6294 1 15 . 1 1 65 65 ASN HA H 65 4.532 4.532 4.823 -0.291 25786 6295 1 15 . 1 1 65 65 ASN C C 65 173.405 173.405 174.831 -1.426 25786 6296 1 15 . 1 1 65 65 ASN CA C 65 53.685 53.685 51.892 1.793 25786 6297 1 15 . 1 1 65 65 ASN CB C 65 39.038 39.038 38.901 0.137 25786 6298 1 15 . 1 1 65 65 ASN H H 65 7.246 7.246 7.566 -0.320 25786 6299 1 15 . 1 1 66 66 GLY N N 66 105.186 105.186 106.070 -0.884 25786 6300 1 15 . 1 1 66 66 GLY C C 66 173.869 173.869 174.013 -0.144 25786 6301 1 15 . 1 1 66 66 GLY CA C 66 45.539 45.539 45.223 0.316 25786 6302 1 15 . 1 1 66 66 GLY H H 66 7.603 7.603 7.794 -0.191 25786 6303 1 15 . 1 1 67 67 TYR N N 67 119.699 119.699 120.505 -0.806 25786 6304 1 15 . 1 1 67 67 TYR HA H 67 4.542 4.542 4.197 0.345 25786 6305 1 15 . 1 1 67 67 TYR C C 67 175.838 175.838 175.612 0.226 25786 6306 1 15 . 1 1 67 67 TYR CA C 67 57.858 57.858 57.788 0.070 25786 6307 1 15 . 1 1 67 67 TYR CB C 67 38.564 38.564 38.655 -0.091 25786 6308 1 15 . 1 1 67 67 TYR H H 67 8.248 8.248 8.364 -0.116 25786 6309 1 15 . 1 1 68 68 ARG N N 68 125.588 125.588 125.867 -0.279 25786 6310 1 15 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.373 0.016 25786 6311 1 15 . 1 1 68 68 ARG C C 68 174.479 174.479 174.363 0.116 25786 6312 1 15 . 1 1 68 68 ARG CA C 68 55.649 55.649 56.246 -0.597 25786 6313 1 15 . 1 1 68 68 ARG CB C 68 28.357 28.357 28.559 -0.202 25786 6314 1 15 . 1 1 68 68 ARG H H 68 8.550 8.550 8.936 -0.386 25786 6315 1 15 . 1 1 69 69 LEU N N 69 122.034 122.034 123.441 -1.407 25786 6316 1 15 . 1 1 69 69 LEU HA H 69 4.711 4.711 4.826 -0.115 25786 6317 1 15 . 1 1 69 69 LEU C C 69 175.630 175.630 176.142 -0.512 25786 6318 1 15 . 1 1 69 69 LEU CA C 69 53.367 53.367 53.887 -0.520 25786 6319 1 15 . 1 1 69 69 LEU CB C 69 44.286 44.286 46.653 -2.367 25786 6320 1 15 . 1 1 69 69 LEU H H 69 7.421 7.421 8.062 -0.641 25786 6321 1 15 . 1 1 70 70 THR N N 70 109.789 109.789 117.214 -7.425 25786 6322 1 15 . 1 1 70 70 THR HA H 70 4.721 4.721 4.776 -0.055 25786 6323 1 15 . 1 1 70 70 THR C C 70 174.636 174.636 174.763 -0.127 25786 6324 1 15 . 1 1 70 70 THR CA C 70 59.377 59.377 61.084 -1.707 25786 6325 1 15 . 1 1 70 70 THR CB C 70 72.180 72.180 71.632 0.548 25786 6326 1 15 . 1 1 70 70 THR H H 70 8.163 8.163 9.477 -1.314 25786 6327 1 15 . 1 1 71 71 LEU N N 71 122.563 122.563 124.141 -1.578 25786 6328 1 15 . 1 1 71 71 LEU HA H 71 3.885 3.885 4.221 -0.336 25786 6329 1 15 . 1 1 71 71 LEU C C 71 178.632 178.632 177.780 0.852 25786 6330 1 15 . 1 1 71 71 LEU CA C 71 58.196 58.196 58.266 -0.070 25786 6331 1 15 . 1 1 71 71 LEU CB C 71 41.940 41.940 42.018 -0.078 25786 6332 1 15 . 1 1 71 71 LEU H H 71 8.825 8.825 8.732 0.093 25786 6333 1 15 . 1 1 72 72 ARG N N 72 115.949 115.949 117.076 -1.127 25786 6334 1 15 . 1 1 72 72 ARG HA H 72 3.876 3.876 4.290 -0.414 25786 6335 1 15 . 1 1 72 72 ARG C C 72 178.893 178.893 179.026 -0.133 25786 6336 1 15 . 1 1 72 72 ARG CA C 72 59.147 59.147 59.023 0.124 25786 6337 1 15 . 1 1 72 72 ARG CB C 72 29.631 29.631 29.056 0.575 25786 6338 1 15 . 1 1 72 72 ARG H H 72 8.244 8.244 8.675 -0.431 25786 6339 1 15 . 1 1 73 73 GLU N N 73 117.665 117.665 120.121 -2.456 25786 6340 1 15 . 1 1 73 73 GLU HA H 73 3.951 3.951 4.163 -0.212 25786 6341 1 15 . 1 1 73 73 GLU C C 73 178.762 178.762 179.178 -0.416 25786 6342 1 15 . 1 1 73 73 GLU CA C 73 59.092 59.092 59.627 -0.535 25786 6343 1 15 . 1 1 73 73 GLU CB C 73 29.739 29.739 28.674 1.065 25786 6344 1 15 . 1 1 73 73 GLU H H 73 7.461 7.461 8.113 -0.652 25786 6345 1 15 . 1 1 74 74 LEU N N 74 117.724 117.724 119.872 -2.148 25786 6346 1 15 . 1 1 74 74 LEU HA H 74 3.898 3.898 4.233 -0.335 25786 6347 1 15 . 1 1 74 74 LEU C C 74 179.355 179.355 179.844 -0.489 25786 6348 1 15 . 1 1 74 74 LEU CA C 74 57.469 57.469 57.435 0.034 25786 6349 1 15 . 1 1 74 74 LEU CB C 74 41.619 41.619 41.532 0.087 25786 6350 1 15 . 1 1 74 74 LEU H H 74 7.413 7.413 7.476 -0.063 25786 6351 1 15 . 1 1 75 75 TYR N N 75 114.976 114.976 121.142 -6.166 25786 6352 1 15 . 1 1 75 75 TYR HA H 75 4.054 4.054 4.357 -0.303 25786 6353 1 15 . 1 1 75 75 TYR C C 75 176.656 176.656 177.082 -0.426 25786 6354 1 15 . 1 1 75 75 TYR CA C 75 60.638 60.638 60.037 0.601 25786 6355 1 15 . 1 1 75 75 TYR CB C 75 39.688 39.688 38.147 1.542 25786 6356 1 15 . 1 1 75 75 TYR H H 75 8.086 8.086 8.395 -0.309 25786 6357 1 15 . 1 1 76 76 ALA N N 76 119.116 119.116 121.103 -1.987 25786 6358 1 15 . 1 1 76 76 ALA HA H 76 4.052 4.052 4.236 -0.184 25786 6359 1 15 . 1 1 76 76 ALA C C 76 178.156 178.156 177.053 1.103 25786 6360 1 15 . 1 1 76 76 ALA CA C 76 54.468 54.468 53.311 1.157 25786 6361 1 15 . 1 1 76 76 ALA CB C 76 18.535 18.535 19.573 -1.038 25786 6362 1 15 . 1 1 76 76 ALA H H 76 7.776 7.776 7.887 -0.111 25786 6363 1 15 . 1 1 77 77 ALA N N 77 116.862 116.862 120.786 -3.924 25786 6364 1 15 . 1 1 77 77 ALA C C 77 173.737 173.737 174.734 -0.997 25786 6365 1 15 . 1 1 77 77 ALA CA C 77 49.713 49.713 49.297 0.416 25786 6366 1 15 . 1 1 77 77 ALA CB C 77 19.226 19.226 19.400 -0.174 25786 6367 1 15 . 1 1 77 77 ALA H H 77 6.706 6.706 7.807 -1.101 25786 6368 1 15 . 1 1 78 78 PRO HA H 78 5.018 5.018 5.110 -0.092 25786 6369 1 15 . 1 1 78 78 PRO CA C 78 61.523 61.523 62.568 -1.045 25786 6370 1 15 . 1 1 78 78 PRO CB C 78 28.845 28.845 30.411 -1.566 25786 6371 1 15 . 1 1 79 79 THR N N 79 111.947 111.947 113.755 -1.808 25786 6372 1 15 . 1 1 79 79 THR HA H 79 4.396 4.396 4.894 -0.498 25786 6373 1 15 . 1 1 79 79 THR C C 79 173.000 173.000 174.612 -1.612 25786 6374 1 15 . 1 1 79 79 THR CA C 79 58.059 58.059 59.550 -1.491 25786 6375 1 15 . 1 1 79 79 THR CB C 79 72.247 72.247 72.721 -0.474 25786 6376 1 15 . 1 1 79 79 THR H H 79 7.664 7.664 7.702 -0.038 25786 6377 1 15 . 1 1 80 80 LEU N N 80 123.227 123.227 123.831 -0.604 25786 6378 1 15 . 1 1 80 80 LEU HA H 80 3.747 3.747 4.099 -0.352 25786 6379 1 15 . 1 1 80 80 LEU C C 80 179.028 179.028 177.864 1.164 25786 6380 1 15 . 1 1 80 80 LEU CA C 80 58.209 58.209 56.551 1.657 25786 6381 1 15 . 1 1 80 80 LEU CB C 80 41.579 41.579 41.178 0.401 25786 6382 1 15 . 1 1 80 80 LEU H H 80 9.609 9.609 8.718 0.891 25786 6383 1 15 . 1 1 81 81 ALA N N 81 119.663 119.663 122.231 -2.568 25786 6384 1 15 . 1 1 81 81 ALA HA H 81 4.141 4.141 4.339 -0.198 25786 6385 1 15 . 1 1 81 81 ALA C C 81 181.038 181.038 179.318 1.720 25786 6386 1 15 . 1 1 81 81 ALA CA C 81 54.876 54.876 55.077 -0.201 25786 6387 1 15 . 1 1 81 81 ALA CB C 81 18.428 18.428 18.227 0.201 25786 6388 1 15 . 1 1 81 81 ALA H H 81 8.831 8.831 8.552 0.279 25786 6389 1 15 . 1 1 82 82 ALA N N 82 122.181 122.181 121.611 0.570 25786 6390 1 15 . 1 1 82 82 ALA HA H 82 4.225 4.225 4.174 0.051 25786 6391 1 15 . 1 1 82 82 ALA C C 82 181.868 181.868 179.746 2.122 25786 6392 1 15 . 1 1 82 82 ALA CA C 82 54.808 54.808 54.884 -0.076 25786 6393 1 15 . 1 1 82 82 ALA CB C 82 19.088 19.088 18.354 0.734 25786 6394 1 15 . 1 1 82 82 ALA H H 82 8.272 8.272 7.597 0.675 25786 6395 1 15 . 1 1 83 83 TRP N N 83 123.399 123.399 119.461 3.938 25786 6396 1 15 . 1 1 83 83 TRP HA H 83 4.543 4.543 4.269 0.274 25786 6397 1 15 . 1 1 83 83 TRP C C 83 178.633 178.633 178.595 0.038 25786 6398 1 15 . 1 1 83 83 TRP CA C 83 59.562 59.562 59.416 0.146 25786 6399 1 15 . 1 1 83 83 TRP CB C 83 28.301 28.301 28.500 -0.199 25786 6400 1 15 . 1 1 83 83 TRP H H 83 9.378 9.378 8.233 1.145 25786 6401 1 15 . 1 1 84 84 ASN N N 84 118.250 118.250 116.996 1.254 25786 6402 1 15 . 1 1 84 84 ASN HA H 84 4.616 4.616 4.242 0.374 25786 6403 1 15 . 1 1 84 84 ASN C C 84 177.231 177.231 177.644 -0.413 25786 6404 1 15 . 1 1 84 84 ASN CA C 84 57.096 57.096 56.351 0.745 25786 6405 1 15 . 1 1 84 84 ASN CB C 84 39.229 39.229 37.739 1.490 25786 6406 1 15 . 1 1 84 84 ASN H H 84 9.136 9.136 8.552 0.584 25786 6407 1 15 . 1 1 85 85 GLN N N 85 116.261 116.261 119.843 -3.582 25786 6408 1 15 . 1 1 85 85 GLN HA H 85 4.011 4.011 4.036 -0.025 25786 6409 1 15 . 1 1 85 85 GLN C C 85 179.455 179.455 178.206 1.249 25786 6410 1 15 . 1 1 85 85 GLN CA C 85 58.748 58.748 59.056 -0.308 25786 6411 1 15 . 1 1 85 85 GLN CB C 85 27.840 27.840 28.482 -0.641 25786 6412 1 15 . 1 1 85 85 GLN H H 85 7.511 7.511 8.095 -0.584 25786 6413 1 15 . 1 1 86 86 LEU N N 86 121.554 121.554 118.301 3.253 25786 6414 1 15 . 1 1 86 86 LEU HA H 86 4.041 4.041 4.007 0.034 25786 6415 1 15 . 1 1 86 86 LEU C C 86 179.171 179.171 177.976 1.195 25786 6416 1 15 . 1 1 86 86 LEU CA C 86 57.804 57.804 56.904 0.900 25786 6417 1 15 . 1 1 86 86 LEU CB C 86 41.915 41.915 41.509 0.406 25786 6418 1 15 . 1 1 86 86 LEU H H 86 8.172 8.172 8.217 -0.045 25786 6419 1 15 . 1 1 87 87 MET N N 87 117.874 117.874 115.099 2.775 25786 6420 1 15 . 1 1 87 87 MET HA H 87 3.752 3.752 4.396 -0.644 25786 6421 1 15 . 1 1 87 87 MET C C 87 178.221 178.221 178.525 -0.304 25786 6422 1 15 . 1 1 87 87 MET CA C 87 59.481 59.481 55.974 3.507 25786 6423 1 15 . 1 1 87 87 MET CB C 87 34.875 34.875 32.987 1.888 25786 6424 1 15 . 1 1 87 87 MET H H 87 8.197 8.197 7.485 0.712 25786 6425 1 15 . 1 1 88 88 LEU N N 88 117.598 117.598 123.281 -5.683 25786 6426 1 15 . 1 1 88 88 LEU HA H 88 4.054 4.054 4.178 -0.124 25786 6427 1 15 . 1 1 88 88 LEU C C 88 179.237 179.237 178.560 0.677 25786 6428 1 15 . 1 1 88 88 LEU CA C 88 57.076 57.076 58.016 -0.940 25786 6429 1 15 . 1 1 88 88 LEU CB C 88 42.395 42.395 41.691 0.704 25786 6430 1 15 . 1 1 88 88 LEU H H 88 7.902 7.902 8.284 -0.382 25786 6431 1 15 . 1 1 89 89 SER N N 89 113.195 113.195 112.025 1.170 25786 6432 1 15 . 1 1 89 89 SER HA H 89 4.038 4.038 4.284 -0.246 25786 6433 1 15 . 1 1 89 89 SER C C 89 175.090 175.090 174.884 0.206 25786 6434 1 15 . 1 1 89 89 SER CA C 89 59.901 59.901 60.158 -0.257 25786 6435 1 15 . 1 1 89 89 SER CB C 89 63.834 63.834 63.043 0.791 25786 6436 1 15 . 1 1 89 89 SER H H 89 7.958 7.958 8.329 -0.371 25786 6437 1 15 . 1 1 90 90 ARG N N 90 122.031 122.031 118.189 3.842 25786 6438 1 15 . 1 1 90 90 ARG HA H 90 4.701 4.701 4.420 0.281 25786 6439 1 15 . 1 1 90 90 ARG C C 90 175.695 175.695 176.080 -0.385 25786 6440 1 15 . 1 1 90 90 ARG CA C 90 53.905 53.905 54.976 -1.071 25786 6441 1 15 . 1 1 90 90 ARG CB C 90 29.631 29.631 30.796 -1.165 25786 6442 1 15 . 1 1 90 90 ARG H H 90 7.923 7.923 7.760 0.163 25786 6443 1 15 . 1 1 91 91 SER N N 91 117.191 117.191 117.593 -0.402 25786 6444 1 15 . 1 1 91 91 SER C C 91 172.914 172.914 172.299 0.615 25786 6445 1 15 . 1 1 91 91 SER CA C 91 57.104 57.104 56.359 0.745 25786 6446 1 15 . 1 1 91 91 SER CB C 91 63.437 63.437 64.230 -0.793 25786 6447 1 15 . 1 1 91 91 SER H H 91 7.752 7.752 7.772 -0.020 25786 6448 1 15 . 1 1 92 92 PRO HA H 92 4.420 4.420 4.813 -0.393 25786 6449 1 15 . 1 1 92 92 PRO CA C 92 63.414 63.414 62.180 1.234 25786 6450 1 15 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.463 -0.568 25786 6451 1 16 . 1 1 15 15 ASN N N 15 119.857 119.857 118.752 1.105 25786 6452 1 16 . 1 1 15 15 ASN HA H 15 4.719 4.719 4.610 0.109 25786 6453 1 16 . 1 1 15 15 ASN C C 15 175.735 175.735 174.874 0.861 25786 6454 1 16 . 1 1 15 15 ASN CA C 15 53.556 53.556 53.593 -0.037 25786 6455 1 16 . 1 1 15 15 ASN CB C 15 38.731 38.731 39.370 -0.639 25786 6456 1 16 . 1 1 15 15 ASN H H 15 8.425 8.425 8.428 -0.003 25786 6457 1 16 . 1 1 16 16 ARG N N 16 122.030 122.030 114.102 7.928 25786 6458 1 16 . 1 1 16 16 ARG HA H 16 4.211 4.211 3.763 0.448 25786 6459 1 16 . 1 1 16 16 ARG C C 16 176.669 176.669 177.087 -0.418 25786 6460 1 16 . 1 1 16 16 ARG CA C 16 57.735 57.735 57.245 0.490 25786 6461 1 16 . 1 1 16 16 ARG CB C 16 30.224 30.224 29.063 1.161 25786 6462 1 16 . 1 1 16 16 ARG H H 16 8.347 8.347 7.503 0.844 25786 6463 1 16 . 1 1 17 17 HIS N N 17 118.590 118.590 120.489 -1.899 25786 6464 1 16 . 1 1 17 17 HIS HA H 17 4.563 4.563 4.357 0.206 25786 6465 1 16 . 1 1 17 17 HIS C C 17 176.284 176.284 177.696 -1.412 25786 6466 1 16 . 1 1 17 17 HIS CA C 17 58.394 58.394 59.667 -1.273 25786 6467 1 16 . 1 1 17 17 HIS CB C 17 30.362 30.362 29.160 1.202 25786 6468 1 16 . 1 1 17 17 HIS H H 17 8.395 8.395 8.324 0.071 25786 6469 1 16 . 1 1 18 18 ALA N N 18 122.047 122.047 122.949 -0.902 25786 6470 1 16 . 1 1 18 18 ALA HA H 18 4.182 4.182 4.330 -0.148 25786 6471 1 16 . 1 1 18 18 ALA C C 18 180.003 180.003 179.040 0.963 25786 6472 1 16 . 1 1 18 18 ALA CA C 18 54.294 54.294 54.342 -0.048 25786 6473 1 16 . 1 1 18 18 ALA CB C 18 18.849 18.849 17.720 1.129 25786 6474 1 16 . 1 1 18 18 ALA H H 18 8.436 8.436 8.590 -0.154 25786 6475 1 16 . 1 1 19 19 ALA N N 19 122.607 122.607 120.926 1.681 25786 6476 1 16 . 1 1 19 19 ALA HA H 19 4.275 4.275 4.185 0.090 25786 6477 1 16 . 1 1 19 19 ALA C C 19 180.295 180.295 179.333 0.962 25786 6478 1 16 . 1 1 19 19 ALA CA C 19 55.040 55.040 54.490 0.550 25786 6479 1 16 . 1 1 19 19 ALA CB C 19 18.267 18.267 18.615 -0.348 25786 6480 1 16 . 1 1 19 19 ALA H H 19 8.402 8.402 8.352 0.050 25786 6481 1 16 . 1 1 20 20 ASP N N 20 118.796 118.796 119.104 -0.308 25786 6482 1 16 . 1 1 20 20 ASP HA H 20 4.837 4.837 4.621 0.216 25786 6483 1 16 . 1 1 20 20 ASP C C 20 177.313 177.313 177.352 -0.039 25786 6484 1 16 . 1 1 20 20 ASP CA C 20 56.725 56.725 56.036 0.689 25786 6485 1 16 . 1 1 20 20 ASP CB C 20 40.189 40.189 40.832 -0.643 25786 6486 1 16 . 1 1 20 20 ASP H H 20 8.317 8.317 8.288 0.029 25786 6487 1 16 . 1 1 21 21 TYR N N 21 120.958 120.958 120.822 0.136 25786 6488 1 16 . 1 1 21 21 TYR HA H 21 4.058 4.058 4.213 -0.155 25786 6489 1 16 . 1 1 21 21 TYR C C 21 176.282 176.282 177.232 -0.950 25786 6490 1 16 . 1 1 21 21 TYR CA C 21 61.892 61.892 61.828 0.064 25786 6491 1 16 . 1 1 21 21 TYR CB C 21 38.655 38.655 38.514 0.141 25786 6492 1 16 . 1 1 21 21 TYR H H 21 8.679 8.679 7.790 0.889 25786 6493 1 16 . 1 1 22 22 GLN N N 22 117.715 117.715 118.098 -0.383 25786 6494 1 16 . 1 1 22 22 GLN HA H 22 3.826 3.826 4.005 -0.179 25786 6495 1 16 . 1 1 22 22 GLN C C 22 178.197 178.197 178.184 0.013 25786 6496 1 16 . 1 1 22 22 GLN CA C 22 59.110 59.110 59.286 -0.176 25786 6497 1 16 . 1 1 22 22 GLN CB C 22 27.430 27.430 27.909 -0.478 25786 6498 1 16 . 1 1 22 22 GLN H H 22 8.236 8.236 7.900 0.336 25786 6499 1 16 . 1 1 23 23 GLN N N 23 118.526 118.526 119.269 -0.743 25786 6500 1 16 . 1 1 23 23 GLN HA H 23 4.100 4.100 4.142 -0.042 25786 6501 1 16 . 1 1 23 23 GLN C C 23 177.521 177.521 178.393 -0.872 25786 6502 1 16 . 1 1 23 23 GLN CA C 23 58.915 58.915 58.412 0.503 25786 6503 1 16 . 1 1 23 23 GLN CB C 23 29.032 29.032 28.338 0.694 25786 6504 1 16 . 1 1 23 23 GLN H H 23 8.003 8.003 7.934 0.069 25786 6505 1 16 . 1 1 24 24 LEU N N 24 121.914 121.914 121.355 0.559 25786 6506 1 16 . 1 1 24 24 LEU HA H 24 3.444 3.444 3.187 0.257 25786 6507 1 16 . 1 1 24 24 LEU C C 24 176.882 176.882 178.201 -1.319 25786 6508 1 16 . 1 1 24 24 LEU CA C 24 58.115 58.115 57.652 0.463 25786 6509 1 16 . 1 1 24 24 LEU CB C 24 41.704 41.704 41.303 0.400 25786 6510 1 16 . 1 1 24 24 LEU H H 24 8.031 8.031 8.390 -0.359 25786 6511 1 16 . 1 1 25 25 ARG N N 25 116.645 116.645 118.679 -2.034 25786 6512 1 16 . 1 1 25 25 ARG HA H 25 3.395 3.395 3.610 -0.215 25786 6513 1 16 . 1 1 25 25 ARG C C 25 177.469 177.469 178.146 -0.677 25786 6514 1 16 . 1 1 25 25 ARG CA C 25 60.246 60.246 59.665 0.581 25786 6515 1 16 . 1 1 25 25 ARG CB C 25 29.925 29.925 29.771 0.154 25786 6516 1 16 . 1 1 25 25 ARG H H 25 7.981 7.981 8.263 -0.282 25786 6517 1 16 . 1 1 26 26 GLU N N 26 115.943 115.943 119.512 -3.569 25786 6518 1 16 . 1 1 26 26 GLU HA H 26 3.832 3.832 3.950 -0.118 25786 6519 1 16 . 1 1 26 26 GLU C C 26 179.682 179.682 179.036 0.646 25786 6520 1 16 . 1 1 26 26 GLU CA C 26 59.517 59.517 59.583 -0.066 25786 6521 1 16 . 1 1 26 26 GLU CB C 26 29.439 29.439 29.415 0.024 25786 6522 1 16 . 1 1 26 26 GLU H H 26 8.160 8.160 7.782 0.378 25786 6523 1 16 . 1 1 27 27 ARG N N 27 118.766 118.766 118.588 0.178 25786 6524 1 16 . 1 1 27 27 ARG HA H 27 4.144 4.144 4.147 -0.003 25786 6525 1 16 . 1 1 27 27 ARG C C 27 179.241 179.241 179.019 0.222 25786 6526 1 16 . 1 1 27 27 ARG CA C 27 58.855 58.855 58.071 0.784 25786 6527 1 16 . 1 1 27 27 ARG CB C 27 29.996 29.996 30.000 -0.004 25786 6528 1 16 . 1 1 27 27 ARG H H 27 8.283 8.283 7.783 0.500 25786 6529 1 16 . 1 1 28 28 LEU N N 28 122.077 122.077 120.944 1.133 25786 6530 1 16 . 1 1 28 28 LEU HA H 28 4.106 4.106 3.979 0.127 25786 6531 1 16 . 1 1 28 28 LEU C C 28 178.766 178.766 179.002 -0.236 25786 6532 1 16 . 1 1 28 28 LEU CA C 28 58.558 58.558 57.835 0.723 25786 6533 1 16 . 1 1 28 28 LEU CB C 28 42.514 42.514 41.360 1.154 25786 6534 1 16 . 1 1 28 28 LEU H H 28 8.389 8.389 8.124 0.265 25786 6535 1 16 . 1 1 29 29 ILE N N 29 117.586 117.586 118.962 -1.376 25786 6536 1 16 . 1 1 29 29 ILE HA H 29 3.339 3.339 3.541 -0.202 25786 6537 1 16 . 1 1 29 29 ILE C C 29 177.927 177.927 177.897 0.030 25786 6538 1 16 . 1 1 29 29 ILE CA C 29 66.203 66.203 66.131 0.072 25786 6539 1 16 . 1 1 29 29 ILE CB C 29 37.823 37.823 37.590 0.233 25786 6540 1 16 . 1 1 29 29 ILE H H 29 7.914 7.914 8.377 -0.463 25786 6541 1 16 . 1 1 30 30 GLN N N 30 116.395 116.395 117.633 -1.238 25786 6542 1 16 . 1 1 30 30 GLN HA H 30 4.157 4.157 4.101 0.056 25786 6543 1 16 . 1 1 30 30 GLN C C 30 179.400 179.400 178.002 1.398 25786 6544 1 16 . 1 1 30 30 GLN CA C 30 58.410 58.410 58.521 -0.111 25786 6545 1 16 . 1 1 30 30 GLN CB C 30 28.804 28.804 28.627 0.177 25786 6546 1 16 . 1 1 30 30 GLN H H 30 7.287 7.287 7.631 -0.344 25786 6547 1 16 . 1 1 31 31 GLU N N 31 120.336 120.336 120.369 -0.033 25786 6548 1 16 . 1 1 31 31 GLU HA H 31 4.023 4.023 4.179 -0.156 25786 6549 1 16 . 1 1 31 31 GLU C C 31 178.395 178.395 178.538 -0.143 25786 6550 1 16 . 1 1 31 31 GLU CA C 31 59.377 59.377 58.889 0.488 25786 6551 1 16 . 1 1 31 31 GLU CB C 31 30.436 30.436 29.852 0.584 25786 6552 1 16 . 1 1 31 31 GLU H H 31 8.814 8.814 8.260 0.554 25786 6553 1 16 . 1 1 32 32 LEU N N 32 115.139 115.139 117.125 -1.986 25786 6554 1 16 . 1 1 32 32 LEU HA H 32 4.377 4.377 4.542 -0.165 25786 6555 1 16 . 1 1 32 32 LEU C C 32 176.033 176.033 177.158 -1.125 25786 6556 1 16 . 1 1 32 32 LEU CA C 32 54.101 54.101 54.548 -0.447 25786 6557 1 16 . 1 1 32 32 LEU CB C 32 41.354 41.354 42.174 -0.820 25786 6558 1 16 . 1 1 32 32 LEU H H 32 8.109 8.109 8.103 0.006 25786 6559 1 16 . 1 1 33 33 ASN N N 33 116.751 116.751 116.260 0.491 25786 6560 1 16 . 1 1 33 33 ASN HA H 33 4.453 4.453 4.382 0.071 25786 6561 1 16 . 1 1 33 33 ASN C C 33 174.288 174.288 174.288 0.000 25786 6562 1 16 . 1 1 33 33 ASN CA C 33 54.024 54.024 53.914 0.110 25786 6563 1 16 . 1 1 33 33 ASN CB C 33 36.929 36.929 37.418 -0.489 25786 6564 1 16 . 1 1 33 33 ASN H H 33 7.796 7.796 8.213 -0.417 25786 6565 1 16 . 1 1 34 34 LEU N N 34 117.139 117.139 118.551 -1.412 25786 6566 1 16 . 1 1 34 34 LEU HA H 34 4.787 4.787 4.636 0.151 25786 6567 1 16 . 1 1 34 34 LEU C C 34 176.521 176.521 175.831 0.690 25786 6568 1 16 . 1 1 34 34 LEU CA C 34 53.079 53.079 53.282 -0.203 25786 6569 1 16 . 1 1 34 34 LEU CB C 34 44.673 44.673 45.972 -1.299 25786 6570 1 16 . 1 1 34 34 LEU H H 34 7.728 7.728 8.361 -0.633 25786 6571 1 16 . 1 1 35 35 THR N N 35 110.751 110.751 111.089 -0.338 25786 6572 1 16 . 1 1 35 35 THR HA H 35 4.803 4.803 4.831 -0.028 25786 6573 1 16 . 1 1 35 35 THR C C 35 174.438 174.438 173.857 0.581 25786 6574 1 16 . 1 1 35 35 THR CA C 35 59.445 59.445 58.732 0.713 25786 6575 1 16 . 1 1 35 35 THR CB C 35 68.651 68.651 69.641 -0.990 25786 6576 1 16 . 1 1 35 35 THR H H 35 8.001 8.001 8.033 -0.032 25786 6577 1 16 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.110 -0.033 25786 6578 1 16 . 1 1 36 36 PRO CA C 36 65.645 65.645 65.640 0.005 25786 6579 1 16 . 1 1 36 36 PRO CB C 36 31.632 31.632 32.024 -0.392 25786 6580 1 16 . 1 1 37 37 GLN N N 37 112.874 112.874 112.246 0.628 25786 6581 1 16 . 1 1 37 37 GLN HA H 37 4.105 4.105 4.253 -0.148 25786 6582 1 16 . 1 1 37 37 GLN C C 37 176.960 176.960 176.814 0.146 25786 6583 1 16 . 1 1 37 37 GLN CA C 37 57.891 57.891 56.488 1.403 25786 6584 1 16 . 1 1 37 37 GLN CB C 37 27.902 27.902 28.470 -0.568 25786 6585 1 16 . 1 1 37 37 GLN H H 37 8.005 8.005 8.269 -0.264 25786 6586 1 16 . 1 1 38 38 GLN N N 38 116.477 116.477 119.334 -2.857 25786 6587 1 16 . 1 1 38 38 GLN HA H 38 4.187 4.187 4.240 -0.053 25786 6588 1 16 . 1 1 38 38 GLN C C 38 175.508 175.508 176.853 -1.345 25786 6589 1 16 . 1 1 38 38 GLN CA C 38 56.398 56.398 57.246 -0.848 25786 6590 1 16 . 1 1 38 38 GLN CB C 38 31.126 31.126 29.979 1.147 25786 6591 1 16 . 1 1 38 38 GLN H H 38 7.663 7.663 7.654 0.009 25786 6592 1 16 . 1 1 39 39 LEU N N 39 120.726 120.726 122.352 -1.626 25786 6593 1 16 . 1 1 39 39 LEU HA H 39 4.371 4.371 4.473 -0.102 25786 6594 1 16 . 1 1 39 39 LEU C C 39 174.277 174.277 175.018 -0.741 25786 6595 1 16 . 1 1 39 39 LEU CA C 39 53.959 53.959 53.427 0.532 25786 6596 1 16 . 1 1 39 39 LEU CB C 39 41.610 41.610 41.337 0.273 25786 6597 1 16 . 1 1 39 39 LEU H H 39 7.286 7.286 7.807 -0.521 25786 6598 1 16 . 1 1 40 40 HIS N N 40 124.680 124.680 124.694 -0.014 25786 6599 1 16 . 1 1 40 40 HIS HA H 40 4.808 4.808 4.559 0.249 25786 6600 1 16 . 1 1 40 40 HIS C C 40 176.727 176.727 176.281 0.446 25786 6601 1 16 . 1 1 40 40 HIS CA C 40 54.762 54.762 56.384 -1.622 25786 6602 1 16 . 1 1 40 40 HIS CB C 40 31.521 31.521 32.664 -1.143 25786 6603 1 16 . 1 1 40 40 HIS H H 40 8.158 8.158 7.782 0.376 25786 6604 1 16 . 1 1 41 41 GLU HA H 41 4.029 4.029 3.854 0.175 25786 6605 1 16 . 1 1 42 42 GLU N N 42 113.813 113.813 117.763 -3.950 25786 6606 1 16 . 1 1 42 42 GLU HA H 42 4.547 4.547 4.349 0.198 25786 6607 1 16 . 1 1 42 42 GLU C C 42 176.680 176.680 175.665 1.015 25786 6608 1 16 . 1 1 42 42 GLU CA C 42 55.313 55.313 54.855 0.458 25786 6609 1 16 . 1 1 42 42 GLU CB C 42 29.165 29.165 29.430 -0.265 25786 6610 1 16 . 1 1 42 42 GLU H H 42 8.808 8.808 7.103 1.705 25786 6611 1 16 . 1 1 43 43 SER N N 43 118.066 118.066 116.877 1.189 25786 6612 1 16 . 1 1 43 43 SER HA H 43 4.088 4.088 4.391 -0.303 25786 6613 1 16 . 1 1 43 43 SER C C 43 173.663 173.663 173.573 0.090 25786 6614 1 16 . 1 1 43 43 SER CA C 43 60.156 60.156 58.512 1.644 25786 6615 1 16 . 1 1 43 43 SER CB C 43 62.827 62.827 63.842 -1.015 25786 6616 1 16 . 1 1 43 43 SER H H 43 7.485 7.485 7.625 -0.140 25786 6617 1 16 . 1 1 44 44 ASN N N 44 123.218 123.218 124.375 -1.157 25786 6618 1 16 . 1 1 44 44 ASN HA H 44 4.392 4.392 4.726 -0.334 25786 6619 1 16 . 1 1 44 44 ASN C C 44 176.926 176.926 176.362 0.564 25786 6620 1 16 . 1 1 44 44 ASN CA C 44 53.987 53.987 53.697 0.290 25786 6621 1 16 . 1 1 44 44 ASN CB C 44 38.433 38.433 38.493 -0.060 25786 6622 1 16 . 1 1 44 44 ASN H H 44 8.811 8.811 8.898 -0.087 25786 6623 1 16 . 1 1 45 45 LEU N N 45 128.735 128.735 125.828 2.907 25786 6624 1 16 . 1 1 45 45 LEU HA H 45 3.722 3.722 3.996 -0.274 25786 6625 1 16 . 1 1 45 45 LEU C C 45 178.143 178.143 178.410 -0.267 25786 6626 1 16 . 1 1 45 45 LEU CA C 45 57.149 57.149 57.517 -0.368 25786 6627 1 16 . 1 1 45 45 LEU CB C 45 42.250 42.250 41.914 0.336 25786 6628 1 16 . 1 1 45 45 LEU H H 45 9.385 9.385 8.847 0.538 25786 6629 1 16 . 1 1 46 46 ILE N N 46 119.379 119.379 118.637 0.742 25786 6630 1 16 . 1 1 46 46 ILE HA H 46 4.187 4.187 3.981 0.206 25786 6631 1 16 . 1 1 46 46 ILE C C 46 180.926 180.926 178.944 1.982 25786 6632 1 16 . 1 1 46 46 ILE CA C 46 63.814 63.814 64.619 -0.805 25786 6633 1 16 . 1 1 46 46 ILE CB C 46 36.709 36.709 37.868 -1.159 25786 6634 1 16 . 1 1 46 46 ILE H H 46 7.659 7.659 8.226 -0.567 25786 6635 1 16 . 1 1 47 47 GLN N N 47 121.737 121.737 118.248 3.489 25786 6636 1 16 . 1 1 47 47 GLN HA H 47 3.989 3.989 4.138 -0.149 25786 6637 1 16 . 1 1 47 47 GLN C C 47 177.739 177.739 176.683 1.056 25786 6638 1 16 . 1 1 47 47 GLN CA C 47 58.033 58.033 57.751 0.282 25786 6639 1 16 . 1 1 47 47 GLN CB C 47 27.985 27.985 28.832 -0.847 25786 6640 1 16 . 1 1 47 47 GLN H H 47 8.161 8.161 7.995 0.166 25786 6641 1 16 . 1 1 48 48 ALA N N 48 117.777 117.777 120.795 -3.018 25786 6642 1 16 . 1 1 48 48 ALA HA H 48 4.260 4.260 4.526 -0.266 25786 6643 1 16 . 1 1 48 48 ALA C C 48 176.582 176.582 177.554 -0.972 25786 6644 1 16 . 1 1 48 48 ALA CA C 48 52.710 52.710 52.353 0.357 25786 6645 1 16 . 1 1 48 48 ALA CB C 48 18.601 18.601 20.311 -1.710 25786 6646 1 16 . 1 1 48 48 ALA H H 48 7.448 7.448 7.164 0.284 25786 6647 1 16 . 1 1 49 49 GLY N N 49 102.932 102.932 106.534 -3.602 25786 6648 1 16 . 1 1 49 49 GLY C C 49 174.451 174.451 172.220 2.231 25786 6649 1 16 . 1 1 49 49 GLY CA C 49 44.967 44.967 45.678 -0.711 25786 6650 1 16 . 1 1 49 49 GLY H H 49 7.445 7.445 8.292 -0.847 25786 6651 1 16 . 1 1 50 50 LEU N N 50 123.058 123.058 120.798 2.260 25786 6652 1 16 . 1 1 50 50 LEU HA H 50 4.257 4.257 4.776 -0.519 25786 6653 1 16 . 1 1 50 50 LEU C C 50 173.460 173.460 174.480 -1.020 25786 6654 1 16 . 1 1 50 50 LEU CA C 50 55.909 55.909 54.089 1.820 25786 6655 1 16 . 1 1 50 50 LEU CB C 50 41.454 41.454 46.298 -4.844 25786 6656 1 16 . 1 1 50 50 LEU H H 50 8.545 8.545 7.279 1.266 25786 6657 1 16 . 1 1 54 54 ARG N N 54 121.407 121.407 121.320 0.087 25786 6658 1 16 . 1 1 54 54 ARG HA H 54 4.088 4.088 3.875 0.213 25786 6659 1 16 . 1 1 54 54 ARG C C 54 179.647 179.647 177.558 2.089 25786 6660 1 16 . 1 1 54 54 ARG CA C 54 59.615 59.615 58.832 0.783 25786 6661 1 16 . 1 1 54 54 ARG CB C 54 30.633 30.633 30.704 -0.071 25786 6662 1 16 . 1 1 54 54 ARG H H 54 8.412 8.412 8.912 -0.500 25786 6663 1 16 . 1 1 55 55 LEU N N 55 121.118 121.118 120.858 0.260 25786 6664 1 16 . 1 1 55 55 LEU HA H 55 4.332 4.332 4.402 -0.070 25786 6665 1 16 . 1 1 55 55 LEU C C 55 178.416 178.416 178.149 0.267 25786 6666 1 16 . 1 1 55 55 LEU CA C 55 59.035 59.035 58.047 0.988 25786 6667 1 16 . 1 1 55 55 LEU CB C 55 41.718 41.718 41.255 0.463 25786 6668 1 16 . 1 1 55 55 LEU H H 55 9.050 9.050 8.041 1.009 25786 6669 1 16 . 1 1 56 56 MET N N 56 117.969 117.969 117.882 0.087 25786 6670 1 16 . 1 1 56 56 MET HA H 56 4.284 4.284 3.993 0.291 25786 6671 1 16 . 1 1 56 56 MET C C 56 178.301 178.301 177.825 0.476 25786 6672 1 16 . 1 1 56 56 MET CA C 56 57.927 57.927 58.776 -0.849 25786 6673 1 16 . 1 1 56 56 MET CB C 56 31.317 31.317 32.037 -0.720 25786 6674 1 16 . 1 1 56 56 MET H H 56 7.875 7.875 8.068 -0.193 25786 6675 1 16 . 1 1 57 57 ARG N N 57 119.532 119.532 119.570 -0.038 25786 6676 1 16 . 1 1 57 57 ARG HA H 57 4.096 4.096 2.874 1.222 25786 6677 1 16 . 1 1 57 57 ARG C C 57 180.458 180.458 177.942 2.516 25786 6678 1 16 . 1 1 57 57 ARG CA C 57 59.770 59.770 59.345 0.425 25786 6679 1 16 . 1 1 57 57 ARG CB C 57 29.520 29.520 29.393 0.127 25786 6680 1 16 . 1 1 57 57 ARG H H 57 7.609 7.609 7.738 -0.129 25786 6681 1 16 . 1 1 58 58 TRP N N 58 121.820 121.820 118.848 2.972 25786 6682 1 16 . 1 1 58 58 TRP HA H 58 4.465 4.465 4.210 0.255 25786 6683 1 16 . 1 1 58 58 TRP C C 58 177.973 177.973 178.657 -0.684 25786 6684 1 16 . 1 1 58 58 TRP CA C 58 61.063 61.063 58.840 2.223 25786 6685 1 16 . 1 1 58 58 TRP CB C 58 28.348 28.348 29.355 -1.007 25786 6686 1 16 . 1 1 58 58 TRP H H 58 8.207 8.207 7.473 0.734 25786 6687 1 16 . 1 1 59 59 LEU N N 59 121.654 121.654 121.179 0.475 25786 6688 1 16 . 1 1 59 59 LEU HA H 59 4.274 4.274 4.143 0.131 25786 6689 1 16 . 1 1 59 59 LEU C C 59 178.823 178.823 178.740 0.083 25786 6690 1 16 . 1 1 59 59 LEU CA C 59 59.044 59.044 58.148 0.896 25786 6691 1 16 . 1 1 59 59 LEU CB C 59 40.851 40.851 41.359 -0.508 25786 6692 1 16 . 1 1 59 59 LEU H H 59 8.599 8.599 8.018 0.581 25786 6693 1 16 . 1 1 60 60 HIS N N 60 116.952 116.952 114.703 2.249 25786 6694 1 16 . 1 1 60 60 HIS HA H 60 4.389 4.389 4.457 -0.068 25786 6695 1 16 . 1 1 60 60 HIS C C 60 177.635 177.635 177.412 0.223 25786 6696 1 16 . 1 1 60 60 HIS CA C 60 59.755 59.755 57.670 2.085 25786 6697 1 16 . 1 1 60 60 HIS CB C 60 30.083 30.083 29.812 0.271 25786 6698 1 16 . 1 1 60 60 HIS H H 60 7.909 7.909 8.389 -0.480 25786 6699 1 16 . 1 1 61 61 TRP N N 61 123.194 123.194 122.282 0.912 25786 6700 1 16 . 1 1 61 61 TRP HA H 61 4.032 4.032 4.501 -0.469 25786 6701 1 16 . 1 1 61 61 TRP C C 61 179.298 179.298 176.442 2.856 25786 6702 1 16 . 1 1 61 61 TRP CA C 61 62.541 62.541 60.395 2.146 25786 6703 1 16 . 1 1 61 61 TRP CB C 61 28.839 28.839 29.426 -0.587 25786 6704 1 16 . 1 1 61 61 TRP H H 61 8.142 8.142 8.036 0.106 25786 6705 1 16 . 1 1 62 62 PHE N N 62 120.038 120.038 115.399 4.639 25786 6706 1 16 . 1 1 62 62 PHE HA H 62 4.205 4.205 4.406 -0.201 25786 6707 1 16 . 1 1 62 62 PHE C C 62 179.080 179.080 178.051 1.029 25786 6708 1 16 . 1 1 62 62 PHE CA C 62 63.629 63.629 60.941 2.688 25786 6709 1 16 . 1 1 62 62 PHE CB C 62 38.664 38.664 38.542 0.122 25786 6710 1 16 . 1 1 62 62 PHE H H 62 9.447 9.447 7.851 1.596 25786 6711 1 16 . 1 1 63 63 ARG N N 63 118.560 118.560 120.190 -1.630 25786 6712 1 16 . 1 1 63 63 ARG HA H 63 4.258 4.258 4.149 0.109 25786 6713 1 16 . 1 1 63 63 ARG C C 63 181.328 181.328 178.784 2.544 25786 6714 1 16 . 1 1 63 63 ARG CA C 63 59.257 59.257 58.154 1.103 25786 6715 1 16 . 1 1 63 63 ARG CB C 63 29.697 29.697 29.420 0.277 25786 6716 1 16 . 1 1 63 63 ARG H H 63 8.665 8.665 7.836 0.829 25786 6717 1 16 . 1 1 64 64 LYS N N 64 122.759 122.759 120.011 2.748 25786 6718 1 16 . 1 1 64 64 LYS HA H 64 4.019 4.019 4.036 -0.017 25786 6719 1 16 . 1 1 64 64 LYS C C 64 177.595 177.595 176.943 0.652 25786 6720 1 16 . 1 1 64 64 LYS CA C 64 58.651 58.651 58.626 0.025 25786 6721 1 16 . 1 1 64 64 LYS CB C 64 31.510 31.510 32.120 -0.610 25786 6722 1 16 . 1 1 64 64 LYS H H 64 8.690 8.690 7.641 1.048 25786 6723 1 16 . 1 1 65 65 ASN N N 65 115.681 115.681 114.082 1.599 25786 6724 1 16 . 1 1 65 65 ASN HA H 65 4.532 4.532 4.631 -0.099 25786 6725 1 16 . 1 1 65 65 ASN C C 65 173.405 173.405 174.330 -0.925 25786 6726 1 16 . 1 1 65 65 ASN CA C 65 53.685 53.685 52.181 1.504 25786 6727 1 16 . 1 1 65 65 ASN CB C 65 39.038 39.038 38.968 0.070 25786 6728 1 16 . 1 1 65 65 ASN H H 65 7.246 7.246 7.558 -0.312 25786 6729 1 16 . 1 1 66 66 GLY N N 66 105.186 105.186 107.692 -2.506 25786 6730 1 16 . 1 1 66 66 GLY C C 66 173.869 173.869 173.941 -0.072 25786 6731 1 16 . 1 1 66 66 GLY CA C 66 45.539 45.539 45.859 -0.320 25786 6732 1 16 . 1 1 66 66 GLY H H 66 7.603 7.603 7.885 -0.282 25786 6733 1 16 . 1 1 67 67 TYR N N 67 119.699 119.699 120.367 -0.668 25786 6734 1 16 . 1 1 67 67 TYR HA H 67 4.542 4.542 4.283 0.259 25786 6735 1 16 . 1 1 67 67 TYR C C 67 175.838 175.838 175.898 -0.060 25786 6736 1 16 . 1 1 67 67 TYR CA C 67 57.858 57.858 58.830 -0.972 25786 6737 1 16 . 1 1 67 67 TYR CB C 67 38.564 38.564 38.069 0.495 25786 6738 1 16 . 1 1 67 67 TYR H H 67 8.248 8.248 7.942 0.306 25786 6739 1 16 . 1 1 68 68 ARG N N 68 125.588 125.588 126.777 -1.189 25786 6740 1 16 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.564 -0.175 25786 6741 1 16 . 1 1 68 68 ARG C C 68 174.479 174.479 174.962 -0.483 25786 6742 1 16 . 1 1 68 68 ARG CA C 68 55.649 55.649 55.466 0.183 25786 6743 1 16 . 1 1 68 68 ARG CB C 68 28.357 28.357 29.009 -0.652 25786 6744 1 16 . 1 1 68 68 ARG H H 68 8.550 8.550 8.984 -0.434 25786 6745 1 16 . 1 1 69 69 LEU N N 69 122.034 122.034 124.040 -2.006 25786 6746 1 16 . 1 1 69 69 LEU HA H 69 4.711 4.711 5.033 -0.322 25786 6747 1 16 . 1 1 69 69 LEU C C 69 175.630 175.630 177.006 -1.376 25786 6748 1 16 . 1 1 69 69 LEU CA C 69 53.367 53.367 53.084 0.283 25786 6749 1 16 . 1 1 69 69 LEU CB C 69 44.286 44.286 44.910 -0.624 25786 6750 1 16 . 1 1 69 69 LEU H H 69 7.421 7.421 7.811 -0.390 25786 6751 1 16 . 1 1 70 70 THR N N 70 109.789 109.789 118.969 -9.180 25786 6752 1 16 . 1 1 70 70 THR HA H 70 4.721 4.721 4.522 0.199 25786 6753 1 16 . 1 1 70 70 THR C C 70 174.636 174.636 174.730 -0.094 25786 6754 1 16 . 1 1 70 70 THR CA C 70 59.377 59.377 62.005 -2.628 25786 6755 1 16 . 1 1 70 70 THR CB C 70 72.180 72.180 69.712 2.468 25786 6756 1 16 . 1 1 70 70 THR H H 70 8.163 8.163 9.551 -1.388 25786 6757 1 16 . 1 1 71 71 LEU N N 71 122.563 122.563 126.305 -3.742 25786 6758 1 16 . 1 1 71 71 LEU HA H 71 3.885 3.885 4.072 -0.187 25786 6759 1 16 . 1 1 71 71 LEU C C 71 178.632 178.632 178.037 0.595 25786 6760 1 16 . 1 1 71 71 LEU CA C 71 58.196 58.196 58.115 0.081 25786 6761 1 16 . 1 1 71 71 LEU CB C 71 41.940 41.940 42.289 -0.349 25786 6762 1 16 . 1 1 71 71 LEU H H 71 8.825 8.825 8.824 0.001 25786 6763 1 16 . 1 1 72 72 ARG N N 72 115.949 115.949 118.022 -2.073 25786 6764 1 16 . 1 1 72 72 ARG HA H 72 3.876 3.876 4.310 -0.434 25786 6765 1 16 . 1 1 72 72 ARG C C 72 178.893 178.893 177.679 1.214 25786 6766 1 16 . 1 1 72 72 ARG CA C 72 59.147 59.147 58.570 0.577 25786 6767 1 16 . 1 1 72 72 ARG CB C 72 29.631 29.631 29.632 -0.001 25786 6768 1 16 . 1 1 72 72 ARG H H 72 8.244 8.244 8.630 -0.386 25786 6769 1 16 . 1 1 73 73 GLU N N 73 117.665 117.665 118.619 -0.954 25786 6770 1 16 . 1 1 73 73 GLU HA H 73 3.951 3.951 4.121 -0.170 25786 6771 1 16 . 1 1 73 73 GLU C C 73 178.762 178.762 178.669 0.093 25786 6772 1 16 . 1 1 73 73 GLU CA C 73 59.092 59.092 59.095 -0.003 25786 6773 1 16 . 1 1 73 73 GLU CB C 73 29.739 29.739 29.680 0.059 25786 6774 1 16 . 1 1 73 73 GLU H H 73 7.461 7.461 7.593 -0.132 25786 6775 1 16 . 1 1 74 74 LEU N N 74 117.724 117.724 119.261 -1.537 25786 6776 1 16 . 1 1 74 74 LEU HA H 74 3.898 3.898 4.281 -0.383 25786 6777 1 16 . 1 1 74 74 LEU C C 74 179.355 179.355 179.727 -0.372 25786 6778 1 16 . 1 1 74 74 LEU CA C 74 57.469 57.469 57.730 -0.261 25786 6779 1 16 . 1 1 74 74 LEU CB C 74 41.619 41.619 41.642 -0.023 25786 6780 1 16 . 1 1 74 74 LEU H H 74 7.413 7.413 7.417 -0.004 25786 6781 1 16 . 1 1 75 75 TYR N N 75 114.976 114.976 115.962 -0.986 25786 6782 1 16 . 1 1 75 75 TYR HA H 75 4.054 4.054 4.476 -0.422 25786 6783 1 16 . 1 1 75 75 TYR C C 75 176.656 176.656 177.019 -0.363 25786 6784 1 16 . 1 1 75 75 TYR CA C 75 60.638 60.638 59.304 1.334 25786 6785 1 16 . 1 1 75 75 TYR CB C 75 39.688 39.688 37.198 2.490 25786 6786 1 16 . 1 1 75 75 TYR H H 75 8.086 8.086 7.790 0.296 25786 6787 1 16 . 1 1 76 76 ALA N N 76 119.116 119.116 122.524 -3.408 25786 6788 1 16 . 1 1 76 76 ALA HA H 76 4.052 4.052 4.566 -0.514 25786 6789 1 16 . 1 1 76 76 ALA C C 76 178.156 178.156 177.015 1.141 25786 6790 1 16 . 1 1 76 76 ALA CA C 76 54.468 54.468 52.993 1.474 25786 6791 1 16 . 1 1 76 76 ALA CB C 76 18.535 18.535 20.061 -1.526 25786 6792 1 16 . 1 1 76 76 ALA H H 76 7.776 7.776 7.750 0.026 25786 6793 1 16 . 1 1 77 77 ALA N N 77 116.862 116.862 121.785 -4.923 25786 6794 1 16 . 1 1 77 77 ALA C C 77 173.737 173.737 174.489 -0.752 25786 6795 1 16 . 1 1 77 77 ALA CA C 77 49.713 49.713 49.529 0.184 25786 6796 1 16 . 1 1 77 77 ALA CB C 77 19.226 19.226 19.669 -0.443 25786 6797 1 16 . 1 1 77 77 ALA H H 77 6.706 6.706 8.014 -1.308 25786 6798 1 16 . 1 1 78 78 PRO HA H 78 5.018 5.018 4.792 0.226 25786 6799 1 16 . 1 1 78 78 PRO CA C 78 61.523 61.523 62.549 -1.026 25786 6800 1 16 . 1 1 78 78 PRO CB C 78 28.845 28.845 30.222 -1.377 25786 6801 1 16 . 1 1 79 79 THR N N 79 111.947 111.947 111.777 0.170 25786 6802 1 16 . 1 1 79 79 THR HA H 79 4.396 4.396 4.814 -0.418 25786 6803 1 16 . 1 1 79 79 THR C C 79 173.000 173.000 174.696 -1.696 25786 6804 1 16 . 1 1 79 79 THR CA C 79 58.059 58.059 59.178 -1.119 25786 6805 1 16 . 1 1 79 79 THR CB C 79 72.247 72.247 72.658 -0.411 25786 6806 1 16 . 1 1 79 79 THR H H 79 7.664 7.664 7.077 0.587 25786 6807 1 16 . 1 1 80 80 LEU N N 80 123.227 123.227 122.312 0.915 25786 6808 1 16 . 1 1 80 80 LEU HA H 80 3.747 3.747 3.932 -0.185 25786 6809 1 16 . 1 1 80 80 LEU C C 80 179.028 179.028 178.299 0.729 25786 6810 1 16 . 1 1 80 80 LEU CA C 80 58.209 58.209 57.696 0.513 25786 6811 1 16 . 1 1 80 80 LEU CB C 80 41.579 41.579 41.512 0.067 25786 6812 1 16 . 1 1 80 80 LEU H H 80 9.609 9.609 8.564 1.045 25786 6813 1 16 . 1 1 81 81 ALA N N 81 119.663 119.663 122.251 -2.588 25786 6814 1 16 . 1 1 81 81 ALA HA H 81 4.141 4.141 3.998 0.142 25786 6815 1 16 . 1 1 81 81 ALA C C 81 181.038 181.038 179.296 1.742 25786 6816 1 16 . 1 1 81 81 ALA CA C 81 54.876 54.876 55.319 -0.443 25786 6817 1 16 . 1 1 81 81 ALA CB C 81 18.428 18.428 17.825 0.603 25786 6818 1 16 . 1 1 81 81 ALA H H 81 8.831 8.831 8.270 0.561 25786 6819 1 16 . 1 1 82 82 ALA N N 82 122.181 122.181 121.463 0.718 25786 6820 1 16 . 1 1 82 82 ALA HA H 82 4.225 4.225 4.081 0.144 25786 6821 1 16 . 1 1 82 82 ALA C C 82 181.868 181.868 179.625 2.243 25786 6822 1 16 . 1 1 82 82 ALA CA C 82 54.808 54.808 55.183 -0.375 25786 6823 1 16 . 1 1 82 82 ALA CB C 82 19.088 19.088 18.458 0.630 25786 6824 1 16 . 1 1 82 82 ALA H H 82 8.272 8.272 7.840 0.432 25786 6825 1 16 . 1 1 83 83 TRP N N 83 123.399 123.399 118.456 4.943 25786 6826 1 16 . 1 1 83 83 TRP HA H 83 4.543 4.543 4.279 0.264 25786 6827 1 16 . 1 1 83 83 TRP C C 83 178.633 178.633 179.033 -0.400 25786 6828 1 16 . 1 1 83 83 TRP CA C 83 59.562 59.562 59.339 0.223 25786 6829 1 16 . 1 1 83 83 TRP CB C 83 28.301 28.301 28.441 -0.140 25786 6830 1 16 . 1 1 83 83 TRP H H 83 9.378 9.378 8.206 1.172 25786 6831 1 16 . 1 1 84 84 ASN N N 84 118.250 118.250 117.961 0.289 25786 6832 1 16 . 1 1 84 84 ASN HA H 84 4.616 4.616 4.505 0.111 25786 6833 1 16 . 1 1 84 84 ASN C C 84 177.231 177.231 177.868 -0.637 25786 6834 1 16 . 1 1 84 84 ASN CA C 84 57.096 57.096 56.198 0.898 25786 6835 1 16 . 1 1 84 84 ASN CB C 84 39.229 39.229 38.162 1.067 25786 6836 1 16 . 1 1 84 84 ASN H H 84 9.136 9.136 8.446 0.690 25786 6837 1 16 . 1 1 85 85 GLN N N 85 116.261 116.261 120.201 -3.940 25786 6838 1 16 . 1 1 85 85 GLN HA H 85 4.011 4.011 4.067 -0.056 25786 6839 1 16 . 1 1 85 85 GLN C C 85 179.455 179.455 178.415 1.040 25786 6840 1 16 . 1 1 85 85 GLN CA C 85 58.748 58.748 58.889 -0.141 25786 6841 1 16 . 1 1 85 85 GLN CB C 85 27.840 27.840 28.431 -0.591 25786 6842 1 16 . 1 1 85 85 GLN H H 85 7.511 7.511 8.093 -0.582 25786 6843 1 16 . 1 1 86 86 LEU N N 86 121.554 121.554 116.828 4.726 25786 6844 1 16 . 1 1 86 86 LEU HA H 86 4.041 4.041 4.006 0.035 25786 6845 1 16 . 1 1 86 86 LEU C C 86 179.171 179.171 177.944 1.227 25786 6846 1 16 . 1 1 86 86 LEU CA C 86 57.804 57.804 56.916 0.888 25786 6847 1 16 . 1 1 86 86 LEU CB C 86 41.915 41.915 41.488 0.427 25786 6848 1 16 . 1 1 86 86 LEU H H 86 8.172 8.172 8.358 -0.186 25786 6849 1 16 . 1 1 87 87 MET N N 87 117.874 117.874 116.031 1.843 25786 6850 1 16 . 1 1 87 87 MET HA H 87 3.752 3.752 3.750 0.002 25786 6851 1 16 . 1 1 87 87 MET C C 87 178.221 178.221 178.965 -0.744 25786 6852 1 16 . 1 1 87 87 MET CA C 87 59.481 59.481 58.203 1.278 25786 6853 1 16 . 1 1 87 87 MET CB C 87 34.875 34.875 33.156 1.719 25786 6854 1 16 . 1 1 87 87 MET H H 87 8.197 8.197 7.238 0.959 25786 6855 1 16 . 1 1 88 88 LEU N N 88 117.598 117.598 122.053 -4.455 25786 6856 1 16 . 1 1 88 88 LEU HA H 88 4.054 4.054 4.205 -0.151 25786 6857 1 16 . 1 1 88 88 LEU C C 88 179.237 179.237 178.875 0.362 25786 6858 1 16 . 1 1 88 88 LEU CA C 88 57.076 57.076 58.177 -1.101 25786 6859 1 16 . 1 1 88 88 LEU CB C 88 42.395 42.395 41.957 0.438 25786 6860 1 16 . 1 1 88 88 LEU H H 88 7.902 7.902 8.765 -0.863 25786 6861 1 16 . 1 1 89 89 SER N N 89 113.195 113.195 112.189 1.006 25786 6862 1 16 . 1 1 89 89 SER HA H 89 4.038 4.038 4.450 -0.412 25786 6863 1 16 . 1 1 89 89 SER C C 89 175.090 175.090 174.756 0.334 25786 6864 1 16 . 1 1 89 89 SER CA C 89 59.901 59.901 59.998 -0.097 25786 6865 1 16 . 1 1 89 89 SER CB C 89 63.834 63.834 63.075 0.759 25786 6866 1 16 . 1 1 89 89 SER H H 89 7.958 7.958 8.087 -0.129 25786 6867 1 16 . 1 1 90 90 ARG N N 90 122.031 122.031 119.346 2.685 25786 6868 1 16 . 1 1 90 90 ARG HA H 90 4.701 4.701 4.550 0.151 25786 6869 1 16 . 1 1 90 90 ARG C C 90 175.695 175.695 174.826 0.869 25786 6870 1 16 . 1 1 90 90 ARG CA C 90 53.905 53.905 55.744 -1.839 25786 6871 1 16 . 1 1 90 90 ARG CB C 90 29.631 29.631 32.349 -2.718 25786 6872 1 16 . 1 1 90 90 ARG H H 90 7.923 7.923 7.771 0.152 25786 6873 1 16 . 1 1 91 91 SER N N 91 117.191 117.191 116.662 0.529 25786 6874 1 16 . 1 1 91 91 SER C C 91 172.914 172.914 172.819 0.095 25786 6875 1 16 . 1 1 91 91 SER CA C 91 57.104 57.104 54.895 2.209 25786 6876 1 16 . 1 1 91 91 SER CB C 91 63.437 63.437 64.774 -1.337 25786 6877 1 16 . 1 1 91 91 SER H H 91 7.752 7.752 7.581 0.171 25786 6878 1 16 . 1 1 92 92 PRO HA H 92 4.420 4.420 4.489 -0.069 25786 6879 1 16 . 1 1 92 92 PRO CA C 92 63.414 63.414 62.771 0.643 25786 6880 1 16 . 1 1 92 92 PRO CB C 92 31.895 31.895 31.895 -0.000 25786 6881 1 17 . 1 1 15 15 ASN N N 15 119.857 119.857 115.618 4.239 25786 6882 1 17 . 1 1 15 15 ASN HA H 15 4.719 4.719 4.763 -0.044 25786 6883 1 17 . 1 1 15 15 ASN C C 15 175.735 175.735 174.917 0.818 25786 6884 1 17 . 1 1 15 15 ASN CA C 15 53.556 53.556 53.429 0.127 25786 6885 1 17 . 1 1 15 15 ASN CB C 15 38.731 38.731 39.188 -0.457 25786 6886 1 17 . 1 1 15 15 ASN H H 15 8.425 8.425 8.197 0.228 25786 6887 1 17 . 1 1 16 16 ARG N N 16 122.030 122.030 121.886 0.144 25786 6888 1 17 . 1 1 16 16 ARG HA H 16 4.211 4.211 4.281 -0.070 25786 6889 1 17 . 1 1 16 16 ARG C C 16 176.669 176.669 178.687 -2.018 25786 6890 1 17 . 1 1 16 16 ARG CA C 16 57.735 57.735 58.045 -0.311 25786 6891 1 17 . 1 1 16 16 ARG CB C 16 30.224 30.224 29.918 0.306 25786 6892 1 17 . 1 1 16 16 ARG H H 16 8.347 8.347 8.544 -0.197 25786 6893 1 17 . 1 1 17 17 HIS N N 17 118.590 118.590 118.894 -0.304 25786 6894 1 17 . 1 1 17 17 HIS HA H 17 4.563 4.563 4.653 -0.090 25786 6895 1 17 . 1 1 17 17 HIS C C 17 176.284 176.284 176.881 -0.597 25786 6896 1 17 . 1 1 17 17 HIS CA C 17 58.394 58.394 58.575 -0.181 25786 6897 1 17 . 1 1 17 17 HIS CB C 17 30.362 30.362 29.625 0.737 25786 6898 1 17 . 1 1 17 17 HIS H H 17 8.395 8.395 8.634 -0.239 25786 6899 1 17 . 1 1 18 18 ALA N N 18 122.047 122.047 121.946 0.101 25786 6900 1 17 . 1 1 18 18 ALA HA H 18 4.182 4.182 4.350 -0.168 25786 6901 1 17 . 1 1 18 18 ALA C C 18 180.003 180.003 178.144 1.859 25786 6902 1 17 . 1 1 18 18 ALA CA C 18 54.294 54.294 53.865 0.428 25786 6903 1 17 . 1 1 18 18 ALA CB C 18 18.849 18.849 18.020 0.829 25786 6904 1 17 . 1 1 18 18 ALA H H 18 8.436 8.436 8.703 -0.267 25786 6905 1 17 . 1 1 19 19 ALA N N 19 122.607 122.607 120.954 1.653 25786 6906 1 17 . 1 1 19 19 ALA HA H 19 4.275 4.275 4.126 0.149 25786 6907 1 17 . 1 1 19 19 ALA C C 19 180.295 180.295 179.063 1.232 25786 6908 1 17 . 1 1 19 19 ALA CA C 19 55.040 55.040 54.209 0.831 25786 6909 1 17 . 1 1 19 19 ALA CB C 19 18.267 18.267 18.694 -0.427 25786 6910 1 17 . 1 1 19 19 ALA H H 19 8.402 8.402 7.549 0.853 25786 6911 1 17 . 1 1 20 20 ASP N N 20 118.796 118.796 119.429 -0.633 25786 6912 1 17 . 1 1 20 20 ASP HA H 20 4.837 4.837 4.606 0.231 25786 6913 1 17 . 1 1 20 20 ASP C C 20 177.313 177.313 177.298 0.015 25786 6914 1 17 . 1 1 20 20 ASP CA C 20 56.725 56.725 56.266 0.459 25786 6915 1 17 . 1 1 20 20 ASP CB C 20 40.189 40.189 40.844 -0.655 25786 6916 1 17 . 1 1 20 20 ASP H H 20 8.317 8.317 8.146 0.171 25786 6917 1 17 . 1 1 21 21 TYR N N 21 120.958 120.958 120.431 0.527 25786 6918 1 17 . 1 1 21 21 TYR HA H 21 4.058 4.058 4.231 -0.173 25786 6919 1 17 . 1 1 21 21 TYR C C 21 176.282 176.282 177.379 -1.097 25786 6920 1 17 . 1 1 21 21 TYR CA C 21 61.892 61.892 61.426 0.466 25786 6921 1 17 . 1 1 21 21 TYR CB C 21 38.655 38.655 38.524 0.131 25786 6922 1 17 . 1 1 21 21 TYR H H 21 8.679 8.679 7.539 1.140 25786 6923 1 17 . 1 1 22 22 GLN N N 22 117.715 117.715 118.127 -0.412 25786 6924 1 17 . 1 1 22 22 GLN HA H 22 3.826 3.826 4.021 -0.195 25786 6925 1 17 . 1 1 22 22 GLN C C 22 178.197 178.197 178.236 -0.039 25786 6926 1 17 . 1 1 22 22 GLN CA C 22 59.110 59.110 59.224 -0.114 25786 6927 1 17 . 1 1 22 22 GLN CB C 22 27.430 27.430 28.054 -0.624 25786 6928 1 17 . 1 1 22 22 GLN H H 22 8.236 8.236 7.897 0.339 25786 6929 1 17 . 1 1 23 23 GLN N N 23 118.526 118.526 119.141 -0.615 25786 6930 1 17 . 1 1 23 23 GLN HA H 23 4.100 4.100 4.028 0.072 25786 6931 1 17 . 1 1 23 23 GLN C C 23 177.521 177.521 178.665 -1.144 25786 6932 1 17 . 1 1 23 23 GLN CA C 23 58.915 58.915 58.876 0.039 25786 6933 1 17 . 1 1 23 23 GLN CB C 23 29.032 29.032 28.294 0.738 25786 6934 1 17 . 1 1 23 23 GLN H H 23 8.003 8.003 8.004 -0.001 25786 6935 1 17 . 1 1 24 24 LEU N N 24 121.914 121.914 120.844 1.070 25786 6936 1 17 . 1 1 24 24 LEU HA H 24 3.444 3.444 3.021 0.423 25786 6937 1 17 . 1 1 24 24 LEU C C 24 176.882 176.882 178.037 -1.155 25786 6938 1 17 . 1 1 24 24 LEU CA C 24 58.115 58.115 57.842 0.273 25786 6939 1 17 . 1 1 24 24 LEU CB C 24 41.704 41.704 41.453 0.251 25786 6940 1 17 . 1 1 24 24 LEU H H 24 8.031 8.031 8.090 -0.059 25786 6941 1 17 . 1 1 25 25 ARG N N 25 116.645 116.645 118.331 -1.686 25786 6942 1 17 . 1 1 25 25 ARG HA H 25 3.395 3.395 3.652 -0.257 25786 6943 1 17 . 1 1 25 25 ARG C C 25 177.469 177.469 178.255 -0.786 25786 6944 1 17 . 1 1 25 25 ARG CA C 25 60.246 60.246 59.311 0.935 25786 6945 1 17 . 1 1 25 25 ARG CB C 25 29.925 29.925 29.769 0.156 25786 6946 1 17 . 1 1 25 25 ARG H H 25 7.981 7.981 7.865 0.116 25786 6947 1 17 . 1 1 26 26 GLU N N 26 115.943 115.943 120.094 -4.151 25786 6948 1 17 . 1 1 26 26 GLU HA H 26 3.832 3.832 3.940 -0.108 25786 6949 1 17 . 1 1 26 26 GLU C C 26 179.682 179.682 178.821 0.861 25786 6950 1 17 . 1 1 26 26 GLU CA C 26 59.517 59.517 59.648 -0.131 25786 6951 1 17 . 1 1 26 26 GLU CB C 26 29.439 29.439 29.388 0.051 25786 6952 1 17 . 1 1 26 26 GLU H H 26 8.160 8.160 8.343 -0.183 25786 6953 1 17 . 1 1 27 27 ARG N N 27 118.766 118.766 119.316 -0.550 25786 6954 1 17 . 1 1 27 27 ARG HA H 27 4.144 4.144 4.138 0.006 25786 6955 1 17 . 1 1 27 27 ARG C C 27 179.241 179.241 178.950 0.291 25786 6956 1 17 . 1 1 27 27 ARG CA C 27 58.855 58.855 58.375 0.480 25786 6957 1 17 . 1 1 27 27 ARG CB C 27 29.996 29.996 30.003 -0.007 25786 6958 1 17 . 1 1 27 27 ARG H H 27 8.283 8.283 7.643 0.640 25786 6959 1 17 . 1 1 28 28 LEU N N 28 122.077 122.077 120.039 2.038 25786 6960 1 17 . 1 1 28 28 LEU HA H 28 4.106 4.106 4.056 0.050 25786 6961 1 17 . 1 1 28 28 LEU C C 28 178.766 178.766 179.065 -0.299 25786 6962 1 17 . 1 1 28 28 LEU CA C 28 58.558 58.558 57.948 0.610 25786 6963 1 17 . 1 1 28 28 LEU CB C 28 42.514 42.514 41.524 0.990 25786 6964 1 17 . 1 1 28 28 LEU H H 28 8.389 8.389 7.732 0.657 25786 6965 1 17 . 1 1 29 29 ILE N N 29 117.586 117.586 119.741 -2.155 25786 6966 1 17 . 1 1 29 29 ILE HA H 29 3.339 3.339 3.478 -0.139 25786 6967 1 17 . 1 1 29 29 ILE C C 29 177.927 177.927 178.016 -0.089 25786 6968 1 17 . 1 1 29 29 ILE CA C 29 66.203 66.203 65.942 0.261 25786 6969 1 17 . 1 1 29 29 ILE CB C 29 37.823 37.823 37.532 0.291 25786 6970 1 17 . 1 1 29 29 ILE H H 29 7.914 7.914 8.253 -0.339 25786 6971 1 17 . 1 1 30 30 GLN N N 30 116.395 116.395 118.072 -1.677 25786 6972 1 17 . 1 1 30 30 GLN HA H 30 4.157 4.157 3.969 0.188 25786 6973 1 17 . 1 1 30 30 GLN C C 30 179.400 179.400 179.057 0.343 25786 6974 1 17 . 1 1 30 30 GLN CA C 30 58.410 58.410 59.087 -0.677 25786 6975 1 17 . 1 1 30 30 GLN CB C 30 28.804 28.804 28.615 0.189 25786 6976 1 17 . 1 1 30 30 GLN H H 30 7.287 7.287 7.812 -0.525 25786 6977 1 17 . 1 1 31 31 GLU N N 31 120.336 120.336 120.500 -0.164 25786 6978 1 17 . 1 1 31 31 GLU HA H 31 4.023 4.023 4.185 -0.162 25786 6979 1 17 . 1 1 31 31 GLU C C 31 178.395 178.395 178.958 -0.563 25786 6980 1 17 . 1 1 31 31 GLU CA C 31 59.377 59.377 58.748 0.629 25786 6981 1 17 . 1 1 31 31 GLU CB C 31 30.436 30.436 29.889 0.548 25786 6982 1 17 . 1 1 31 31 GLU H H 31 8.814 8.814 8.270 0.544 25786 6983 1 17 . 1 1 32 32 LEU N N 32 115.139 115.139 117.564 -2.425 25786 6984 1 17 . 1 1 32 32 LEU HA H 32 4.377 4.377 4.523 -0.146 25786 6985 1 17 . 1 1 32 32 LEU C C 32 176.033 176.033 176.606 -0.573 25786 6986 1 17 . 1 1 32 32 LEU CA C 32 54.101 54.101 54.136 -0.035 25786 6987 1 17 . 1 1 32 32 LEU CB C 32 41.354 41.354 42.167 -0.813 25786 6988 1 17 . 1 1 32 32 LEU H H 32 8.109 8.109 8.204 -0.095 25786 6989 1 17 . 1 1 33 33 ASN N N 33 116.751 116.751 115.940 0.811 25786 6990 1 17 . 1 1 33 33 ASN HA H 33 4.453 4.453 4.393 0.060 25786 6991 1 17 . 1 1 33 33 ASN C C 33 174.288 174.288 174.320 -0.032 25786 6992 1 17 . 1 1 33 33 ASN CA C 33 54.024 54.024 53.923 0.101 25786 6993 1 17 . 1 1 33 33 ASN CB C 33 36.929 36.929 37.325 -0.396 25786 6994 1 17 . 1 1 33 33 ASN H H 33 7.796 7.796 7.711 0.085 25786 6995 1 17 . 1 1 34 34 LEU N N 34 117.139 117.139 119.088 -1.949 25786 6996 1 17 . 1 1 34 34 LEU HA H 34 4.787 4.787 4.684 0.103 25786 6997 1 17 . 1 1 34 34 LEU C C 34 176.521 176.521 175.309 1.212 25786 6998 1 17 . 1 1 34 34 LEU CA C 34 53.079 53.079 52.408 0.671 25786 6999 1 17 . 1 1 34 34 LEU CB C 34 44.673 44.673 45.413 -0.740 25786 7000 1 17 . 1 1 34 34 LEU H H 34 7.728 7.728 8.125 -0.397 25786 7001 1 17 . 1 1 35 35 THR N N 35 110.751 110.751 109.809 0.942 25786 7002 1 17 . 1 1 35 35 THR HA H 35 4.803 4.803 4.781 0.022 25786 7003 1 17 . 1 1 35 35 THR C C 35 174.438 174.438 173.754 0.684 25786 7004 1 17 . 1 1 35 35 THR CA C 35 59.445 59.445 57.999 1.446 25786 7005 1 17 . 1 1 35 35 THR CB C 35 68.651 68.651 69.917 -1.266 25786 7006 1 17 . 1 1 35 35 THR H H 35 8.001 8.001 7.888 0.113 25786 7007 1 17 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.106 -0.029 25786 7008 1 17 . 1 1 36 36 PRO CA C 36 65.645 65.645 65.754 -0.110 25786 7009 1 17 . 1 1 36 36 PRO CB C 36 31.632 31.632 31.820 -0.188 25786 7010 1 17 . 1 1 37 37 GLN N N 37 112.874 112.874 111.703 1.171 25786 7011 1 17 . 1 1 37 37 GLN HA H 37 4.105 4.105 4.273 -0.168 25786 7012 1 17 . 1 1 37 37 GLN C C 37 176.960 176.960 176.911 0.049 25786 7013 1 17 . 1 1 37 37 GLN CA C 37 57.891 57.891 56.187 1.704 25786 7014 1 17 . 1 1 37 37 GLN CB C 37 27.902 27.902 27.781 0.121 25786 7015 1 17 . 1 1 37 37 GLN H H 37 8.005 8.005 8.388 -0.383 25786 7016 1 17 . 1 1 38 38 GLN N N 38 116.477 116.477 118.919 -2.442 25786 7017 1 17 . 1 1 38 38 GLN HA H 38 4.187 4.187 4.296 -0.109 25786 7018 1 17 . 1 1 38 38 GLN C C 38 175.508 175.508 176.832 -1.324 25786 7019 1 17 . 1 1 38 38 GLN CA C 38 56.398 56.398 56.252 0.146 25786 7020 1 17 . 1 1 38 38 GLN CB C 38 31.126 31.126 29.761 1.365 25786 7021 1 17 . 1 1 38 38 GLN H H 38 7.663 7.663 7.650 0.013 25786 7022 1 17 . 1 1 39 39 LEU N N 39 120.726 120.726 122.678 -1.952 25786 7023 1 17 . 1 1 39 39 LEU HA H 39 4.371 4.371 4.473 -0.102 25786 7024 1 17 . 1 1 39 39 LEU C C 39 174.277 174.277 174.845 -0.568 25786 7025 1 17 . 1 1 39 39 LEU CA C 39 53.959 53.959 53.588 0.371 25786 7026 1 17 . 1 1 39 39 LEU CB C 39 41.610 41.610 41.700 -0.090 25786 7027 1 17 . 1 1 39 39 LEU H H 39 7.286 7.286 7.807 -0.521 25786 7028 1 17 . 1 1 40 40 HIS N N 40 124.680 124.680 125.808 -1.128 25786 7029 1 17 . 1 1 40 40 HIS HA H 40 4.808 4.808 4.501 0.307 25786 7030 1 17 . 1 1 40 40 HIS C C 40 176.727 176.727 176.313 0.414 25786 7031 1 17 . 1 1 40 40 HIS CA C 40 54.762 54.762 56.730 -1.968 25786 7032 1 17 . 1 1 40 40 HIS CB C 40 31.521 31.521 32.677 -1.156 25786 7033 1 17 . 1 1 40 40 HIS H H 40 8.158 8.158 8.138 0.020 25786 7034 1 17 . 1 1 41 41 GLU HA H 41 4.029 4.029 3.766 0.263 25786 7035 1 17 . 1 1 42 42 GLU N N 42 113.813 113.813 116.947 -3.134 25786 7036 1 17 . 1 1 42 42 GLU HA H 42 4.547 4.547 4.260 0.287 25786 7037 1 17 . 1 1 42 42 GLU C C 42 176.680 176.680 175.609 1.071 25786 7038 1 17 . 1 1 42 42 GLU CA C 42 55.313 55.313 55.086 0.227 25786 7039 1 17 . 1 1 42 42 GLU CB C 42 29.165 29.165 27.792 1.373 25786 7040 1 17 . 1 1 42 42 GLU H H 42 8.808 8.808 8.018 0.790 25786 7041 1 17 . 1 1 43 43 SER N N 43 118.066 118.066 117.574 0.492 25786 7042 1 17 . 1 1 43 43 SER HA H 43 4.088 4.088 4.334 -0.246 25786 7043 1 17 . 1 1 43 43 SER C C 43 173.663 173.663 173.811 -0.148 25786 7044 1 17 . 1 1 43 43 SER CA C 43 60.156 60.156 58.980 1.176 25786 7045 1 17 . 1 1 43 43 SER CB C 43 62.827 62.827 63.652 -0.825 25786 7046 1 17 . 1 1 43 43 SER H H 43 7.485 7.485 7.686 -0.201 25786 7047 1 17 . 1 1 44 44 ASN N N 44 123.218 123.218 124.129 -0.911 25786 7048 1 17 . 1 1 44 44 ASN HA H 44 4.392 4.392 4.799 -0.407 25786 7049 1 17 . 1 1 44 44 ASN C C 44 176.926 176.926 176.322 0.604 25786 7050 1 17 . 1 1 44 44 ASN CA C 44 53.987 53.987 53.455 0.532 25786 7051 1 17 . 1 1 44 44 ASN CB C 44 38.433 38.433 38.643 -0.210 25786 7052 1 17 . 1 1 44 44 ASN H H 44 8.811 8.811 8.849 -0.038 25786 7053 1 17 . 1 1 45 45 LEU N N 45 128.735 128.735 125.836 2.899 25786 7054 1 17 . 1 1 45 45 LEU HA H 45 3.722 3.722 4.007 -0.285 25786 7055 1 17 . 1 1 45 45 LEU C C 45 178.143 178.143 178.422 -0.279 25786 7056 1 17 . 1 1 45 45 LEU CA C 45 57.149 57.149 57.511 -0.362 25786 7057 1 17 . 1 1 45 45 LEU CB C 45 42.250 42.250 41.949 0.301 25786 7058 1 17 . 1 1 45 45 LEU H H 45 9.385 9.385 8.608 0.777 25786 7059 1 17 . 1 1 46 46 ILE N N 46 119.379 119.379 118.696 0.683 25786 7060 1 17 . 1 1 46 46 ILE HA H 46 4.187 4.187 4.272 -0.085 25786 7061 1 17 . 1 1 46 46 ILE C C 46 180.926 180.926 178.958 1.968 25786 7062 1 17 . 1 1 46 46 ILE CA C 46 63.814 63.814 64.370 -0.555 25786 7063 1 17 . 1 1 46 46 ILE CB C 46 36.709 36.709 37.957 -1.248 25786 7064 1 17 . 1 1 46 46 ILE H H 46 7.659 7.659 8.174 -0.515 25786 7065 1 17 . 1 1 47 47 GLN N N 47 121.737 121.737 118.323 3.414 25786 7066 1 17 . 1 1 47 47 GLN HA H 47 3.989 3.989 4.199 -0.210 25786 7067 1 17 . 1 1 47 47 GLN C C 47 177.739 177.739 176.432 1.307 25786 7068 1 17 . 1 1 47 47 GLN CA C 47 58.033 58.033 57.610 0.423 25786 7069 1 17 . 1 1 47 47 GLN CB C 47 27.985 27.985 28.844 -0.859 25786 7070 1 17 . 1 1 47 47 GLN H H 47 8.161 8.161 8.019 0.142 25786 7071 1 17 . 1 1 48 48 ALA N N 48 117.777 117.777 121.299 -3.522 25786 7072 1 17 . 1 1 48 48 ALA HA H 48 4.260 4.260 4.495 -0.235 25786 7073 1 17 . 1 1 48 48 ALA C C 48 176.582 176.582 177.769 -1.187 25786 7074 1 17 . 1 1 48 48 ALA CA C 48 52.710 52.710 52.596 0.114 25786 7075 1 17 . 1 1 48 48 ALA CB C 48 18.601 18.601 20.239 -1.638 25786 7076 1 17 . 1 1 48 48 ALA H H 48 7.448 7.448 7.204 0.244 25786 7077 1 17 . 1 1 49 49 GLY N N 49 102.932 102.932 105.448 -2.516 25786 7078 1 17 . 1 1 49 49 GLY C C 49 174.451 174.451 172.225 2.226 25786 7079 1 17 . 1 1 49 49 GLY CA C 49 44.967 44.967 45.563 -0.596 25786 7080 1 17 . 1 1 49 49 GLY H H 49 7.445 7.445 8.288 -0.843 25786 7081 1 17 . 1 1 50 50 LEU N N 50 123.058 123.058 121.998 1.060 25786 7082 1 17 . 1 1 50 50 LEU HA H 50 4.257 4.257 4.929 -0.672 25786 7083 1 17 . 1 1 50 50 LEU C C 50 173.460 173.460 174.718 -1.258 25786 7084 1 17 . 1 1 50 50 LEU CA C 50 55.909 55.909 53.711 2.198 25786 7085 1 17 . 1 1 50 50 LEU CB C 50 41.454 41.454 45.514 -4.060 25786 7086 1 17 . 1 1 50 50 LEU H H 50 8.545 8.545 7.512 1.033 25786 7087 1 17 . 1 1 54 54 ARG N N 54 121.407 121.407 121.837 -0.430 25786 7088 1 17 . 1 1 54 54 ARG HA H 54 4.088 4.088 3.899 0.189 25786 7089 1 17 . 1 1 54 54 ARG C C 54 179.647 179.647 177.771 1.876 25786 7090 1 17 . 1 1 54 54 ARG CA C 54 59.615 59.615 58.958 0.657 25786 7091 1 17 . 1 1 54 54 ARG CB C 54 30.633 30.633 30.775 -0.142 25786 7092 1 17 . 1 1 54 54 ARG H H 54 8.412 8.412 8.979 -0.567 25786 7093 1 17 . 1 1 55 55 LEU N N 55 121.118 121.118 121.095 0.023 25786 7094 1 17 . 1 1 55 55 LEU HA H 55 4.332 4.332 4.340 -0.008 25786 7095 1 17 . 1 1 55 55 LEU C C 55 178.416 178.416 178.255 0.161 25786 7096 1 17 . 1 1 55 55 LEU CA C 55 59.035 59.035 58.528 0.507 25786 7097 1 17 . 1 1 55 55 LEU CB C 55 41.718 41.718 41.365 0.353 25786 7098 1 17 . 1 1 55 55 LEU H H 55 9.050 9.050 8.136 0.914 25786 7099 1 17 . 1 1 56 56 MET N N 56 117.969 117.969 114.807 3.162 25786 7100 1 17 . 1 1 56 56 MET HA H 56 4.284 4.284 3.983 0.301 25786 7101 1 17 . 1 1 56 56 MET C C 56 178.301 178.301 178.012 0.289 25786 7102 1 17 . 1 1 56 56 MET CA C 56 57.927 57.927 58.543 -0.616 25786 7103 1 17 . 1 1 56 56 MET CB C 56 31.317 31.317 31.563 -0.246 25786 7104 1 17 . 1 1 56 56 MET H H 56 7.875 7.875 7.785 0.090 25786 7105 1 17 . 1 1 57 57 ARG N N 57 119.532 119.532 121.045 -1.513 25786 7106 1 17 . 1 1 57 57 ARG HA H 57 4.096 4.096 4.093 0.003 25786 7107 1 17 . 1 1 57 57 ARG C C 57 180.458 180.458 178.364 2.094 25786 7108 1 17 . 1 1 57 57 ARG CA C 57 59.770 59.770 59.452 0.319 25786 7109 1 17 . 1 1 57 57 ARG CB C 57 29.520 29.520 30.061 -0.541 25786 7110 1 17 . 1 1 57 57 ARG H H 57 7.609 7.609 7.928 -0.319 25786 7111 1 17 . 1 1 58 58 TRP N N 58 121.820 121.820 119.633 2.187 25786 7112 1 17 . 1 1 58 58 TRP HA H 58 4.465 4.465 4.373 0.092 25786 7113 1 17 . 1 1 58 58 TRP C C 58 177.973 177.973 178.799 -0.826 25786 7114 1 17 . 1 1 58 58 TRP CA C 58 61.063 61.063 59.559 1.504 25786 7115 1 17 . 1 1 58 58 TRP CB C 58 28.348 28.348 29.385 -1.037 25786 7116 1 17 . 1 1 58 58 TRP H H 58 8.207 8.207 7.933 0.274 25786 7117 1 17 . 1 1 59 59 LEU N N 59 121.654 121.654 121.126 0.528 25786 7118 1 17 . 1 1 59 59 LEU HA H 59 4.274 4.274 4.004 0.270 25786 7119 1 17 . 1 1 59 59 LEU C C 59 178.823 178.823 178.165 0.658 25786 7120 1 17 . 1 1 59 59 LEU CA C 59 59.044 59.044 58.845 0.199 25786 7121 1 17 . 1 1 59 59 LEU CB C 59 40.851 40.851 41.217 -0.366 25786 7122 1 17 . 1 1 59 59 LEU H H 59 8.599 8.599 8.072 0.527 25786 7123 1 17 . 1 1 60 60 HIS N N 60 116.952 116.952 116.922 0.030 25786 7124 1 17 . 1 1 60 60 HIS HA H 60 4.389 4.389 4.365 0.024 25786 7125 1 17 . 1 1 60 60 HIS C C 60 177.635 177.635 177.704 -0.069 25786 7126 1 17 . 1 1 60 60 HIS CA C 60 59.755 59.755 59.854 -0.099 25786 7127 1 17 . 1 1 60 60 HIS CB C 60 30.083 30.083 29.573 0.510 25786 7128 1 17 . 1 1 60 60 HIS H H 60 7.909 7.909 7.173 0.736 25786 7129 1 17 . 1 1 61 61 TRP N N 61 123.194 123.194 122.826 0.368 25786 7130 1 17 . 1 1 61 61 TRP HA H 61 4.032 4.032 4.293 -0.261 25786 7131 1 17 . 1 1 61 61 TRP C C 61 179.298 179.298 178.920 0.378 25786 7132 1 17 . 1 1 61 61 TRP CA C 61 62.541 62.541 61.756 0.785 25786 7133 1 17 . 1 1 61 61 TRP CB C 61 28.839 28.839 29.015 -0.176 25786 7134 1 17 . 1 1 61 61 TRP H H 61 8.142 8.142 8.196 -0.054 25786 7135 1 17 . 1 1 62 62 PHE N N 62 120.038 120.038 118.652 1.386 25786 7136 1 17 . 1 1 62 62 PHE HA H 62 4.205 4.205 3.990 0.215 25786 7137 1 17 . 1 1 62 62 PHE C C 62 179.080 179.080 178.547 0.533 25786 7138 1 17 . 1 1 62 62 PHE CA C 62 63.629 63.629 61.944 1.685 25786 7139 1 17 . 1 1 62 62 PHE CB C 62 38.664 38.664 38.535 0.129 25786 7140 1 17 . 1 1 62 62 PHE H H 62 9.447 9.447 8.768 0.679 25786 7141 1 17 . 1 1 63 63 ARG N N 63 118.560 118.560 120.285 -1.725 25786 7142 1 17 . 1 1 63 63 ARG HA H 63 4.258 4.258 4.416 -0.158 25786 7143 1 17 . 1 1 63 63 ARG C C 63 181.328 181.328 178.231 3.097 25786 7144 1 17 . 1 1 63 63 ARG CA C 63 59.257 59.257 57.531 1.726 25786 7145 1 17 . 1 1 63 63 ARG CB C 63 29.697 29.697 29.897 -0.200 25786 7146 1 17 . 1 1 63 63 ARG H H 63 8.665 8.665 8.526 0.139 25786 7147 1 17 . 1 1 64 64 LYS N N 64 122.759 122.759 117.538 5.221 25786 7148 1 17 . 1 1 64 64 LYS HA H 64 4.019 4.019 4.206 -0.187 25786 7149 1 17 . 1 1 64 64 LYS C C 64 177.595 177.595 177.388 0.207 25786 7150 1 17 . 1 1 64 64 LYS CA C 64 58.651 58.651 57.951 0.700 25786 7151 1 17 . 1 1 64 64 LYS CB C 64 31.510 31.510 32.582 -1.072 25786 7152 1 17 . 1 1 64 64 LYS H H 64 8.690 8.690 8.217 0.473 25786 7153 1 17 . 1 1 65 65 ASN N N 65 115.681 115.681 116.020 -0.339 25786 7154 1 17 . 1 1 65 65 ASN HA H 65 4.532 4.532 4.756 -0.224 25786 7155 1 17 . 1 1 65 65 ASN C C 65 173.405 173.405 174.383 -0.978 25786 7156 1 17 . 1 1 65 65 ASN CA C 65 53.685 53.685 51.890 1.795 25786 7157 1 17 . 1 1 65 65 ASN CB C 65 39.038 39.038 39.147 -0.109 25786 7158 1 17 . 1 1 65 65 ASN H H 65 7.246 7.246 7.659 -0.413 25786 7159 1 17 . 1 1 66 66 GLY N N 66 105.186 105.186 105.963 -0.777 25786 7160 1 17 . 1 1 66 66 GLY C C 66 173.869 173.869 173.009 0.860 25786 7161 1 17 . 1 1 66 66 GLY CA C 66 45.539 45.539 44.989 0.551 25786 7162 1 17 . 1 1 66 66 GLY H H 66 7.603 7.603 7.592 0.011 25786 7163 1 17 . 1 1 67 67 TYR N N 67 119.699 119.699 118.522 1.177 25786 7164 1 17 . 1 1 67 67 TYR HA H 67 4.542 4.542 4.648 -0.106 25786 7165 1 17 . 1 1 67 67 TYR C C 67 175.838 175.838 175.212 0.626 25786 7166 1 17 . 1 1 67 67 TYR CA C 67 57.858 57.858 56.631 1.227 25786 7167 1 17 . 1 1 67 67 TYR CB C 67 38.564 38.564 40.794 -2.230 25786 7168 1 17 . 1 1 67 67 TYR H H 67 8.248 8.248 7.927 0.321 25786 7169 1 17 . 1 1 68 68 ARG N N 68 125.588 125.588 127.273 -1.685 25786 7170 1 17 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.405 -0.016 25786 7171 1 17 . 1 1 68 68 ARG C C 68 174.479 174.479 174.600 -0.121 25786 7172 1 17 . 1 1 68 68 ARG CA C 68 55.649 55.649 56.150 -0.501 25786 7173 1 17 . 1 1 68 68 ARG CB C 68 28.357 28.357 28.956 -0.599 25786 7174 1 17 . 1 1 68 68 ARG H H 68 8.550 8.550 9.080 -0.530 25786 7175 1 17 . 1 1 69 69 LEU N N 69 122.034 122.034 124.756 -2.722 25786 7176 1 17 . 1 1 69 69 LEU HA H 69 4.711 4.711 4.662 0.049 25786 7177 1 17 . 1 1 69 69 LEU C C 69 175.630 175.630 175.784 -0.154 25786 7178 1 17 . 1 1 69 69 LEU CA C 69 53.367 53.367 53.383 -0.016 25786 7179 1 17 . 1 1 69 69 LEU CB C 69 44.286 44.286 45.181 -0.895 25786 7180 1 17 . 1 1 69 69 LEU H H 69 7.421 7.421 7.803 -0.382 25786 7181 1 17 . 1 1 70 70 THR N N 70 109.789 109.789 111.236 -1.447 25786 7182 1 17 . 1 1 70 70 THR HA H 70 4.721 4.721 4.561 0.160 25786 7183 1 17 . 1 1 70 70 THR C C 70 174.636 174.636 174.872 -0.236 25786 7184 1 17 . 1 1 70 70 THR CA C 70 59.377 59.377 59.702 -0.325 25786 7185 1 17 . 1 1 70 70 THR CB C 70 72.180 72.180 70.822 1.359 25786 7186 1 17 . 1 1 70 70 THR H H 70 8.163 8.163 7.950 0.213 25786 7187 1 17 . 1 1 71 71 LEU N N 71 122.563 122.563 122.769 -0.206 25786 7188 1 17 . 1 1 71 71 LEU HA H 71 3.885 3.885 4.086 -0.201 25786 7189 1 17 . 1 1 71 71 LEU C C 71 178.632 178.632 178.301 0.331 25786 7190 1 17 . 1 1 71 71 LEU CA C 71 58.196 58.196 57.402 0.794 25786 7191 1 17 . 1 1 71 71 LEU CB C 71 41.940 41.940 41.962 -0.022 25786 7192 1 17 . 1 1 71 71 LEU H H 71 8.825 8.825 8.481 0.344 25786 7193 1 17 . 1 1 72 72 ARG N N 72 115.949 115.949 118.674 -2.725 25786 7194 1 17 . 1 1 72 72 ARG HA H 72 3.876 3.876 3.988 -0.112 25786 7195 1 17 . 1 1 72 72 ARG C C 72 178.893 178.893 178.307 0.586 25786 7196 1 17 . 1 1 72 72 ARG CA C 72 59.147 59.147 59.567 -0.420 25786 7197 1 17 . 1 1 72 72 ARG CB C 72 29.631 29.631 29.673 -0.042 25786 7198 1 17 . 1 1 72 72 ARG H H 72 8.244 8.244 8.241 0.003 25786 7199 1 17 . 1 1 73 73 GLU N N 73 117.665 117.665 118.040 -0.375 25786 7200 1 17 . 1 1 73 73 GLU HA H 73 3.951 3.951 4.065 -0.114 25786 7201 1 17 . 1 1 73 73 GLU C C 73 178.762 178.762 179.333 -0.571 25786 7202 1 17 . 1 1 73 73 GLU CA C 73 59.092 59.092 59.254 -0.162 25786 7203 1 17 . 1 1 73 73 GLU CB C 73 29.739 29.739 29.096 0.643 25786 7204 1 17 . 1 1 73 73 GLU H H 73 7.461 7.461 7.826 -0.365 25786 7205 1 17 . 1 1 74 74 LEU N N 74 117.724 117.724 118.497 -0.773 25786 7206 1 17 . 1 1 74 74 LEU HA H 74 3.898 3.898 4.651 -0.753 25786 7207 1 17 . 1 1 74 74 LEU C C 74 179.355 179.355 178.720 0.635 25786 7208 1 17 . 1 1 74 74 LEU CA C 74 57.469 57.469 56.183 1.286 25786 7209 1 17 . 1 1 74 74 LEU CB C 74 41.619 41.619 41.609 0.010 25786 7210 1 17 . 1 1 74 74 LEU H H 74 7.413 7.413 7.517 -0.104 25786 7211 1 17 . 1 1 75 75 TYR N N 75 114.976 114.976 120.084 -5.108 25786 7212 1 17 . 1 1 75 75 TYR HA H 75 4.054 4.054 4.353 -0.299 25786 7213 1 17 . 1 1 75 75 TYR C C 75 176.656 176.656 177.133 -0.477 25786 7214 1 17 . 1 1 75 75 TYR CA C 75 60.638 60.638 58.750 1.888 25786 7215 1 17 . 1 1 75 75 TYR CB C 75 39.688 39.688 38.699 0.989 25786 7216 1 17 . 1 1 75 75 TYR H H 75 8.086 8.086 8.032 0.054 25786 7217 1 17 . 1 1 76 76 ALA N N 76 119.116 119.116 121.044 -1.928 25786 7218 1 17 . 1 1 76 76 ALA HA H 76 4.052 4.052 4.163 -0.111 25786 7219 1 17 . 1 1 76 76 ALA C C 76 178.156 178.156 176.680 1.476 25786 7220 1 17 . 1 1 76 76 ALA CA C 76 54.468 54.468 53.123 1.345 25786 7221 1 17 . 1 1 76 76 ALA CB C 76 18.535 18.535 19.613 -1.078 25786 7222 1 17 . 1 1 76 76 ALA H H 76 7.776 7.776 8.083 -0.307 25786 7223 1 17 . 1 1 77 77 ALA N N 77 116.862 116.862 121.066 -4.204 25786 7224 1 17 . 1 1 77 77 ALA C C 77 173.737 173.737 174.383 -0.646 25786 7225 1 17 . 1 1 77 77 ALA CA C 77 49.713 49.713 49.490 0.223 25786 7226 1 17 . 1 1 77 77 ALA CB C 77 19.226 19.226 19.612 -0.386 25786 7227 1 17 . 1 1 77 77 ALA H H 77 6.706 6.706 7.681 -0.975 25786 7228 1 17 . 1 1 78 78 PRO HA H 78 5.018 5.018 5.091 -0.073 25786 7229 1 17 . 1 1 78 78 PRO CA C 78 61.523 61.523 62.471 -0.948 25786 7230 1 17 . 1 1 78 78 PRO CB C 78 28.845 28.845 30.059 -1.214 25786 7231 1 17 . 1 1 79 79 THR N N 79 111.947 111.947 112.342 -0.395 25786 7232 1 17 . 1 1 79 79 THR HA H 79 4.396 4.396 4.646 -0.250 25786 7233 1 17 . 1 1 79 79 THR C C 79 173.000 173.000 174.408 -1.408 25786 7234 1 17 . 1 1 79 79 THR CA C 79 58.059 58.059 59.014 -0.955 25786 7235 1 17 . 1 1 79 79 THR CB C 79 72.247 72.247 72.544 -0.297 25786 7236 1 17 . 1 1 79 79 THR H H 79 7.664 7.664 7.069 0.595 25786 7237 1 17 . 1 1 80 80 LEU N N 80 123.227 123.227 123.206 0.021 25786 7238 1 17 . 1 1 80 80 LEU HA H 80 3.747 3.747 3.792 -0.045 25786 7239 1 17 . 1 1 80 80 LEU C C 80 179.028 179.028 178.171 0.857 25786 7240 1 17 . 1 1 80 80 LEU CA C 80 58.209 58.209 57.228 0.981 25786 7241 1 17 . 1 1 80 80 LEU CB C 80 41.579 41.579 40.976 0.603 25786 7242 1 17 . 1 1 80 80 LEU H H 80 9.609 9.609 8.898 0.711 25786 7243 1 17 . 1 1 81 81 ALA N N 81 119.663 119.663 120.695 -1.032 25786 7244 1 17 . 1 1 81 81 ALA HA H 81 4.141 4.141 4.201 -0.060 25786 7245 1 17 . 1 1 81 81 ALA C C 81 181.038 181.038 178.853 2.185 25786 7246 1 17 . 1 1 81 81 ALA CA C 81 54.876 54.876 54.994 -0.118 25786 7247 1 17 . 1 1 81 81 ALA CB C 81 18.428 18.428 18.134 0.294 25786 7248 1 17 . 1 1 81 81 ALA H H 81 8.831 8.831 8.855 -0.024 25786 7249 1 17 . 1 1 82 82 ALA N N 82 122.181 122.181 122.037 0.144 25786 7250 1 17 . 1 1 82 82 ALA HA H 82 4.225 4.225 4.177 0.048 25786 7251 1 17 . 1 1 82 82 ALA C C 82 181.868 181.868 179.673 2.195 25786 7252 1 17 . 1 1 82 82 ALA CA C 82 54.808 54.808 54.982 -0.174 25786 7253 1 17 . 1 1 82 82 ALA CB C 82 19.088 19.088 18.266 0.822 25786 7254 1 17 . 1 1 82 82 ALA H H 82 8.272 8.272 8.000 0.272 25786 7255 1 17 . 1 1 83 83 TRP N N 83 123.399 123.399 118.600 4.799 25786 7256 1 17 . 1 1 83 83 TRP HA H 83 4.543 4.543 4.286 0.257 25786 7257 1 17 . 1 1 83 83 TRP C C 83 178.633 178.633 178.830 -0.197 25786 7258 1 17 . 1 1 83 83 TRP CA C 83 59.562 59.562 59.044 0.518 25786 7259 1 17 . 1 1 83 83 TRP CB C 83 28.301 28.301 28.348 -0.047 25786 7260 1 17 . 1 1 83 83 TRP H H 83 9.378 9.378 7.881 1.497 25786 7261 1 17 . 1 1 84 84 ASN N N 84 118.250 118.250 117.638 0.612 25786 7262 1 17 . 1 1 84 84 ASN HA H 84 4.616 4.616 4.504 0.112 25786 7263 1 17 . 1 1 84 84 ASN C C 84 177.231 177.231 178.037 -0.806 25786 7264 1 17 . 1 1 84 84 ASN CA C 84 57.096 57.096 56.492 0.605 25786 7265 1 17 . 1 1 84 84 ASN CB C 84 39.229 39.229 38.005 1.224 25786 7266 1 17 . 1 1 84 84 ASN H H 84 9.136 9.136 8.659 0.477 25786 7267 1 17 . 1 1 85 85 GLN N N 85 116.261 116.261 118.875 -2.614 25786 7268 1 17 . 1 1 85 85 GLN HA H 85 4.011 4.011 4.180 -0.169 25786 7269 1 17 . 1 1 85 85 GLN C C 85 179.455 179.455 178.784 0.671 25786 7270 1 17 . 1 1 85 85 GLN CA C 85 58.748 58.748 58.731 0.017 25786 7271 1 17 . 1 1 85 85 GLN CB C 85 27.840 27.840 28.606 -0.766 25786 7272 1 17 . 1 1 85 85 GLN H H 85 7.511 7.511 7.843 -0.332 25786 7273 1 17 . 1 1 86 86 LEU N N 86 121.554 121.554 118.073 3.481 25786 7274 1 17 . 1 1 86 86 LEU HA H 86 4.041 4.041 4.097 -0.056 25786 7275 1 17 . 1 1 86 86 LEU C C 86 179.171 179.171 178.088 1.083 25786 7276 1 17 . 1 1 86 86 LEU CA C 86 57.804 57.804 56.861 0.944 25786 7277 1 17 . 1 1 86 86 LEU CB C 86 41.915 41.915 41.585 0.330 25786 7278 1 17 . 1 1 86 86 LEU H H 86 8.172 8.172 8.155 0.017 25786 7279 1 17 . 1 1 87 87 MET N N 87 117.874 117.874 115.687 2.187 25786 7280 1 17 . 1 1 87 87 MET HA H 87 3.752 3.752 4.387 -0.635 25786 7281 1 17 . 1 1 87 87 MET C C 87 178.221 178.221 177.570 0.651 25786 7282 1 17 . 1 1 87 87 MET CA C 87 59.481 59.481 58.205 1.276 25786 7283 1 17 . 1 1 87 87 MET CB C 87 34.875 34.875 33.675 1.200 25786 7284 1 17 . 1 1 87 87 MET H H 87 8.197 8.197 7.568 0.629 25786 7285 1 17 . 1 1 88 88 LEU N N 88 117.598 117.598 119.313 -1.715 25786 7286 1 17 . 1 1 88 88 LEU HA H 88 4.054 4.054 4.333 -0.279 25786 7287 1 17 . 1 1 88 88 LEU C C 88 179.237 179.237 178.824 0.413 25786 7288 1 17 . 1 1 88 88 LEU CA C 88 57.076 57.076 57.732 -0.656 25786 7289 1 17 . 1 1 88 88 LEU CB C 88 42.395 42.395 42.732 -0.337 25786 7290 1 17 . 1 1 88 88 LEU H H 88 7.902 7.902 7.917 -0.015 25786 7291 1 17 . 1 1 89 89 SER N N 89 113.195 113.195 115.148 -1.953 25786 7292 1 17 . 1 1 89 89 SER HA H 89 4.038 4.038 4.364 -0.326 25786 7293 1 17 . 1 1 89 89 SER C C 89 175.090 175.090 175.142 -0.052 25786 7294 1 17 . 1 1 89 89 SER CA C 89 59.901 59.901 60.382 -0.481 25786 7295 1 17 . 1 1 89 89 SER CB C 89 63.834 63.834 62.793 1.041 25786 7296 1 17 . 1 1 89 89 SER H H 89 7.958 7.958 8.124 -0.166 25786 7297 1 17 . 1 1 90 90 ARG N N 90 122.031 122.031 120.994 1.037 25786 7298 1 17 . 1 1 90 90 ARG HA H 90 4.701 4.701 4.452 0.249 25786 7299 1 17 . 1 1 90 90 ARG C C 90 175.695 175.695 174.983 0.712 25786 7300 1 17 . 1 1 90 90 ARG CA C 90 53.905 53.905 56.097 -2.192 25786 7301 1 17 . 1 1 90 90 ARG CB C 90 29.631 29.631 31.194 -1.563 25786 7302 1 17 . 1 1 90 90 ARG H H 90 7.923 7.923 7.672 0.251 25786 7303 1 17 . 1 1 91 91 SER N N 91 117.191 117.191 113.657 3.534 25786 7304 1 17 . 1 1 91 91 SER C C 91 172.914 172.914 171.876 1.038 25786 7305 1 17 . 1 1 91 91 SER CA C 91 57.104 57.104 58.176 -1.072 25786 7306 1 17 . 1 1 91 91 SER CB C 91 63.437 63.437 62.840 0.597 25786 7307 1 17 . 1 1 91 91 SER H H 91 7.752 7.752 8.004 -0.252 25786 7308 1 17 . 1 1 92 92 PRO HA H 92 4.420 4.420 4.230 0.190 25786 7309 1 17 . 1 1 92 92 PRO CA C 92 63.414 63.414 62.619 0.795 25786 7310 1 17 . 1 1 92 92 PRO CB C 92 31.895 31.895 31.717 0.178 25786 7311 1 18 . 1 1 15 15 ASN N N 15 119.857 119.857 118.298 1.559 25786 7312 1 18 . 1 1 15 15 ASN HA H 15 4.719 4.719 4.939 -0.220 25786 7313 1 18 . 1 1 15 15 ASN C C 15 175.735 175.735 175.994 -0.259 25786 7314 1 18 . 1 1 15 15 ASN CA C 15 53.556 53.556 53.422 0.134 25786 7315 1 18 . 1 1 15 15 ASN CB C 15 38.731 38.731 40.247 -1.516 25786 7316 1 18 . 1 1 15 15 ASN H H 15 8.425 8.425 8.288 0.137 25786 7317 1 18 . 1 1 16 16 ARG N N 16 122.030 122.030 118.578 3.452 25786 7318 1 18 . 1 1 16 16 ARG HA H 16 4.211 4.211 3.867 0.344 25786 7319 1 18 . 1 1 16 16 ARG C C 16 176.669 176.669 178.160 -1.491 25786 7320 1 18 . 1 1 16 16 ARG CA C 16 57.735 57.735 58.795 -1.060 25786 7321 1 18 . 1 1 16 16 ARG CB C 16 30.224 30.224 28.543 1.681 25786 7322 1 18 . 1 1 16 16 ARG H H 16 8.347 8.347 8.289 0.058 25786 7323 1 18 . 1 1 17 17 HIS N N 17 118.590 118.590 119.958 -1.368 25786 7324 1 18 . 1 1 17 17 HIS HA H 17 4.563 4.563 4.569 -0.006 25786 7325 1 18 . 1 1 17 17 HIS C C 17 176.284 176.284 176.952 -0.668 25786 7326 1 18 . 1 1 17 17 HIS CA C 17 58.394 58.394 58.384 0.010 25786 7327 1 18 . 1 1 17 17 HIS CB C 17 30.362 30.362 30.180 0.182 25786 7328 1 18 . 1 1 17 17 HIS H H 17 8.395 8.395 8.195 0.200 25786 7329 1 18 . 1 1 18 18 ALA N N 18 122.047 122.047 122.568 -0.521 25786 7330 1 18 . 1 1 18 18 ALA HA H 18 4.182 4.182 4.277 -0.095 25786 7331 1 18 . 1 1 18 18 ALA C C 18 180.003 180.003 178.970 1.033 25786 7332 1 18 . 1 1 18 18 ALA CA C 18 54.294 54.294 54.502 -0.207 25786 7333 1 18 . 1 1 18 18 ALA CB C 18 18.849 18.849 18.011 0.838 25786 7334 1 18 . 1 1 18 18 ALA H H 18 8.436 8.436 8.406 0.030 25786 7335 1 18 . 1 1 19 19 ALA N N 19 122.607 122.607 121.237 1.370 25786 7336 1 18 . 1 1 19 19 ALA HA H 19 4.275 4.275 4.273 0.002 25786 7337 1 18 . 1 1 19 19 ALA C C 19 180.295 180.295 179.396 0.899 25786 7338 1 18 . 1 1 19 19 ALA CA C 19 55.040 55.040 54.620 0.420 25786 7339 1 18 . 1 1 19 19 ALA CB C 19 18.267 18.267 18.617 -0.350 25786 7340 1 18 . 1 1 19 19 ALA H H 19 8.402 8.402 7.744 0.658 25786 7341 1 18 . 1 1 20 20 ASP N N 20 118.796 118.796 119.574 -0.778 25786 7342 1 18 . 1 1 20 20 ASP HA H 20 4.837 4.837 4.600 0.237 25786 7343 1 18 . 1 1 20 20 ASP C C 20 177.313 177.313 177.336 -0.023 25786 7344 1 18 . 1 1 20 20 ASP CA C 20 56.725 56.725 56.182 0.543 25786 7345 1 18 . 1 1 20 20 ASP CB C 20 40.189 40.189 40.962 -0.774 25786 7346 1 18 . 1 1 20 20 ASP H H 20 8.317 8.317 8.390 -0.073 25786 7347 1 18 . 1 1 21 21 TYR N N 21 120.958 120.958 119.487 1.471 25786 7348 1 18 . 1 1 21 21 TYR HA H 21 4.058 4.058 4.455 -0.397 25786 7349 1 18 . 1 1 21 21 TYR C C 21 176.282 176.282 177.399 -1.117 25786 7350 1 18 . 1 1 21 21 TYR CA C 21 61.892 61.892 60.376 1.516 25786 7351 1 18 . 1 1 21 21 TYR CB C 21 38.655 38.655 38.076 0.579 25786 7352 1 18 . 1 1 21 21 TYR H H 21 8.679 8.679 7.914 0.765 25786 7353 1 18 . 1 1 22 22 GLN N N 22 117.715 117.715 119.035 -1.320 25786 7354 1 18 . 1 1 22 22 GLN HA H 22 3.826 3.826 3.486 0.340 25786 7355 1 18 . 1 1 22 22 GLN C C 22 178.197 178.197 178.059 0.138 25786 7356 1 18 . 1 1 22 22 GLN CA C 22 59.110 59.110 59.006 0.104 25786 7357 1 18 . 1 1 22 22 GLN CB C 22 27.430 27.430 27.615 -0.185 25786 7358 1 18 . 1 1 22 22 GLN H H 22 8.236 8.236 7.723 0.513 25786 7359 1 18 . 1 1 23 23 GLN N N 23 118.526 118.526 118.725 -0.199 25786 7360 1 18 . 1 1 23 23 GLN HA H 23 4.100 4.100 4.373 -0.273 25786 7361 1 18 . 1 1 23 23 GLN C C 23 177.521 177.521 178.758 -1.237 25786 7362 1 18 . 1 1 23 23 GLN CA C 23 58.915 58.915 58.770 0.145 25786 7363 1 18 . 1 1 23 23 GLN CB C 23 29.032 29.032 27.949 1.083 25786 7364 1 18 . 1 1 23 23 GLN H H 23 8.003 8.003 7.693 0.310 25786 7365 1 18 . 1 1 24 24 LEU N N 24 121.914 121.914 121.294 0.620 25786 7366 1 18 . 1 1 24 24 LEU HA H 24 3.444 3.444 3.192 0.252 25786 7367 1 18 . 1 1 24 24 LEU C C 24 176.882 176.882 177.873 -0.991 25786 7368 1 18 . 1 1 24 24 LEU CA C 24 58.115 58.115 57.484 0.631 25786 7369 1 18 . 1 1 24 24 LEU CB C 24 41.704 41.704 41.414 0.290 25786 7370 1 18 . 1 1 24 24 LEU H H 24 8.031 8.031 7.989 0.042 25786 7371 1 18 . 1 1 25 25 ARG N N 25 116.645 116.645 119.070 -2.425 25786 7372 1 18 . 1 1 25 25 ARG HA H 25 3.395 3.395 3.661 -0.266 25786 7373 1 18 . 1 1 25 25 ARG C C 25 177.469 177.469 178.097 -0.628 25786 7374 1 18 . 1 1 25 25 ARG CA C 25 60.246 60.246 59.828 0.418 25786 7375 1 18 . 1 1 25 25 ARG CB C 25 29.925 29.925 29.801 0.124 25786 7376 1 18 . 1 1 25 25 ARG H H 25 7.981 7.981 8.075 -0.094 25786 7377 1 18 . 1 1 26 26 GLU N N 26 115.943 115.943 119.021 -3.078 25786 7378 1 18 . 1 1 26 26 GLU HA H 26 3.832 3.832 3.824 0.008 25786 7379 1 18 . 1 1 26 26 GLU C C 26 179.682 179.682 179.065 0.617 25786 7380 1 18 . 1 1 26 26 GLU CA C 26 59.517 59.517 59.791 -0.274 25786 7381 1 18 . 1 1 26 26 GLU CB C 26 29.439 29.439 29.325 0.114 25786 7382 1 18 . 1 1 26 26 GLU H H 26 8.160 8.160 8.448 -0.288 25786 7383 1 18 . 1 1 27 27 ARG N N 27 118.766 118.766 119.089 -0.323 25786 7384 1 18 . 1 1 27 27 ARG HA H 27 4.144 4.144 4.240 -0.096 25786 7385 1 18 . 1 1 27 27 ARG C C 27 179.241 179.241 179.083 0.158 25786 7386 1 18 . 1 1 27 27 ARG CA C 27 58.855 58.855 58.852 0.003 25786 7387 1 18 . 1 1 27 27 ARG CB C 27 29.996 29.996 29.871 0.125 25786 7388 1 18 . 1 1 27 27 ARG H H 27 8.283 8.283 7.451 0.832 25786 7389 1 18 . 1 1 28 28 LEU N N 28 122.077 122.077 120.852 1.225 25786 7390 1 18 . 1 1 28 28 LEU HA H 28 4.106 4.106 4.012 0.094 25786 7391 1 18 . 1 1 28 28 LEU C C 28 178.766 178.766 178.829 -0.063 25786 7392 1 18 . 1 1 28 28 LEU CA C 28 58.558 58.558 58.066 0.492 25786 7393 1 18 . 1 1 28 28 LEU CB C 28 42.514 42.514 41.571 0.943 25786 7394 1 18 . 1 1 28 28 LEU H H 28 8.389 8.389 7.953 0.436 25786 7395 1 18 . 1 1 29 29 ILE N N 29 117.586 117.586 119.853 -2.267 25786 7396 1 18 . 1 1 29 29 ILE HA H 29 3.339 3.339 3.491 -0.152 25786 7397 1 18 . 1 1 29 29 ILE C C 29 177.927 177.927 178.091 -0.164 25786 7398 1 18 . 1 1 29 29 ILE CA C 29 66.203 66.203 65.980 0.223 25786 7399 1 18 . 1 1 29 29 ILE CB C 29 37.823 37.823 37.591 0.232 25786 7400 1 18 . 1 1 29 29 ILE H H 29 7.914 7.914 8.482 -0.568 25786 7401 1 18 . 1 1 30 30 GLN N N 30 116.395 116.395 118.151 -1.756 25786 7402 1 18 . 1 1 30 30 GLN HA H 30 4.157 4.157 3.988 0.169 25786 7403 1 18 . 1 1 30 30 GLN C C 30 179.400 179.400 179.218 0.182 25786 7404 1 18 . 1 1 30 30 GLN CA C 30 58.410 58.410 58.947 -0.537 25786 7405 1 18 . 1 1 30 30 GLN CB C 30 28.804 28.804 28.644 0.160 25786 7406 1 18 . 1 1 30 30 GLN H H 30 7.287 7.287 8.266 -0.979 25786 7407 1 18 . 1 1 31 31 GLU N N 31 120.336 120.336 120.841 -0.505 25786 7408 1 18 . 1 1 31 31 GLU HA H 31 4.023 4.023 4.142 -0.119 25786 7409 1 18 . 1 1 31 31 GLU C C 31 178.395 178.395 178.351 0.044 25786 7410 1 18 . 1 1 31 31 GLU CA C 31 59.377 59.377 58.752 0.625 25786 7411 1 18 . 1 1 31 31 GLU CB C 31 30.436 30.436 29.823 0.613 25786 7412 1 18 . 1 1 31 31 GLU H H 31 8.814 8.814 8.239 0.575 25786 7413 1 18 . 1 1 32 32 LEU N N 32 115.139 115.139 116.197 -1.058 25786 7414 1 18 . 1 1 32 32 LEU HA H 32 4.377 4.377 4.343 0.034 25786 7415 1 18 . 1 1 32 32 LEU C C 32 176.033 176.033 176.570 -0.537 25786 7416 1 18 . 1 1 32 32 LEU CA C 32 54.101 54.101 54.433 -0.332 25786 7417 1 18 . 1 1 32 32 LEU CB C 32 41.354 41.354 41.917 -0.563 25786 7418 1 18 . 1 1 32 32 LEU H H 32 8.109 8.109 8.055 0.054 25786 7419 1 18 . 1 1 33 33 ASN N N 33 116.751 116.751 115.647 1.104 25786 7420 1 18 . 1 1 33 33 ASN HA H 33 4.453 4.453 4.349 0.104 25786 7421 1 18 . 1 1 33 33 ASN C C 33 174.288 174.288 174.592 -0.304 25786 7422 1 18 . 1 1 33 33 ASN CA C 33 54.024 54.024 54.138 -0.114 25786 7423 1 18 . 1 1 33 33 ASN CB C 33 36.929 36.929 37.412 -0.483 25786 7424 1 18 . 1 1 33 33 ASN H H 33 7.796 7.796 7.632 0.164 25786 7425 1 18 . 1 1 34 34 LEU N N 34 117.139 117.139 117.218 -0.079 25786 7426 1 18 . 1 1 34 34 LEU HA H 34 4.787 4.787 4.750 0.037 25786 7427 1 18 . 1 1 34 34 LEU C C 34 176.521 176.521 175.313 1.208 25786 7428 1 18 . 1 1 34 34 LEU CA C 34 53.079 53.079 53.861 -0.782 25786 7429 1 18 . 1 1 34 34 LEU CB C 34 44.673 44.673 44.990 -0.318 25786 7430 1 18 . 1 1 34 34 LEU H H 34 7.728 7.728 8.684 -0.956 25786 7431 1 18 . 1 1 35 35 THR N N 35 110.751 110.751 108.421 2.330 25786 7432 1 18 . 1 1 35 35 THR HA H 35 4.803 4.803 4.754 0.049 25786 7433 1 18 . 1 1 35 35 THR C C 35 174.438 174.438 173.458 0.980 25786 7434 1 18 . 1 1 35 35 THR CA C 35 59.445 59.445 58.634 0.811 25786 7435 1 18 . 1 1 35 35 THR CB C 35 68.651 68.651 69.374 -0.723 25786 7436 1 18 . 1 1 35 35 THR H H 35 8.001 8.001 7.985 0.016 25786 7437 1 18 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.266 -0.189 25786 7438 1 18 . 1 1 36 36 PRO CA C 36 65.645 65.645 65.343 0.302 25786 7439 1 18 . 1 1 36 36 PRO CB C 36 31.632 31.632 31.794 -0.162 25786 7440 1 18 . 1 1 37 37 GLN N N 37 112.874 112.874 116.107 -3.233 25786 7441 1 18 . 1 1 37 37 GLN HA H 37 4.105 4.105 4.361 -0.256 25786 7442 1 18 . 1 1 37 37 GLN C C 37 176.960 176.960 176.754 0.206 25786 7443 1 18 . 1 1 37 37 GLN CA C 37 57.891 57.891 57.322 0.570 25786 7444 1 18 . 1 1 37 37 GLN CB C 37 27.902 27.902 27.771 0.131 25786 7445 1 18 . 1 1 37 37 GLN H H 37 8.005 8.005 8.718 -0.713 25786 7446 1 18 . 1 1 38 38 GLN N N 38 116.477 116.477 117.085 -0.608 25786 7447 1 18 . 1 1 38 38 GLN HA H 38 4.187 4.187 4.599 -0.412 25786 7448 1 18 . 1 1 38 38 GLN C C 38 175.508 175.508 174.904 0.604 25786 7449 1 18 . 1 1 38 38 GLN CA C 38 56.398 56.398 55.181 1.217 25786 7450 1 18 . 1 1 38 38 GLN CB C 38 31.126 31.126 30.387 0.738 25786 7451 1 18 . 1 1 38 38 GLN H H 38 7.663 7.663 7.923 -0.260 25786 7452 1 18 . 1 1 39 39 LEU N N 39 120.726 120.726 122.266 -1.540 25786 7453 1 18 . 1 1 39 39 LEU HA H 39 4.371 4.371 4.654 -0.283 25786 7454 1 18 . 1 1 39 39 LEU C C 39 174.277 174.277 174.897 -0.620 25786 7455 1 18 . 1 1 39 39 LEU CA C 39 53.959 53.959 54.770 -0.811 25786 7456 1 18 . 1 1 39 39 LEU CB C 39 41.610 41.610 43.566 -1.956 25786 7457 1 18 . 1 1 39 39 LEU H H 39 7.286 7.286 7.325 -0.039 25786 7458 1 18 . 1 1 40 40 HIS N N 40 124.680 124.680 122.211 2.469 25786 7459 1 18 . 1 1 40 40 HIS HA H 40 4.808 4.808 4.891 -0.083 25786 7460 1 18 . 1 1 40 40 HIS C C 40 176.727 176.727 176.238 0.489 25786 7461 1 18 . 1 1 40 40 HIS CA C 40 54.762 54.762 54.859 -0.097 25786 7462 1 18 . 1 1 40 40 HIS CB C 40 31.521 31.521 30.994 0.527 25786 7463 1 18 . 1 1 40 40 HIS H H 40 8.158 8.158 8.248 -0.090 25786 7464 1 18 . 1 1 41 41 GLU HA H 41 4.029 4.029 4.006 0.023 25786 7465 1 18 . 1 1 42 42 GLU N N 42 113.813 113.813 117.069 -3.256 25786 7466 1 18 . 1 1 42 42 GLU HA H 42 4.547 4.547 4.278 0.269 25786 7467 1 18 . 1 1 42 42 GLU C C 42 176.680 176.680 176.368 0.312 25786 7468 1 18 . 1 1 42 42 GLU CA C 42 55.313 55.313 54.993 0.320 25786 7469 1 18 . 1 1 42 42 GLU CB C 42 29.165 29.165 28.344 0.821 25786 7470 1 18 . 1 1 42 42 GLU H H 42 8.808 8.808 8.381 0.427 25786 7471 1 18 . 1 1 43 43 SER N N 43 118.066 118.066 118.480 -0.414 25786 7472 1 18 . 1 1 43 43 SER HA H 43 4.088 4.088 3.940 0.148 25786 7473 1 18 . 1 1 43 43 SER C C 43 173.663 173.663 174.081 -0.418 25786 7474 1 18 . 1 1 43 43 SER CA C 43 60.156 60.156 59.132 1.024 25786 7475 1 18 . 1 1 43 43 SER CB C 43 62.827 62.827 62.840 -0.013 25786 7476 1 18 . 1 1 43 43 SER H H 43 7.485 7.485 7.482 0.003 25786 7477 1 18 . 1 1 44 44 ASN N N 44 123.218 123.218 123.897 -0.679 25786 7478 1 18 . 1 1 44 44 ASN HA H 44 4.392 4.392 4.884 -0.492 25786 7479 1 18 . 1 1 44 44 ASN C C 44 176.926 176.926 176.682 0.244 25786 7480 1 18 . 1 1 44 44 ASN CA C 44 53.987 53.987 53.097 0.890 25786 7481 1 18 . 1 1 44 44 ASN CB C 44 38.433 38.433 38.915 -0.482 25786 7482 1 18 . 1 1 44 44 ASN H H 44 8.811 8.811 8.615 0.196 25786 7483 1 18 . 1 1 45 45 LEU N N 45 128.735 128.735 125.742 2.993 25786 7484 1 18 . 1 1 45 45 LEU HA H 45 3.722 3.722 3.973 -0.251 25786 7485 1 18 . 1 1 45 45 LEU C C 45 178.143 178.143 178.429 -0.286 25786 7486 1 18 . 1 1 45 45 LEU CA C 45 57.149 57.149 57.683 -0.534 25786 7487 1 18 . 1 1 45 45 LEU CB C 45 42.250 42.250 41.937 0.313 25786 7488 1 18 . 1 1 45 45 LEU H H 45 9.385 9.385 8.690 0.695 25786 7489 1 18 . 1 1 46 46 ILE N N 46 119.379 119.379 118.170 1.209 25786 7490 1 18 . 1 1 46 46 ILE HA H 46 4.187 4.187 4.244 -0.057 25786 7491 1 18 . 1 1 46 46 ILE C C 46 180.926 180.926 178.055 2.871 25786 7492 1 18 . 1 1 46 46 ILE CA C 46 63.814 63.814 63.964 -0.150 25786 7493 1 18 . 1 1 46 46 ILE CB C 46 36.709 36.709 38.004 -1.295 25786 7494 1 18 . 1 1 46 46 ILE H H 46 7.659 7.659 8.042 -0.383 25786 7495 1 18 . 1 1 47 47 GLN N N 47 121.737 121.737 117.081 4.656 25786 7496 1 18 . 1 1 47 47 GLN HA H 47 3.989 3.989 4.290 -0.301 25786 7497 1 18 . 1 1 47 47 GLN C C 47 177.739 177.739 175.832 1.907 25786 7498 1 18 . 1 1 47 47 GLN CA C 47 58.033 58.033 57.608 0.425 25786 7499 1 18 . 1 1 47 47 GLN CB C 47 27.985 27.985 28.814 -0.828 25786 7500 1 18 . 1 1 47 47 GLN H H 47 8.161 8.161 8.316 -0.155 25786 7501 1 18 . 1 1 48 48 ALA N N 48 117.777 117.777 121.425 -3.648 25786 7502 1 18 . 1 1 48 48 ALA HA H 48 4.260 4.260 4.532 -0.272 25786 7503 1 18 . 1 1 48 48 ALA C C 48 176.582 176.582 177.738 -1.156 25786 7504 1 18 . 1 1 48 48 ALA CA C 48 52.710 52.710 52.438 0.272 25786 7505 1 18 . 1 1 48 48 ALA CB C 48 18.601 18.601 20.107 -1.506 25786 7506 1 18 . 1 1 48 48 ALA H H 48 7.448 7.448 7.198 0.250 25786 7507 1 18 . 1 1 49 49 GLY N N 49 102.932 102.932 105.834 -2.902 25786 7508 1 18 . 1 1 49 49 GLY C C 49 174.451 174.451 171.866 2.585 25786 7509 1 18 . 1 1 49 49 GLY CA C 49 44.967 44.967 45.544 -0.577 25786 7510 1 18 . 1 1 49 49 GLY H H 49 7.445 7.445 8.325 -0.880 25786 7511 1 18 . 1 1 50 50 LEU N N 50 123.058 123.058 120.837 2.221 25786 7512 1 18 . 1 1 50 50 LEU HA H 50 4.257 4.257 4.880 -0.623 25786 7513 1 18 . 1 1 50 50 LEU C C 50 173.460 173.460 174.290 -0.830 25786 7514 1 18 . 1 1 50 50 LEU CA C 50 55.909 55.909 53.975 1.934 25786 7515 1 18 . 1 1 50 50 LEU CB C 50 41.454 41.454 45.838 -4.384 25786 7516 1 18 . 1 1 50 50 LEU H H 50 8.545 8.545 7.545 1.000 25786 7517 1 18 . 1 1 54 54 ARG N N 54 121.407 121.407 121.983 -0.576 25786 7518 1 18 . 1 1 54 54 ARG HA H 54 4.088 4.088 3.986 0.102 25786 7519 1 18 . 1 1 54 54 ARG C C 54 179.647 179.647 178.591 1.056 25786 7520 1 18 . 1 1 54 54 ARG CA C 54 59.615 59.615 59.292 0.323 25786 7521 1 18 . 1 1 54 54 ARG CB C 54 30.633 30.633 30.709 -0.076 25786 7522 1 18 . 1 1 54 54 ARG H H 54 8.412 8.412 8.675 -0.263 25786 7523 1 18 . 1 1 55 55 LEU N N 55 121.118 121.118 121.777 -0.659 25786 7524 1 18 . 1 1 55 55 LEU HA H 55 4.332 4.332 4.613 -0.281 25786 7525 1 18 . 1 1 55 55 LEU C C 55 178.416 178.416 177.860 0.556 25786 7526 1 18 . 1 1 55 55 LEU CA C 55 59.035 59.035 58.205 0.830 25786 7527 1 18 . 1 1 55 55 LEU CB C 55 41.718 41.718 42.369 -0.651 25786 7528 1 18 . 1 1 55 55 LEU H H 55 9.050 9.050 8.526 0.524 25786 7529 1 18 . 1 1 56 56 MET N N 56 117.969 117.969 118.502 -0.533 25786 7530 1 18 . 1 1 56 56 MET HA H 56 4.284 4.284 4.092 0.192 25786 7531 1 18 . 1 1 56 56 MET C C 56 178.301 178.301 178.816 -0.515 25786 7532 1 18 . 1 1 56 56 MET CA C 56 57.927 57.927 58.825 -0.898 25786 7533 1 18 . 1 1 56 56 MET CB C 56 31.317 31.317 32.174 -0.857 25786 7534 1 18 . 1 1 56 56 MET H H 56 7.875 7.875 8.063 -0.188 25786 7535 1 18 . 1 1 57 57 ARG N N 57 119.532 119.532 118.376 1.156 25786 7536 1 18 . 1 1 57 57 ARG HA H 57 4.096 4.096 4.125 -0.029 25786 7537 1 18 . 1 1 57 57 ARG C C 57 180.458 180.458 178.510 1.948 25786 7538 1 18 . 1 1 57 57 ARG CA C 57 59.770 59.770 59.460 0.310 25786 7539 1 18 . 1 1 57 57 ARG CB C 57 29.520 29.520 29.548 -0.028 25786 7540 1 18 . 1 1 57 57 ARG H H 57 7.609 7.609 8.168 -0.559 25786 7541 1 18 . 1 1 58 58 TRP N N 58 121.820 121.820 119.571 2.249 25786 7542 1 18 . 1 1 58 58 TRP HA H 58 4.465 4.465 4.418 0.047 25786 7543 1 18 . 1 1 58 58 TRP C C 58 177.973 177.973 178.435 -0.462 25786 7544 1 18 . 1 1 58 58 TRP CA C 58 61.063 61.063 58.974 2.089 25786 7545 1 18 . 1 1 58 58 TRP CB C 58 28.348 28.348 29.275 -0.927 25786 7546 1 18 . 1 1 58 58 TRP H H 58 8.207 8.207 7.971 0.236 25786 7547 1 18 . 1 1 59 59 LEU N N 59 121.654 121.654 120.593 1.061 25786 7548 1 18 . 1 1 59 59 LEU HA H 59 4.274 4.274 4.244 0.030 25786 7549 1 18 . 1 1 59 59 LEU C C 59 178.823 178.823 178.141 0.682 25786 7550 1 18 . 1 1 59 59 LEU CA C 59 59.044 59.044 57.584 1.460 25786 7551 1 18 . 1 1 59 59 LEU CB C 59 40.851 40.851 41.441 -0.590 25786 7552 1 18 . 1 1 59 59 LEU H H 59 8.599 8.599 7.656 0.943 25786 7553 1 18 . 1 1 60 60 HIS N N 60 116.952 116.952 116.864 0.088 25786 7554 1 18 . 1 1 60 60 HIS HA H 60 4.389 4.389 4.362 0.027 25786 7555 1 18 . 1 1 60 60 HIS C C 60 177.635 177.635 176.863 0.772 25786 7556 1 18 . 1 1 60 60 HIS CA C 60 59.755 59.755 60.051 -0.296 25786 7557 1 18 . 1 1 60 60 HIS CB C 60 30.083 30.083 29.664 0.419 25786 7558 1 18 . 1 1 60 60 HIS H H 60 7.909 7.909 7.848 0.061 25786 7559 1 18 . 1 1 61 61 TRP N N 61 123.194 123.194 121.268 1.926 25786 7560 1 18 . 1 1 61 61 TRP HA H 61 4.032 4.032 4.462 -0.430 25786 7561 1 18 . 1 1 61 61 TRP C C 61 179.298 179.298 176.888 2.410 25786 7562 1 18 . 1 1 61 61 TRP CA C 61 62.541 62.541 60.287 2.254 25786 7563 1 18 . 1 1 61 61 TRP CB C 61 28.839 28.839 29.975 -1.136 25786 7564 1 18 . 1 1 61 61 TRP H H 61 8.142 8.142 7.606 0.536 25786 7565 1 18 . 1 1 62 62 PHE N N 62 120.038 120.038 118.879 1.159 25786 7566 1 18 . 1 1 62 62 PHE HA H 62 4.205 4.205 3.821 0.384 25786 7567 1 18 . 1 1 62 62 PHE C C 62 179.080 179.080 178.464 0.616 25786 7568 1 18 . 1 1 62 62 PHE CA C 62 63.629 63.629 62.352 1.277 25786 7569 1 18 . 1 1 62 62 PHE CB C 62 38.664 38.664 38.342 0.322 25786 7570 1 18 . 1 1 62 62 PHE H H 62 9.447 9.447 8.723 0.724 25786 7571 1 18 . 1 1 63 63 ARG N N 63 118.560 118.560 119.825 -1.265 25786 7572 1 18 . 1 1 63 63 ARG HA H 63 4.258 4.258 4.265 -0.007 25786 7573 1 18 . 1 1 63 63 ARG C C 63 181.328 181.328 179.083 2.245 25786 7574 1 18 . 1 1 63 63 ARG CA C 63 59.257 59.257 59.517 -0.260 25786 7575 1 18 . 1 1 63 63 ARG CB C 63 29.697 29.697 30.291 -0.594 25786 7576 1 18 . 1 1 63 63 ARG H H 63 8.665 8.665 8.625 0.040 25786 7577 1 18 . 1 1 64 64 LYS N N 64 122.759 122.759 117.200 5.559 25786 7578 1 18 . 1 1 64 64 LYS HA H 64 4.019 4.019 4.206 -0.187 25786 7579 1 18 . 1 1 64 64 LYS C C 64 177.595 177.595 176.668 0.927 25786 7580 1 18 . 1 1 64 64 LYS CA C 64 58.651 58.651 58.039 0.612 25786 7581 1 18 . 1 1 64 64 LYS CB C 64 31.510 31.510 32.151 -0.641 25786 7582 1 18 . 1 1 64 64 LYS H H 64 8.690 8.690 7.778 0.912 25786 7583 1 18 . 1 1 65 65 ASN N N 65 115.681 115.681 116.070 -0.389 25786 7584 1 18 . 1 1 65 65 ASN HA H 65 4.532 4.532 4.771 -0.239 25786 7585 1 18 . 1 1 65 65 ASN C C 65 173.405 173.405 174.337 -0.932 25786 7586 1 18 . 1 1 65 65 ASN CA C 65 53.685 53.685 51.949 1.736 25786 7587 1 18 . 1 1 65 65 ASN CB C 65 39.038 39.038 38.718 0.320 25786 7588 1 18 . 1 1 65 65 ASN H H 65 7.246 7.246 7.641 -0.395 25786 7589 1 18 . 1 1 66 66 GLY N N 66 105.186 105.186 105.145 0.041 25786 7590 1 18 . 1 1 66 66 GLY C C 66 173.869 173.869 173.899 -0.030 25786 7591 1 18 . 1 1 66 66 GLY CA C 66 45.539 45.539 45.008 0.531 25786 7592 1 18 . 1 1 66 66 GLY H H 66 7.603 7.603 7.430 0.173 25786 7593 1 18 . 1 1 67 67 TYR N N 67 119.699 119.699 120.587 -0.888 25786 7594 1 18 . 1 1 67 67 TYR HA H 67 4.542 4.542 4.398 0.144 25786 7595 1 18 . 1 1 67 67 TYR C C 67 175.838 175.838 175.353 0.485 25786 7596 1 18 . 1 1 67 67 TYR CA C 67 57.858 57.858 57.342 0.516 25786 7597 1 18 . 1 1 67 67 TYR CB C 67 38.564 38.564 38.740 -0.177 25786 7598 1 18 . 1 1 67 67 TYR H H 67 8.248 8.248 8.232 0.016 25786 7599 1 18 . 1 1 68 68 ARG N N 68 125.588 125.588 125.793 -0.205 25786 7600 1 18 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.480 -0.091 25786 7601 1 18 . 1 1 68 68 ARG C C 68 174.479 174.479 174.784 -0.305 25786 7602 1 18 . 1 1 68 68 ARG CA C 68 55.649 55.649 55.965 -0.316 25786 7603 1 18 . 1 1 68 68 ARG CB C 68 28.357 28.357 29.012 -0.655 25786 7604 1 18 . 1 1 68 68 ARG H H 68 8.550 8.550 8.908 -0.358 25786 7605 1 18 . 1 1 69 69 LEU N N 69 122.034 122.034 123.310 -1.276 25786 7606 1 18 . 1 1 69 69 LEU HA H 69 4.711 4.711 4.621 0.090 25786 7607 1 18 . 1 1 69 69 LEU C C 69 175.630 175.630 175.927 -0.297 25786 7608 1 18 . 1 1 69 69 LEU CA C 69 53.367 53.367 53.245 0.123 25786 7609 1 18 . 1 1 69 69 LEU CB C 69 44.286 44.286 45.210 -0.924 25786 7610 1 18 . 1 1 69 69 LEU H H 69 7.421 7.421 7.655 -0.234 25786 7611 1 18 . 1 1 70 70 THR N N 70 109.789 109.789 112.190 -2.401 25786 7612 1 18 . 1 1 70 70 THR HA H 70 4.721 4.721 4.536 0.185 25786 7613 1 18 . 1 1 70 70 THR C C 70 174.636 174.636 174.855 -0.219 25786 7614 1 18 . 1 1 70 70 THR CA C 70 59.377 59.377 60.185 -0.808 25786 7615 1 18 . 1 1 70 70 THR CB C 70 72.180 72.180 70.511 1.669 25786 7616 1 18 . 1 1 70 70 THR H H 70 8.163 8.163 7.940 0.223 25786 7617 1 18 . 1 1 71 71 LEU N N 71 122.563 122.563 126.001 -3.438 25786 7618 1 18 . 1 1 71 71 LEU HA H 71 3.885 3.885 3.933 -0.048 25786 7619 1 18 . 1 1 71 71 LEU C C 71 178.632 178.632 178.352 0.280 25786 7620 1 18 . 1 1 71 71 LEU CA C 71 58.196 58.196 57.869 0.327 25786 7621 1 18 . 1 1 71 71 LEU CB C 71 41.940 41.940 42.113 -0.173 25786 7622 1 18 . 1 1 71 71 LEU H H 71 8.825 8.825 8.825 0.000 25786 7623 1 18 . 1 1 72 72 ARG N N 72 115.949 115.949 119.137 -3.188 25786 7624 1 18 . 1 1 72 72 ARG HA H 72 3.876 3.876 4.149 -0.273 25786 7625 1 18 . 1 1 72 72 ARG C C 72 178.893 178.893 178.273 0.620 25786 7626 1 18 . 1 1 72 72 ARG CA C 72 59.147 59.147 59.867 -0.720 25786 7627 1 18 . 1 1 72 72 ARG CB C 72 29.631 29.631 29.700 -0.069 25786 7628 1 18 . 1 1 72 72 ARG H H 72 8.244 8.244 8.461 -0.217 25786 7629 1 18 . 1 1 73 73 GLU N N 73 117.665 117.665 117.820 -0.155 25786 7630 1 18 . 1 1 73 73 GLU HA H 73 3.951 3.951 4.160 -0.209 25786 7631 1 18 . 1 1 73 73 GLU C C 73 178.762 178.762 178.849 -0.087 25786 7632 1 18 . 1 1 73 73 GLU CA C 73 59.092 59.092 59.457 -0.365 25786 7633 1 18 . 1 1 73 73 GLU CB C 73 29.739 29.739 28.767 0.972 25786 7634 1 18 . 1 1 73 73 GLU H H 73 7.461 7.461 8.565 -1.103 25786 7635 1 18 . 1 1 74 74 LEU N N 74 117.724 117.724 119.961 -2.237 25786 7636 1 18 . 1 1 74 74 LEU HA H 74 3.898 3.898 4.309 -0.411 25786 7637 1 18 . 1 1 74 74 LEU C C 74 179.355 179.355 179.754 -0.399 25786 7638 1 18 . 1 1 74 74 LEU CA C 74 57.469 57.469 57.413 0.056 25786 7639 1 18 . 1 1 74 74 LEU CB C 74 41.619 41.619 41.690 -0.071 25786 7640 1 18 . 1 1 74 74 LEU H H 74 7.413 7.413 7.305 0.108 25786 7641 1 18 . 1 1 75 75 TYR N N 75 114.976 114.976 118.060 -3.084 25786 7642 1 18 . 1 1 75 75 TYR HA H 75 4.054 4.054 4.483 -0.429 25786 7643 1 18 . 1 1 75 75 TYR C C 75 176.656 176.656 177.819 -1.163 25786 7644 1 18 . 1 1 75 75 TYR CA C 75 60.638 60.638 60.181 0.457 25786 7645 1 18 . 1 1 75 75 TYR CB C 75 39.688 39.688 37.928 1.760 25786 7646 1 18 . 1 1 75 75 TYR H H 75 8.086 8.086 7.920 0.166 25786 7647 1 18 . 1 1 76 76 ALA N N 76 119.116 119.116 120.883 -1.767 25786 7648 1 18 . 1 1 76 76 ALA HA H 76 4.052 4.052 4.318 -0.266 25786 7649 1 18 . 1 1 76 76 ALA C C 76 178.156 178.156 177.287 0.869 25786 7650 1 18 . 1 1 76 76 ALA CA C 76 54.468 54.468 53.383 1.085 25786 7651 1 18 . 1 1 76 76 ALA CB C 76 18.535 18.535 19.511 -0.976 25786 7652 1 18 . 1 1 76 76 ALA H H 76 7.776 7.776 7.833 -0.057 25786 7653 1 18 . 1 1 77 77 ALA N N 77 116.862 116.862 120.537 -3.675 25786 7654 1 18 . 1 1 77 77 ALA C C 77 173.737 173.737 174.584 -0.847 25786 7655 1 18 . 1 1 77 77 ALA CA C 77 49.713 49.713 49.650 0.063 25786 7656 1 18 . 1 1 77 77 ALA CB C 77 19.226 19.226 19.555 -0.329 25786 7657 1 18 . 1 1 77 77 ALA H H 77 6.706 6.706 7.866 -1.160 25786 7658 1 18 . 1 1 78 78 PRO HA H 78 5.018 5.018 4.830 0.188 25786 7659 1 18 . 1 1 78 78 PRO CA C 78 61.523 61.523 62.457 -0.934 25786 7660 1 18 . 1 1 78 78 PRO CB C 78 28.845 28.845 30.388 -1.543 25786 7661 1 18 . 1 1 79 79 THR N N 79 111.947 111.947 112.477 -0.530 25786 7662 1 18 . 1 1 79 79 THR HA H 79 4.396 4.396 4.804 -0.408 25786 7663 1 18 . 1 1 79 79 THR C C 79 173.000 173.000 174.644 -1.644 25786 7664 1 18 . 1 1 79 79 THR CA C 79 58.059 58.059 59.867 -1.808 25786 7665 1 18 . 1 1 79 79 THR CB C 79 72.247 72.247 72.479 -0.232 25786 7666 1 18 . 1 1 79 79 THR H H 79 7.664 7.664 7.212 0.452 25786 7667 1 18 . 1 1 80 80 LEU N N 80 123.227 123.227 123.645 -0.418 25786 7668 1 18 . 1 1 80 80 LEU HA H 80 3.747 3.747 4.161 -0.414 25786 7669 1 18 . 1 1 80 80 LEU C C 80 179.028 179.028 178.057 0.971 25786 7670 1 18 . 1 1 80 80 LEU CA C 80 58.209 58.209 57.621 0.588 25786 7671 1 18 . 1 1 80 80 LEU CB C 80 41.579 41.579 41.597 -0.018 25786 7672 1 18 . 1 1 80 80 LEU H H 80 9.609 9.609 8.530 1.079 25786 7673 1 18 . 1 1 81 81 ALA N N 81 119.663 119.663 122.673 -3.010 25786 7674 1 18 . 1 1 81 81 ALA HA H 81 4.141 4.141 3.901 0.240 25786 7675 1 18 . 1 1 81 81 ALA C C 81 181.038 181.038 178.943 2.095 25786 7676 1 18 . 1 1 81 81 ALA CA C 81 54.876 54.876 55.168 -0.292 25786 7677 1 18 . 1 1 81 81 ALA CB C 81 18.428 18.428 17.877 0.551 25786 7678 1 18 . 1 1 81 81 ALA H H 81 8.831 8.831 8.301 0.530 25786 7679 1 18 . 1 1 82 82 ALA N N 82 122.181 122.181 121.101 1.080 25786 7680 1 18 . 1 1 82 82 ALA HA H 82 4.225 4.225 4.172 0.053 25786 7681 1 18 . 1 1 82 82 ALA C C 82 181.868 181.868 179.735 2.133 25786 7682 1 18 . 1 1 82 82 ALA CA C 82 54.808 54.808 54.780 0.028 25786 7683 1 18 . 1 1 82 82 ALA CB C 82 19.088 19.088 18.407 0.681 25786 7684 1 18 . 1 1 82 82 ALA H H 82 8.272 8.272 7.631 0.641 25786 7685 1 18 . 1 1 83 83 TRP N N 83 123.399 123.399 119.396 4.003 25786 7686 1 18 . 1 1 83 83 TRP HA H 83 4.543 4.543 4.242 0.301 25786 7687 1 18 . 1 1 83 83 TRP C C 83 178.633 178.633 178.509 0.124 25786 7688 1 18 . 1 1 83 83 TRP CA C 83 59.562 59.562 58.927 0.635 25786 7689 1 18 . 1 1 83 83 TRP CB C 83 28.301 28.301 28.418 -0.117 25786 7690 1 18 . 1 1 83 83 TRP H H 83 9.378 9.378 8.362 1.016 25786 7691 1 18 . 1 1 84 84 ASN N N 84 118.250 118.250 117.485 0.765 25786 7692 1 18 . 1 1 84 84 ASN HA H 84 4.616 4.616 4.273 0.343 25786 7693 1 18 . 1 1 84 84 ASN C C 84 177.231 177.231 177.668 -0.437 25786 7694 1 18 . 1 1 84 84 ASN CA C 84 57.096 57.096 56.031 1.065 25786 7695 1 18 . 1 1 84 84 ASN CB C 84 39.229 39.229 37.638 1.591 25786 7696 1 18 . 1 1 84 84 ASN H H 84 9.136 9.136 8.393 0.743 25786 7697 1 18 . 1 1 85 85 GLN N N 85 116.261 116.261 120.043 -3.782 25786 7698 1 18 . 1 1 85 85 GLN HA H 85 4.011 4.011 4.059 -0.048 25786 7699 1 18 . 1 1 85 85 GLN C C 85 179.455 179.455 178.452 1.003 25786 7700 1 18 . 1 1 85 85 GLN CA C 85 58.748 58.748 58.492 0.256 25786 7701 1 18 . 1 1 85 85 GLN CB C 85 27.840 27.840 28.381 -0.541 25786 7702 1 18 . 1 1 85 85 GLN H H 85 7.511 7.511 7.703 -0.192 25786 7703 1 18 . 1 1 86 86 LEU N N 86 121.554 121.554 118.597 2.957 25786 7704 1 18 . 1 1 86 86 LEU HA H 86 4.041 4.041 3.937 0.104 25786 7705 1 18 . 1 1 86 86 LEU C C 86 179.171 179.171 178.303 0.868 25786 7706 1 18 . 1 1 86 86 LEU CA C 86 57.804 57.804 57.515 0.289 25786 7707 1 18 . 1 1 86 86 LEU CB C 86 41.915 41.915 41.582 0.333 25786 7708 1 18 . 1 1 86 86 LEU H H 86 8.172 8.172 8.333 -0.161 25786 7709 1 18 . 1 1 87 87 MET N N 87 117.874 117.874 115.701 2.173 25786 7710 1 18 . 1 1 87 87 MET HA H 87 3.752 3.752 4.267 -0.515 25786 7711 1 18 . 1 1 87 87 MET C C 87 178.221 178.221 178.849 -0.628 25786 7712 1 18 . 1 1 87 87 MET CA C 87 59.481 59.481 58.533 0.948 25786 7713 1 18 . 1 1 87 87 MET CB C 87 34.875 34.875 33.239 1.636 25786 7714 1 18 . 1 1 87 87 MET H H 87 8.197 8.197 7.548 0.649 25786 7715 1 18 . 1 1 88 88 LEU N N 88 117.598 117.598 122.380 -4.782 25786 7716 1 18 . 1 1 88 88 LEU HA H 88 4.054 4.054 4.368 -0.314 25786 7717 1 18 . 1 1 88 88 LEU C C 88 179.237 179.237 178.733 0.504 25786 7718 1 18 . 1 1 88 88 LEU CA C 88 57.076 57.076 57.412 -0.336 25786 7719 1 18 . 1 1 88 88 LEU CB C 88 42.395 42.395 41.792 0.603 25786 7720 1 18 . 1 1 88 88 LEU H H 88 7.902 7.902 8.087 -0.185 25786 7721 1 18 . 1 1 89 89 SER N N 89 113.195 113.195 113.711 -0.516 25786 7722 1 18 . 1 1 89 89 SER HA H 89 4.038 4.038 4.336 -0.298 25786 7723 1 18 . 1 1 89 89 SER C C 89 175.090 175.090 174.864 0.226 25786 7724 1 18 . 1 1 89 89 SER CA C 89 59.901 59.901 60.495 -0.594 25786 7725 1 18 . 1 1 89 89 SER CB C 89 63.834 63.834 63.031 0.803 25786 7726 1 18 . 1 1 89 89 SER H H 89 7.958 7.958 8.138 -0.180 25786 7727 1 18 . 1 1 90 90 ARG N N 90 122.031 122.031 119.203 2.828 25786 7728 1 18 . 1 1 90 90 ARG HA H 90 4.701 4.701 4.576 0.125 25786 7729 1 18 . 1 1 90 90 ARG C C 90 175.695 175.695 174.955 0.740 25786 7730 1 18 . 1 1 90 90 ARG CA C 90 53.905 53.905 54.533 -0.628 25786 7731 1 18 . 1 1 90 90 ARG CB C 90 29.631 29.631 30.801 -1.170 25786 7732 1 18 . 1 1 90 90 ARG H H 90 7.923 7.923 7.579 0.344 25786 7733 1 18 . 1 1 91 91 SER N N 91 117.191 117.191 116.157 1.034 25786 7734 1 18 . 1 1 91 91 SER C C 91 172.914 172.914 172.665 0.249 25786 7735 1 18 . 1 1 91 91 SER CA C 91 57.104 57.104 55.994 1.110 25786 7736 1 18 . 1 1 91 91 SER CB C 91 63.437 63.437 63.894 -0.457 25786 7737 1 18 . 1 1 91 91 SER H H 91 7.752 7.752 7.850 -0.098 25786 7738 1 18 . 1 1 92 92 PRO HA H 92 4.420 4.420 4.624 -0.204 25786 7739 1 18 . 1 1 92 92 PRO CA C 92 63.414 63.414 62.386 1.028 25786 7740 1 18 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.256 -0.361 25786 7741 1 19 . 1 1 15 15 ASN N N 15 119.857 119.857 119.986 -0.129 25786 7742 1 19 . 1 1 15 15 ASN HA H 15 4.719 4.719 4.687 0.032 25786 7743 1 19 . 1 1 15 15 ASN C C 15 175.735 175.735 175.340 0.395 25786 7744 1 19 . 1 1 15 15 ASN CA C 15 53.556 53.556 53.302 0.254 25786 7745 1 19 . 1 1 15 15 ASN CB C 15 38.731 38.731 38.633 0.098 25786 7746 1 19 . 1 1 15 15 ASN H H 15 8.425 8.425 8.602 -0.177 25786 7747 1 19 . 1 1 16 16 ARG N N 16 122.030 122.030 119.026 3.004 25786 7748 1 19 . 1 1 16 16 ARG HA H 16 4.211 4.211 4.434 -0.223 25786 7749 1 19 . 1 1 16 16 ARG C C 16 176.669 176.669 177.636 -0.967 25786 7750 1 19 . 1 1 16 16 ARG CA C 16 57.735 57.735 55.401 2.334 25786 7751 1 19 . 1 1 16 16 ARG CB C 16 30.224 30.224 32.240 -2.016 25786 7752 1 19 . 1 1 16 16 ARG H H 16 8.347 8.347 7.569 0.778 25786 7753 1 19 . 1 1 17 17 HIS N N 17 118.590 118.590 120.475 -1.885 25786 7754 1 19 . 1 1 17 17 HIS HA H 17 4.563 4.563 4.472 0.091 25786 7755 1 19 . 1 1 17 17 HIS C C 17 176.284 176.284 177.227 -0.943 25786 7756 1 19 . 1 1 17 17 HIS CA C 17 58.394 58.394 59.544 -1.150 25786 7757 1 19 . 1 1 17 17 HIS CB C 17 30.362 30.362 29.734 0.628 25786 7758 1 19 . 1 1 17 17 HIS H H 17 8.395 8.395 8.943 -0.548 25786 7759 1 19 . 1 1 18 18 ALA N N 18 122.047 122.047 122.327 -0.280 25786 7760 1 19 . 1 1 18 18 ALA HA H 18 4.182 4.182 4.237 -0.055 25786 7761 1 19 . 1 1 18 18 ALA C C 18 180.003 180.003 178.764 1.239 25786 7762 1 19 . 1 1 18 18 ALA CA C 18 54.294 54.294 54.269 0.025 25786 7763 1 19 . 1 1 18 18 ALA CB C 18 18.849 18.849 17.716 1.133 25786 7764 1 19 . 1 1 18 18 ALA H H 18 8.436 8.436 8.711 -0.275 25786 7765 1 19 . 1 1 19 19 ALA N N 19 122.607 122.607 121.866 0.741 25786 7766 1 19 . 1 1 19 19 ALA HA H 19 4.275 4.275 4.094 0.181 25786 7767 1 19 . 1 1 19 19 ALA C C 19 180.295 180.295 179.397 0.898 25786 7768 1 19 . 1 1 19 19 ALA CA C 19 55.040 55.040 54.617 0.423 25786 7769 1 19 . 1 1 19 19 ALA CB C 19 18.267 18.267 18.428 -0.161 25786 7770 1 19 . 1 1 19 19 ALA H H 19 8.402 8.402 8.335 0.067 25786 7771 1 19 . 1 1 20 20 ASP N N 20 118.796 118.796 119.544 -0.748 25786 7772 1 19 . 1 1 20 20 ASP HA H 20 4.837 4.837 4.504 0.333 25786 7773 1 19 . 1 1 20 20 ASP C C 20 177.313 177.313 177.879 -0.566 25786 7774 1 19 . 1 1 20 20 ASP CA C 20 56.725 56.725 58.288 -1.563 25786 7775 1 19 . 1 1 20 20 ASP CB C 20 40.189 40.189 40.711 -0.522 25786 7776 1 19 . 1 1 20 20 ASP H H 20 8.317 8.317 8.205 0.112 25786 7777 1 19 . 1 1 21 21 TYR N N 21 120.958 120.958 120.573 0.385 25786 7778 1 19 . 1 1 21 21 TYR HA H 21 4.058 4.058 4.186 -0.128 25786 7779 1 19 . 1 1 21 21 TYR C C 21 176.282 176.282 177.312 -1.030 25786 7780 1 19 . 1 1 21 21 TYR CA C 21 61.892 61.892 61.781 0.112 25786 7781 1 19 . 1 1 21 21 TYR CB C 21 38.655 38.655 38.597 0.058 25786 7782 1 19 . 1 1 21 21 TYR H H 21 8.679 8.679 7.879 0.800 25786 7783 1 19 . 1 1 22 22 GLN N N 22 117.715 117.715 118.504 -0.789 25786 7784 1 19 . 1 1 22 22 GLN HA H 22 3.826 3.826 3.978 -0.152 25786 7785 1 19 . 1 1 22 22 GLN C C 22 178.197 178.197 178.266 -0.069 25786 7786 1 19 . 1 1 22 22 GLN CA C 22 59.110 59.110 59.329 -0.219 25786 7787 1 19 . 1 1 22 22 GLN CB C 22 27.430 27.430 28.031 -0.601 25786 7788 1 19 . 1 1 22 22 GLN H H 22 8.236 8.236 8.074 0.162 25786 7789 1 19 . 1 1 23 23 GLN N N 23 118.526 118.526 119.251 -0.725 25786 7790 1 19 . 1 1 23 23 GLN HA H 23 4.100 4.100 4.311 -0.211 25786 7791 1 19 . 1 1 23 23 GLN C C 23 177.521 177.521 178.853 -1.332 25786 7792 1 19 . 1 1 23 23 GLN CA C 23 58.915 58.915 58.736 0.179 25786 7793 1 19 . 1 1 23 23 GLN CB C 23 29.032 29.032 28.409 0.623 25786 7794 1 19 . 1 1 23 23 GLN H H 23 8.003 8.003 8.016 -0.013 25786 7795 1 19 . 1 1 24 24 LEU N N 24 121.914 121.914 122.495 -0.581 25786 7796 1 19 . 1 1 24 24 LEU HA H 24 3.444 3.444 3.258 0.186 25786 7797 1 19 . 1 1 24 24 LEU C C 24 176.882 176.882 177.713 -0.831 25786 7798 1 19 . 1 1 24 24 LEU CA C 24 58.115 58.115 57.909 0.206 25786 7799 1 19 . 1 1 24 24 LEU CB C 24 41.704 41.704 41.242 0.462 25786 7800 1 19 . 1 1 24 24 LEU H H 24 8.031 8.031 8.699 -0.668 25786 7801 1 19 . 1 1 25 25 ARG N N 25 116.645 116.645 119.003 -2.358 25786 7802 1 19 . 1 1 25 25 ARG HA H 25 3.395 3.395 3.634 -0.239 25786 7803 1 19 . 1 1 25 25 ARG C C 25 177.469 177.469 178.250 -0.781 25786 7804 1 19 . 1 1 25 25 ARG CA C 25 60.246 60.246 59.923 0.323 25786 7805 1 19 . 1 1 25 25 ARG CB C 25 29.925 29.925 29.940 -0.015 25786 7806 1 19 . 1 1 25 25 ARG H H 25 7.981 7.981 8.154 -0.173 25786 7807 1 19 . 1 1 26 26 GLU N N 26 115.943 115.943 118.788 -2.845 25786 7808 1 19 . 1 1 26 26 GLU HA H 26 3.832 3.832 3.932 -0.100 25786 7809 1 19 . 1 1 26 26 GLU C C 26 179.682 179.682 179.371 0.311 25786 7810 1 19 . 1 1 26 26 GLU CA C 26 59.517 59.517 59.425 0.092 25786 7811 1 19 . 1 1 26 26 GLU CB C 26 29.439 29.439 29.362 0.077 25786 7812 1 19 . 1 1 26 26 GLU H H 26 8.160 8.160 8.413 -0.253 25786 7813 1 19 . 1 1 27 27 ARG N N 27 118.766 118.766 119.651 -0.885 25786 7814 1 19 . 1 1 27 27 ARG HA H 27 4.144 4.144 4.209 -0.065 25786 7815 1 19 . 1 1 27 27 ARG C C 27 179.241 179.241 178.626 0.615 25786 7816 1 19 . 1 1 27 27 ARG CA C 27 58.855 58.855 57.780 1.075 25786 7817 1 19 . 1 1 27 27 ARG CB C 27 29.996 29.996 30.089 -0.093 25786 7818 1 19 . 1 1 27 27 ARG H H 27 8.283 8.283 8.026 0.257 25786 7819 1 19 . 1 1 28 28 LEU N N 28 122.077 122.077 120.928 1.149 25786 7820 1 19 . 1 1 28 28 LEU HA H 28 4.106 4.106 4.005 0.101 25786 7821 1 19 . 1 1 28 28 LEU C C 28 178.766 178.766 179.062 -0.296 25786 7822 1 19 . 1 1 28 28 LEU CA C 28 58.558 58.558 58.116 0.442 25786 7823 1 19 . 1 1 28 28 LEU CB C 28 42.514 42.514 41.469 1.045 25786 7824 1 19 . 1 1 28 28 LEU H H 28 8.389 8.389 8.196 0.193 25786 7825 1 19 . 1 1 29 29 ILE N N 29 117.586 117.586 118.096 -0.510 25786 7826 1 19 . 1 1 29 29 ILE HA H 29 3.339 3.339 3.575 -0.236 25786 7827 1 19 . 1 1 29 29 ILE C C 29 177.927 177.927 177.947 -0.020 25786 7828 1 19 . 1 1 29 29 ILE CA C 29 66.203 66.203 65.959 0.244 25786 7829 1 19 . 1 1 29 29 ILE CB C 29 37.823 37.823 37.536 0.287 25786 7830 1 19 . 1 1 29 29 ILE H H 29 7.914 7.914 8.148 -0.234 25786 7831 1 19 . 1 1 30 30 GLN N N 30 116.395 116.395 118.014 -1.619 25786 7832 1 19 . 1 1 30 30 GLN HA H 30 4.157 4.157 4.078 0.079 25786 7833 1 19 . 1 1 30 30 GLN C C 30 179.400 179.400 178.394 1.006 25786 7834 1 19 . 1 1 30 30 GLN CA C 30 58.410 58.410 58.551 -0.141 25786 7835 1 19 . 1 1 30 30 GLN CB C 30 28.804 28.804 28.742 0.062 25786 7836 1 19 . 1 1 30 30 GLN H H 30 7.287 7.287 7.789 -0.502 25786 7837 1 19 . 1 1 31 31 GLU N N 31 120.336 120.336 120.688 -0.352 25786 7838 1 19 . 1 1 31 31 GLU HA H 31 4.023 4.023 4.139 -0.116 25786 7839 1 19 . 1 1 31 31 GLU C C 31 178.395 178.395 178.548 -0.153 25786 7840 1 19 . 1 1 31 31 GLU CA C 31 59.377 59.377 59.031 0.346 25786 7841 1 19 . 1 1 31 31 GLU CB C 31 30.436 30.436 29.779 0.657 25786 7842 1 19 . 1 1 31 31 GLU H H 31 8.814 8.814 8.472 0.342 25786 7843 1 19 . 1 1 32 32 LEU N N 32 115.139 115.139 115.314 -0.175 25786 7844 1 19 . 1 1 32 32 LEU HA H 32 4.377 4.377 4.382 -0.005 25786 7845 1 19 . 1 1 32 32 LEU C C 32 176.033 176.033 176.582 -0.549 25786 7846 1 19 . 1 1 32 32 LEU CA C 32 54.101 54.101 54.934 -0.833 25786 7847 1 19 . 1 1 32 32 LEU CB C 32 41.354 41.354 42.151 -0.798 25786 7848 1 19 . 1 1 32 32 LEU H H 32 8.109 8.109 8.121 -0.012 25786 7849 1 19 . 1 1 33 33 ASN N N 33 116.751 116.751 116.738 0.013 25786 7850 1 19 . 1 1 33 33 ASN HA H 33 4.453 4.453 4.409 0.044 25786 7851 1 19 . 1 1 33 33 ASN C C 33 174.288 174.288 174.103 0.185 25786 7852 1 19 . 1 1 33 33 ASN CA C 33 54.024 54.024 53.900 0.124 25786 7853 1 19 . 1 1 33 33 ASN CB C 33 36.929 36.929 37.562 -0.633 25786 7854 1 19 . 1 1 33 33 ASN H H 33 7.796 7.796 7.435 0.361 25786 7855 1 19 . 1 1 34 34 LEU N N 34 117.139 117.139 119.068 -1.929 25786 7856 1 19 . 1 1 34 34 LEU HA H 34 4.787 4.787 4.839 -0.052 25786 7857 1 19 . 1 1 34 34 LEU C C 34 176.521 176.521 175.209 1.312 25786 7858 1 19 . 1 1 34 34 LEU CA C 34 53.079 53.079 53.280 -0.201 25786 7859 1 19 . 1 1 34 34 LEU CB C 34 44.673 44.673 46.249 -1.576 25786 7860 1 19 . 1 1 34 34 LEU H H 34 7.728 7.728 8.563 -0.835 25786 7861 1 19 . 1 1 35 35 THR N N 35 110.751 110.751 108.387 2.364 25786 7862 1 19 . 1 1 35 35 THR HA H 35 4.803 4.803 4.778 0.025 25786 7863 1 19 . 1 1 35 35 THR C C 35 174.438 174.438 174.044 0.394 25786 7864 1 19 . 1 1 35 35 THR CA C 35 59.445 59.445 58.715 0.730 25786 7865 1 19 . 1 1 35 35 THR CB C 35 68.651 68.651 69.594 -0.943 25786 7866 1 19 . 1 1 35 35 THR H H 35 8.001 8.001 7.990 0.011 25786 7867 1 19 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.272 -0.195 25786 7868 1 19 . 1 1 36 36 PRO CA C 36 65.645 65.645 65.025 0.620 25786 7869 1 19 . 1 1 36 36 PRO CB C 36 31.632 31.632 31.677 -0.045 25786 7870 1 19 . 1 1 37 37 GLN N N 37 112.874 112.874 114.691 -1.817 25786 7871 1 19 . 1 1 37 37 GLN HA H 37 4.105 4.105 4.363 -0.258 25786 7872 1 19 . 1 1 37 37 GLN C C 37 176.960 176.960 177.004 -0.044 25786 7873 1 19 . 1 1 37 37 GLN CA C 37 57.891 57.891 56.750 1.141 25786 7874 1 19 . 1 1 37 37 GLN CB C 37 27.902 27.902 28.809 -0.907 25786 7875 1 19 . 1 1 37 37 GLN H H 37 8.005 8.005 7.504 0.501 25786 7876 1 19 . 1 1 38 38 GLN N N 38 116.477 116.477 117.168 -0.691 25786 7877 1 19 . 1 1 38 38 GLN HA H 38 4.187 4.187 4.328 -0.141 25786 7878 1 19 . 1 1 38 38 GLN C C 38 175.508 175.508 176.842 -1.334 25786 7879 1 19 . 1 1 38 38 GLN CA C 38 56.398 56.398 56.055 0.343 25786 7880 1 19 . 1 1 38 38 GLN CB C 38 31.126 31.126 29.908 1.218 25786 7881 1 19 . 1 1 38 38 GLN H H 38 7.663 7.663 7.721 -0.058 25786 7882 1 19 . 1 1 39 39 LEU N N 39 120.726 120.726 122.404 -1.678 25786 7883 1 19 . 1 1 39 39 LEU HA H 39 4.371 4.371 4.413 -0.042 25786 7884 1 19 . 1 1 39 39 LEU C C 39 174.277 174.277 174.914 -0.637 25786 7885 1 19 . 1 1 39 39 LEU CA C 39 53.959 53.959 53.673 0.286 25786 7886 1 19 . 1 1 39 39 LEU CB C 39 41.610 41.610 40.792 0.818 25786 7887 1 19 . 1 1 39 39 LEU H H 39 7.286 7.286 7.427 -0.141 25786 7888 1 19 . 1 1 40 40 HIS N N 40 124.680 124.680 122.894 1.786 25786 7889 1 19 . 1 1 40 40 HIS HA H 40 4.808 4.808 4.530 0.278 25786 7890 1 19 . 1 1 40 40 HIS C C 40 176.727 176.727 176.441 0.286 25786 7891 1 19 . 1 1 40 40 HIS CA C 40 54.762 54.762 56.652 -1.890 25786 7892 1 19 . 1 1 40 40 HIS CB C 40 31.521 31.521 32.001 -0.480 25786 7893 1 19 . 1 1 40 40 HIS H H 40 8.158 8.158 7.697 0.461 25786 7894 1 19 . 1 1 41 41 GLU HA H 41 4.029 4.029 4.030 -0.001 25786 7895 1 19 . 1 1 42 42 GLU N N 42 113.813 113.813 117.862 -4.049 25786 7896 1 19 . 1 1 42 42 GLU HA H 42 4.547 4.547 4.303 0.244 25786 7897 1 19 . 1 1 42 42 GLU C C 42 176.680 176.680 176.713 -0.033 25786 7898 1 19 . 1 1 42 42 GLU CA C 42 55.313 55.313 55.493 -0.180 25786 7899 1 19 . 1 1 42 42 GLU CB C 42 29.165 29.165 28.239 0.926 25786 7900 1 19 . 1 1 42 42 GLU H H 42 8.808 8.808 8.448 0.360 25786 7901 1 19 . 1 1 43 43 SER N N 43 118.066 118.066 117.308 0.758 25786 7902 1 19 . 1 1 43 43 SER HA H 43 4.088 4.088 4.360 -0.272 25786 7903 1 19 . 1 1 43 43 SER C C 43 173.663 173.663 173.557 0.106 25786 7904 1 19 . 1 1 43 43 SER CA C 43 60.156 60.156 58.904 1.252 25786 7905 1 19 . 1 1 43 43 SER CB C 43 62.827 62.827 64.206 -1.379 25786 7906 1 19 . 1 1 43 43 SER H H 43 7.485 7.485 7.845 -0.360 25786 7907 1 19 . 1 1 44 44 ASN N N 44 123.218 123.218 121.836 1.382 25786 7908 1 19 . 1 1 44 44 ASN HA H 44 4.392 4.392 4.857 -0.465 25786 7909 1 19 . 1 1 44 44 ASN C C 44 176.926 176.926 176.592 0.334 25786 7910 1 19 . 1 1 44 44 ASN CA C 44 53.987 53.987 53.454 0.533 25786 7911 1 19 . 1 1 44 44 ASN CB C 44 38.433 38.433 38.410 0.023 25786 7912 1 19 . 1 1 44 44 ASN H H 44 8.811 8.811 8.697 0.114 25786 7913 1 19 . 1 1 45 45 LEU N N 45 128.735 128.735 126.428 2.307 25786 7914 1 19 . 1 1 45 45 LEU HA H 45 3.722 3.722 3.931 -0.209 25786 7915 1 19 . 1 1 45 45 LEU C C 45 178.143 178.143 178.559 -0.416 25786 7916 1 19 . 1 1 45 45 LEU CA C 45 57.149 57.149 57.333 -0.184 25786 7917 1 19 . 1 1 45 45 LEU CB C 45 42.250 42.250 41.825 0.425 25786 7918 1 19 . 1 1 45 45 LEU H H 45 9.385 9.385 8.563 0.822 25786 7919 1 19 . 1 1 46 46 ILE N N 46 119.379 119.379 119.226 0.153 25786 7920 1 19 . 1 1 46 46 ILE HA H 46 4.187 4.187 4.140 0.047 25786 7921 1 19 . 1 1 46 46 ILE C C 46 180.926 180.926 179.079 1.847 25786 7922 1 19 . 1 1 46 46 ILE CA C 46 63.814 63.814 64.845 -1.031 25786 7923 1 19 . 1 1 46 46 ILE CB C 46 36.709 36.709 37.868 -1.159 25786 7924 1 19 . 1 1 46 46 ILE H H 46 7.659 7.659 8.039 -0.380 25786 7925 1 19 . 1 1 47 47 GLN N N 47 121.737 121.737 119.548 2.189 25786 7926 1 19 . 1 1 47 47 GLN HA H 47 3.989 3.989 4.200 -0.211 25786 7927 1 19 . 1 1 47 47 GLN C C 47 177.739 177.739 176.208 1.531 25786 7928 1 19 . 1 1 47 47 GLN CA C 47 58.033 58.033 57.565 0.468 25786 7929 1 19 . 1 1 47 47 GLN CB C 47 27.985 27.985 28.905 -0.920 25786 7930 1 19 . 1 1 47 47 GLN H H 47 8.161 8.161 7.992 0.169 25786 7931 1 19 . 1 1 48 48 ALA N N 48 117.777 117.777 119.976 -2.199 25786 7932 1 19 . 1 1 48 48 ALA HA H 48 4.260 4.260 4.514 -0.254 25786 7933 1 19 . 1 1 48 48 ALA C C 48 176.582 176.582 177.274 -0.692 25786 7934 1 19 . 1 1 48 48 ALA CA C 48 52.710 52.710 52.030 0.680 25786 7935 1 19 . 1 1 48 48 ALA CB C 48 18.601 18.601 19.684 -1.083 25786 7936 1 19 . 1 1 48 48 ALA H H 48 7.448 7.448 7.508 -0.060 25786 7937 1 19 . 1 1 49 49 GLY N N 49 102.932 102.932 105.644 -2.712 25786 7938 1 19 . 1 1 49 49 GLY C C 49 174.451 174.451 173.529 0.922 25786 7939 1 19 . 1 1 49 49 GLY CA C 49 44.967 44.967 44.804 0.163 25786 7940 1 19 . 1 1 49 49 GLY H H 49 7.445 7.445 7.635 -0.190 25786 7941 1 19 . 1 1 50 50 LEU N N 50 123.058 123.058 124.558 -1.500 25786 7942 1 19 . 1 1 50 50 LEU HA H 50 4.257 4.257 4.666 -0.409 25786 7943 1 19 . 1 1 50 50 LEU C C 50 173.460 173.460 175.724 -2.264 25786 7944 1 19 . 1 1 50 50 LEU CA C 50 55.909 55.909 53.790 2.119 25786 7945 1 19 . 1 1 50 50 LEU CB C 50 41.454 41.454 42.987 -1.533 25786 7946 1 19 . 1 1 50 50 LEU H H 50 8.545 8.545 7.946 0.599 25786 7947 1 19 . 1 1 54 54 ARG N N 54 121.407 121.407 121.449 -0.042 25786 7948 1 19 . 1 1 54 54 ARG HA H 54 4.088 4.088 3.941 0.147 25786 7949 1 19 . 1 1 54 54 ARG C C 54 179.647 179.647 178.056 1.591 25786 7950 1 19 . 1 1 54 54 ARG CA C 54 59.615 59.615 59.364 0.251 25786 7951 1 19 . 1 1 54 54 ARG CB C 54 30.633 30.633 30.812 -0.180 25786 7952 1 19 . 1 1 54 54 ARG H H 54 8.412 8.412 8.782 -0.370 25786 7953 1 19 . 1 1 55 55 LEU N N 55 121.118 121.118 119.484 1.634 25786 7954 1 19 . 1 1 55 55 LEU HA H 55 4.332 4.332 4.509 -0.177 25786 7955 1 19 . 1 1 55 55 LEU C C 55 178.416 178.416 179.245 -0.829 25786 7956 1 19 . 1 1 55 55 LEU CA C 55 59.035 59.035 57.968 1.067 25786 7957 1 19 . 1 1 55 55 LEU CB C 55 41.718 41.718 42.413 -0.695 25786 7958 1 19 . 1 1 55 55 LEU H H 55 9.050 9.050 8.306 0.744 25786 7959 1 19 . 1 1 56 56 MET N N 56 117.969 117.969 117.944 0.025 25786 7960 1 19 . 1 1 56 56 MET HA H 56 4.284 4.284 4.116 0.168 25786 7961 1 19 . 1 1 56 56 MET C C 56 178.301 178.301 177.881 0.420 25786 7962 1 19 . 1 1 56 56 MET CA C 56 57.927 57.927 58.662 -0.735 25786 7963 1 19 . 1 1 56 56 MET CB C 56 31.317 31.317 31.694 -0.377 25786 7964 1 19 . 1 1 56 56 MET H H 56 7.875 7.875 8.226 -0.351 25786 7965 1 19 . 1 1 57 57 ARG N N 57 119.532 119.532 118.588 0.944 25786 7966 1 19 . 1 1 57 57 ARG HA H 57 4.096 4.096 3.929 0.167 25786 7967 1 19 . 1 1 57 57 ARG C C 57 180.458 180.458 178.526 1.932 25786 7968 1 19 . 1 1 57 57 ARG CA C 57 59.770 59.770 58.693 1.077 25786 7969 1 19 . 1 1 57 57 ARG CB C 57 29.520 29.520 29.728 -0.208 25786 7970 1 19 . 1 1 57 57 ARG H H 57 7.609 7.609 7.485 0.124 25786 7971 1 19 . 1 1 58 58 TRP N N 58 121.820 121.820 119.270 2.550 25786 7972 1 19 . 1 1 58 58 TRP HA H 58 4.465 4.465 4.394 0.071 25786 7973 1 19 . 1 1 58 58 TRP C C 58 177.973 177.973 178.096 -0.123 25786 7974 1 19 . 1 1 58 58 TRP CA C 58 61.063 61.063 58.607 2.456 25786 7975 1 19 . 1 1 58 58 TRP CB C 58 28.348 28.348 29.507 -1.159 25786 7976 1 19 . 1 1 58 58 TRP H H 58 8.207 8.207 8.029 0.178 25786 7977 1 19 . 1 1 59 59 LEU N N 59 121.654 121.654 121.269 0.385 25786 7978 1 19 . 1 1 59 59 LEU HA H 59 4.274 4.274 4.366 -0.092 25786 7979 1 19 . 1 1 59 59 LEU C C 59 178.823 178.823 177.893 0.930 25786 7980 1 19 . 1 1 59 59 LEU CA C 59 59.044 59.044 57.244 1.800 25786 7981 1 19 . 1 1 59 59 LEU CB C 59 40.851 40.851 41.391 -0.540 25786 7982 1 19 . 1 1 59 59 LEU H H 59 8.599 8.599 7.524 1.075 25786 7983 1 19 . 1 1 60 60 HIS N N 60 116.952 116.952 116.820 0.132 25786 7984 1 19 . 1 1 60 60 HIS HA H 60 4.389 4.389 4.419 -0.030 25786 7985 1 19 . 1 1 60 60 HIS C C 60 177.635 177.635 176.927 0.708 25786 7986 1 19 . 1 1 60 60 HIS CA C 60 59.755 59.755 58.754 1.001 25786 7987 1 19 . 1 1 60 60 HIS CB C 60 30.083 30.083 29.619 0.464 25786 7988 1 19 . 1 1 60 60 HIS H H 60 7.909 7.909 7.988 -0.079 25786 7989 1 19 . 1 1 61 61 TRP N N 61 123.194 123.194 121.161 2.033 25786 7990 1 19 . 1 1 61 61 TRP HA H 61 4.032 4.032 4.125 -0.093 25786 7991 1 19 . 1 1 61 61 TRP C C 61 179.298 179.298 176.551 2.747 25786 7992 1 19 . 1 1 61 61 TRP CA C 61 62.541 62.541 60.733 1.808 25786 7993 1 19 . 1 1 61 61 TRP CB C 61 28.839 28.839 29.474 -0.635 25786 7994 1 19 . 1 1 61 61 TRP H H 61 8.142 8.142 7.598 0.544 25786 7995 1 19 . 1 1 62 62 PHE N N 62 120.038 120.038 118.404 1.634 25786 7996 1 19 . 1 1 62 62 PHE HA H 62 4.205 4.205 4.233 -0.028 25786 7997 1 19 . 1 1 62 62 PHE C C 62 179.080 179.080 177.727 1.353 25786 7998 1 19 . 1 1 62 62 PHE CA C 62 63.629 63.629 61.113 2.516 25786 7999 1 19 . 1 1 62 62 PHE CB C 62 38.664 38.664 38.735 -0.071 25786 8000 1 19 . 1 1 62 62 PHE H H 62 9.447 9.447 7.776 1.671 25786 8001 1 19 . 1 1 63 63 ARG N N 63 118.560 118.560 119.163 -0.603 25786 8002 1 19 . 1 1 63 63 ARG HA H 63 4.258 4.258 4.338 -0.080 25786 8003 1 19 . 1 1 63 63 ARG C C 63 181.328 181.328 179.198 2.130 25786 8004 1 19 . 1 1 63 63 ARG CA C 63 59.257 59.257 57.566 1.691 25786 8005 1 19 . 1 1 63 63 ARG CB C 63 29.697 29.697 29.590 0.107 25786 8006 1 19 . 1 1 63 63 ARG H H 63 8.665 8.665 8.518 0.147 25786 8007 1 19 . 1 1 64 64 LYS N N 64 122.759 122.759 119.611 3.148 25786 8008 1 19 . 1 1 64 64 LYS HA H 64 4.019 4.019 4.037 -0.018 25786 8009 1 19 . 1 1 64 64 LYS C C 64 177.595 177.595 177.142 0.453 25786 8010 1 19 . 1 1 64 64 LYS CA C 64 58.651 58.651 58.708 -0.057 25786 8011 1 19 . 1 1 64 64 LYS CB C 64 31.510 31.510 31.663 -0.153 25786 8012 1 19 . 1 1 64 64 LYS H H 64 8.690 8.690 7.911 0.779 25786 8013 1 19 . 1 1 65 65 ASN N N 65 115.681 115.681 116.353 -0.672 25786 8014 1 19 . 1 1 65 65 ASN HA H 65 4.532 4.532 4.661 -0.129 25786 8015 1 19 . 1 1 65 65 ASN C C 65 173.405 173.405 174.490 -1.085 25786 8016 1 19 . 1 1 65 65 ASN CA C 65 53.685 53.685 52.360 1.325 25786 8017 1 19 . 1 1 65 65 ASN CB C 65 39.038 39.038 39.135 -0.097 25786 8018 1 19 . 1 1 65 65 ASN H H 65 7.246 7.246 7.494 -0.248 25786 8019 1 19 . 1 1 66 66 GLY N N 66 105.186 105.186 106.180 -0.994 25786 8020 1 19 . 1 1 66 66 GLY C C 66 173.869 173.869 174.822 -0.953 25786 8021 1 19 . 1 1 66 66 GLY CA C 66 45.539 45.539 45.236 0.303 25786 8022 1 19 . 1 1 66 66 GLY H H 66 7.603 7.603 7.777 -0.174 25786 8023 1 19 . 1 1 67 67 TYR N N 67 119.699 119.699 123.301 -3.602 25786 8024 1 19 . 1 1 67 67 TYR HA H 67 4.542 4.542 4.344 0.198 25786 8025 1 19 . 1 1 67 67 TYR C C 67 175.838 175.838 176.273 -0.435 25786 8026 1 19 . 1 1 67 67 TYR CA C 67 57.858 57.858 59.114 -1.256 25786 8027 1 19 . 1 1 67 67 TYR CB C 67 38.564 38.564 37.084 1.480 25786 8028 1 19 . 1 1 67 67 TYR H H 67 8.248 8.248 7.358 0.890 25786 8029 1 19 . 1 1 68 68 ARG N N 68 125.588 125.588 127.254 -1.666 25786 8030 1 19 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.446 -0.057 25786 8031 1 19 . 1 1 68 68 ARG C C 68 174.479 174.479 175.237 -0.758 25786 8032 1 19 . 1 1 68 68 ARG CA C 68 55.649 55.649 55.841 -0.192 25786 8033 1 19 . 1 1 68 68 ARG CB C 68 28.357 28.357 28.644 -0.287 25786 8034 1 19 . 1 1 68 68 ARG H H 68 8.550 8.550 9.629 -1.079 25786 8035 1 19 . 1 1 69 69 LEU N N 69 122.034 122.034 124.047 -2.013 25786 8036 1 19 . 1 1 69 69 LEU HA H 69 4.711 4.711 4.556 0.155 25786 8037 1 19 . 1 1 69 69 LEU C C 69 175.630 175.630 176.844 -1.214 25786 8038 1 19 . 1 1 69 69 LEU CA C 69 53.367 53.367 53.865 -0.498 25786 8039 1 19 . 1 1 69 69 LEU CB C 69 44.286 44.286 43.929 0.357 25786 8040 1 19 . 1 1 69 69 LEU H H 69 7.421 7.421 7.812 -0.391 25786 8041 1 19 . 1 1 70 70 THR N N 70 109.789 109.789 117.253 -7.464 25786 8042 1 19 . 1 1 70 70 THR HA H 70 4.721 4.721 4.545 0.176 25786 8043 1 19 . 1 1 70 70 THR C C 70 174.636 174.636 174.982 -0.346 25786 8044 1 19 . 1 1 70 70 THR CA C 70 59.377 59.377 61.288 -1.911 25786 8045 1 19 . 1 1 70 70 THR CB C 70 72.180 72.180 70.338 1.842 25786 8046 1 19 . 1 1 70 70 THR H H 70 8.163 8.163 8.878 -0.715 25786 8047 1 19 . 1 1 71 71 LEU N N 71 122.563 122.563 126.527 -3.964 25786 8048 1 19 . 1 1 71 71 LEU HA H 71 3.885 3.885 3.973 -0.088 25786 8049 1 19 . 1 1 71 71 LEU C C 71 178.632 178.632 178.071 0.561 25786 8050 1 19 . 1 1 71 71 LEU CA C 71 58.196 58.196 57.788 0.408 25786 8051 1 19 . 1 1 71 71 LEU CB C 71 41.940 41.940 42.228 -0.289 25786 8052 1 19 . 1 1 71 71 LEU H H 71 8.825 8.825 8.793 0.032 25786 8053 1 19 . 1 1 72 72 ARG N N 72 115.949 115.949 119.002 -3.053 25786 8054 1 19 . 1 1 72 72 ARG HA H 72 3.876 3.876 4.070 -0.194 25786 8055 1 19 . 1 1 72 72 ARG C C 72 178.893 178.893 178.313 0.580 25786 8056 1 19 . 1 1 72 72 ARG CA C 72 59.147 59.147 59.995 -0.848 25786 8057 1 19 . 1 1 72 72 ARG CB C 72 29.631 29.631 29.719 -0.088 25786 8058 1 19 . 1 1 72 72 ARG H H 72 8.244 8.244 8.558 -0.314 25786 8059 1 19 . 1 1 73 73 GLU N N 73 117.665 117.665 118.822 -1.157 25786 8060 1 19 . 1 1 73 73 GLU HA H 73 3.951 3.951 4.098 -0.147 25786 8061 1 19 . 1 1 73 73 GLU C C 73 178.762 178.762 179.279 -0.517 25786 8062 1 19 . 1 1 73 73 GLU CA C 73 59.092 59.092 59.532 -0.440 25786 8063 1 19 . 1 1 73 73 GLU CB C 73 29.739 29.739 28.896 0.843 25786 8064 1 19 . 1 1 73 73 GLU H H 73 7.461 7.461 7.785 -0.324 25786 8065 1 19 . 1 1 74 74 LEU N N 74 117.724 117.724 119.456 -1.732 25786 8066 1 19 . 1 1 74 74 LEU HA H 74 3.898 3.898 4.286 -0.388 25786 8067 1 19 . 1 1 74 74 LEU C C 74 179.355 179.355 179.061 0.294 25786 8068 1 19 . 1 1 74 74 LEU CA C 74 57.469 57.469 57.142 0.328 25786 8069 1 19 . 1 1 74 74 LEU CB C 74 41.619 41.619 41.621 -0.002 25786 8070 1 19 . 1 1 74 74 LEU H H 74 7.413 7.413 7.207 0.206 25786 8071 1 19 . 1 1 75 75 TYR N N 75 114.976 114.976 116.381 -1.405 25786 8072 1 19 . 1 1 75 75 TYR HA H 75 4.054 4.054 4.418 -0.364 25786 8073 1 19 . 1 1 75 75 TYR C C 75 176.656 176.656 178.210 -1.554 25786 8074 1 19 . 1 1 75 75 TYR CA C 75 60.638 60.638 59.960 0.678 25786 8075 1 19 . 1 1 75 75 TYR CB C 75 39.688 39.688 37.950 1.738 25786 8076 1 19 . 1 1 75 75 TYR H H 75 8.086 8.086 7.666 0.420 25786 8077 1 19 . 1 1 76 76 ALA N N 76 119.116 119.116 120.869 -1.753 25786 8078 1 19 . 1 1 76 76 ALA HA H 76 4.052 4.052 4.339 -0.287 25786 8079 1 19 . 1 1 76 76 ALA C C 76 178.156 178.156 177.264 0.892 25786 8080 1 19 . 1 1 76 76 ALA CA C 76 54.468 54.468 53.328 1.140 25786 8081 1 19 . 1 1 76 76 ALA CB C 76 18.535 18.535 19.579 -1.044 25786 8082 1 19 . 1 1 76 76 ALA H H 76 7.776 7.776 7.812 -0.036 25786 8083 1 19 . 1 1 77 77 ALA N N 77 116.862 116.862 120.824 -3.962 25786 8084 1 19 . 1 1 77 77 ALA C C 77 173.737 173.737 174.437 -0.700 25786 8085 1 19 . 1 1 77 77 ALA CA C 77 49.713 49.713 49.489 0.224 25786 8086 1 19 . 1 1 77 77 ALA CB C 77 19.226 19.226 19.547 -0.321 25786 8087 1 19 . 1 1 77 77 ALA H H 77 6.706 6.706 7.918 -1.212 25786 8088 1 19 . 1 1 78 78 PRO HA H 78 5.018 5.018 4.941 0.077 25786 8089 1 19 . 1 1 78 78 PRO CA C 78 61.523 61.523 62.368 -0.845 25786 8090 1 19 . 1 1 78 78 PRO CB C 78 28.845 28.845 30.621 -1.776 25786 8091 1 19 . 1 1 79 79 THR N N 79 111.947 111.947 112.910 -0.963 25786 8092 1 19 . 1 1 79 79 THR HA H 79 4.396 4.396 4.793 -0.397 25786 8093 1 19 . 1 1 79 79 THR C C 79 173.000 173.000 174.094 -1.094 25786 8094 1 19 . 1 1 79 79 THR CA C 79 58.059 58.059 59.556 -1.497 25786 8095 1 19 . 1 1 79 79 THR CB C 79 72.247 72.247 72.432 -0.185 25786 8096 1 19 . 1 1 79 79 THR H H 79 7.664 7.664 7.039 0.625 25786 8097 1 19 . 1 1 80 80 LEU N N 80 123.227 123.227 123.435 -0.208 25786 8098 1 19 . 1 1 80 80 LEU HA H 80 3.747 3.747 3.825 -0.078 25786 8099 1 19 . 1 1 80 80 LEU C C 80 179.028 179.028 177.844 1.184 25786 8100 1 19 . 1 1 80 80 LEU CA C 80 58.209 58.209 57.549 0.660 25786 8101 1 19 . 1 1 80 80 LEU CB C 80 41.579 41.579 41.712 -0.133 25786 8102 1 19 . 1 1 80 80 LEU H H 80 9.609 9.609 8.467 1.142 25786 8103 1 19 . 1 1 81 81 ALA N N 81 119.663 119.663 121.604 -1.941 25786 8104 1 19 . 1 1 81 81 ALA HA H 81 4.141 4.141 4.073 0.068 25786 8105 1 19 . 1 1 81 81 ALA C C 81 181.038 181.038 179.249 1.789 25786 8106 1 19 . 1 1 81 81 ALA CA C 81 54.876 54.876 55.156 -0.280 25786 8107 1 19 . 1 1 81 81 ALA CB C 81 18.428 18.428 18.105 0.323 25786 8108 1 19 . 1 1 81 81 ALA H H 81 8.831 8.831 7.793 1.038 25786 8109 1 19 . 1 1 82 82 ALA N N 82 122.181 122.181 120.525 1.656 25786 8110 1 19 . 1 1 82 82 ALA HA H 82 4.225 4.225 4.206 0.019 25786 8111 1 19 . 1 1 82 82 ALA C C 82 181.868 181.868 179.712 2.156 25786 8112 1 19 . 1 1 82 82 ALA CA C 82 54.808 54.808 54.744 0.064 25786 8113 1 19 . 1 1 82 82 ALA CB C 82 19.088 19.088 18.334 0.754 25786 8114 1 19 . 1 1 82 82 ALA H H 82 8.272 8.272 7.564 0.708 25786 8115 1 19 . 1 1 83 83 TRP N N 83 123.399 123.399 119.359 4.040 25786 8116 1 19 . 1 1 83 83 TRP HA H 83 4.543 4.543 4.248 0.295 25786 8117 1 19 . 1 1 83 83 TRP C C 83 178.633 178.633 178.666 -0.033 25786 8118 1 19 . 1 1 83 83 TRP CA C 83 59.562 59.562 58.683 0.879 25786 8119 1 19 . 1 1 83 83 TRP CB C 83 28.301 28.301 28.379 -0.078 25786 8120 1 19 . 1 1 83 83 TRP H H 83 9.378 9.378 7.656 1.722 25786 8121 1 19 . 1 1 84 84 ASN N N 84 118.250 118.250 117.777 0.473 25786 8122 1 19 . 1 1 84 84 ASN HA H 84 4.616 4.616 4.459 0.157 25786 8123 1 19 . 1 1 84 84 ASN C C 84 177.231 177.231 177.430 -0.199 25786 8124 1 19 . 1 1 84 84 ASN CA C 84 57.096 57.096 56.903 0.193 25786 8125 1 19 . 1 1 84 84 ASN CB C 84 39.229 39.229 38.260 0.970 25786 8126 1 19 . 1 1 84 84 ASN H H 84 9.136 9.136 8.529 0.607 25786 8127 1 19 . 1 1 85 85 GLN N N 85 116.261 116.261 119.440 -3.179 25786 8128 1 19 . 1 1 85 85 GLN HA H 85 4.011 4.011 4.016 -0.005 25786 8129 1 19 . 1 1 85 85 GLN C C 85 179.455 179.455 178.885 0.570 25786 8130 1 19 . 1 1 85 85 GLN CA C 85 58.748 58.748 58.958 -0.210 25786 8131 1 19 . 1 1 85 85 GLN CB C 85 27.840 27.840 28.433 -0.593 25786 8132 1 19 . 1 1 85 85 GLN H H 85 7.511 7.511 7.639 -0.128 25786 8133 1 19 . 1 1 86 86 LEU N N 86 121.554 121.554 117.718 3.836 25786 8134 1 19 . 1 1 86 86 LEU HA H 86 4.041 4.041 3.946 0.095 25786 8135 1 19 . 1 1 86 86 LEU C C 86 179.171 179.171 177.975 1.196 25786 8136 1 19 . 1 1 86 86 LEU CA C 86 57.804 57.804 57.320 0.484 25786 8137 1 19 . 1 1 86 86 LEU CB C 86 41.915 41.915 41.387 0.528 25786 8138 1 19 . 1 1 86 86 LEU H H 86 8.172 8.172 8.224 -0.052 25786 8139 1 19 . 1 1 87 87 MET N N 87 117.874 117.874 115.415 2.459 25786 8140 1 19 . 1 1 87 87 MET HA H 87 3.752 3.752 3.336 0.416 25786 8141 1 19 . 1 1 87 87 MET C C 87 178.221 178.221 177.993 0.228 25786 8142 1 19 . 1 1 87 87 MET CA C 87 59.481 59.481 57.981 1.500 25786 8143 1 19 . 1 1 87 87 MET CB C 87 34.875 34.875 33.313 1.562 25786 8144 1 19 . 1 1 87 87 MET H H 87 8.197 8.197 7.172 1.025 25786 8145 1 19 . 1 1 88 88 LEU N N 88 117.598 117.598 121.504 -3.906 25786 8146 1 19 . 1 1 88 88 LEU HA H 88 4.054 4.054 4.105 -0.051 25786 8147 1 19 . 1 1 88 88 LEU C C 88 179.237 179.237 178.744 0.493 25786 8148 1 19 . 1 1 88 88 LEU CA C 88 57.076 57.076 58.434 -1.357 25786 8149 1 19 . 1 1 88 88 LEU CB C 88 42.395 42.395 41.715 0.680 25786 8150 1 19 . 1 1 88 88 LEU H H 88 7.902 7.902 8.737 -0.835 25786 8151 1 19 . 1 1 89 89 SER N N 89 113.195 113.195 111.410 1.785 25786 8152 1 19 . 1 1 89 89 SER HA H 89 4.038 4.038 4.352 -0.314 25786 8153 1 19 . 1 1 89 89 SER C C 89 175.090 175.090 175.676 -0.586 25786 8154 1 19 . 1 1 89 89 SER CA C 89 59.901 59.901 59.894 0.007 25786 8155 1 19 . 1 1 89 89 SER CB C 89 63.834 63.834 62.991 0.843 25786 8156 1 19 . 1 1 89 89 SER H H 89 7.958 7.958 8.072 -0.114 25786 8157 1 19 . 1 1 90 90 ARG N N 90 122.031 122.031 119.738 2.293 25786 8158 1 19 . 1 1 90 90 ARG HA H 90 4.701 4.701 4.478 0.223 25786 8159 1 19 . 1 1 90 90 ARG C C 90 175.695 175.695 176.073 -0.378 25786 8160 1 19 . 1 1 90 90 ARG CA C 90 53.905 53.905 56.847 -2.942 25786 8161 1 19 . 1 1 90 90 ARG CB C 90 29.631 29.631 31.650 -2.019 25786 8162 1 19 . 1 1 90 90 ARG H H 90 7.923 7.923 7.773 0.150 25786 8163 1 19 . 1 1 91 91 SER N N 91 117.191 117.191 113.356 3.835 25786 8164 1 19 . 1 1 91 91 SER C C 91 172.914 172.914 171.658 1.256 25786 8165 1 19 . 1 1 91 91 SER CA C 91 57.104 57.104 59.250 -2.146 25786 8166 1 19 . 1 1 91 91 SER CB C 91 63.437 63.437 61.781 1.656 25786 8167 1 19 . 1 1 91 91 SER H H 91 7.752 7.752 8.642 -0.890 25786 8168 1 19 . 1 1 92 92 PRO HA H 92 4.420 4.420 4.140 0.280 25786 8169 1 19 . 1 1 92 92 PRO CA C 92 63.414 63.414 63.726 -0.312 25786 8170 1 19 . 1 1 92 92 PRO CB C 92 31.895 31.895 31.788 0.107 25786 8171 1 20 . 1 1 15 15 ASN N N 15 119.857 119.857 118.697 1.160 25786 8172 1 20 . 1 1 15 15 ASN HA H 15 4.719 4.719 4.481 0.238 25786 8173 1 20 . 1 1 15 15 ASN C C 15 175.735 175.735 176.563 -0.828 25786 8174 1 20 . 1 1 15 15 ASN CA C 15 53.556 53.556 55.114 -1.558 25786 8175 1 20 . 1 1 15 15 ASN CB C 15 38.731 38.731 39.207 -0.476 25786 8176 1 20 . 1 1 15 15 ASN H H 15 8.425 8.425 8.415 0.010 25786 8177 1 20 . 1 1 16 16 ARG N N 16 122.030 122.030 118.098 3.932 25786 8178 1 20 . 1 1 16 16 ARG HA H 16 4.211 4.211 3.699 0.512 25786 8179 1 20 . 1 1 16 16 ARG C C 16 176.669 176.669 178.214 -1.545 25786 8180 1 20 . 1 1 16 16 ARG CA C 16 57.735 57.735 59.196 -1.461 25786 8181 1 20 . 1 1 16 16 ARG CB C 16 30.224 30.224 28.331 1.893 25786 8182 1 20 . 1 1 16 16 ARG H H 16 8.347 8.347 8.470 -0.123 25786 8183 1 20 . 1 1 17 17 HIS N N 17 118.590 118.590 120.436 -1.846 25786 8184 1 20 . 1 1 17 17 HIS HA H 17 4.563 4.563 4.414 0.149 25786 8185 1 20 . 1 1 17 17 HIS C C 17 176.284 176.284 177.253 -0.969 25786 8186 1 20 . 1 1 17 17 HIS CA C 17 58.394 58.394 59.221 -0.827 25786 8187 1 20 . 1 1 17 17 HIS CB C 17 30.362 30.362 29.889 0.473 25786 8188 1 20 . 1 1 17 17 HIS H H 17 8.395 8.395 8.166 0.229 25786 8189 1 20 . 1 1 18 18 ALA N N 18 122.047 122.047 120.917 1.130 25786 8190 1 20 . 1 1 18 18 ALA HA H 18 4.182 4.182 4.213 -0.031 25786 8191 1 20 . 1 1 18 18 ALA C C 18 180.003 180.003 178.168 1.835 25786 8192 1 20 . 1 1 18 18 ALA CA C 18 54.294 54.294 54.258 0.036 25786 8193 1 20 . 1 1 18 18 ALA CB C 18 18.849 18.849 18.166 0.683 25786 8194 1 20 . 1 1 18 18 ALA H H 18 8.436 8.436 8.040 0.396 25786 8195 1 20 . 1 1 19 19 ALA N N 19 122.607 122.607 120.747 1.860 25786 8196 1 20 . 1 1 19 19 ALA HA H 19 4.275 4.275 4.159 0.116 25786 8197 1 20 . 1 1 19 19 ALA C C 19 180.295 180.295 179.358 0.937 25786 8198 1 20 . 1 1 19 19 ALA CA C 19 55.040 55.040 54.930 0.110 25786 8199 1 20 . 1 1 19 19 ALA CB C 19 18.267 18.267 18.528 -0.261 25786 8200 1 20 . 1 1 19 19 ALA H H 19 8.402 8.402 7.636 0.766 25786 8201 1 20 . 1 1 20 20 ASP N N 20 118.796 118.796 117.806 0.990 25786 8202 1 20 . 1 1 20 20 ASP HA H 20 4.837 4.837 4.608 0.229 25786 8203 1 20 . 1 1 20 20 ASP C C 20 177.313 177.313 177.886 -0.573 25786 8204 1 20 . 1 1 20 20 ASP CA C 20 56.725 56.725 56.076 0.649 25786 8205 1 20 . 1 1 20 20 ASP CB C 20 40.189 40.189 40.537 -0.348 25786 8206 1 20 . 1 1 20 20 ASP H H 20 8.317 8.317 8.539 -0.222 25786 8207 1 20 . 1 1 21 21 TYR N N 21 120.958 120.958 121.960 -1.002 25786 8208 1 20 . 1 1 21 21 TYR HA H 21 4.058 4.058 4.176 -0.118 25786 8209 1 20 . 1 1 21 21 TYR C C 21 176.282 176.282 177.213 -0.931 25786 8210 1 20 . 1 1 21 21 TYR CA C 21 61.892 61.892 61.978 -0.086 25786 8211 1 20 . 1 1 21 21 TYR CB C 21 38.655 38.655 38.424 0.231 25786 8212 1 20 . 1 1 21 21 TYR H H 21 8.679 8.679 7.614 1.065 25786 8213 1 20 . 1 1 22 22 GLN N N 22 117.715 117.715 117.835 -0.120 25786 8214 1 20 . 1 1 22 22 GLN HA H 22 3.826 3.826 3.927 -0.101 25786 8215 1 20 . 1 1 22 22 GLN C C 22 178.197 178.197 178.200 -0.003 25786 8216 1 20 . 1 1 22 22 GLN CA C 22 59.110 59.110 59.575 -0.465 25786 8217 1 20 . 1 1 22 22 GLN CB C 22 27.430 27.430 28.059 -0.629 25786 8218 1 20 . 1 1 22 22 GLN H H 22 8.236 8.236 8.197 0.039 25786 8219 1 20 . 1 1 23 23 GLN N N 23 118.526 118.526 118.363 0.163 25786 8220 1 20 . 1 1 23 23 GLN HA H 23 4.100 4.100 4.047 0.053 25786 8221 1 20 . 1 1 23 23 GLN C C 23 177.521 177.521 178.638 -1.117 25786 8222 1 20 . 1 1 23 23 GLN CA C 23 58.915 58.915 58.612 0.303 25786 8223 1 20 . 1 1 23 23 GLN CB C 23 29.032 29.032 28.140 0.892 25786 8224 1 20 . 1 1 23 23 GLN H H 23 8.003 8.003 7.749 0.254 25786 8225 1 20 . 1 1 24 24 LEU N N 24 121.914 121.914 121.318 0.596 25786 8226 1 20 . 1 1 24 24 LEU HA H 24 3.444 3.444 3.181 0.263 25786 8227 1 20 . 1 1 24 24 LEU C C 24 176.882 176.882 177.920 -1.038 25786 8228 1 20 . 1 1 24 24 LEU CA C 24 58.115 58.115 57.491 0.624 25786 8229 1 20 . 1 1 24 24 LEU CB C 24 41.704 41.704 41.344 0.360 25786 8230 1 20 . 1 1 24 24 LEU H H 24 8.031 8.031 7.642 0.389 25786 8231 1 20 . 1 1 25 25 ARG N N 25 116.645 116.645 118.999 -2.354 25786 8232 1 20 . 1 1 25 25 ARG HA H 25 3.395 3.395 3.491 -0.096 25786 8233 1 20 . 1 1 25 25 ARG C C 25 177.469 177.469 178.239 -0.770 25786 8234 1 20 . 1 1 25 25 ARG CA C 25 60.246 60.246 59.918 0.328 25786 8235 1 20 . 1 1 25 25 ARG CB C 25 29.925 29.925 29.818 0.107 25786 8236 1 20 . 1 1 25 25 ARG H H 25 7.981 7.981 8.175 -0.194 25786 8237 1 20 . 1 1 26 26 GLU N N 26 115.943 115.943 117.752 -1.809 25786 8238 1 20 . 1 1 26 26 GLU HA H 26 3.832 3.832 4.005 -0.173 25786 8239 1 20 . 1 1 26 26 GLU C C 26 179.682 179.682 179.483 0.199 25786 8240 1 20 . 1 1 26 26 GLU CA C 26 59.517 59.517 59.097 0.420 25786 8241 1 20 . 1 1 26 26 GLU CB C 26 29.439 29.439 28.967 0.472 25786 8242 1 20 . 1 1 26 26 GLU H H 26 8.160 8.160 7.770 0.390 25786 8243 1 20 . 1 1 27 27 ARG N N 27 118.766 118.766 119.937 -1.171 25786 8244 1 20 . 1 1 27 27 ARG HA H 27 4.144 4.144 4.206 -0.062 25786 8245 1 20 . 1 1 27 27 ARG C C 27 179.241 179.241 178.607 0.634 25786 8246 1 20 . 1 1 27 27 ARG CA C 27 58.855 58.855 57.659 1.196 25786 8247 1 20 . 1 1 27 27 ARG CB C 27 29.996 29.996 29.908 0.088 25786 8248 1 20 . 1 1 27 27 ARG H H 27 8.283 8.283 7.621 0.662 25786 8249 1 20 . 1 1 28 28 LEU N N 28 122.077 122.077 121.201 0.876 25786 8250 1 20 . 1 1 28 28 LEU HA H 28 4.106 4.106 3.984 0.122 25786 8251 1 20 . 1 1 28 28 LEU C C 28 178.766 178.766 178.828 -0.062 25786 8252 1 20 . 1 1 28 28 LEU CA C 28 58.558 58.558 58.060 0.498 25786 8253 1 20 . 1 1 28 28 LEU CB C 28 42.514 42.514 41.522 0.992 25786 8254 1 20 . 1 1 28 28 LEU H H 28 8.389 8.389 8.075 0.314 25786 8255 1 20 . 1 1 29 29 ILE N N 29 117.586 117.586 119.004 -1.418 25786 8256 1 20 . 1 1 29 29 ILE HA H 29 3.339 3.339 3.494 -0.155 25786 8257 1 20 . 1 1 29 29 ILE C C 29 177.927 177.927 177.900 0.027 25786 8258 1 20 . 1 1 29 29 ILE CA C 29 66.203 66.203 65.908 0.295 25786 8259 1 20 . 1 1 29 29 ILE CB C 29 37.823 37.823 37.538 0.285 25786 8260 1 20 . 1 1 29 29 ILE H H 29 7.914 7.914 7.961 -0.047 25786 8261 1 20 . 1 1 30 30 GLN N N 30 116.395 116.395 118.033 -1.638 25786 8262 1 20 . 1 1 30 30 GLN HA H 30 4.157 4.157 4.036 0.121 25786 8263 1 20 . 1 1 30 30 GLN C C 30 179.400 179.400 179.241 0.159 25786 8264 1 20 . 1 1 30 30 GLN CA C 30 58.410 58.410 58.763 -0.353 25786 8265 1 20 . 1 1 30 30 GLN CB C 30 28.804 28.804 28.603 0.201 25786 8266 1 20 . 1 1 30 30 GLN H H 30 7.287 7.287 7.639 -0.352 25786 8267 1 20 . 1 1 31 31 GLU N N 31 120.336 120.336 122.300 -1.964 25786 8268 1 20 . 1 1 31 31 GLU HA H 31 4.023 4.023 4.130 -0.107 25786 8269 1 20 . 1 1 31 31 GLU C C 31 178.395 178.395 178.353 0.042 25786 8270 1 20 . 1 1 31 31 GLU CA C 31 59.377 59.377 59.156 0.221 25786 8271 1 20 . 1 1 31 31 GLU CB C 31 30.436 30.436 29.621 0.815 25786 8272 1 20 . 1 1 31 31 GLU H H 31 8.814 8.814 8.438 0.376 25786 8273 1 20 . 1 1 32 32 LEU N N 32 115.139 115.139 114.966 0.173 25786 8274 1 20 . 1 1 32 32 LEU HA H 32 4.377 4.377 4.406 -0.029 25786 8275 1 20 . 1 1 32 32 LEU C C 32 176.033 176.033 176.735 -0.702 25786 8276 1 20 . 1 1 32 32 LEU CA C 32 54.101 54.101 54.575 -0.474 25786 8277 1 20 . 1 1 32 32 LEU CB C 32 41.354 41.354 41.794 -0.440 25786 8278 1 20 . 1 1 32 32 LEU H H 32 8.109 8.109 8.220 -0.111 25786 8279 1 20 . 1 1 33 33 ASN N N 33 116.751 116.751 115.816 0.935 25786 8280 1 20 . 1 1 33 33 ASN HA H 33 4.453 4.453 4.406 0.047 25786 8281 1 20 . 1 1 33 33 ASN C C 33 174.288 174.288 174.457 -0.169 25786 8282 1 20 . 1 1 33 33 ASN CA C 33 54.024 54.024 54.207 -0.183 25786 8283 1 20 . 1 1 33 33 ASN CB C 33 36.929 36.929 37.262 -0.333 25786 8284 1 20 . 1 1 33 33 ASN H H 33 7.796 7.796 7.780 0.016 25786 8285 1 20 . 1 1 34 34 LEU N N 34 117.139 117.139 117.406 -0.267 25786 8286 1 20 . 1 1 34 34 LEU HA H 34 4.787 4.787 4.759 0.028 25786 8287 1 20 . 1 1 34 34 LEU C C 34 176.521 176.521 175.318 1.203 25786 8288 1 20 . 1 1 34 34 LEU CA C 34 53.079 53.079 53.654 -0.575 25786 8289 1 20 . 1 1 34 34 LEU CB C 34 44.673 44.673 45.402 -0.729 25786 8290 1 20 . 1 1 34 34 LEU H H 34 7.728 7.728 8.648 -0.920 25786 8291 1 20 . 1 1 35 35 THR N N 35 110.751 110.751 107.327 3.424 25786 8292 1 20 . 1 1 35 35 THR HA H 35 4.803 4.803 4.849 -0.046 25786 8293 1 20 . 1 1 35 35 THR C C 35 174.438 174.438 173.310 1.128 25786 8294 1 20 . 1 1 35 35 THR CA C 35 59.445 59.445 58.300 1.145 25786 8295 1 20 . 1 1 35 35 THR CB C 35 68.651 68.651 69.990 -1.339 25786 8296 1 20 . 1 1 35 35 THR H H 35 8.001 8.001 7.960 0.041 25786 8297 1 20 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.253 -0.176 25786 8298 1 20 . 1 1 36 36 PRO CA C 36 65.645 65.645 65.029 0.615 25786 8299 1 20 . 1 1 36 36 PRO CB C 36 31.632 31.632 31.896 -0.265 25786 8300 1 20 . 1 1 37 37 GLN N N 37 112.874 112.874 113.247 -0.373 25786 8301 1 20 . 1 1 37 37 GLN HA H 37 4.105 4.105 4.303 -0.198 25786 8302 1 20 . 1 1 37 37 GLN C C 37 176.960 176.960 176.845 0.115 25786 8303 1 20 . 1 1 37 37 GLN CA C 37 57.891 57.891 56.686 1.205 25786 8304 1 20 . 1 1 37 37 GLN CB C 37 27.902 27.902 27.824 0.078 25786 8305 1 20 . 1 1 37 37 GLN H H 37 8.005 8.005 8.368 -0.363 25786 8306 1 20 . 1 1 38 38 GLN N N 38 116.477 116.477 116.994 -0.517 25786 8307 1 20 . 1 1 38 38 GLN HA H 38 4.187 4.187 4.432 -0.245 25786 8308 1 20 . 1 1 38 38 GLN C C 38 175.508 175.508 176.637 -1.129 25786 8309 1 20 . 1 1 38 38 GLN CA C 38 56.398 56.398 56.159 0.239 25786 8310 1 20 . 1 1 38 38 GLN CB C 38 31.126 31.126 31.025 0.101 25786 8311 1 20 . 1 1 38 38 GLN H H 38 7.663 7.663 7.849 -0.186 25786 8312 1 20 . 1 1 39 39 LEU N N 39 120.726 120.726 122.838 -2.112 25786 8313 1 20 . 1 1 39 39 LEU HA H 39 4.371 4.371 4.315 0.056 25786 8314 1 20 . 1 1 39 39 LEU C C 39 174.277 174.277 175.462 -1.185 25786 8315 1 20 . 1 1 39 39 LEU CA C 39 53.959 53.959 54.017 -0.059 25786 8316 1 20 . 1 1 39 39 LEU CB C 39 41.610 41.610 40.696 0.914 25786 8317 1 20 . 1 1 39 39 LEU H H 39 7.286 7.286 8.015 -0.729 25786 8318 1 20 . 1 1 40 40 HIS N N 40 124.680 124.680 124.289 0.391 25786 8319 1 20 . 1 1 40 40 HIS HA H 40 4.808 4.808 4.572 0.236 25786 8320 1 20 . 1 1 40 40 HIS C C 40 176.727 176.727 176.217 0.510 25786 8321 1 20 . 1 1 40 40 HIS CA C 40 54.762 54.762 56.172 -1.410 25786 8322 1 20 . 1 1 40 40 HIS CB C 40 31.521 31.521 30.840 0.681 25786 8323 1 20 . 1 1 40 40 HIS H H 40 8.158 8.158 7.897 0.261 25786 8324 1 20 . 1 1 41 41 GLU HA H 41 4.029 4.029 4.036 -0.007 25786 8325 1 20 . 1 1 42 42 GLU N N 42 113.813 113.813 119.217 -5.404 25786 8326 1 20 . 1 1 42 42 GLU HA H 42 4.547 4.547 4.303 0.244 25786 8327 1 20 . 1 1 42 42 GLU C C 42 176.680 176.680 176.556 0.124 25786 8328 1 20 . 1 1 42 42 GLU CA C 42 55.313 55.313 56.439 -1.126 25786 8329 1 20 . 1 1 42 42 GLU CB C 42 29.165 29.165 29.243 -0.078 25786 8330 1 20 . 1 1 42 42 GLU H H 42 8.808 8.808 8.367 0.441 25786 8331 1 20 . 1 1 43 43 SER N N 43 118.066 118.066 115.842 2.224 25786 8332 1 20 . 1 1 43 43 SER HA H 43 4.088 4.088 4.381 -0.293 25786 8333 1 20 . 1 1 43 43 SER C C 43 173.663 173.663 173.577 0.086 25786 8334 1 20 . 1 1 43 43 SER CA C 43 60.156 60.156 58.709 1.447 25786 8335 1 20 . 1 1 43 43 SER CB C 43 62.827 62.827 63.993 -1.166 25786 8336 1 20 . 1 1 43 43 SER H H 43 7.485 7.485 8.074 -0.589 25786 8337 1 20 . 1 1 44 44 ASN N N 44 123.218 123.218 121.361 1.857 25786 8338 1 20 . 1 1 44 44 ASN HA H 44 4.392 4.392 4.827 -0.435 25786 8339 1 20 . 1 1 44 44 ASN C C 44 176.926 176.926 176.506 0.420 25786 8340 1 20 . 1 1 44 44 ASN CA C 44 53.987 53.987 53.648 0.339 25786 8341 1 20 . 1 1 44 44 ASN CB C 44 38.433 38.433 38.421 0.012 25786 8342 1 20 . 1 1 44 44 ASN H H 44 8.811 8.811 8.681 0.130 25786 8343 1 20 . 1 1 45 45 LEU N N 45 128.735 128.735 125.897 2.838 25786 8344 1 20 . 1 1 45 45 LEU HA H 45 3.722 3.722 4.057 -0.335 25786 8345 1 20 . 1 1 45 45 LEU C C 45 178.143 178.143 178.518 -0.375 25786 8346 1 20 . 1 1 45 45 LEU CA C 45 57.149 57.149 57.280 -0.131 25786 8347 1 20 . 1 1 45 45 LEU CB C 45 42.250 42.250 41.953 0.297 25786 8348 1 20 . 1 1 45 45 LEU H H 45 9.385 9.385 8.891 0.494 25786 8349 1 20 . 1 1 46 46 ILE N N 46 119.379 119.379 119.874 -0.495 25786 8350 1 20 . 1 1 46 46 ILE HA H 46 4.187 4.187 4.029 0.158 25786 8351 1 20 . 1 1 46 46 ILE C C 46 180.926 180.926 178.955 1.971 25786 8352 1 20 . 1 1 46 46 ILE CA C 46 63.814 63.814 65.100 -1.286 25786 8353 1 20 . 1 1 46 46 ILE CB C 46 36.709 36.709 37.931 -1.222 25786 8354 1 20 . 1 1 46 46 ILE H H 46 7.659 7.659 8.227 -0.568 25786 8355 1 20 . 1 1 47 47 GLN N N 47 121.737 121.737 120.085 1.652 25786 8356 1 20 . 1 1 47 47 GLN HA H 47 3.989 3.989 4.178 -0.189 25786 8357 1 20 . 1 1 47 47 GLN C C 47 177.739 177.739 176.589 1.150 25786 8358 1 20 . 1 1 47 47 GLN CA C 47 58.033 58.033 58.046 -0.013 25786 8359 1 20 . 1 1 47 47 GLN CB C 47 27.985 27.985 28.828 -0.843 25786 8360 1 20 . 1 1 47 47 GLN H H 47 8.161 8.161 8.109 0.052 25786 8361 1 20 . 1 1 48 48 ALA N N 48 117.777 117.777 119.014 -1.237 25786 8362 1 20 . 1 1 48 48 ALA HA H 48 4.260 4.260 4.560 -0.300 25786 8363 1 20 . 1 1 48 48 ALA C C 48 176.582 176.582 177.235 -0.653 25786 8364 1 20 . 1 1 48 48 ALA CA C 48 52.710 52.710 52.326 0.384 25786 8365 1 20 . 1 1 48 48 ALA CB C 48 18.601 18.601 19.847 -1.246 25786 8366 1 20 . 1 1 48 48 ALA H H 48 7.448 7.448 7.726 -0.278 25786 8367 1 20 . 1 1 49 49 GLY N N 49 102.932 102.932 105.491 -2.559 25786 8368 1 20 . 1 1 49 49 GLY C C 49 174.451 174.451 173.876 0.575 25786 8369 1 20 . 1 1 49 49 GLY CA C 49 44.967 44.967 45.095 -0.128 25786 8370 1 20 . 1 1 49 49 GLY H H 49 7.445 7.445 7.635 -0.190 25786 8371 1 20 . 1 1 50 50 LEU N N 50 123.058 123.058 124.674 -1.616 25786 8372 1 20 . 1 1 50 50 LEU HA H 50 4.257 4.257 4.462 -0.204 25786 8373 1 20 . 1 1 50 50 LEU C C 50 173.460 173.460 176.293 -2.833 25786 8374 1 20 . 1 1 50 50 LEU CA C 50 55.909 55.909 54.967 0.942 25786 8375 1 20 . 1 1 50 50 LEU CB C 50 41.454 41.454 42.527 -1.073 25786 8376 1 20 . 1 1 50 50 LEU H H 50 8.545 8.545 8.284 0.261 25786 8377 1 20 . 1 1 54 54 ARG N N 54 121.407 121.407 121.232 0.175 25786 8378 1 20 . 1 1 54 54 ARG HA H 54 4.088 4.088 3.937 0.151 25786 8379 1 20 . 1 1 54 54 ARG C C 54 179.647 179.647 178.104 1.543 25786 8380 1 20 . 1 1 54 54 ARG CA C 54 59.615 59.615 59.695 -0.080 25786 8381 1 20 . 1 1 54 54 ARG CB C 54 30.633 30.633 30.646 -0.013 25786 8382 1 20 . 1 1 54 54 ARG H H 54 8.412 8.412 9.087 -0.675 25786 8383 1 20 . 1 1 55 55 LEU N N 55 121.118 121.118 119.982 1.136 25786 8384 1 20 . 1 1 55 55 LEU HA H 55 4.332 4.332 4.523 -0.191 25786 8385 1 20 . 1 1 55 55 LEU C C 55 178.416 178.416 178.355 0.061 25786 8386 1 20 . 1 1 55 55 LEU CA C 55 59.035 59.035 57.829 1.206 25786 8387 1 20 . 1 1 55 55 LEU CB C 55 41.718 41.718 42.200 -0.482 25786 8388 1 20 . 1 1 55 55 LEU H H 55 9.050 9.050 7.717 1.333 25786 8389 1 20 . 1 1 56 56 MET N N 56 117.969 117.969 118.620 -0.651 25786 8390 1 20 . 1 1 56 56 MET HA H 56 4.284 4.284 4.060 0.224 25786 8391 1 20 . 1 1 56 56 MET C C 56 178.301 178.301 178.263 0.038 25786 8392 1 20 . 1 1 56 56 MET CA C 56 57.927 57.927 58.943 -1.016 25786 8393 1 20 . 1 1 56 56 MET CB C 56 31.317 31.317 31.993 -0.676 25786 8394 1 20 . 1 1 56 56 MET H H 56 7.875 7.875 8.069 -0.194 25786 8395 1 20 . 1 1 57 57 ARG N N 57 119.532 119.532 118.288 1.244 25786 8396 1 20 . 1 1 57 57 ARG HA H 57 4.096 4.096 3.980 0.116 25786 8397 1 20 . 1 1 57 57 ARG C C 57 180.458 180.458 178.599 1.859 25786 8398 1 20 . 1 1 57 57 ARG CA C 57 59.770 59.770 59.819 -0.049 25786 8399 1 20 . 1 1 57 57 ARG CB C 57 29.520 29.520 29.750 -0.230 25786 8400 1 20 . 1 1 57 57 ARG H H 57 7.609 7.609 8.311 -0.702 25786 8401 1 20 . 1 1 58 58 TRP N N 58 121.820 121.820 120.602 1.218 25786 8402 1 20 . 1 1 58 58 TRP HA H 58 4.465 4.465 4.412 0.053 25786 8403 1 20 . 1 1 58 58 TRP C C 58 177.973 177.973 178.518 -0.545 25786 8404 1 20 . 1 1 58 58 TRP CA C 58 61.063 61.063 59.190 1.873 25786 8405 1 20 . 1 1 58 58 TRP CB C 58 28.348 28.348 29.437 -1.089 25786 8406 1 20 . 1 1 58 58 TRP H H 58 8.207 8.207 7.497 0.710 25786 8407 1 20 . 1 1 59 59 LEU N N 59 121.654 121.654 121.289 0.365 25786 8408 1 20 . 1 1 59 59 LEU HA H 59 4.274 4.274 4.239 0.035 25786 8409 1 20 . 1 1 59 59 LEU C C 59 178.823 178.823 178.588 0.235 25786 8410 1 20 . 1 1 59 59 LEU CA C 59 59.044 59.044 57.938 1.105 25786 8411 1 20 . 1 1 59 59 LEU CB C 59 40.851 40.851 41.054 -0.203 25786 8412 1 20 . 1 1 59 59 LEU H H 59 8.599 8.599 8.391 0.208 25786 8413 1 20 . 1 1 60 60 HIS N N 60 116.952 116.952 119.064 -2.112 25786 8414 1 20 . 1 1 60 60 HIS HA H 60 4.389 4.389 4.243 0.146 25786 8415 1 20 . 1 1 60 60 HIS C C 60 177.635 177.635 177.326 0.309 25786 8416 1 20 . 1 1 60 60 HIS CA C 60 59.755 59.755 60.643 -0.888 25786 8417 1 20 . 1 1 60 60 HIS CB C 60 30.083 30.083 30.244 -0.161 25786 8418 1 20 . 1 1 60 60 HIS H H 60 7.909 7.909 8.534 -0.625 25786 8419 1 20 . 1 1 61 61 TRP N N 61 123.194 123.194 121.880 1.314 25786 8420 1 20 . 1 1 61 61 TRP HA H 61 4.032 4.032 4.181 -0.149 25786 8421 1 20 . 1 1 61 61 TRP C C 61 179.298 179.298 178.349 0.949 25786 8422 1 20 . 1 1 61 61 TRP CA C 61 62.541 62.541 61.490 1.051 25786 8423 1 20 . 1 1 61 61 TRP CB C 61 28.839 28.839 29.153 -0.314 25786 8424 1 20 . 1 1 61 61 TRP H H 61 8.142 8.142 8.014 0.128 25786 8425 1 20 . 1 1 62 62 PHE N N 62 120.038 120.038 118.000 2.038 25786 8426 1 20 . 1 1 62 62 PHE HA H 62 4.205 4.205 3.888 0.317 25786 8427 1 20 . 1 1 62 62 PHE C C 62 179.080 179.080 178.654 0.426 25786 8428 1 20 . 1 1 62 62 PHE CA C 62 63.629 63.629 62.024 1.605 25786 8429 1 20 . 1 1 62 62 PHE CB C 62 38.664 38.664 38.324 0.340 25786 8430 1 20 . 1 1 62 62 PHE H H 62 9.447 9.447 8.776 0.671 25786 8431 1 20 . 1 1 63 63 ARG N N 63 118.560 118.560 118.649 -0.089 25786 8432 1 20 . 1 1 63 63 ARG HA H 63 4.258 4.258 4.371 -0.113 25786 8433 1 20 . 1 1 63 63 ARG C C 63 181.328 181.328 179.345 1.983 25786 8434 1 20 . 1 1 63 63 ARG CA C 63 59.257 59.257 58.981 0.276 25786 8435 1 20 . 1 1 63 63 ARG CB C 63 29.697 29.697 30.035 -0.338 25786 8436 1 20 . 1 1 63 63 ARG H H 63 8.665 8.665 8.743 -0.078 25786 8437 1 20 . 1 1 64 64 LYS N N 64 122.759 122.759 119.536 3.223 25786 8438 1 20 . 1 1 64 64 LYS HA H 64 4.019 4.019 4.080 -0.061 25786 8439 1 20 . 1 1 64 64 LYS C C 64 177.595 177.595 177.057 0.538 25786 8440 1 20 . 1 1 64 64 LYS CA C 64 58.651 58.651 58.355 0.297 25786 8441 1 20 . 1 1 64 64 LYS CB C 64 31.510 31.510 32.160 -0.650 25786 8442 1 20 . 1 1 64 64 LYS H H 64 8.690 8.690 7.694 0.996 25786 8443 1 20 . 1 1 65 65 ASN N N 65 115.681 115.681 115.377 0.304 25786 8444 1 20 . 1 1 65 65 ASN HA H 65 4.532 4.532 4.729 -0.197 25786 8445 1 20 . 1 1 65 65 ASN C C 65 173.405 173.405 174.884 -1.479 25786 8446 1 20 . 1 1 65 65 ASN CA C 65 53.685 53.685 51.932 1.753 25786 8447 1 20 . 1 1 65 65 ASN CB C 65 39.038 39.038 38.714 0.324 25786 8448 1 20 . 1 1 65 65 ASN H H 65 7.246 7.246 7.636 -0.390 25786 8449 1 20 . 1 1 66 66 GLY N N 66 105.186 105.186 105.561 -0.375 25786 8450 1 20 . 1 1 66 66 GLY C C 66 173.869 173.869 173.760 0.109 25786 8451 1 20 . 1 1 66 66 GLY CA C 66 45.539 45.539 44.959 0.581 25786 8452 1 20 . 1 1 66 66 GLY H H 66 7.603 7.603 7.698 -0.095 25786 8453 1 20 . 1 1 67 67 TYR N N 67 119.699 119.699 121.247 -1.548 25786 8454 1 20 . 1 1 67 67 TYR HA H 67 4.542 4.542 4.416 0.126 25786 8455 1 20 . 1 1 67 67 TYR C C 67 175.838 175.838 176.011 -0.173 25786 8456 1 20 . 1 1 67 67 TYR CA C 67 57.858 57.858 58.167 -0.309 25786 8457 1 20 . 1 1 67 67 TYR CB C 67 38.564 38.564 38.171 0.393 25786 8458 1 20 . 1 1 67 67 TYR H H 67 8.248 8.248 8.222 0.026 25786 8459 1 20 . 1 1 68 68 ARG N N 68 125.588 125.588 126.985 -1.397 25786 8460 1 20 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.398 -0.009 25786 8461 1 20 . 1 1 68 68 ARG C C 68 174.479 174.479 175.104 -0.625 25786 8462 1 20 . 1 1 68 68 ARG CA C 68 55.649 55.649 55.735 -0.086 25786 8463 1 20 . 1 1 68 68 ARG CB C 68 28.357 28.357 28.494 -0.137 25786 8464 1 20 . 1 1 68 68 ARG H H 68 8.550 8.550 8.955 -0.405 25786 8465 1 20 . 1 1 69 69 LEU N N 69 122.034 122.034 121.208 0.826 25786 8466 1 20 . 1 1 69 69 LEU HA H 69 4.711 4.711 4.547 0.164 25786 8467 1 20 . 1 1 69 69 LEU C C 69 175.630 175.630 176.280 -0.650 25786 8468 1 20 . 1 1 69 69 LEU CA C 69 53.367 53.367 53.743 -0.376 25786 8469 1 20 . 1 1 69 69 LEU CB C 69 44.286 44.286 44.330 -0.044 25786 8470 1 20 . 1 1 69 69 LEU H H 69 7.421 7.421 8.027 -0.606 25786 8471 1 20 . 1 1 70 70 THR N N 70 109.789 109.789 116.710 -6.921 25786 8472 1 20 . 1 1 70 70 THR HA H 70 4.721 4.721 4.604 0.117 25786 8473 1 20 . 1 1 70 70 THR C C 70 174.636 174.636 174.553 0.083 25786 8474 1 20 . 1 1 70 70 THR CA C 70 59.377 59.377 61.442 -2.065 25786 8475 1 20 . 1 1 70 70 THR CB C 70 72.180 72.180 70.141 2.039 25786 8476 1 20 . 1 1 70 70 THR H H 70 8.163 8.163 8.998 -0.835 25786 8477 1 20 . 1 1 71 71 LEU N N 71 122.563 122.563 126.894 -4.331 25786 8478 1 20 . 1 1 71 71 LEU HA H 71 3.885 3.885 3.995 -0.110 25786 8479 1 20 . 1 1 71 71 LEU C C 71 178.632 178.632 178.089 0.543 25786 8480 1 20 . 1 1 71 71 LEU CA C 71 58.196 58.196 58.000 0.196 25786 8481 1 20 . 1 1 71 71 LEU CB C 71 41.940 41.940 42.372 -0.432 25786 8482 1 20 . 1 1 71 71 LEU H H 71 8.825 8.825 8.799 0.026 25786 8483 1 20 . 1 1 72 72 ARG N N 72 115.949 115.949 118.153 -2.204 25786 8484 1 20 . 1 1 72 72 ARG HA H 72 3.876 3.876 4.198 -0.322 25786 8485 1 20 . 1 1 72 72 ARG C C 72 178.893 178.893 178.273 0.620 25786 8486 1 20 . 1 1 72 72 ARG CA C 72 59.147 59.147 59.136 0.011 25786 8487 1 20 . 1 1 72 72 ARG CB C 72 29.631 29.631 29.899 -0.268 25786 8488 1 20 . 1 1 72 72 ARG H H 72 8.244 8.244 8.611 -0.367 25786 8489 1 20 . 1 1 73 73 GLU N N 73 117.665 117.665 119.885 -2.220 25786 8490 1 20 . 1 1 73 73 GLU HA H 73 3.951 3.951 4.028 -0.077 25786 8491 1 20 . 1 1 73 73 GLU C C 73 178.762 178.762 179.021 -0.259 25786 8492 1 20 . 1 1 73 73 GLU CA C 73 59.092 59.092 59.285 -0.193 25786 8493 1 20 . 1 1 73 73 GLU CB C 73 29.739 29.739 29.314 0.425 25786 8494 1 20 . 1 1 73 73 GLU H H 73 7.461 7.461 7.549 -0.088 25786 8495 1 20 . 1 1 74 74 LEU N N 74 117.724 117.724 118.777 -1.053 25786 8496 1 20 . 1 1 74 74 LEU HA H 74 3.898 3.898 4.285 -0.387 25786 8497 1 20 . 1 1 74 74 LEU C C 74 179.355 179.355 179.549 -0.194 25786 8498 1 20 . 1 1 74 74 LEU CA C 74 57.469 57.469 57.530 -0.061 25786 8499 1 20 . 1 1 74 74 LEU CB C 74 41.619 41.619 41.421 0.198 25786 8500 1 20 . 1 1 74 74 LEU H H 74 7.413 7.413 7.421 -0.008 25786 8501 1 20 . 1 1 75 75 TYR N N 75 114.976 114.976 116.433 -1.457 25786 8502 1 20 . 1 1 75 75 TYR HA H 75 4.054 4.054 4.468 -0.414 25786 8503 1 20 . 1 1 75 75 TYR C C 75 176.656 176.656 177.202 -0.546 25786 8504 1 20 . 1 1 75 75 TYR CA C 75 60.638 60.638 59.512 1.126 25786 8505 1 20 . 1 1 75 75 TYR CB C 75 39.688 39.688 37.983 1.705 25786 8506 1 20 . 1 1 75 75 TYR H H 75 8.086 8.086 7.611 0.475 25786 8507 1 20 . 1 1 76 76 ALA N N 76 119.116 119.116 121.072 -1.956 25786 8508 1 20 . 1 1 76 76 ALA HA H 76 4.052 4.052 4.439 -0.387 25786 8509 1 20 . 1 1 76 76 ALA C C 76 178.156 178.156 177.076 1.080 25786 8510 1 20 . 1 1 76 76 ALA CA C 76 54.468 54.468 52.941 1.527 25786 8511 1 20 . 1 1 76 76 ALA CB C 76 18.535 18.535 20.039 -1.504 25786 8512 1 20 . 1 1 76 76 ALA H H 76 7.776 7.776 7.560 0.216 25786 8513 1 20 . 1 1 77 77 ALA N N 77 116.862 116.862 121.466 -4.604 25786 8514 1 20 . 1 1 77 77 ALA C C 77 173.737 173.737 174.499 -0.762 25786 8515 1 20 . 1 1 77 77 ALA CA C 77 49.713 49.713 49.562 0.152 25786 8516 1 20 . 1 1 77 77 ALA CB C 77 19.226 19.226 19.683 -0.457 25786 8517 1 20 . 1 1 77 77 ALA H H 77 6.706 6.706 7.961 -1.255 25786 8518 1 20 . 1 1 78 78 PRO HA H 78 5.018 5.018 5.031 -0.013 25786 8519 1 20 . 1 1 78 78 PRO CA C 78 61.523 61.523 62.450 -0.927 25786 8520 1 20 . 1 1 78 78 PRO CB C 78 28.845 28.845 30.459 -1.614 25786 8521 1 20 . 1 1 79 79 THR N N 79 111.947 111.947 113.106 -1.159 25786 8522 1 20 . 1 1 79 79 THR HA H 79 4.396 4.396 4.675 -0.279 25786 8523 1 20 . 1 1 79 79 THR C C 79 173.000 173.000 174.691 -1.691 25786 8524 1 20 . 1 1 79 79 THR CA C 79 58.059 58.059 59.721 -1.663 25786 8525 1 20 . 1 1 79 79 THR CB C 79 72.247 72.247 72.357 -0.110 25786 8526 1 20 . 1 1 79 79 THR H H 79 7.664 7.664 7.128 0.536 25786 8527 1 20 . 1 1 80 80 LEU N N 80 123.227 123.227 125.512 -2.285 25786 8528 1 20 . 1 1 80 80 LEU HA H 80 3.747 3.747 3.800 -0.053 25786 8529 1 20 . 1 1 80 80 LEU C C 80 179.028 179.028 177.997 1.031 25786 8530 1 20 . 1 1 80 80 LEU CA C 80 58.209 58.209 58.697 -0.488 25786 8531 1 20 . 1 1 80 80 LEU CB C 80 41.579 41.579 41.564 0.015 25786 8532 1 20 . 1 1 80 80 LEU H H 80 9.609 9.609 8.382 1.227 25786 8533 1 20 . 1 1 81 81 ALA N N 81 119.663 119.663 121.118 -1.455 25786 8534 1 20 . 1 1 81 81 ALA HA H 81 4.141 4.141 4.046 0.095 25786 8535 1 20 . 1 1 81 81 ALA C C 81 181.038 181.038 179.279 1.759 25786 8536 1 20 . 1 1 81 81 ALA CA C 81 54.876 54.876 55.098 -0.222 25786 8537 1 20 . 1 1 81 81 ALA CB C 81 18.428 18.428 18.181 0.247 25786 8538 1 20 . 1 1 81 81 ALA H H 81 8.831 8.831 8.138 0.693 25786 8539 1 20 . 1 1 82 82 ALA N N 82 122.181 122.181 120.891 1.290 25786 8540 1 20 . 1 1 82 82 ALA HA H 82 4.225 4.225 4.213 0.012 25786 8541 1 20 . 1 1 82 82 ALA C C 82 181.868 181.868 179.601 2.267 25786 8542 1 20 . 1 1 82 82 ALA CA C 82 54.808 54.808 54.237 0.571 25786 8543 1 20 . 1 1 82 82 ALA CB C 82 19.088 19.088 18.642 0.446 25786 8544 1 20 . 1 1 82 82 ALA H H 82 8.272 8.272 7.469 0.803 25786 8545 1 20 . 1 1 83 83 TRP N N 83 123.399 123.399 119.378 4.021 25786 8546 1 20 . 1 1 83 83 TRP HA H 83 4.543 4.543 4.293 0.250 25786 8547 1 20 . 1 1 83 83 TRP C C 83 178.633 178.633 178.704 -0.071 25786 8548 1 20 . 1 1 83 83 TRP CA C 83 59.562 59.562 59.090 0.472 25786 8549 1 20 . 1 1 83 83 TRP CB C 83 28.301 28.301 28.447 -0.146 25786 8550 1 20 . 1 1 83 83 TRP H H 83 9.378 9.378 8.271 1.107 25786 8551 1 20 . 1 1 84 84 ASN N N 84 118.250 118.250 117.917 0.333 25786 8552 1 20 . 1 1 84 84 ASN HA H 84 4.616 4.616 4.164 0.452 25786 8553 1 20 . 1 1 84 84 ASN C C 84 177.231 177.231 177.621 -0.390 25786 8554 1 20 . 1 1 84 84 ASN CA C 84 57.096 57.096 56.510 0.586 25786 8555 1 20 . 1 1 84 84 ASN CB C 84 39.229 39.229 37.635 1.594 25786 8556 1 20 . 1 1 84 84 ASN H H 84 9.136 9.136 8.789 0.347 25786 8557 1 20 . 1 1 85 85 GLN N N 85 116.261 116.261 119.946 -3.685 25786 8558 1 20 . 1 1 85 85 GLN HA H 85 4.011 4.011 4.038 -0.027 25786 8559 1 20 . 1 1 85 85 GLN C C 85 179.455 179.455 178.544 0.911 25786 8560 1 20 . 1 1 85 85 GLN CA C 85 58.748 58.748 59.050 -0.302 25786 8561 1 20 . 1 1 85 85 GLN CB C 85 27.840 27.840 28.668 -0.828 25786 8562 1 20 . 1 1 85 85 GLN H H 85 7.511 7.511 7.398 0.113 25786 8563 1 20 . 1 1 86 86 LEU N N 86 121.554 121.554 118.886 2.668 25786 8564 1 20 . 1 1 86 86 LEU HA H 86 4.041 4.041 3.925 0.116 25786 8565 1 20 . 1 1 86 86 LEU C C 86 179.171 179.171 179.311 -0.140 25786 8566 1 20 . 1 1 86 86 LEU CA C 86 57.804 57.804 57.701 0.103 25786 8567 1 20 . 1 1 86 86 LEU CB C 86 41.915 41.915 41.532 0.383 25786 8568 1 20 . 1 1 86 86 LEU H H 86 8.172 8.172 8.292 -0.120 25786 8569 1 20 . 1 1 87 87 MET N N 87 117.874 117.874 117.720 0.154 25786 8570 1 20 . 1 1 87 87 MET HA H 87 3.752 3.752 4.075 -0.323 25786 8571 1 20 . 1 1 87 87 MET C C 87 178.221 178.221 178.932 -0.711 25786 8572 1 20 . 1 1 87 87 MET CA C 87 59.481 59.481 58.920 0.561 25786 8573 1 20 . 1 1 87 87 MET CB C 87 34.875 34.875 32.800 2.075 25786 8574 1 20 . 1 1 87 87 MET H H 87 8.197 8.197 7.668 0.529 25786 8575 1 20 . 1 1 88 88 LEU N N 88 117.598 117.598 122.153 -4.555 25786 8576 1 20 . 1 1 88 88 LEU HA H 88 4.054 4.054 4.643 -0.589 25786 8577 1 20 . 1 1 88 88 LEU C C 88 179.237 179.237 178.634 0.603 25786 8578 1 20 . 1 1 88 88 LEU CA C 88 57.076 57.076 57.108 -0.032 25786 8579 1 20 . 1 1 88 88 LEU CB C 88 42.395 42.395 42.259 0.136 25786 8580 1 20 . 1 1 88 88 LEU H H 88 7.902 7.902 8.148 -0.246 25786 8581 1 20 . 1 1 89 89 SER N N 89 113.195 113.195 113.681 -0.486 25786 8582 1 20 . 1 1 89 89 SER HA H 89 4.038 4.038 4.314 -0.276 25786 8583 1 20 . 1 1 89 89 SER C C 89 175.090 175.090 175.826 -0.736 25786 8584 1 20 . 1 1 89 89 SER CA C 89 59.901 59.901 60.685 -0.784 25786 8585 1 20 . 1 1 89 89 SER CB C 89 63.834 63.834 62.649 1.185 25786 8586 1 20 . 1 1 89 89 SER H H 89 7.958 7.958 8.419 -0.461 25786 8587 1 20 . 1 1 90 90 ARG N N 90 122.031 122.031 120.728 1.303 25786 8588 1 20 . 1 1 90 90 ARG HA H 90 4.701 4.701 4.149 0.552 25786 8589 1 20 . 1 1 90 90 ARG C C 90 175.695 175.695 176.267 -0.572 25786 8590 1 20 . 1 1 90 90 ARG CA C 90 53.905 53.905 57.398 -3.493 25786 8591 1 20 . 1 1 90 90 ARG CB C 90 29.631 29.631 30.598 -0.967 25786 8592 1 20 . 1 1 90 90 ARG H H 90 7.923 7.923 7.409 0.514 25786 8593 1 20 . 1 1 91 91 SER N N 91 117.191 117.191 113.521 3.670 25786 8594 1 20 . 1 1 91 91 SER C C 91 172.914 172.914 171.876 1.038 25786 8595 1 20 . 1 1 91 91 SER CA C 91 57.104 57.104 56.211 0.893 25786 8596 1 20 . 1 1 91 91 SER CB C 91 63.437 63.437 64.740 -1.303 25786 8597 1 20 . 1 1 91 91 SER H H 91 7.752 7.752 7.921 -0.169 25786 8598 1 20 . 1 1 92 92 PRO HA H 92 4.420 4.420 4.864 -0.444 25786 8599 1 20 . 1 1 92 92 PRO CA C 92 63.414 63.414 62.234 1.180 25786 8600 1 20 . 1 1 92 92 PRO CB C 92 31.895 31.895 33.064 -1.169 25786 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 71 2.168 0.512 2.121 25786 2 1 1 "Average Difference" HA 75 0.259 0.058 0.255 25786 3 1 1 "Average Difference" C 71 0.996 -0.164 0.990 25786 4 1 1 "Average Difference" CA 74 0.809 -0.205 0.788 25786 5 1 1 "Average Difference" CB 72 0.792 0.049 0.796 25786 6 1 1 "Average Difference" HN 71 0.529 -0.074 0.528 25786 7 1 2 "Average Difference" N 71 2.389 0.308 2.386 25786 8 1 2 "Average Difference" HA 75 0.231 0.044 0.228 25786 9 1 2 "Average Difference" C 71 0.945 -0.177 0.935 25786 10 1 2 "Average Difference" CA 74 0.799 -0.193 0.780 25786 11 1 2 "Average Difference" CB 72 0.866 0.064 0.869 25786 12 1 2 "Average Difference" HN 71 0.566 -0.047 0.568 25786 13 1 3 "Average Difference" N 71 1.881 0.483 1.830 25786 14 1 3 "Average Difference" HA 75 0.235 0.006 0.236 25786 15 1 3 "Average Difference" C 71 0.955 -0.109 0.955 25786 16 1 3 "Average Difference" CA 74 0.843 -0.108 0.842 25786 17 1 3 "Average Difference" CB 72 0.801 -0.012 0.806 25786 18 1 3 "Average Difference" HN 71 0.469 -0.010 0.472 25786 19 1 4 "Average Difference" N 71 2.308 0.202 2.316 25786 20 1 4 "Average Difference" HA 75 0.273 0.051 0.270 25786 21 1 4 "Average Difference" C 71 1.022 -0.170 1.015 25786 22 1 4 "Average Difference" CA 74 0.951 -0.239 0.927 25786 23 1 4 "Average Difference" CB 72 0.977 0.117 0.976 25786 24 1 4 "Average Difference" HN 71 0.559 -0.093 0.555 25786 25 1 5 "Average Difference" N 71 2.295 0.296 2.292 25786 26 1 5 "Average Difference" HA 75 0.254 0.029 0.254 25786 27 1 5 "Average Difference" C 71 1.009 -0.166 1.003 25786 28 1 5 "Average Difference" CA 74 1.084 -0.141 1.083 25786 29 1 5 "Average Difference" CB 72 0.832 -0.004 0.838 25786 30 1 5 "Average Difference" HN 71 0.530 -0.061 0.530 25786 31 1 6 "Average Difference" N 71 2.334 0.106 2.348 25786 32 1 6 "Average Difference" HA 75 0.253 0.046 0.250 25786 33 1 6 "Average Difference" C 71 1.026 -0.139 1.024 25786 34 1 6 "Average Difference" CA 74 1.027 -0.231 1.008 25786 35 1 6 "Average Difference" CB 72 0.855 -0.018 0.861 25786 36 1 6 "Average Difference" HN 71 0.543 -0.119 0.534 25786 37 1 7 "Average Difference" N 71 2.354 0.048 2.370 25786 38 1 7 "Average Difference" HA 75 0.274 0.025 0.275 25786 39 1 7 "Average Difference" C 71 1.027 -0.138 1.025 25786 40 1 7 "Average Difference" CA 74 1.084 -0.119 1.085 25786 41 1 7 "Average Difference" CB 72 0.872 0.028 0.877 25786 42 1 7 "Average Difference" HN 71 0.524 -0.113 0.515 25786 43 1 8 "Average Difference" N 71 2.349 0.355 2.338 25786 44 1 8 "Average Difference" HA 75 0.245 0.031 0.245 25786 45 1 8 "Average Difference" C 71 0.978 -0.160 0.972 25786 46 1 8 "Average Difference" CA 74 0.810 -0.184 0.794 25786 47 1 8 "Average Difference" CB 72 0.873 0.018 0.879 25786 48 1 8 "Average Difference" HN 71 0.487 -0.025 0.490 25786 49 1 9 "Average Difference" N 71 2.218 0.275 2.217 25786 50 1 9 "Average Difference" HA 75 0.253 0.046 0.251 25786 51 1 9 "Average Difference" C 71 0.955 -0.154 0.949 25786 52 1 9 "Average Difference" CA 74 0.830 -0.213 0.808 25786 53 1 9 "Average Difference" CB 72 0.883 0.095 0.885 25786 54 1 9 "Average Difference" HN 71 0.520 -0.064 0.519 25786 55 1 10 "Average Difference" N 71 2.064 0.282 2.059 25786 56 1 10 "Average Difference" HA 75 0.266 0.064 0.259 25786 57 1 10 "Average Difference" C 71 0.948 -0.184 0.936 25786 58 1 10 "Average Difference" CA 74 0.888 -0.251 0.858 25786 59 1 10 "Average Difference" CB 72 0.835 0.123 0.832 25786 60 1 10 "Average Difference" HN 71 0.556 -0.059 0.557 25786 61 1 11 "Average Difference" N 71 2.173 0.478 2.135 25786 62 1 11 "Average Difference" HA 75 0.286 0.036 0.286 25786 63 1 11 "Average Difference" C 71 0.937 -0.197 0.923 25786 64 1 11 "Average Difference" CA 74 0.920 -0.253 0.891 25786 65 1 11 "Average Difference" CB 72 0.943 0.088 0.945 25786 66 1 11 "Average Difference" HN 71 0.583 -0.095 0.580 25786 67 1 12 "Average Difference" N 71 2.326 0.332 2.318 25786 68 1 12 "Average Difference" HA 75 0.261 0.042 0.259 25786 69 1 12 "Average Difference" C 71 0.961 -0.130 0.959 25786 70 1 12 "Average Difference" CA 74 1.055 -0.081 1.059 25786 71 1 12 "Average Difference" CB 72 1.017 0.118 1.018 25786 72 1 12 "Average Difference" HN 71 0.526 -0.087 0.523 25786 73 1 13 "Average Difference" N 71 2.154 0.472 2.116 25786 74 1 13 "Average Difference" HA 75 0.248 0.033 0.248 25786 75 1 13 "Average Difference" C 71 0.905 -0.182 0.892 25786 76 1 13 "Average Difference" CA 74 0.868 -0.169 0.857 25786 77 1 13 "Average Difference" CB 72 0.911 0.082 0.914 25786 78 1 13 "Average Difference" HN 71 0.543 -0.058 0.544 25786 79 1 14 "Average Difference" N 71 2.312 0.301 2.308 25786 80 1 14 "Average Difference" HA 75 0.234 0.030 0.234 25786 81 1 14 "Average Difference" C 71 1.007 -0.261 0.979 25786 82 1 14 "Average Difference" CA 74 0.957 -0.238 0.933 25786 83 1 14 "Average Difference" CB 72 0.901 0.086 0.903 25786 84 1 14 "Average Difference" HN 71 0.580 -0.101 0.575 25786 85 1 15 "Average Difference" N 71 2.584 0.279 2.587 25786 86 1 15 "Average Difference" HA 75 0.268 0.044 0.266 25786 87 1 15 "Average Difference" C 71 0.934 -0.219 0.915 25786 88 1 15 "Average Difference" CA 74 1.003 -0.333 0.952 25786 89 1 15 "Average Difference" CB 72 0.915 0.107 0.915 25786 90 1 15 "Average Difference" HN 71 0.543 -0.019 0.546 25786 91 1 16 "Average Difference" N 71 2.613 0.282 2.616 25786 92 1 16 "Average Difference" HA 75 0.284 0.013 0.285 25786 93 1 16 "Average Difference" C 71 1.062 -0.255 1.038 25786 94 1 16 "Average Difference" CA 74 1.010 -0.281 0.977 25786 95 1 16 "Average Difference" CB 72 1.057 0.140 1.055 25786 96 1 16 "Average Difference" HN 71 0.619 -0.110 0.613 25786 97 1 17 "Average Difference" N 71 2.119 0.209 2.124 25786 98 1 17 "Average Difference" HA 75 0.244 0.044 0.242 25786 99 1 17 "Average Difference" C 71 1.046 -0.266 1.019 25786 100 1 17 "Average Difference" CA 74 0.885 -0.314 0.833 25786 101 1 17 "Average Difference" CB 72 0.907 0.144 0.902 25786 102 1 17 "Average Difference" HN 71 0.489 -0.106 0.480 25786 103 1 18 "Average Difference" N 71 2.191 0.225 2.195 25786 104 1 18 "Average Difference" HA 75 0.264 0.057 0.259 25786 105 1 18 "Average Difference" C 71 1.018 -0.255 0.993 25786 106 1 18 "Average Difference" CA 74 0.808 -0.261 0.770 25786 107 1 18 "Average Difference" CB 72 0.957 0.107 0.957 25786 108 1 18 "Average Difference" HN 71 0.517 -0.094 0.512 25786 109 1 19 "Average Difference" N 71 2.203 0.361 2.188 25786 110 1 19 "Average Difference" HA 75 0.223 0.017 0.224 25786 111 1 19 "Average Difference" C 71 1.019 -0.156 1.014 25786 112 1 19 "Average Difference" CA 74 1.067 -0.182 1.058 25786 113 1 19 "Average Difference" CB 72 0.871 0.042 0.876 25786 114 1 19 "Average Difference" HN 71 0.595 -0.109 0.589 25786 115 1 20 "Average Difference" N 71 2.198 0.323 2.189 25786 116 1 20 "Average Difference" HA 75 0.247 0.015 0.249 25786 117 1 20 "Average Difference" C 71 0.970 -0.066 0.975 25786 118 1 20 "Average Difference" CA 74 0.932 -0.067 0.936 25786 119 1 20 "Average Difference" CB 72 0.812 0.035 0.817 25786 120 1 20 "Average Difference" HN 71 0.528 -0.071 0.527 25786 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 25786 _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 15 15 ASN N N 15 119.857 119.857 118.418 1.439 25786 2 1 . 1 1 15 15 ASN HA H 15 4.719 4.719 4.712 0.007 25786 3 1 . 1 1 15 15 ASN C C 15 175.735 175.735 175.194 0.541 25786 4 1 . 1 1 15 15 ASN CA C 15 53.556 53.556 53.818 -0.262 25786 5 1 . 1 1 15 15 ASN CB C 15 38.731 38.731 39.027 -0.296 25786 6 1 . 1 1 15 15 ASN H H 15 8.425 8.425 8.478 -0.053 25786 7 1 . 1 1 16 16 ARG N N 16 122.030 122.030 119.211 2.819 25786 8 1 . 1 1 16 16 ARG HA H 16 4.211 4.211 4.190 0.021 25786 9 1 . 1 1 16 16 ARG C C 16 176.669 176.669 177.665 -0.996 25786 10 1 . 1 1 16 16 ARG CA C 16 57.735 57.735 57.234 0.501 25786 11 1 . 1 1 16 16 ARG CB C 16 30.224 30.224 29.978 0.246 25786 12 1 . 1 1 16 16 ARG H H 16 8.347 8.347 8.265 0.082 25786 13 1 . 1 1 17 17 HIS N N 17 118.590 118.590 120.128 -1.538 25786 14 1 . 1 1 17 17 HIS HA H 17 4.563 4.563 4.474 0.089 25786 15 1 . 1 1 17 17 HIS C C 17 176.284 176.284 177.186 -0.902 25786 16 1 . 1 1 17 17 HIS CA C 17 58.394 58.394 59.093 -0.699 25786 17 1 . 1 1 17 17 HIS CB C 17 30.362 30.362 29.804 0.558 25786 18 1 . 1 1 17 17 HIS H H 17 8.395 8.395 8.591 -0.196 25786 19 1 . 1 1 18 18 ALA N N 18 122.047 122.047 121.880 0.167 25786 20 1 . 1 1 18 18 ALA HA H 18 4.182 4.182 4.263 -0.081 25786 21 1 . 1 1 18 18 ALA C C 18 180.003 180.003 178.554 1.449 25786 22 1 . 1 1 18 18 ALA CA C 18 54.294 54.294 54.247 0.047 25786 23 1 . 1 1 18 18 ALA CB C 18 18.849 18.849 17.983 0.866 25786 24 1 . 1 1 18 18 ALA H H 18 8.436 8.436 8.453 -0.017 25786 25 1 . 1 1 19 19 ALA N N 19 122.607 122.607 120.950 1.657 25786 26 1 . 1 1 19 19 ALA HA H 19 4.275 4.275 4.166 0.109 25786 27 1 . 1 1 19 19 ALA C C 19 180.295 180.295 179.203 1.092 25786 28 1 . 1 1 19 19 ALA CA C 19 55.040 55.040 54.544 0.496 25786 29 1 . 1 1 19 19 ALA CB C 19 18.267 18.267 18.601 -0.334 25786 30 1 . 1 1 19 19 ALA H H 19 8.402 8.402 8.023 0.379 25786 31 1 . 1 1 20 20 ASP N N 20 118.796 118.796 119.113 -0.317 25786 32 1 . 1 1 20 20 ASP HA H 20 4.837 4.837 4.612 0.225 25786 33 1 . 1 1 20 20 ASP C C 20 177.313 177.313 177.655 -0.342 25786 34 1 . 1 1 20 20 ASP CA C 20 56.725 56.725 56.663 0.062 25786 35 1 . 1 1 20 20 ASP CB C 20 40.189 40.189 40.916 -0.727 25786 36 1 . 1 1 20 20 ASP H H 20 8.317 8.317 8.363 -0.046 25786 37 1 . 1 1 21 21 TYR N N 21 120.958 120.958 120.516 0.442 25786 38 1 . 1 1 21 21 TYR HA H 21 4.058 4.058 4.322 -0.264 25786 39 1 . 1 1 21 21 TYR C C 21 176.282 176.282 177.236 -0.954 25786 40 1 . 1 1 21 21 TYR CA C 21 61.892 61.892 61.204 0.688 25786 41 1 . 1 1 21 21 TYR CB C 21 38.655 38.655 38.322 0.333 25786 42 1 . 1 1 21 21 TYR H H 21 8.679 8.679 7.827 0.852 25786 43 1 . 1 1 22 22 GLN N N 22 117.715 117.715 118.506 -0.790 25786 44 1 . 1 1 22 22 GLN HA H 22 3.826 3.826 3.778 0.048 25786 45 1 . 1 1 22 22 GLN C C 22 178.197 178.197 178.123 0.074 25786 46 1 . 1 1 22 22 GLN CA C 22 59.110 59.110 59.193 -0.083 25786 47 1 . 1 1 22 22 GLN CB C 22 27.430 27.430 27.883 -0.453 25786 48 1 . 1 1 22 22 GLN H H 22 8.236 8.236 7.916 0.320 25786 49 1 . 1 1 23 23 GLN N N 23 118.526 118.526 118.804 -0.278 25786 50 1 . 1 1 23 23 GLN HA H 23 4.100 4.100 4.142 -0.042 25786 51 1 . 1 1 23 23 GLN C C 23 177.521 177.521 178.661 -1.140 25786 52 1 . 1 1 23 23 GLN CA C 23 58.915 58.915 58.614 0.301 25786 53 1 . 1 1 23 23 GLN CB C 23 29.032 29.032 28.177 0.854 25786 54 1 . 1 1 23 23 GLN H H 23 8.003 8.003 7.893 0.110 25786 55 1 . 1 1 24 24 LEU N N 24 121.914 121.914 121.451 0.463 25786 56 1 . 1 1 24 24 LEU HA H 24 3.444 3.444 3.259 0.185 25786 57 1 . 1 1 24 24 LEU C C 24 176.882 176.882 178.036 -1.154 25786 58 1 . 1 1 24 24 LEU CA C 24 58.115 58.115 57.727 0.388 25786 59 1 . 1 1 24 24 LEU CB C 24 41.704 41.704 41.468 0.236 25786 60 1 . 1 1 24 24 LEU H H 24 8.031 8.031 7.986 0.045 25786 61 1 . 1 1 25 25 ARG N N 25 116.645 116.645 118.757 -2.112 25786 62 1 . 1 1 25 25 ARG HA H 25 3.395 3.395 3.639 -0.244 25786 63 1 . 1 1 25 25 ARG C C 25 177.469 177.469 178.285 -0.816 25786 64 1 . 1 1 25 25 ARG CA C 25 60.246 60.246 59.736 0.510 25786 65 1 . 1 1 25 25 ARG CB C 25 29.925 29.925 29.871 0.055 25786 66 1 . 1 1 25 25 ARG H H 25 7.981 7.981 8.130 -0.149 25786 67 1 . 1 1 26 26 GLU N N 26 115.943 115.943 118.734 -2.791 25786 68 1 . 1 1 26 26 GLU HA H 26 3.832 3.832 3.943 -0.111 25786 69 1 . 1 1 26 26 GLU C C 26 179.682 179.682 179.052 0.630 25786 70 1 . 1 1 26 26 GLU CA C 26 59.517 59.517 59.444 0.072 25786 71 1 . 1 1 26 26 GLU CB C 26 29.439 29.439 29.335 0.104 25786 72 1 . 1 1 26 26 GLU H H 26 8.160 8.160 8.198 -0.038 25786 73 1 . 1 1 27 27 ARG N N 27 118.766 118.766 119.846 -1.080 25786 74 1 . 1 1 27 27 ARG HA H 27 4.144 4.144 4.168 -0.024 25786 75 1 . 1 1 27 27 ARG C C 27 179.241 179.241 178.686 0.555 25786 76 1 . 1 1 27 27 ARG CA C 27 58.855 58.855 58.434 0.421 25786 77 1 . 1 1 27 27 ARG CB C 27 29.996 29.996 30.014 -0.018 25786 78 1 . 1 1 27 27 ARG H H 27 8.283 8.283 7.804 0.479 25786 79 1 . 1 1 28 28 LEU N N 28 122.077 122.077 120.749 1.328 25786 80 1 . 1 1 28 28 LEU HA H 28 4.106 4.106 4.004 0.102 25786 81 1 . 1 1 28 28 LEU C C 28 178.766 178.766 178.961 -0.195 25786 82 1 . 1 1 28 28 LEU CA C 28 58.558 58.558 58.029 0.529 25786 83 1 . 1 1 28 28 LEU CB C 28 42.514 42.514 41.556 0.958 25786 84 1 . 1 1 28 28 LEU H H 28 8.389 8.389 8.092 0.297 25786 85 1 . 1 1 29 29 ILE N N 29 117.586 117.586 119.154 -1.568 25786 86 1 . 1 1 29 29 ILE HA H 29 3.339 3.339 3.531 -0.192 25786 87 1 . 1 1 29 29 ILE C C 29 177.927 177.927 177.947 -0.020 25786 88 1 . 1 1 29 29 ILE CA C 29 66.203 66.203 65.912 0.291 25786 89 1 . 1 1 29 29 ILE CB C 29 37.823 37.823 37.551 0.272 25786 90 1 . 1 1 29 29 ILE H H 29 7.914 7.914 8.086 -0.172 25786 91 1 . 1 1 30 30 GLN N N 30 116.395 116.395 117.856 -1.461 25786 92 1 . 1 1 30 30 GLN HA H 30 4.157 4.157 4.069 0.088 25786 93 1 . 1 1 30 30 GLN C C 30 179.400 179.400 178.867 0.533 25786 94 1 . 1 1 30 30 GLN CA C 30 58.410 58.410 58.438 -0.028 25786 95 1 . 1 1 30 30 GLN CB C 30 28.804 28.804 28.506 0.298 25786 96 1 . 1 1 30 30 GLN H H 30 7.287 7.287 7.740 -0.453 25786 97 1 . 1 1 31 31 GLU N N 31 120.336 120.336 120.918 -0.582 25786 98 1 . 1 1 31 31 GLU HA H 31 4.023 4.023 4.155 -0.132 25786 99 1 . 1 1 31 31 GLU C C 31 178.395 178.395 178.454 -0.059 25786 100 1 . 1 1 31 31 GLU CA C 31 59.377 59.377 58.888 0.489 25786 101 1 . 1 1 31 31 GLU CB C 31 30.436 30.436 29.793 0.643 25786 102 1 . 1 1 31 31 GLU H H 31 8.814 8.814 8.412 0.402 25786 103 1 . 1 1 32 32 LEU N N 32 115.139 115.139 116.249 -1.110 25786 104 1 . 1 1 32 32 LEU HA H 32 4.377 4.377 4.440 -0.063 25786 105 1 . 1 1 32 32 LEU C C 32 176.033 176.033 176.618 -0.585 25786 106 1 . 1 1 32 32 LEU CA C 32 54.101 54.101 54.585 -0.484 25786 107 1 . 1 1 32 32 LEU CB C 32 41.354 41.354 42.128 -0.774 25786 108 1 . 1 1 32 32 LEU H H 32 8.109 8.109 8.079 0.031 25786 109 1 . 1 1 33 33 ASN N N 33 116.751 116.751 115.866 0.885 25786 110 1 . 1 1 33 33 ASN HA H 33 4.453 4.453 4.388 0.065 25786 111 1 . 1 1 33 33 ASN C C 33 174.288 174.288 174.387 -0.099 25786 112 1 . 1 1 33 33 ASN CA C 33 54.024 54.024 54.032 -0.008 25786 113 1 . 1 1 33 33 ASN CB C 33 36.929 36.929 37.393 -0.464 25786 114 1 . 1 1 33 33 ASN H H 33 7.796 7.796 7.685 0.111 25786 115 1 . 1 1 34 34 LEU N N 34 117.139 117.139 117.999 -0.860 25786 116 1 . 1 1 34 34 LEU HA H 34 4.787 4.787 4.740 0.047 25786 117 1 . 1 1 34 34 LEU C C 34 176.521 176.521 175.571 0.950 25786 118 1 . 1 1 34 34 LEU CA C 34 53.079 53.079 53.527 -0.448 25786 119 1 . 1 1 34 34 LEU CB C 34 44.673 44.673 45.424 -0.751 25786 120 1 . 1 1 34 34 LEU H H 34 7.728 7.728 8.487 -0.759 25786 121 1 . 1 1 35 35 THR N N 35 110.751 110.751 108.690 2.061 25786 122 1 . 1 1 35 35 THR HA H 35 4.803 4.803 4.830 -0.027 25786 123 1 . 1 1 35 35 THR C C 35 174.438 174.438 173.644 0.794 25786 124 1 . 1 1 35 35 THR CA C 35 59.445 59.445 58.534 0.911 25786 125 1 . 1 1 35 35 THR CB C 35 68.651 68.651 69.682 -1.031 25786 126 1 . 1 1 35 35 THR H H 35 8.001 8.001 8.060 -0.059 25786 127 1 . 1 1 36 36 PRO HA H 36 4.077 4.077 4.287 -0.210 25786 128 1 . 1 1 36 36 PRO CA C 36 65.645 65.645 65.210 0.435 25786 129 1 . 1 1 36 36 PRO CB C 36 31.632 31.632 31.866 -0.234 25786 130 1 . 1 1 37 37 GLN N N 37 112.874 112.874 114.111 -1.237 25786 131 1 . 1 1 37 37 GLN HA H 37 4.105 4.105 4.285 -0.180 25786 132 1 . 1 1 37 37 GLN C C 37 176.960 176.960 177.067 -0.107 25786 133 1 . 1 1 37 37 GLN CA C 37 57.891 57.891 56.865 1.026 25786 134 1 . 1 1 37 37 GLN CB C 37 27.902 27.902 28.286 -0.384 25786 135 1 . 1 1 37 37 GLN H H 37 8.005 8.005 8.156 -0.151 25786 136 1 . 1 1 38 38 GLN N N 38 116.477 116.477 118.289 -1.812 25786 137 1 . 1 1 38 38 GLN HA H 38 4.187 4.187 4.340 -0.153 25786 138 1 . 1 1 38 38 GLN C C 38 175.508 175.508 176.593 -1.085 25786 139 1 . 1 1 38 38 GLN CA C 38 56.398 56.398 56.466 -0.068 25786 140 1 . 1 1 38 38 GLN CB C 38 31.126 31.126 30.092 1.034 25786 141 1 . 1 1 38 38 GLN H H 38 7.663 7.663 7.716 -0.053 25786 142 1 . 1 1 39 39 LEU N N 39 120.726 120.726 122.146 -1.420 25786 143 1 . 1 1 39 39 LEU HA H 39 4.371 4.371 4.517 -0.146 25786 144 1 . 1 1 39 39 LEU C C 39 174.277 174.277 175.117 -0.840 25786 145 1 . 1 1 39 39 LEU CA C 39 53.959 53.959 53.772 0.187 25786 146 1 . 1 1 39 39 LEU CB C 39 41.610 41.610 41.525 0.085 25786 147 1 . 1 1 39 39 LEU H H 39 7.286 7.286 7.818 -0.532 25786 148 1 . 1 1 40 40 HIS N N 40 124.680 124.680 123.227 1.453 25786 149 1 . 1 1 40 40 HIS HA H 40 4.808 4.808 4.635 0.173 25786 150 1 . 1 1 40 40 HIS C C 40 176.727 176.727 176.224 0.503 25786 151 1 . 1 1 40 40 HIS CA C 40 54.762 54.762 55.710 -0.948 25786 152 1 . 1 1 40 40 HIS CB C 40 31.521 31.521 31.962 -0.441 25786 153 1 . 1 1 40 40 HIS H H 40 8.158 8.158 8.000 0.158 25786 154 1 . 1 1 41 41 GLU HA H 41 4.029 4.029 3.954 0.076 25786 155 1 . 1 1 42 42 GLU N N 42 113.813 113.813 117.683 -3.870 25786 156 1 . 1 1 42 42 GLU HA H 42 4.547 4.547 4.272 0.275 25786 157 1 . 1 1 42 42 GLU C C 42 176.680 176.680 176.144 0.536 25786 158 1 . 1 1 42 42 GLU CA C 42 55.313 55.313 55.603 -0.290 25786 159 1 . 1 1 42 42 GLU CB C 42 29.165 29.165 28.732 0.433 25786 160 1 . 1 1 42 42 GLU H H 42 8.808 8.808 7.966 0.842 25786 161 1 . 1 1 43 43 SER N N 43 118.066 118.066 117.103 0.963 25786 162 1 . 1 1 43 43 SER HA H 43 4.088 4.088 4.255 -0.167 25786 163 1 . 1 1 43 43 SER C C 43 173.663 173.663 173.743 -0.080 25786 164 1 . 1 1 43 43 SER CA C 43 60.156 60.156 58.801 1.355 25786 165 1 . 1 1 43 43 SER CB C 43 62.827 62.827 63.725 -0.898 25786 166 1 . 1 1 43 43 SER H H 43 7.485 7.485 7.550 -0.065 25786 167 1 . 1 1 44 44 ASN N N 44 123.218 123.218 123.403 -0.185 25786 168 1 . 1 1 44 44 ASN HA H 44 4.392 4.392 4.826 -0.434 25786 169 1 . 1 1 44 44 ASN C C 44 176.926 176.926 176.390 0.535 25786 170 1 . 1 1 44 44 ASN CA C 44 53.987 53.987 53.501 0.486 25786 171 1 . 1 1 44 44 ASN CB C 44 38.433 38.433 38.737 -0.304 25786 172 1 . 1 1 44 44 ASN H H 44 8.811 8.811 8.678 0.133 25786 173 1 . 1 1 45 45 LEU N N 45 128.735 128.735 125.738 2.997 25786 174 1 . 1 1 45 45 LEU HA H 45 3.722 3.722 3.975 -0.253 25786 175 1 . 1 1 45 45 LEU C C 45 178.143 178.143 178.502 -0.359 25786 176 1 . 1 1 45 45 LEU CA C 45 57.149 57.149 57.386 -0.237 25786 177 1 . 1 1 45 45 LEU CB C 45 42.250 42.250 41.870 0.380 25786 178 1 . 1 1 45 45 LEU H H 45 9.385 9.385 8.535 0.850 25786 179 1 . 1 1 46 46 ILE N N 46 119.379 119.379 119.094 0.285 25786 180 1 . 1 1 46 46 ILE HA H 46 4.187 4.187 4.127 0.060 25786 181 1 . 1 1 46 46 ILE C C 46 180.926 180.926 179.017 1.909 25786 182 1 . 1 1 46 46 ILE CA C 46 63.814 63.814 64.480 -0.666 25786 183 1 . 1 1 46 46 ILE CB C 46 36.709 36.709 37.795 -1.086 25786 184 1 . 1 1 46 46 ILE H H 46 7.659 7.659 7.917 -0.258 25786 185 1 . 1 1 47 47 GLN N N 47 121.737 121.737 118.608 3.129 25786 186 1 . 1 1 47 47 GLN HA H 47 3.989 3.989 4.198 -0.209 25786 187 1 . 1 1 47 47 GLN C C 47 177.739 177.739 176.444 1.295 25786 188 1 . 1 1 47 47 GLN CA C 47 58.033 58.033 57.734 0.299 25786 189 1 . 1 1 47 47 GLN CB C 47 27.985 27.985 28.480 -0.495 25786 190 1 . 1 1 47 47 GLN H H 47 8.161 8.161 8.283 -0.122 25786 191 1 . 1 1 48 48 ALA N N 48 117.777 117.777 120.353 -2.576 25786 192 1 . 1 1 48 48 ALA HA H 48 4.260 4.260 4.491 -0.231 25786 193 1 . 1 1 48 48 ALA C C 48 176.582 176.582 177.411 -0.829 25786 194 1 . 1 1 48 48 ALA CA C 48 52.710 52.710 52.096 0.614 25786 195 1 . 1 1 48 48 ALA CB C 48 18.601 18.601 20.017 -1.416 25786 196 1 . 1 1 48 48 ALA H H 48 7.448 7.448 7.334 0.114 25786 197 1 . 1 1 49 49 GLY N N 49 102.932 102.932 106.150 -3.218 25786 198 1 . 1 1 49 49 GLY C C 49 174.451 174.451 172.859 1.592 25786 199 1 . 1 1 49 49 GLY CA C 49 44.967 44.967 45.153 -0.186 25786 200 1 . 1 1 49 49 GLY H H 49 7.445 7.445 7.969 -0.524 25786 201 1 . 1 1 50 50 LEU N N 50 123.058 123.058 122.511 0.547 25786 202 1 . 1 1 50 50 LEU HA H 50 4.257 4.257 4.798 -0.541 25786 203 1 . 1 1 50 50 LEU C C 50 173.460 173.460 175.138 -1.678 25786 204 1 . 1 1 50 50 LEU CA C 50 55.909 55.909 53.898 2.011 25786 205 1 . 1 1 50 50 LEU CB C 50 41.454 41.454 44.422 -2.968 25786 206 1 . 1 1 50 50 LEU H H 50 8.545 8.545 7.639 0.906 25786 207 1 . 1 1 54 54 ARG N N 54 121.407 121.407 121.900 -0.493 25786 208 1 . 1 1 54 54 ARG HA H 54 4.088 4.088 3.933 0.155 25786 209 1 . 1 1 54 54 ARG C C 54 179.647 179.647 178.120 1.527 25786 210 1 . 1 1 54 54 ARG CA C 54 59.615 59.615 59.281 0.334 25786 211 1 . 1 1 54 54 ARG CB C 54 30.633 30.633 30.766 -0.133 25786 212 1 . 1 1 54 54 ARG H H 54 8.412 8.412 8.895 -0.483 25786 213 1 . 1 1 55 55 LEU N N 55 121.118 121.118 121.064 0.054 25786 214 1 . 1 1 55 55 LEU HA H 55 4.332 4.332 4.470 -0.138 25786 215 1 . 1 1 55 55 LEU C C 55 178.416 178.416 178.393 0.024 25786 216 1 . 1 1 55 55 LEU CA C 55 59.035 59.035 58.332 0.703 25786 217 1 . 1 1 55 55 LEU CB C 55 41.718 41.718 41.764 -0.046 25786 218 1 . 1 1 55 55 LEU H H 55 9.050 9.050 8.315 0.735 25786 219 1 . 1 1 56 56 MET N N 56 117.969 117.969 117.612 0.357 25786 220 1 . 1 1 56 56 MET HA H 56 4.284 4.284 4.102 0.182 25786 221 1 . 1 1 56 56 MET C C 56 178.301 178.301 178.334 -0.033 25786 222 1 . 1 1 56 56 MET CA C 56 57.927 57.927 58.621 -0.694 25786 223 1 . 1 1 56 56 MET CB C 56 31.317 31.317 31.988 -0.671 25786 224 1 . 1 1 56 56 MET H H 56 7.875 7.875 8.152 -0.277 25786 225 1 . 1 1 57 57 ARG N N 57 119.532 119.532 119.321 0.211 25786 226 1 . 1 1 57 57 ARG HA H 57 4.096 4.096 4.023 0.073 25786 227 1 . 1 1 57 57 ARG C C 57 180.458 180.458 178.614 1.844 25786 228 1 . 1 1 57 57 ARG CA C 57 59.770 59.770 59.414 0.356 25786 229 1 . 1 1 57 57 ARG CB C 57 29.520 29.520 29.581 -0.061 25786 230 1 . 1 1 57 57 ARG H H 57 7.609 7.609 8.123 -0.514 25786 231 1 . 1 1 58 58 TRP N N 58 121.820 121.820 119.906 1.914 25786 232 1 . 1 1 58 58 TRP HA H 58 4.465 4.465 4.393 0.072 25786 233 1 . 1 1 58 58 TRP C C 58 177.973 177.973 178.449 -0.476 25786 234 1 . 1 1 58 58 TRP CA C 58 61.063 61.063 59.328 1.735 25786 235 1 . 1 1 58 58 TRP CB C 58 28.348 28.348 29.465 -1.117 25786 236 1 . 1 1 58 58 TRP H H 58 8.207 8.207 7.885 0.322 25786 237 1 . 1 1 59 59 LEU N N 59 121.654 121.654 121.103 0.551 25786 238 1 . 1 1 59 59 LEU HA H 59 4.274 4.274 4.205 0.069 25786 239 1 . 1 1 59 59 LEU C C 59 178.823 178.823 178.287 0.536 25786 240 1 . 1 1 59 59 LEU CA C 59 59.044 59.044 57.818 1.226 25786 241 1 . 1 1 59 59 LEU CB C 59 40.851 40.851 41.266 -0.415 25786 242 1 . 1 1 59 59 LEU H H 59 8.599 8.599 8.113 0.486 25786 243 1 . 1 1 60 60 HIS N N 60 116.952 116.952 117.863 -0.911 25786 244 1 . 1 1 60 60 HIS HA H 60 4.389 4.389 4.305 0.084 25786 245 1 . 1 1 60 60 HIS C C 60 177.635 177.635 177.195 0.440 25786 246 1 . 1 1 60 60 HIS CA C 60 59.755 59.755 59.978 -0.223 25786 247 1 . 1 1 60 60 HIS CB C 60 30.083 30.083 29.860 0.223 25786 248 1 . 1 1 60 60 HIS H H 60 7.909 7.909 8.201 -0.292 25786 249 1 . 1 1 61 61 TRP N N 61 123.194 123.194 121.907 1.286 25786 250 1 . 1 1 61 61 TRP HA H 61 4.032 4.032 4.264 -0.232 25786 251 1 . 1 1 61 61 TRP C C 61 179.298 179.298 177.732 1.566 25786 252 1 . 1 1 61 61 TRP CA C 61 62.541 62.541 61.106 1.435 25786 253 1 . 1 1 61 61 TRP CB C 61 28.839 28.839 29.286 -0.447 25786 254 1 . 1 1 61 61 TRP H H 61 8.142 8.142 7.796 0.346 25786 255 1 . 1 1 62 62 PHE N N 62 120.038 120.038 117.932 2.106 25786 256 1 . 1 1 62 62 PHE HA H 62 4.205 4.205 3.877 0.328 25786 257 1 . 1 1 62 62 PHE C C 62 179.080 179.080 178.429 0.651 25786 258 1 . 1 1 62 62 PHE CA C 62 63.629 63.629 61.919 1.710 25786 259 1 . 1 1 62 62 PHE CB C 62 38.664 38.664 38.311 0.353 25786 260 1 . 1 1 62 62 PHE H H 62 9.447 9.447 8.451 0.996 25786 261 1 . 1 1 63 63 ARG N N 63 118.560 118.560 119.161 -0.601 25786 262 1 . 1 1 63 63 ARG HA H 63 4.258 4.258 4.313 -0.055 25786 263 1 . 1 1 63 63 ARG C C 63 181.328 181.328 178.974 2.354 25786 264 1 . 1 1 63 63 ARG CA C 63 59.257 59.257 58.587 0.670 25786 265 1 . 1 1 63 63 ARG CB C 63 29.697 29.697 29.986 -0.289 25786 266 1 . 1 1 63 63 ARG H H 63 8.665 8.665 8.613 0.052 25786 267 1 . 1 1 64 64 LYS N N 64 122.759 122.759 118.677 4.082 25786 268 1 . 1 1 64 64 LYS HA H 64 4.019 4.019 4.138 -0.119 25786 269 1 . 1 1 64 64 LYS C C 64 177.595 177.595 177.094 0.501 25786 270 1 . 1 1 64 64 LYS CA C 64 58.651 58.651 58.144 0.508 25786 271 1 . 1 1 64 64 LYS CB C 64 31.510 31.510 32.187 -0.677 25786 272 1 . 1 1 64 64 LYS H H 64 8.690 8.690 7.840 0.850 25786 273 1 . 1 1 65 65 ASN N N 65 115.681 115.681 115.764 -0.083 25786 274 1 . 1 1 65 65 ASN HA H 65 4.532 4.532 4.734 -0.202 25786 275 1 . 1 1 65 65 ASN C C 65 173.405 173.405 174.675 -1.270 25786 276 1 . 1 1 65 65 ASN CA C 65 53.685 53.685 52.148 1.537 25786 277 1 . 1 1 65 65 ASN CB C 65 39.038 39.038 38.807 0.231 25786 278 1 . 1 1 65 65 ASN H H 65 7.246 7.246 7.675 -0.429 25786 279 1 . 1 1 66 66 GLY N N 66 105.186 105.186 105.905 -0.719 25786 280 1 . 1 1 66 66 GLY C C 66 173.869 173.869 173.935 -0.066 25786 281 1 . 1 1 66 66 GLY CA C 66 45.539 45.539 45.059 0.480 25786 282 1 . 1 1 66 66 GLY H H 66 7.603 7.603 7.622 -0.019 25786 283 1 . 1 1 67 67 TYR N N 67 119.699 119.699 120.943 -1.244 25786 284 1 . 1 1 67 67 TYR HA H 67 4.542 4.542 4.404 0.138 25786 285 1 . 1 1 67 67 TYR C C 67 175.838 175.838 175.777 0.061 25786 286 1 . 1 1 67 67 TYR CA C 67 57.858 57.858 58.101 -0.243 25786 287 1 . 1 1 67 67 TYR CB C 67 38.564 38.564 38.385 0.179 25786 288 1 . 1 1 67 67 TYR H H 67 8.248 8.248 8.030 0.218 25786 289 1 . 1 1 68 68 ARG N N 68 125.588 125.588 126.303 -0.715 25786 290 1 . 1 1 68 68 ARG HA H 68 4.389 4.389 4.429 -0.040 25786 291 1 . 1 1 68 68 ARG C C 68 174.479 174.479 174.913 -0.434 25786 292 1 . 1 1 68 68 ARG CA C 68 55.649 55.649 55.839 -0.190 25786 293 1 . 1 1 68 68 ARG CB C 68 28.357 28.357 28.702 -0.345 25786 294 1 . 1 1 68 68 ARG H H 68 8.550 8.550 8.923 -0.373 25786 295 1 . 1 1 69 69 LEU N N 69 122.034 122.034 122.398 -0.364 25786 296 1 . 1 1 69 69 LEU HA H 69 4.711 4.711 4.707 0.004 25786 297 1 . 1 1 69 69 LEU C C 69 175.630 175.630 176.095 -0.465 25786 298 1 . 1 1 69 69 LEU CA C 69 53.367 53.367 53.546 -0.179 25786 299 1 . 1 1 69 69 LEU CB C 69 44.286 44.286 44.724 -0.438 25786 300 1 . 1 1 69 69 LEU H H 69 7.421 7.421 7.878 -0.457 25786 301 1 . 1 1 70 70 THR N N 70 109.789 109.789 115.528 -5.739 25786 302 1 . 1 1 70 70 THR HA H 70 4.721 4.721 4.578 0.143 25786 303 1 . 1 1 70 70 THR C C 70 174.636 174.636 174.945 -0.309 25786 304 1 . 1 1 70 70 THR CA C 70 59.377 59.377 61.074 -1.697 25786 305 1 . 1 1 70 70 THR CB C 70 72.180 72.180 70.601 1.579 25786 306 1 . 1 1 70 70 THR H H 70 8.163 8.163 8.810 -0.647 25786 307 1 . 1 1 71 71 LEU N N 71 122.563 122.563 124.805 -2.242 25786 308 1 . 1 1 71 71 LEU HA H 71 3.885 3.885 4.074 -0.189 25786 309 1 . 1 1 71 71 LEU C C 71 178.632 178.632 177.938 0.694 25786 310 1 . 1 1 71 71 LEU CA C 71 58.196 58.196 57.742 0.454 25786 311 1 . 1 1 71 71 LEU CB C 71 41.940 41.940 42.144 -0.204 25786 312 1 . 1 1 71 71 LEU H H 71 8.825 8.825 8.690 0.135 25786 313 1 . 1 1 72 72 ARG N N 72 115.949 115.949 118.445 -2.496 25786 314 1 . 1 1 72 72 ARG HA H 72 3.876 3.876 4.192 -0.316 25786 315 1 . 1 1 72 72 ARG C C 72 178.893 178.893 178.323 0.570 25786 316 1 . 1 1 72 72 ARG CA C 72 59.147 59.147 59.401 -0.254 25786 317 1 . 1 1 72 72 ARG CB C 72 29.631 29.631 29.613 0.018 25786 318 1 . 1 1 72 72 ARG H H 72 8.244 8.244 8.451 -0.207 25786 319 1 . 1 1 73 73 GLU N N 73 117.665 117.665 119.353 -1.688 25786 320 1 . 1 1 73 73 GLU HA H 73 3.951 3.951 4.087 -0.136 25786 321 1 . 1 1 73 73 GLU C C 73 178.762 178.762 179.034 -0.272 25786 322 1 . 1 1 73 73 GLU CA C 73 59.092 59.092 59.437 -0.345 25786 323 1 . 1 1 73 73 GLU CB C 73 29.739 29.739 28.894 0.845 25786 324 1 . 1 1 73 73 GLU H H 73 7.461 7.461 7.941 -0.480 25786 325 1 . 1 1 74 74 LEU N N 74 117.724 117.724 119.199 -1.475 25786 326 1 . 1 1 74 74 LEU HA H 74 3.898 3.898 4.289 -0.391 25786 327 1 . 1 1 74 74 LEU C C 74 179.355 179.355 179.532 -0.177 25786 328 1 . 1 1 74 74 LEU CA C 74 57.469 57.469 57.339 0.130 25786 329 1 . 1 1 74 74 LEU CB C 74 41.619 41.619 41.503 0.116 25786 330 1 . 1 1 74 74 LEU H H 74 7.413 7.413 7.394 0.019 25786 331 1 . 1 1 75 75 TYR N N 75 114.976 114.976 118.078 -3.102 25786 332 1 . 1 1 75 75 TYR HA H 75 4.054 4.054 4.399 -0.345 25786 333 1 . 1 1 75 75 TYR C C 75 176.656 176.656 177.310 -0.654 25786 334 1 . 1 1 75 75 TYR CA C 75 60.638 60.638 60.063 0.575 25786 335 1 . 1 1 75 75 TYR CB C 75 39.688 39.688 37.902 1.786 25786 336 1 . 1 1 75 75 TYR H H 75 8.086 8.086 7.782 0.304 25786 337 1 . 1 1 76 76 ALA N N 76 119.116 119.116 120.880 -1.764 25786 338 1 . 1 1 76 76 ALA HA H 76 4.052 4.052 4.325 -0.273 25786 339 1 . 1 1 76 76 ALA C C 76 178.156 178.156 177.240 0.916 25786 340 1 . 1 1 76 76 ALA CA C 76 54.468 54.468 53.333 1.135 25786 341 1 . 1 1 76 76 ALA CB C 76 18.535 18.535 19.693 -1.159 25786 342 1 . 1 1 76 76 ALA H H 76 7.776 7.776 7.764 0.012 25786 343 1 . 1 1 77 77 ALA N N 77 116.862 116.862 120.676 -3.814 25786 344 1 . 1 1 77 77 ALA C C 77 173.737 173.737 174.496 -0.759 25786 345 1 . 1 1 77 77 ALA CA C 77 49.713 49.713 49.626 0.087 25786 346 1 . 1 1 77 77 ALA CB C 77 19.226 19.226 19.705 -0.479 25786 347 1 . 1 1 77 77 ALA H H 77 6.706 6.706 7.876 -1.170 25786 348 1 . 1 1 78 78 PRO HA H 78 5.018 5.018 4.924 0.094 25786 349 1 . 1 1 78 78 PRO CA C 78 61.523 61.523 62.469 -0.946 25786 350 1 . 1 1 78 78 PRO CB C 78 28.845 28.845 30.359 -1.514 25786 351 1 . 1 1 79 79 THR N N 79 111.947 111.947 112.644 -0.697 25786 352 1 . 1 1 79 79 THR HA H 79 4.396 4.396 4.702 -0.306 25786 353 1 . 1 1 79 79 THR C C 79 173.000 173.000 174.423 -1.423 25786 354 1 . 1 1 79 79 THR CA C 79 58.059 58.059 59.537 -1.478 25786 355 1 . 1 1 79 79 THR CB C 79 72.247 72.247 72.475 -0.228 25786 356 1 . 1 1 79 79 THR H H 79 7.664 7.664 7.196 0.468 25786 357 1 . 1 1 80 80 LEU N N 80 123.227 123.227 123.432 -0.205 25786 358 1 . 1 1 80 80 LEU HA H 80 3.747 3.747 3.979 -0.232 25786 359 1 . 1 1 80 80 LEU C C 80 179.028 179.028 178.060 0.968 25786 360 1 . 1 1 80 80 LEU CA C 80 58.209 58.209 57.510 0.699 25786 361 1 . 1 1 80 80 LEU CB C 80 41.579 41.579 41.553 0.026 25786 362 1 . 1 1 80 80 LEU H H 80 9.609 9.609 8.649 0.960 25786 363 1 . 1 1 81 81 ALA N N 81 119.663 119.663 121.740 -2.077 25786 364 1 . 1 1 81 81 ALA HA H 81 4.141 4.141 4.077 0.064 25786 365 1 . 1 1 81 81 ALA C C 81 181.038 181.038 179.117 1.921 25786 366 1 . 1 1 81 81 ALA CA C 81 54.876 54.876 55.035 -0.159 25786 367 1 . 1 1 81 81 ALA CB C 81 18.428 18.428 18.090 0.338 25786 368 1 . 1 1 81 81 ALA H H 81 8.831 8.831 8.526 0.305 25786 369 1 . 1 1 82 82 ALA N N 82 122.181 122.181 121.454 0.727 25786 370 1 . 1 1 82 82 ALA HA H 82 4.225 4.225 4.193 0.032 25786 371 1 . 1 1 82 82 ALA C C 82 181.868 181.868 179.685 2.183 25786 372 1 . 1 1 82 82 ALA CA C 82 54.808 54.808 54.786 0.022 25786 373 1 . 1 1 82 82 ALA CB C 82 19.088 19.088 18.408 0.680 25786 374 1 . 1 1 82 82 ALA H H 82 8.272 8.272 7.689 0.583 25786 375 1 . 1 1 83 83 TRP N N 83 123.399 123.399 119.164 4.235 25786 376 1 . 1 1 83 83 TRP HA H 83 4.543 4.543 4.268 0.275 25786 377 1 . 1 1 83 83 TRP C C 83 178.633 178.633 178.688 -0.055 25786 378 1 . 1 1 83 83 TRP CA C 83 59.562 59.562 58.950 0.612 25786 379 1 . 1 1 83 83 TRP CB C 83 28.301 28.301 28.435 -0.134 25786 380 1 . 1 1 83 83 TRP H H 83 9.378 9.378 8.096 1.282 25786 381 1 . 1 1 84 84 ASN N N 84 118.250 118.250 117.681 0.569 25786 382 1 . 1 1 84 84 ASN HA H 84 4.616 4.616 4.282 0.334 25786 383 1 . 1 1 84 84 ASN C C 84 177.231 177.231 177.651 -0.420 25786 384 1 . 1 1 84 84 ASN CA C 84 57.096 57.096 56.373 0.723 25786 385 1 . 1 1 84 84 ASN CB C 84 39.229 39.229 37.892 1.337 25786 386 1 . 1 1 84 84 ASN H H 84 9.136 9.136 8.540 0.595 25786 387 1 . 1 1 85 85 GLN N N 85 116.261 116.261 119.552 -3.291 25786 388 1 . 1 1 85 85 GLN HA H 85 4.011 4.011 4.056 -0.045 25786 389 1 . 1 1 85 85 GLN C C 85 179.455 179.455 178.595 0.860 25786 390 1 . 1 1 85 85 GLN CA C 85 58.748 58.748 58.763 -0.015 25786 391 1 . 1 1 85 85 GLN CB C 85 27.840 27.840 28.555 -0.715 25786 392 1 . 1 1 85 85 GLN H H 85 7.511 7.511 7.807 -0.296 25786 393 1 . 1 1 86 86 LEU N N 86 121.554 121.554 118.478 3.076 25786 394 1 . 1 1 86 86 LEU HA H 86 4.041 4.041 3.999 0.042 25786 395 1 . 1 1 86 86 LEU C C 86 179.171 179.171 178.669 0.502 25786 396 1 . 1 1 86 86 LEU CA C 86 57.804 57.804 57.295 0.509 25786 397 1 . 1 1 86 86 LEU CB C 86 41.915 41.915 41.541 0.374 25786 398 1 . 1 1 86 86 LEU H H 86 8.172 8.172 8.298 -0.126 25786 399 1 . 1 1 87 87 MET N N 87 117.874 117.874 116.398 1.476 25786 400 1 . 1 1 87 87 MET HA H 87 3.752 3.752 4.206 -0.454 25786 401 1 . 1 1 87 87 MET C C 87 178.221 178.221 178.509 -0.288 25786 402 1 . 1 1 87 87 MET CA C 87 59.481 59.481 58.490 0.991 25786 403 1 . 1 1 87 87 MET CB C 87 34.875 34.875 33.086 1.789 25786 404 1 . 1 1 87 87 MET H H 87 8.197 8.197 7.596 0.602 25786 405 1 . 1 1 88 88 LEU N N 88 117.598 117.598 121.527 -3.929 25786 406 1 . 1 1 88 88 LEU HA H 88 4.054 4.054 4.343 -0.289 25786 407 1 . 1 1 88 88 LEU C C 88 179.237 179.237 178.715 0.522 25786 408 1 . 1 1 88 88 LEU CA C 88 57.076 57.076 57.852 -0.776 25786 409 1 . 1 1 88 88 LEU CB C 88 42.395 42.395 42.043 0.352 25786 410 1 . 1 1 88 88 LEU H H 88 7.902 7.902 8.288 -0.386 25786 411 1 . 1 1 89 89 SER N N 89 113.195 113.195 113.972 -0.777 25786 412 1 . 1 1 89 89 SER HA H 89 4.038 4.038 4.314 -0.276 25786 413 1 . 1 1 89 89 SER C C 89 175.090 175.090 175.446 -0.356 25786 414 1 . 1 1 89 89 SER CA C 89 59.901 59.901 60.623 -0.722 25786 415 1 . 1 1 89 89 SER CB C 89 63.834 63.834 63.003 0.831 25786 416 1 . 1 1 89 89 SER H H 89 7.958 7.958 8.245 -0.287 25786 417 1 . 1 1 90 90 ARG N N 90 122.031 122.031 119.486 2.545 25786 418 1 . 1 1 90 90 ARG HA H 90 4.701 4.701 4.425 0.276 25786 419 1 . 1 1 90 90 ARG C C 90 175.695 175.695 175.704 -0.009 25786 420 1 . 1 1 90 90 ARG CA C 90 53.905 53.905 55.925 -2.020 25786 421 1 . 1 1 90 90 ARG CB C 90 29.631 29.631 30.852 -1.221 25786 422 1 . 1 1 90 90 ARG H H 90 7.923 7.923 7.636 0.287 25786 423 1 . 1 1 91 91 SER N N 91 117.191 117.191 115.547 1.644 25786 424 1 . 1 1 91 91 SER C C 91 172.914 172.914 172.248 0.666 25786 425 1 . 1 1 91 91 SER CA C 91 57.104 57.104 57.160 -0.056 25786 426 1 . 1 1 91 91 SER CB C 91 63.437 63.437 63.312 0.125 25786 427 1 . 1 1 91 91 SER H H 91 7.752 7.752 7.950 -0.198 25786 428 1 . 1 1 92 92 PRO HA H 92 4.420 4.420 4.483 -0.063 25786 429 1 . 1 1 92 92 PRO CA C 92 63.414 63.414 62.727 0.687 25786 430 1 . 1 1 92 92 PRO CB C 92 31.895 31.895 32.126 -0.231 25786 stop_ save_