data_25716 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25716 _Entry.PDB_ID 2N5H 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 25716 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASP HA H 2 4.704 4.704 4.803 -0.099 25716 2 1 1 . 1 1 2 2 ASP C C 2 173.822 173.822 177.533 -3.711 25716 3 1 1 . 1 1 2 2 ASP CA C 2 54.130 54.130 54.394 -0.264 25716 4 1 1 . 1 1 2 2 ASP CB C 2 41.601 41.601 42.476 -0.875 25716 5 1 1 . 1 1 3 3 GLY N N 3 109.376 109.376 110.689 -1.313 25716 6 1 1 . 1 1 3 3 GLY C C 3 172.786 172.786 175.033 -2.247 25716 7 1 1 . 1 1 3 3 GLY CA C 3 46.704 46.704 46.838 -0.134 25716 8 1 1 . 1 1 3 3 GLY H H 3 8.712 8.712 8.761 -0.049 25716 9 1 1 . 1 1 4 4 GLU N N 4 120.623 120.623 123.359 -2.736 25716 10 1 1 . 1 1 4 4 GLU HA H 4 4.207 4.207 3.922 0.285 25716 11 1 1 . 1 1 4 4 GLU C C 4 175.198 175.198 178.255 -3.057 25716 12 1 1 . 1 1 4 4 GLU CA C 4 58.159 58.159 58.785 -0.626 25716 13 1 1 . 1 1 4 4 GLU CB C 4 29.793 29.793 29.344 0.449 25716 14 1 1 . 1 1 4 4 GLU H H 4 8.280 8.280 8.108 0.172 25716 15 1 1 . 1 1 5 5 GLU N N 5 121.684 121.684 120.487 1.197 25716 16 1 1 . 1 1 5 5 GLU HA H 5 4.173 4.173 4.126 0.047 25716 17 1 1 . 1 1 5 5 GLU C C 5 175.720 175.720 178.961 -3.241 25716 18 1 1 . 1 1 5 5 GLU CA C 5 58.648 58.648 58.783 -0.135 25716 19 1 1 . 1 1 5 5 GLU CB C 5 29.819 29.819 29.246 0.573 25716 20 1 1 . 1 1 5 5 GLU H H 5 8.254 8.254 7.802 0.452 25716 21 1 1 . 1 1 6 6 VAL N N 6 120.195 120.195 120.307 -0.112 25716 22 1 1 . 1 1 6 6 VAL HA H 6 3.594 3.594 3.646 -0.052 25716 23 1 1 . 1 1 6 6 VAL C C 6 174.638 174.638 178.342 -3.704 25716 24 1 1 . 1 1 6 6 VAL CA C 6 66.621 66.621 66.867 -0.246 25716 25 1 1 . 1 1 6 6 VAL CB C 6 32.041 32.041 31.538 0.503 25716 26 1 1 . 1 1 6 6 VAL H H 6 8.137 8.137 8.149 -0.012 25716 27 1 1 . 1 1 7 7 LYS N N 7 118.688 118.688 119.380 -0.692 25716 28 1 1 . 1 1 7 7 LYS HA H 7 3.776 3.776 3.935 -0.159 25716 29 1 1 . 1 1 7 7 LYS C C 7 175.192 175.192 179.042 -3.850 25716 30 1 1 . 1 1 7 7 LYS CA C 7 60.903 60.903 60.208 0.695 25716 31 1 1 . 1 1 7 7 LYS CB C 7 32.251 32.251 32.222 0.029 25716 32 1 1 . 1 1 7 7 LYS H H 7 8.099 8.099 8.037 0.062 25716 33 1 1 . 1 1 8 8 GLU N N 8 117.138 117.138 119.005 -1.867 25716 34 1 1 . 1 1 8 8 GLU HA H 8 4.188 4.188 4.106 0.082 25716 35 1 1 . 1 1 8 8 GLU C C 8 176.405 176.405 178.992 -2.587 25716 36 1 1 . 1 1 8 8 GLU CA C 8 58.635 58.635 58.973 -0.338 25716 37 1 1 . 1 1 8 8 GLU CB C 8 29.149 29.149 29.228 -0.079 25716 38 1 1 . 1 1 8 8 GLU H H 8 7.875 7.875 8.083 -0.208 25716 39 1 1 . 1 1 9 9 LYS N N 9 119.639 119.639 119.758 -0.119 25716 40 1 1 . 1 1 9 9 LYS HA H 9 4.072 4.072 4.137 -0.065 25716 41 1 1 . 1 1 9 9 LYS C C 9 177.376 177.376 179.249 -1.873 25716 42 1 1 . 1 1 9 9 LYS CA C 9 59.994 59.994 59.833 0.161 25716 43 1 1 . 1 1 9 9 LYS CB C 9 32.471 32.471 32.604 -0.133 25716 44 1 1 . 1 1 9 9 LYS H H 9 8.102 8.102 7.542 0.560 25716 45 1 1 . 1 1 10 10 ILE N N 10 119.456 119.456 119.031 0.425 25716 46 1 1 . 1 1 10 10 ILE HA H 10 3.713 3.713 3.681 0.032 25716 47 1 1 . 1 1 10 10 ILE C C 10 174.153 174.153 177.913 -3.760 25716 48 1 1 . 1 1 10 10 ILE CA C 10 65.549 65.549 64.898 0.651 25716 49 1 1 . 1 1 10 10 ILE CB C 10 37.522 37.522 37.970 -0.448 25716 50 1 1 . 1 1 10 10 ILE H H 10 8.210 8.210 7.924 0.286 25716 51 1 1 . 1 1 11 11 ARG N N 11 121.172 121.172 119.438 1.734 25716 52 1 1 . 1 1 11 11 ARG HA H 11 3.608 3.608 3.993 -0.385 25716 53 1 1 . 1 1 11 11 ARG C C 11 174.925 174.925 178.389 -3.464 25716 54 1 1 . 1 1 11 11 ARG CA C 11 60.617 60.617 59.055 1.562 25716 55 1 1 . 1 1 11 11 ARG CB C 11 30.480 30.480 29.432 1.048 25716 56 1 1 . 1 1 11 11 ARG H H 11 8.851 8.851 8.466 0.385 25716 57 1 1 . 1 1 12 12 ARG N N 12 116.578 116.578 119.360 -2.782 25716 58 1 1 . 1 1 12 12 ARG HA H 12 3.935 3.935 4.188 -0.253 25716 59 1 1 . 1 1 12 12 ARG C C 12 174.817 174.817 178.316 -3.499 25716 60 1 1 . 1 1 12 12 ARG CA C 12 59.162 59.162 58.137 1.025 25716 61 1 1 . 1 1 12 12 ARG CB C 12 29.476 29.476 29.692 -0.216 25716 62 1 1 . 1 1 12 12 ARG H H 12 8.126 8.126 7.635 0.491 25716 63 1 1 . 1 1 13 13 TYR N N 13 119.994 119.994 121.504 -1.510 25716 64 1 1 . 1 1 13 13 TYR HA H 13 4.047 4.047 4.147 -0.100 25716 65 1 1 . 1 1 13 13 TYR C C 13 175.273 175.273 177.667 -2.394 25716 66 1 1 . 1 1 13 13 TYR CA C 13 61.856 61.856 60.952 0.904 25716 67 1 1 . 1 1 13 13 TYR CB C 13 38.459 38.459 37.771 0.688 25716 68 1 1 . 1 1 13 13 TYR H H 13 7.758 7.758 7.653 0.105 25716 69 1 1 . 1 1 14 14 ILE N N 14 117.754 117.754 119.258 -1.504 25716 70 1 1 . 1 1 14 14 ILE HA H 14 3.239 3.239 3.403 -0.164 25716 71 1 1 . 1 1 14 14 ILE C C 14 175.425 175.425 177.270 -1.845 25716 72 1 1 . 1 1 14 14 ILE CA C 14 65.826 65.826 65.451 0.375 25716 73 1 1 . 1 1 14 14 ILE CB C 14 37.782 37.782 37.511 0.272 25716 74 1 1 . 1 1 14 14 ILE H H 14 8.464 8.464 7.878 0.586 25716 75 1 1 . 1 1 15 15 MET N N 15 116.173 116.173 117.626 -1.453 25716 76 1 1 . 1 1 15 15 MET HA H 15 3.939 3.939 4.105 -0.166 25716 77 1 1 . 1 1 15 15 MET C C 15 174.676 174.676 178.114 -3.438 25716 78 1 1 . 1 1 15 15 MET CA C 15 59.276 59.276 59.003 0.273 25716 79 1 1 . 1 1 15 15 MET CB C 15 32.885 32.885 32.426 0.459 25716 80 1 1 . 1 1 15 15 MET H H 15 8.265 8.265 7.297 0.968 25716 81 1 1 . 1 1 16 16 GLU N N 16 116.398 116.398 117.729 -1.331 25716 82 1 1 . 1 1 16 16 GLU HA H 16 3.980 3.980 4.024 -0.044 25716 83 1 1 . 1 1 16 16 GLU C C 16 175.158 175.158 178.586 -3.428 25716 84 1 1 . 1 1 16 16 GLU CA C 16 58.767 58.767 58.560 0.207 25716 85 1 1 . 1 1 16 16 GLU CB C 16 30.078 30.078 29.648 0.430 25716 86 1 1 . 1 1 16 16 GLU H H 16 8.619 8.619 7.767 0.852 25716 87 1 1 . 1 1 17 17 ASP N N 17 116.973 116.973 118.495 -1.522 25716 88 1 1 . 1 1 17 17 ASP HA H 17 4.591 4.591 4.508 0.083 25716 89 1 1 . 1 1 17 17 ASP C C 17 174.240 174.240 178.349 -4.109 25716 90 1 1 . 1 1 17 17 ASP CA C 17 55.438 55.438 55.688 -0.250 25716 91 1 1 . 1 1 17 17 ASP CB C 17 42.657 42.657 41.090 1.567 25716 92 1 1 . 1 1 17 17 ASP H H 17 8.119 8.119 7.701 0.418 25716 93 1 1 . 1 1 18 18 LEU N N 18 115.667 115.667 119.616 -3.949 25716 94 1 1 . 1 1 18 18 LEU HA H 18 4.488 4.488 3.944 0.544 25716 95 1 1 . 1 1 18 18 LEU C C 18 175.062 175.062 178.615 -3.553 25716 96 1 1 . 1 1 18 18 LEU CA C 18 56.075 56.075 57.120 -1.045 25716 97 1 1 . 1 1 18 18 LEU CB C 18 41.096 41.096 42.040 -0.944 25716 98 1 1 . 1 1 18 18 LEU H H 18 7.162 7.162 7.109 0.053 25716 99 1 1 . 1 1 19 19 ILE N N 19 120.763 120.763 116.143 4.620 25716 100 1 1 . 1 1 19 19 ILE HA H 19 3.979 3.979 3.945 0.034 25716 101 1 1 . 1 1 19 19 ILE C C 19 174.557 174.557 177.202 -2.645 25716 102 1 1 . 1 1 19 19 ILE CA C 19 63.809 63.809 62.928 0.881 25716 103 1 1 . 1 1 19 19 ILE CB C 19 38.044 38.044 38.638 -0.594 25716 104 1 1 . 1 1 19 19 ILE H H 19 8.017 8.017 8.107 -0.090 25716 105 1 1 . 1 1 20 20 GLY N N 20 108.619 108.619 106.280 2.339 25716 106 1 1 . 1 1 20 20 GLY CA C 20 44.560 44.560 45.044 -0.484 25716 107 1 1 . 1 1 20 20 GLY H H 20 8.126 8.126 8.263 -0.137 25716 108 1 1 . 1 1 21 21 PRO HA H 21 4.385 4.385 4.623 -0.238 25716 109 1 1 . 1 1 21 21 PRO C C 21 174.855 174.855 177.735 -2.880 25716 110 1 1 . 1 1 21 21 PRO CA C 21 64.406 64.406 63.563 0.843 25716 111 1 1 . 1 1 21 21 PRO CB C 21 32.027 32.027 31.887 0.140 25716 112 1 1 . 1 1 22 22 SER N N 22 114.165 114.165 117.168 -3.003 25716 113 1 1 . 1 1 22 22 SER HA H 22 4.394 4.394 4.410 -0.016 25716 114 1 1 . 1 1 22 22 SER C C 22 171.708 171.708 173.384 -1.676 25716 115 1 1 . 1 1 22 22 SER CA C 22 58.871 58.871 57.463 1.408 25716 116 1 1 . 1 1 22 22 SER CB C 22 63.473 63.473 60.920 2.553 25716 117 1 1 . 1 1 22 22 SER H H 22 8.279 8.279 8.298 -0.019 25716 118 1 1 . 1 1 23 23 ALA N N 23 125.151 125.151 123.255 1.896 25716 119 1 1 . 1 1 23 23 ALA HA H 23 4.250 4.250 4.534 -0.284 25716 120 1 1 . 1 1 23 23 ALA C C 23 174.903 174.903 175.721 -0.818 25716 121 1 1 . 1 1 23 23 ALA CA C 23 52.851 52.851 51.905 0.946 25716 122 1 1 . 1 1 23 23 ALA CB C 23 19.376 19.376 20.012 -0.636 25716 123 1 1 . 1 1 23 23 ALA H H 23 8.040 8.040 7.611 0.429 25716 124 1 1 . 1 1 24 24 LYS N N 24 120.823 120.823 120.530 0.293 25716 125 1 1 . 1 1 24 24 LYS HA H 24 4.346 4.346 4.233 0.113 25716 126 1 1 . 1 1 24 24 LYS C C 24 174.522 174.522 178.498 -3.976 25716 127 1 1 . 1 1 24 24 LYS CA C 24 55.938 55.938 55.710 0.228 25716 128 1 1 . 1 1 24 24 LYS CB C 24 33.187 33.187 33.439 -0.252 25716 129 1 1 . 1 1 24 24 LYS H H 24 8.306 8.306 7.914 0.392 25716 130 1 1 . 1 1 25 25 GLU N N 25 121.186 121.186 119.595 1.591 25716 131 1 1 . 1 1 25 25 GLU HA H 25 4.114 4.114 4.078 0.036 25716 132 1 1 . 1 1 25 25 GLU C C 25 173.808 173.808 176.432 -2.624 25716 133 1 1 . 1 1 25 25 GLU CA C 25 58.023 58.023 59.121 -1.098 25716 134 1 1 . 1 1 25 25 GLU CB C 25 29.769 29.769 29.541 0.228 25716 135 1 1 . 1 1 25 25 GLU H H 25 8.569 8.569 8.967 -0.398 25716 136 1 1 . 1 1 26 26 ASP N N 26 117.111 117.111 117.400 -0.289 25716 137 1 1 . 1 1 26 26 ASP HA H 26 4.569 4.569 4.882 -0.313 25716 138 1 1 . 1 1 26 26 ASP C C 26 173.265 173.265 175.679 -2.414 25716 139 1 1 . 1 1 26 26 ASP CA C 26 54.061 54.061 53.835 0.226 25716 140 1 1 . 1 1 26 26 ASP CB C 26 40.742 40.742 41.206 -0.464 25716 141 1 1 . 1 1 26 26 ASP H H 26 8.139 8.139 8.160 -0.021 25716 142 1 1 . 1 1 27 27 GLU N N 27 118.932 118.932 120.123 -1.191 25716 143 1 1 . 1 1 27 27 GLU HA H 27 4.239 4.239 4.380 -0.141 25716 144 1 1 . 1 1 27 27 GLU C C 27 172.838 172.838 176.788 -3.950 25716 145 1 1 . 1 1 27 27 GLU CA C 27 56.645 56.645 58.390 -1.745 25716 146 1 1 . 1 1 27 27 GLU CB C 27 30.703 30.703 30.679 0.024 25716 147 1 1 . 1 1 27 27 GLU H H 27 7.859 7.859 8.130 -0.271 25716 148 1 1 . 1 1 28 28 LEU N N 28 121.726 121.726 120.250 1.476 25716 149 1 1 . 1 1 28 28 LEU HA H 28 4.570 4.570 4.169 0.401 25716 150 1 1 . 1 1 28 28 LEU C C 28 172.438 172.438 175.752 -3.314 25716 151 1 1 . 1 1 28 28 LEU CA C 28 54.503 54.503 53.937 0.566 25716 152 1 1 . 1 1 28 28 LEU CB C 28 43.342 43.342 40.306 3.036 25716 153 1 1 . 1 1 28 28 LEU H H 28 7.671 7.671 7.970 -0.299 25716 154 1 1 . 1 1 29 29 ASP N N 29 126.685 126.685 125.437 1.248 25716 155 1 1 . 1 1 29 29 ASP HA H 29 4.822 4.822 4.747 0.075 25716 156 1 1 . 1 1 29 29 ASP C C 29 173.732 173.732 176.817 -3.085 25716 157 1 1 . 1 1 29 29 ASP CA C 29 52.855 52.855 53.002 -0.147 25716 158 1 1 . 1 1 29 29 ASP CB C 29 43.124 43.124 43.969 -0.845 25716 159 1 1 . 1 1 29 29 ASP H H 29 8.950 8.950 8.139 0.811 25716 160 1 1 . 1 1 30 30 ASP N N 30 120.317 120.317 120.516 -0.199 25716 161 1 1 . 1 1 30 30 ASP HA H 30 4.247 4.247 4.370 -0.123 25716 162 1 1 . 1 1 30 30 ASP C C 30 172.143 172.143 176.882 -4.739 25716 163 1 1 . 1 1 30 30 ASP CA C 30 57.352 57.352 56.876 0.476 25716 164 1 1 . 1 1 30 30 ASP CB C 30 40.160 40.160 41.196 -1.036 25716 165 1 1 . 1 1 30 30 ASP H H 30 8.500 8.500 8.802 -0.302 25716 166 1 1 . 1 1 31 31 GLN N N 31 111.109 111.109 114.384 -3.275 25716 167 1 1 . 1 1 31 31 GLN HA H 31 4.590 4.590 4.801 -0.211 25716 168 1 1 . 1 1 31 31 GLN C C 31 174.343 174.343 175.185 -0.842 25716 169 1 1 . 1 1 31 31 GLN CA C 31 54.437 54.437 54.489 -0.052 25716 170 1 1 . 1 1 31 31 GLN CB C 31 30.038 30.038 30.050 -0.012 25716 171 1 1 . 1 1 31 31 GLN H H 31 8.234 8.234 7.772 0.462 25716 172 1 1 . 1 1 32 32 THR N N 32 123.333 123.333 120.071 3.262 25716 173 1 1 . 1 1 32 32 THR HA H 32 3.856 3.856 4.094 -0.238 25716 174 1 1 . 1 1 32 32 THR CA C 32 62.805 62.805 63.094 -0.289 25716 175 1 1 . 1 1 32 32 THR CB C 32 69.907 69.907 69.021 0.886 25716 176 1 1 . 1 1 32 32 THR H H 32 7.663 7.663 7.176 0.487 25716 177 1 1 . 1 1 33 33 PRO HA H 33 4.823 4.823 4.644 0.179 25716 178 1 1 . 1 1 33 33 PRO C C 33 172.190 172.190 177.178 -4.988 25716 179 1 1 . 1 1 33 33 PRO CA C 33 61.670 61.670 62.791 -1.121 25716 180 1 1 . 1 1 33 33 PRO CB C 33 29.880 29.880 31.488 -1.608 25716 181 1 1 . 1 1 34 34 LEU N N 34 126.562 126.562 124.020 2.542 25716 182 1 1 . 1 1 34 34 LEU HA H 34 3.820 3.820 3.749 0.071 25716 183 1 1 . 1 1 34 34 LEU C C 34 176.590 176.590 178.346 -1.756 25716 184 1 1 . 1 1 34 34 LEU CA C 34 57.808 57.808 58.109 -0.302 25716 185 1 1 . 1 1 34 34 LEU CB C 34 42.569 42.569 41.516 1.053 25716 186 1 1 . 1 1 34 34 LEU H H 34 7.988 7.988 8.200 -0.212 25716 187 1 1 . 1 1 35 35 LEU N N 35 117.687 117.687 117.141 0.546 25716 188 1 1 . 1 1 35 35 LEU HA H 35 4.539 4.539 4.138 0.401 25716 189 1 1 . 1 1 35 35 LEU C C 35 178.411 178.411 179.396 -0.985 25716 190 1 1 . 1 1 35 35 LEU CA C 35 56.531 56.531 57.290 -0.759 25716 191 1 1 . 1 1 35 35 LEU CB C 35 41.338 41.338 41.767 -0.429 25716 192 1 1 . 1 1 35 35 LEU H H 35 8.184 8.184 7.376 0.808 25716 193 1 1 . 1 1 36 36 GLU N N 36 121.488 121.488 118.270 3.218 25716 194 1 1 . 1 1 36 36 GLU HA H 36 4.118 4.118 4.195 -0.077 25716 195 1 1 . 1 1 36 36 GLU C C 36 175.984 175.984 178.229 -2.245 25716 196 1 1 . 1 1 36 36 GLU CA C 36 59.264 59.264 58.668 0.596 25716 197 1 1 . 1 1 36 36 GLU CB C 36 29.608 29.608 28.828 0.780 25716 198 1 1 . 1 1 36 36 GLU H H 36 7.857 7.857 8.041 -0.184 25716 199 1 1 . 1 1 37 37 TRP N N 37 115.319 115.319 118.972 -3.653 25716 200 1 1 . 1 1 37 37 TRP HA H 37 4.950 4.950 4.586 0.364 25716 201 1 1 . 1 1 37 37 TRP C C 37 174.270 174.270 177.523 -3.253 25716 202 1 1 . 1 1 37 37 TRP CA C 37 56.075 56.075 58.380 -2.305 25716 203 1 1 . 1 1 37 37 TRP CB C 37 29.050 29.050 29.309 -0.259 25716 204 1 1 . 1 1 37 37 TRP H H 37 8.180 8.180 8.168 0.012 25716 205 1 1 . 1 1 38 38 GLY N N 38 106.793 106.793 107.241 -0.448 25716 206 1 1 . 1 1 38 38 GLY C C 38 171.784 171.784 175.685 -3.901 25716 207 1 1 . 1 1 38 38 GLY CA C 38 46.275 46.275 46.170 0.105 25716 208 1 1 . 1 1 38 38 GLY H H 38 7.704 7.704 7.690 0.014 25716 209 1 1 . 1 1 39 39 ILE N N 39 120.597 120.597 114.508 6.089 25716 210 1 1 . 1 1 39 39 ILE HA H 39 3.753 3.753 4.108 -0.355 25716 211 1 1 . 1 1 39 39 ILE C C 39 174.148 174.148 175.358 -1.210 25716 212 1 1 . 1 1 39 39 ILE CA C 39 63.934 63.934 62.840 1.094 25716 213 1 1 . 1 1 39 39 ILE CB C 39 38.673 38.673 38.387 0.286 25716 214 1 1 . 1 1 39 39 ILE H H 39 7.697 7.697 7.550 0.147 25716 215 1 1 . 1 1 40 40 LEU N N 40 115.102 115.102 122.055 -6.953 25716 216 1 1 . 1 1 40 40 LEU HA H 40 4.934 4.934 4.480 0.454 25716 217 1 1 . 1 1 40 40 LEU C C 40 172.286 172.286 175.336 -3.050 25716 218 1 1 . 1 1 40 40 LEU CA C 40 52.249 52.249 53.962 -1.713 25716 219 1 1 . 1 1 40 40 LEU CB C 40 43.454 43.454 41.685 1.769 25716 220 1 1 . 1 1 40 40 LEU H H 40 7.307 7.307 7.503 -0.196 25716 221 1 1 . 1 1 41 41 ASN N N 41 117.306 117.306 121.883 -4.577 25716 222 1 1 . 1 1 41 41 ASN HA H 41 4.589 4.589 4.736 -0.147 25716 223 1 1 . 1 1 41 41 ASN C C 41 171.807 171.807 175.696 -3.889 25716 224 1 1 . 1 1 41 41 ASN CA C 41 52.017 52.017 52.406 -0.389 25716 225 1 1 . 1 1 41 41 ASN CB C 41 39.872 39.872 41.932 -2.060 25716 226 1 1 . 1 1 41 41 ASN H H 41 8.466 8.466 8.091 0.375 25716 227 1 1 . 1 1 42 42 SER N N 42 113.236 113.236 117.168 -3.932 25716 228 1 1 . 1 1 42 42 SER HA H 42 4.116 4.116 4.174 -0.058 25716 229 1 1 . 1 1 42 42 SER C C 42 171.631 171.631 176.739 -5.108 25716 230 1 1 . 1 1 42 42 SER CA C 42 60.951 60.951 61.489 -0.538 25716 231 1 1 . 1 1 42 42 SER CB C 42 65.868 65.868 62.952 2.916 25716 232 1 1 . 1 1 42 42 SER H H 42 9.138 9.138 8.751 0.387 25716 233 1 1 . 1 1 43 43 MET N N 43 118.797 118.797 118.643 0.154 25716 234 1 1 . 1 1 43 43 MET HA H 43 4.467 4.467 4.263 0.204 25716 235 1 1 . 1 1 43 43 MET CA C 43 57.429 57.429 57.748 -0.319 25716 236 1 1 . 1 1 43 43 MET CB C 43 32.494 32.494 32.109 0.385 25716 237 1 1 . 1 1 43 43 MET H H 43 8.292 8.292 8.142 0.150 25716 238 1 1 . 1 1 44 44 ASN N N 44 117.701 117.701 116.980 0.721 25716 239 1 1 . 1 1 44 44 ASN HA H 44 4.686 4.686 4.649 0.037 25716 240 1 1 . 1 1 44 44 ASN C C 44 175.889 175.889 177.359 -1.470 25716 241 1 1 . 1 1 44 44 ASN CA C 44 53.826 53.826 55.048 -1.222 25716 242 1 1 . 1 1 44 44 ASN CB C 44 38.484 38.484 39.427 -0.943 25716 243 1 1 . 1 1 44 44 ASN H H 44 8.299 8.299 7.952 0.347 25716 244 1 1 . 1 1 45 45 ILE N N 45 122.124 122.124 121.842 0.282 25716 245 1 1 . 1 1 45 45 ILE HA H 45 3.783 3.783 3.835 -0.052 25716 246 1 1 . 1 1 45 45 ILE C C 45 174.370 174.370 177.116 -2.746 25716 247 1 1 . 1 1 45 45 ILE CA C 45 64.892 64.892 64.022 0.870 25716 248 1 1 . 1 1 45 45 ILE CB C 45 37.778 37.778 37.874 -0.096 25716 249 1 1 . 1 1 45 45 ILE H H 45 8.417 8.417 8.292 0.125 25716 250 1 1 . 1 1 46 46 VAL N N 46 120.176 120.176 115.702 4.474 25716 251 1 1 . 1 1 46 46 VAL HA H 46 3.714 3.714 3.748 -0.034 25716 252 1 1 . 1 1 46 46 VAL C C 46 175.129 175.129 177.396 -2.267 25716 253 1 1 . 1 1 46 46 VAL CA C 46 66.227 66.227 65.961 0.266 25716 254 1 1 . 1 1 46 46 VAL CB C 46 31.294 31.294 31.286 0.008 25716 255 1 1 . 1 1 46 46 VAL H H 46 7.394 7.394 7.698 -0.304 25716 256 1 1 . 1 1 47 47 LYS N N 47 118.640 118.640 119.630 -0.990 25716 257 1 1 . 1 1 47 47 LYS HA H 47 4.005 4.005 4.238 -0.233 25716 258 1 1 . 1 1 47 47 LYS CA C 47 60.033 60.033 59.234 0.799 25716 259 1 1 . 1 1 47 47 LYS CB C 47 32.093 32.093 32.156 -0.063 25716 260 1 1 . 1 1 47 47 LYS H H 47 7.221 7.221 7.826 -0.605 25716 261 1 1 . 1 1 48 48 LEU N N 48 119.812 119.812 120.938 -1.126 25716 262 1 1 . 1 1 48 48 LEU HA H 48 4.261 4.261 4.254 0.007 25716 263 1 1 . 1 1 48 48 LEU C C 48 175.105 175.105 178.403 -3.298 25716 264 1 1 . 1 1 48 48 LEU CA C 48 57.717 57.717 57.789 -0.072 25716 265 1 1 . 1 1 48 48 LEU CB C 48 41.683 41.683 42.063 -0.380 25716 266 1 1 . 1 1 48 48 LEU H H 48 7.812 7.812 7.486 0.326 25716 267 1 1 . 1 1 49 49 MET N N 49 118.031 118.031 119.753 -1.722 25716 268 1 1 . 1 1 49 49 MET HA H 49 3.919 3.919 4.169 -0.250 25716 269 1 1 . 1 1 49 49 MET C C 49 176.673 176.673 178.427 -1.754 25716 270 1 1 . 1 1 49 49 MET CA C 49 60.304 60.304 59.247 1.057 25716 271 1 1 . 1 1 49 49 MET CB C 49 33.071 33.071 32.839 0.232 25716 272 1 1 . 1 1 49 49 MET H H 49 8.583 8.583 8.257 0.326 25716 273 1 1 . 1 1 50 50 VAL N N 50 122.370 122.370 116.214 6.156 25716 274 1 1 . 1 1 50 50 VAL HA H 50 3.497 3.497 3.877 -0.380 25716 275 1 1 . 1 1 50 50 VAL C C 50 173.639 173.639 176.896 -3.257 25716 276 1 1 . 1 1 50 50 VAL CA C 50 67.182 67.182 65.298 1.884 25716 277 1 1 . 1 1 50 50 VAL CB C 50 31.551 31.551 30.975 0.576 25716 278 1 1 . 1 1 50 50 VAL H H 50 8.246 8.246 8.038 0.208 25716 279 1 1 . 1 1 51 51 TYR N N 51 121.444 121.444 122.390 -0.946 25716 280 1 1 . 1 1 51 51 TYR HA H 51 4.110 4.110 3.961 0.149 25716 281 1 1 . 1 1 51 51 TYR C C 51 174.688 174.688 177.215 -2.527 25716 282 1 1 . 1 1 51 51 TYR CA C 51 61.795 61.795 62.241 -0.446 25716 283 1 1 . 1 1 51 51 TYR CB C 51 38.036 38.036 38.411 -0.375 25716 284 1 1 . 1 1 51 51 TYR H H 51 7.774 7.774 7.376 0.398 25716 285 1 1 . 1 1 52 52 ILE N N 52 118.347 118.347 117.832 0.515 25716 286 1 1 . 1 1 52 52 ILE HA H 52 3.283 3.283 3.647 -0.364 25716 287 1 1 . 1 1 52 52 ILE C C 52 175.421 175.421 177.865 -2.444 25716 288 1 1 . 1 1 52 52 ILE CA C 52 65.477 65.477 64.520 0.957 25716 289 1 1 . 1 1 52 52 ILE CB C 52 38.703 38.703 37.280 1.423 25716 290 1 1 . 1 1 52 52 ILE H H 52 8.388 8.388 8.573 -0.185 25716 291 1 1 . 1 1 53 53 ARG N N 53 121.323 121.323 120.719 0.604 25716 292 1 1 . 1 1 53 53 ARG HA H 53 3.920 3.920 4.071 -0.151 25716 293 1 1 . 1 1 53 53 ARG C C 53 176.463 176.463 177.969 -1.506 25716 294 1 1 . 1 1 53 53 ARG CA C 53 59.458 59.458 59.546 -0.088 25716 295 1 1 . 1 1 53 53 ARG CB C 53 30.296 30.296 29.990 0.306 25716 296 1 1 . 1 1 53 53 ARG H H 53 7.831 7.831 7.543 0.288 25716 297 1 1 . 1 1 54 54 ASP N N 54 119.945 119.945 118.159 1.786 25716 298 1 1 . 1 1 54 54 ASP HA H 54 4.319 4.319 4.422 -0.103 25716 299 1 1 . 1 1 54 54 ASP C C 54 175.314 175.314 178.727 -3.413 25716 300 1 1 . 1 1 54 54 ASP CA C 54 57.126 57.126 57.343 -0.217 25716 301 1 1 . 1 1 54 54 ASP CB C 54 40.074 40.074 40.766 -0.692 25716 302 1 1 . 1 1 54 54 ASP H H 54 8.760 8.760 8.003 0.757 25716 303 1 1 . 1 1 55 55 GLU N N 55 117.530 117.530 118.939 -1.409 25716 304 1 1 . 1 1 55 55 GLU HA H 55 4.239 4.239 3.953 0.286 25716 305 1 1 . 1 1 55 55 GLU C C 55 175.224 175.224 177.555 -2.331 25716 306 1 1 . 1 1 55 55 GLU CA C 55 56.852 56.852 57.865 -1.013 25716 307 1 1 . 1 1 55 55 GLU CB C 55 29.329 29.329 29.463 -0.134 25716 308 1 1 . 1 1 55 55 GLU H H 55 8.701 8.701 8.118 0.583 25716 309 1 1 . 1 1 56 56 MET N N 56 113.874 113.874 116.194 -2.320 25716 310 1 1 . 1 1 56 56 MET HA H 56 4.566 4.566 4.426 0.140 25716 311 1 1 . 1 1 56 56 MET C C 56 173.968 173.968 176.533 -2.565 25716 312 1 1 . 1 1 56 56 MET CA C 56 55.539 55.539 54.596 0.943 25716 313 1 1 . 1 1 56 56 MET CB C 56 34.094 34.094 33.734 0.360 25716 314 1 1 . 1 1 56 56 MET H H 56 7.464 7.464 7.445 0.019 25716 315 1 1 . 1 1 57 57 GLY N N 57 107.900 107.900 106.878 1.022 25716 316 1 1 . 1 1 57 57 GLY C C 57 171.496 171.496 174.020 -2.524 25716 317 1 1 . 1 1 57 57 GLY CA C 57 46.561 46.561 45.252 1.310 25716 318 1 1 . 1 1 57 57 GLY H H 57 7.291 7.291 7.705 -0.414 25716 319 1 1 . 1 1 58 58 VAL N N 58 117.126 117.126 120.158 -3.032 25716 320 1 1 . 1 1 58 58 VAL HA H 58 4.283 4.283 4.189 0.094 25716 321 1 1 . 1 1 58 58 VAL C C 58 171.116 171.116 175.359 -4.243 25716 322 1 1 . 1 1 58 58 VAL CA C 58 60.487 60.487 60.616 -0.129 25716 323 1 1 . 1 1 58 58 VAL CB C 58 34.837 34.837 33.097 1.740 25716 324 1 1 . 1 1 58 58 VAL H H 58 6.970 6.970 7.683 -0.713 25716 325 1 1 . 1 1 59 59 SER N N 59 122.188 122.188 124.146 -1.958 25716 326 1 1 . 1 1 59 59 SER HA H 59 4.432 4.432 4.534 -0.102 25716 327 1 1 . 1 1 59 59 SER C C 59 170.766 170.766 174.000 -3.234 25716 328 1 1 . 1 1 59 59 SER CA C 59 56.563 56.563 58.321 -1.758 25716 329 1 1 . 1 1 59 59 SER CB C 59 63.106 63.106 62.877 0.229 25716 330 1 1 . 1 1 59 59 SER H H 59 8.609 8.609 8.266 0.343 25716 331 1 1 . 1 1 60 60 ILE N N 60 128.230 128.230 127.941 0.289 25716 332 1 1 . 1 1 60 60 ILE HA H 60 4.033 4.033 4.199 -0.166 25716 333 1 1 . 1 1 60 60 ILE CA C 60 58.127 58.127 58.530 -0.403 25716 334 1 1 . 1 1 60 60 ILE CB C 60 38.217 38.217 37.706 0.511 25716 335 1 1 . 1 1 60 60 ILE H H 60 8.257 8.257 8.019 0.238 25716 336 1 1 . 1 1 61 61 PRO HA H 61 4.501 4.501 4.676 -0.175 25716 337 1 1 . 1 1 61 61 PRO CA C 61 62.352 62.352 62.508 -0.156 25716 338 1 1 . 1 1 61 61 PRO CB C 61 32.469 32.469 32.838 -0.369 25716 339 1 1 . 1 1 62 62 SER HA H 62 4.058 4.058 4.184 -0.126 25716 340 1 1 . 1 1 62 62 SER C C 62 173.269 173.269 176.565 -3.296 25716 341 1 1 . 1 1 62 62 SER CA C 62 61.511 61.511 61.276 0.235 25716 342 1 1 . 1 1 62 62 SER CB C 62 62.646 62.646 62.828 -0.182 25716 343 1 1 . 1 1 63 63 THR N N 63 110.178 110.178 115.840 -5.662 25716 344 1 1 . 1 1 63 63 THR HA H 63 4.066 4.066 4.143 -0.077 25716 345 1 1 . 1 1 63 63 THR C C 63 172.917 172.917 174.962 -2.045 25716 346 1 1 . 1 1 63 63 THR CA C 63 63.007 63.007 63.874 -0.867 25716 347 1 1 . 1 1 63 63 THR CB C 63 69.323 69.323 68.529 0.794 25716 348 1 1 . 1 1 63 63 THR H H 63 7.307 7.307 8.259 -0.952 25716 349 1 1 . 1 1 64 64 HIS N N 64 121.862 121.862 118.007 3.855 25716 350 1 1 . 1 1 64 64 HIS HA H 64 4.495 4.495 4.569 -0.074 25716 351 1 1 . 1 1 64 64 HIS C C 64 171.495 171.495 175.596 -4.101 25716 352 1 1 . 1 1 64 64 HIS CA C 64 56.203 56.203 57.633 -1.430 25716 353 1 1 . 1 1 64 64 HIS CB C 64 29.814 29.814 30.544 -0.730 25716 354 1 1 . 1 1 64 64 HIS H H 64 8.132 8.132 7.732 0.400 25716 355 1 1 . 1 1 65 65 ILE N N 65 118.536 118.536 122.085 -3.549 25716 356 1 1 . 1 1 65 65 ILE HA H 65 4.165 4.165 4.282 -0.117 25716 357 1 1 . 1 1 65 65 ILE C C 65 172.049 172.049 175.312 -3.263 25716 358 1 1 . 1 1 65 65 ILE CA C 65 60.576 60.576 61.683 -1.107 25716 359 1 1 . 1 1 65 65 ILE CB C 65 35.561 35.561 36.178 -0.617 25716 360 1 1 . 1 1 65 65 ILE H H 65 7.223 7.223 7.503 -0.280 25716 361 1 1 . 1 1 66 66 THR N N 66 114.529 114.529 121.780 -7.251 25716 362 1 1 . 1 1 66 66 THR HA H 66 4.635 4.635 4.686 -0.051 25716 363 1 1 . 1 1 66 66 THR C C 66 172.176 172.176 175.807 -3.631 25716 364 1 1 . 1 1 66 66 THR CA C 66 59.827 59.827 59.556 0.271 25716 365 1 1 . 1 1 66 66 THR CB C 66 70.679 70.679 71.555 -0.876 25716 366 1 1 . 1 1 66 66 THR H H 66 7.943 7.943 7.971 -0.028 25716 367 1 1 . 1 1 67 67 GLY N N 67 109.454 109.454 110.017 -0.563 25716 368 1 1 . 1 1 67 67 GLY C C 67 172.080 172.080 175.920 -3.840 25716 369 1 1 . 1 1 67 67 GLY CA C 67 47.245 47.245 46.868 0.377 25716 370 1 1 . 1 1 67 67 GLY H H 67 8.736 8.736 8.785 -0.049 25716 371 1 1 . 1 1 68 68 LYS N N 68 118.551 118.551 121.273 -2.722 25716 372 1 1 . 1 1 68 68 LYS HA H 68 3.851 3.851 3.864 -0.013 25716 373 1 1 . 1 1 68 68 LYS C C 68 174.455 174.455 178.384 -3.929 25716 374 1 1 . 1 1 68 68 LYS CA C 68 58.697 58.697 58.708 -0.011 25716 375 1 1 . 1 1 68 68 LYS CB C 68 32.350 32.350 32.021 0.329 25716 376 1 1 . 1 1 68 68 LYS H H 68 7.968 7.968 7.938 0.030 25716 377 1 1 . 1 1 69 69 TYR N N 69 115.203 115.203 114.107 1.096 25716 378 1 1 . 1 1 69 69 TYR HA H 69 4.213 4.213 4.412 -0.199 25716 379 1 1 . 1 1 69 69 TYR C C 69 171.772 171.772 176.547 -4.775 25716 380 1 1 . 1 1 69 69 TYR CA C 69 59.212 59.212 58.246 0.966 25716 381 1 1 . 1 1 69 69 TYR CB C 69 38.555 38.555 38.830 -0.275 25716 382 1 1 . 1 1 69 69 TYR H H 69 6.826 6.826 7.253 -0.427 25716 383 1 1 . 1 1 70 70 PHE N N 70 112.140 112.140 115.364 -3.224 25716 384 1 1 . 1 1 70 70 PHE HA H 70 4.629 4.629 4.645 -0.016 25716 385 1 1 . 1 1 70 70 PHE C C 70 171.998 171.998 176.385 -4.387 25716 386 1 1 . 1 1 70 70 PHE CA C 70 57.245 57.245 58.428 -1.183 25716 387 1 1 . 1 1 70 70 PHE CB C 70 40.329 40.329 39.218 1.111 25716 388 1 1 . 1 1 70 70 PHE H H 70 7.327 7.327 7.479 -0.152 25716 389 1 1 . 1 1 71 71 LYS N N 71 113.603 113.603 121.117 -7.514 25716 390 1 1 . 1 1 71 71 LYS HA H 71 3.875 3.875 4.103 -0.228 25716 391 1 1 . 1 1 71 71 LYS C C 71 172.963 172.963 175.233 -2.270 25716 392 1 1 . 1 1 71 71 LYS CA C 71 59.667 59.667 58.710 0.957 25716 393 1 1 . 1 1 71 71 LYS CB C 71 33.074 33.074 33.120 -0.046 25716 394 1 1 . 1 1 71 71 LYS H H 71 6.925 6.925 7.782 -0.857 25716 395 1 1 . 1 1 72 72 ASP N N 72 110.434 110.434 112.878 -2.444 25716 396 1 1 . 1 1 72 72 ASP HA H 72 4.441 4.441 4.870 -0.429 25716 397 1 1 . 1 1 72 72 ASP C C 72 172.750 172.750 176.197 -3.447 25716 398 1 1 . 1 1 72 72 ASP CA C 72 52.378 52.378 52.258 0.120 25716 399 1 1 . 1 1 72 72 ASP CB C 72 42.426 42.426 44.042 -1.616 25716 400 1 1 . 1 1 72 72 ASP H H 72 7.363 7.363 7.417 -0.054 25716 401 1 1 . 1 1 73 73 LEU N N 73 120.273 120.273 119.723 0.550 25716 402 1 1 . 1 1 73 73 LEU HA H 73 3.920 3.920 4.109 -0.189 25716 403 1 1 . 1 1 73 73 LEU C C 73 176.648 176.648 177.924 -1.276 25716 404 1 1 . 1 1 73 73 LEU CA C 73 58.120 58.120 57.135 0.985 25716 405 1 1 . 1 1 73 73 LEU CB C 73 42.574 42.574 42.496 0.078 25716 406 1 1 . 1 1 73 73 LEU H H 73 9.983 9.983 8.744 1.239 25716 407 1 1 . 1 1 74 74 ASN N N 74 119.506 119.506 118.588 0.918 25716 408 1 1 . 1 1 74 74 ASN HA H 74 4.405 4.405 4.440 -0.035 25716 409 1 1 . 1 1 74 74 ASN C C 74 174.659 174.659 177.307 -2.648 25716 410 1 1 . 1 1 74 74 ASN CA C 74 56.287 56.287 56.558 -0.271 25716 411 1 1 . 1 1 74 74 ASN CB C 74 37.579 37.579 38.202 -0.623 25716 412 1 1 . 1 1 74 74 ASN H H 74 7.893 7.893 8.198 -0.305 25716 413 1 1 . 1 1 75 75 ALA N N 75 125.068 125.068 123.476 1.592 25716 414 1 1 . 1 1 75 75 ALA HA H 75 4.097 4.097 4.194 -0.097 25716 415 1 1 . 1 1 75 75 ALA C C 75 177.809 177.809 180.016 -2.207 25716 416 1 1 . 1 1 75 75 ALA CA C 75 55.365 55.365 54.759 0.606 25716 417 1 1 . 1 1 75 75 ALA CB C 75 18.572 18.572 18.243 0.329 25716 418 1 1 . 1 1 75 75 ALA H H 75 8.951 8.951 7.804 1.147 25716 419 1 1 . 1 1 76 76 ILE N N 76 119.561 119.561 118.904 0.657 25716 420 1 1 . 1 1 76 76 ILE HA H 76 3.615 3.615 3.705 -0.090 25716 421 1 1 . 1 1 76 76 ILE C C 76 175.344 175.344 178.132 -2.788 25716 422 1 1 . 1 1 76 76 ILE CA C 76 65.272 65.272 64.025 1.247 25716 423 1 1 . 1 1 76 76 ILE CB C 76 39.056 39.056 36.945 2.111 25716 424 1 1 . 1 1 76 76 ILE H H 76 8.386 8.386 7.972 0.414 25716 425 1 1 . 1 1 77 77 SER N N 77 114.090 114.090 115.494 -1.404 25716 426 1 1 . 1 1 77 77 SER HA H 77 3.878 3.878 4.150 -0.272 25716 427 1 1 . 1 1 77 77 SER C C 77 173.592 173.592 176.748 -3.156 25716 428 1 1 . 1 1 77 77 SER CA C 77 62.733 62.733 61.840 0.893 25716 429 1 1 . 1 1 77 77 SER CB C 77 62.864 62.864 63.273 -0.409 25716 430 1 1 . 1 1 77 77 SER H H 77 8.250 8.250 7.894 0.356 25716 431 1 1 . 1 1 78 78 ARG N N 78 121.670 121.670 120.288 1.382 25716 432 1 1 . 1 1 78 78 ARG HA H 78 4.129 4.129 4.068 0.061 25716 433 1 1 . 1 1 78 78 ARG C C 78 176.111 176.111 178.446 -2.335 25716 434 1 1 . 1 1 78 78 ARG CA C 78 59.328 59.328 59.260 0.068 25716 435 1 1 . 1 1 78 78 ARG CB C 78 29.814 29.814 29.488 0.325 25716 436 1 1 . 1 1 78 78 ARG H H 78 8.086 8.086 8.288 -0.202 25716 437 1 1 . 1 1 79 79 THR N N 79 118.928 118.928 113.880 5.048 25716 438 1 1 . 1 1 79 79 THR HA H 79 4.525 4.525 4.124 0.401 25716 439 1 1 . 1 1 79 79 THR C C 79 173.364 173.364 175.898 -2.534 25716 440 1 1 . 1 1 79 79 THR CA C 79 68.289 68.289 64.553 3.736 25716 441 1 1 . 1 1 79 79 THR CB C 79 67.268 67.268 68.499 -1.231 25716 442 1 1 . 1 1 79 79 THR H H 79 8.351 8.351 7.392 0.959 25716 443 1 1 . 1 1 80 80 VAL N N 80 120.643 120.643 122.195 -1.552 25716 444 1 1 . 1 1 80 80 VAL HA H 80 3.339 3.339 3.541 -0.202 25716 445 1 1 . 1 1 80 80 VAL C C 80 174.438 174.438 178.014 -3.576 25716 446 1 1 . 1 1 80 80 VAL CA C 80 67.603 67.603 66.525 1.078 25716 447 1 1 . 1 1 80 80 VAL CB C 80 31.532 31.532 31.174 0.358 25716 448 1 1 . 1 1 80 80 VAL H H 80 8.242 8.242 7.605 0.637 25716 449 1 1 . 1 1 81 81 GLU N N 81 118.067 118.067 117.465 0.602 25716 450 1 1 . 1 1 81 81 GLU HA H 81 3.943 3.943 3.983 -0.040 25716 451 1 1 . 1 1 81 81 GLU C C 81 176.961 176.961 179.152 -2.191 25716 452 1 1 . 1 1 81 81 GLU CA C 81 59.974 59.974 58.824 1.150 25716 453 1 1 . 1 1 81 81 GLU CB C 81 29.817 29.817 28.692 1.125 25716 454 1 1 . 1 1 81 81 GLU H H 81 8.296 8.296 8.019 0.277 25716 455 1 1 . 1 1 82 82 GLN N N 82 119.947 119.947 120.608 -0.661 25716 456 1 1 . 1 1 82 82 GLN HA H 82 4.110 4.110 4.112 -0.002 25716 457 1 1 . 1 1 82 82 GLN C C 82 176.023 176.023 178.152 -2.129 25716 458 1 1 . 1 1 82 82 GLN CA C 82 58.991 58.991 58.383 0.608 25716 459 1 1 . 1 1 82 82 GLN CB C 82 28.136 28.136 28.101 0.035 25716 460 1 1 . 1 1 82 82 GLN H H 82 8.444 8.444 7.427 1.017 25716 461 1 1 . 1 1 83 83 LEU N N 83 119.916 119.916 119.441 0.475 25716 462 1 1 . 1 1 83 83 LEU HA H 83 4.075 4.075 3.940 0.135 25716 463 1 1 . 1 1 83 83 LEU C C 83 177.753 177.753 178.511 -0.758 25716 464 1 1 . 1 1 83 83 LEU CA C 83 57.453 57.453 57.181 0.272 25716 465 1 1 . 1 1 83 83 LEU CB C 83 41.673 41.673 41.423 0.250 25716 466 1 1 . 1 1 83 83 LEU H H 83 8.149 8.149 8.305 -0.156 25716 467 1 1 . 1 1 84 84 LYS N N 84 121.059 121.059 119.727 1.332 25716 468 1 1 . 1 1 84 84 LYS HA H 84 3.951 3.951 3.931 0.020 25716 469 1 1 . 1 1 84 84 LYS C C 84 176.055 176.055 178.822 -2.767 25716 470 1 1 . 1 1 84 84 LYS CA C 84 59.328 59.328 59.436 -0.108 25716 471 1 1 . 1 1 84 84 LYS CB C 84 32.291 32.291 32.196 0.096 25716 472 1 1 . 1 1 84 84 LYS H H 84 8.373 8.373 8.003 0.370 25716 473 1 1 . 1 1 85 85 ALA N N 85 122.134 122.134 122.344 -0.210 25716 474 1 1 . 1 1 85 85 ALA HA H 85 4.188 4.188 3.983 0.205 25716 475 1 1 . 1 1 85 85 ALA C C 85 177.240 177.240 179.530 -2.290 25716 476 1 1 . 1 1 85 85 ALA CA C 85 54.423 54.423 55.127 -0.704 25716 477 1 1 . 1 1 85 85 ALA CB C 85 18.193 18.193 18.251 -0.058 25716 478 1 1 . 1 1 85 85 ALA H H 85 7.854 7.854 7.529 0.325 25716 479 1 1 . 1 1 86 86 GLU N N 86 117.813 117.813 118.139 -0.326 25716 480 1 1 . 1 1 86 86 GLU HA H 86 4.115 4.115 3.990 0.125 25716 481 1 1 . 1 1 86 86 GLU C C 86 175.547 175.547 179.363 -3.816 25716 482 1 1 . 1 1 86 86 GLU CA C 86 58.199 58.199 58.937 -0.738 25716 483 1 1 . 1 1 86 86 GLU CB C 86 29.841 29.841 29.131 0.709 25716 484 1 1 . 1 1 86 86 GLU H H 86 8.059 8.059 8.144 -0.085 25716 485 1 1 . 1 1 87 87 SER N N 87 114.771 114.771 115.054 -0.283 25716 486 1 1 . 1 1 87 87 SER HA H 87 4.362 4.362 4.293 0.069 25716 487 1 1 . 1 1 87 87 SER C C 87 172.405 172.405 175.881 -3.476 25716 488 1 1 . 1 1 87 87 SER CA C 87 59.806 59.806 60.754 -0.948 25716 489 1 1 . 1 1 87 87 SER CB C 87 63.528 63.528 62.737 0.791 25716 490 1 1 . 1 1 87 87 SER H H 87 7.908 7.908 8.081 -0.173 25716 491 1 1 . 1 1 88 88 ALA N N 88 124.277 124.277 123.443 0.834 25716 492 1 1 . 1 1 88 88 ALA HA H 88 4.284 4.284 4.161 0.123 25716 493 1 1 . 1 1 88 88 ALA C C 88 175.489 175.489 178.741 -3.252 25716 494 1 1 . 1 1 88 88 ALA CA C 88 53.087 53.087 54.459 -1.372 25716 495 1 1 . 1 1 88 88 ALA CB C 88 18.792 18.792 19.026 -0.234 25716 496 1 1 . 1 1 88 88 ALA H H 88 7.812 7.812 7.567 0.245 25716 497 1 1 . 1 1 89 89 LEU N N 89 119.411 119.411 118.512 0.899 25716 498 1 1 . 1 1 89 89 LEU HA H 89 4.219 4.219 4.314 -0.095 25716 499 1 1 . 1 1 89 89 LEU C C 89 175.025 175.025 178.192 -3.167 25716 500 1 1 . 1 1 89 89 LEU CA C 89 55.608 55.608 55.874 -0.266 25716 501 1 1 . 1 1 89 89 LEU CB C 89 42.213 42.213 41.699 0.514 25716 502 1 1 . 1 1 89 89 LEU H H 89 7.769 7.769 7.880 -0.111 25716 503 1 2 . 1 1 2 2 ASP HA H 2 4.704 4.704 5.064 -0.360 25716 504 1 2 . 1 1 2 2 ASP C C 2 173.822 173.822 175.728 -1.906 25716 505 1 2 . 1 1 2 2 ASP CA C 2 54.130 54.130 52.431 1.699 25716 506 1 2 . 1 1 2 2 ASP CB C 2 41.601 41.601 43.637 -2.036 25716 507 1 2 . 1 1 3 3 GLY N N 3 109.376 109.376 106.044 3.332 25716 508 1 2 . 1 1 3 3 GLY C C 3 172.786 172.786 174.595 -1.809 25716 509 1 2 . 1 1 3 3 GLY CA C 3 46.704 46.704 46.377 0.327 25716 510 1 2 . 1 1 3 3 GLY H H 3 8.712 8.712 8.461 0.251 25716 511 1 2 . 1 1 4 4 GLU N N 4 120.623 120.623 121.547 -0.924 25716 512 1 2 . 1 1 4 4 GLU HA H 4 4.207 4.207 4.128 0.079 25716 513 1 2 . 1 1 4 4 GLU C C 4 175.198 175.198 178.774 -3.576 25716 514 1 2 . 1 1 4 4 GLU CA C 4 58.159 58.159 58.759 -0.600 25716 515 1 2 . 1 1 4 4 GLU CB C 4 29.793 29.793 29.072 0.721 25716 516 1 2 . 1 1 4 4 GLU H H 4 8.280 8.280 8.869 -0.589 25716 517 1 2 . 1 1 5 5 GLU N N 5 121.684 121.684 120.123 1.561 25716 518 1 2 . 1 1 5 5 GLU HA H 5 4.173 4.173 4.409 -0.236 25716 519 1 2 . 1 1 5 5 GLU C C 5 175.720 175.720 179.273 -3.553 25716 520 1 2 . 1 1 5 5 GLU CA C 5 58.648 58.648 59.641 -0.993 25716 521 1 2 . 1 1 5 5 GLU CB C 5 29.819 29.819 28.818 1.001 25716 522 1 2 . 1 1 5 5 GLU H H 5 8.254 8.254 8.720 -0.466 25716 523 1 2 . 1 1 6 6 VAL N N 6 120.195 120.195 119.145 1.050 25716 524 1 2 . 1 1 6 6 VAL HA H 6 3.594 3.594 3.635 -0.041 25716 525 1 2 . 1 1 6 6 VAL C C 6 174.638 174.638 178.277 -3.639 25716 526 1 2 . 1 1 6 6 VAL CA C 6 66.621 66.621 65.873 0.748 25716 527 1 2 . 1 1 6 6 VAL CB C 6 32.041 32.041 31.393 0.648 25716 528 1 2 . 1 1 6 6 VAL H H 6 8.137 8.137 8.024 0.113 25716 529 1 2 . 1 1 7 7 LYS N N 7 118.688 118.688 119.271 -0.583 25716 530 1 2 . 1 1 7 7 LYS HA H 7 3.776 3.776 3.982 -0.206 25716 531 1 2 . 1 1 7 7 LYS C C 7 175.192 175.192 179.030 -3.838 25716 532 1 2 . 1 1 7 7 LYS CA C 7 60.903 60.903 60.158 0.745 25716 533 1 2 . 1 1 7 7 LYS CB C 7 32.251 32.251 32.381 -0.130 25716 534 1 2 . 1 1 7 7 LYS H H 7 8.099 8.099 7.873 0.226 25716 535 1 2 . 1 1 8 8 GLU N N 8 117.138 117.138 118.347 -1.209 25716 536 1 2 . 1 1 8 8 GLU HA H 8 4.188 4.188 4.052 0.136 25716 537 1 2 . 1 1 8 8 GLU C C 8 176.405 176.405 178.957 -2.552 25716 538 1 2 . 1 1 8 8 GLU CA C 8 58.635 58.635 59.178 -0.543 25716 539 1 2 . 1 1 8 8 GLU CB C 8 29.149 29.149 29.058 0.091 25716 540 1 2 . 1 1 8 8 GLU H H 8 7.875 7.875 8.236 -0.361 25716 541 1 2 . 1 1 9 9 LYS N N 9 119.639 119.639 120.716 -1.077 25716 542 1 2 . 1 1 9 9 LYS HA H 9 4.072 4.072 4.191 -0.119 25716 543 1 2 . 1 1 9 9 LYS C C 9 177.376 177.376 179.247 -1.871 25716 544 1 2 . 1 1 9 9 LYS CA C 9 59.994 59.994 59.705 0.289 25716 545 1 2 . 1 1 9 9 LYS CB C 9 32.471 32.471 32.653 -0.182 25716 546 1 2 . 1 1 9 9 LYS H H 9 8.102 8.102 7.762 0.340 25716 547 1 2 . 1 1 10 10 ILE N N 10 119.456 119.456 119.008 0.448 25716 548 1 2 . 1 1 10 10 ILE HA H 10 3.713 3.713 3.769 -0.056 25716 549 1 2 . 1 1 10 10 ILE C C 10 174.153 174.153 177.875 -3.722 25716 550 1 2 . 1 1 10 10 ILE CA C 10 65.549 65.549 64.832 0.717 25716 551 1 2 . 1 1 10 10 ILE CB C 10 37.522 37.522 37.975 -0.453 25716 552 1 2 . 1 1 10 10 ILE H H 10 8.210 8.210 8.071 0.139 25716 553 1 2 . 1 1 11 11 ARG N N 11 121.172 121.172 119.227 1.945 25716 554 1 2 . 1 1 11 11 ARG HA H 11 3.608 3.608 4.017 -0.409 25716 555 1 2 . 1 1 11 11 ARG C C 11 174.925 174.925 178.342 -3.417 25716 556 1 2 . 1 1 11 11 ARG CA C 11 60.617 60.617 58.791 1.826 25716 557 1 2 . 1 1 11 11 ARG CB C 11 30.480 30.480 29.211 1.269 25716 558 1 2 . 1 1 11 11 ARG H H 11 8.851 8.851 8.383 0.468 25716 559 1 2 . 1 1 12 12 ARG N N 12 116.578 116.578 120.118 -3.540 25716 560 1 2 . 1 1 12 12 ARG HA H 12 3.935 3.935 4.159 -0.224 25716 561 1 2 . 1 1 12 12 ARG C C 12 174.817 174.817 178.241 -3.424 25716 562 1 2 . 1 1 12 12 ARG CA C 12 59.162 59.162 58.111 1.051 25716 563 1 2 . 1 1 12 12 ARG CB C 12 29.476 29.476 29.611 -0.135 25716 564 1 2 . 1 1 12 12 ARG H H 12 8.126 8.126 7.639 0.487 25716 565 1 2 . 1 1 13 13 TYR N N 13 119.994 119.994 121.050 -1.056 25716 566 1 2 . 1 1 13 13 TYR HA H 13 4.047 4.047 4.105 -0.058 25716 567 1 2 . 1 1 13 13 TYR C C 13 175.273 175.273 177.757 -2.484 25716 568 1 2 . 1 1 13 13 TYR CA C 13 61.856 61.856 61.001 0.855 25716 569 1 2 . 1 1 13 13 TYR CB C 13 38.459 38.459 37.753 0.706 25716 570 1 2 . 1 1 13 13 TYR H H 13 7.758 7.758 7.684 0.074 25716 571 1 2 . 1 1 14 14 ILE N N 14 117.754 117.754 119.619 -1.865 25716 572 1 2 . 1 1 14 14 ILE HA H 14 3.239 3.239 3.435 -0.196 25716 573 1 2 . 1 1 14 14 ILE C C 14 175.425 175.425 177.181 -1.756 25716 574 1 2 . 1 1 14 14 ILE CA C 14 65.826 65.826 65.564 0.261 25716 575 1 2 . 1 1 14 14 ILE CB C 14 37.782 37.782 37.633 0.149 25716 576 1 2 . 1 1 14 14 ILE H H 14 8.464 8.464 8.191 0.273 25716 577 1 2 . 1 1 15 15 MET N N 15 116.173 116.173 117.084 -0.911 25716 578 1 2 . 1 1 15 15 MET HA H 15 3.939 3.939 4.144 -0.204 25716 579 1 2 . 1 1 15 15 MET C C 15 174.676 174.676 177.833 -3.157 25716 580 1 2 . 1 1 15 15 MET CA C 15 59.276 59.276 58.874 0.402 25716 581 1 2 . 1 1 15 15 MET CB C 15 32.885 32.885 32.241 0.644 25716 582 1 2 . 1 1 15 15 MET H H 15 8.265 8.265 7.190 1.075 25716 583 1 2 . 1 1 16 16 GLU N N 16 116.398 116.398 117.917 -1.519 25716 584 1 2 . 1 1 16 16 GLU HA H 16 3.980 3.980 4.104 -0.124 25716 585 1 2 . 1 1 16 16 GLU C C 16 175.158 175.158 177.958 -2.800 25716 586 1 2 . 1 1 16 16 GLU CA C 16 58.767 58.767 58.462 0.305 25716 587 1 2 . 1 1 16 16 GLU CB C 16 30.078 30.078 29.874 0.204 25716 588 1 2 . 1 1 16 16 GLU H H 16 8.619 8.619 7.721 0.898 25716 589 1 2 . 1 1 17 17 ASP N N 17 116.973 116.973 117.539 -0.566 25716 590 1 2 . 1 1 17 17 ASP HA H 17 4.591 4.591 4.561 0.030 25716 591 1 2 . 1 1 17 17 ASP C C 17 174.240 174.240 177.889 -3.649 25716 592 1 2 . 1 1 17 17 ASP CA C 17 55.438 55.438 55.714 -0.276 25716 593 1 2 . 1 1 17 17 ASP CB C 17 42.657 42.657 41.555 1.102 25716 594 1 2 . 1 1 17 17 ASP H H 17 8.119 8.119 7.772 0.347 25716 595 1 2 . 1 1 18 18 LEU N N 18 115.667 115.667 120.115 -4.448 25716 596 1 2 . 1 1 18 18 LEU HA H 18 4.488 4.488 4.157 0.331 25716 597 1 2 . 1 1 18 18 LEU C C 18 175.062 175.062 177.733 -2.671 25716 598 1 2 . 1 1 18 18 LEU CA C 18 56.075 56.075 56.794 -0.719 25716 599 1 2 . 1 1 18 18 LEU CB C 18 41.096 41.096 42.673 -1.577 25716 600 1 2 . 1 1 18 18 LEU H H 18 7.162 7.162 7.149 0.013 25716 601 1 2 . 1 1 19 19 ILE N N 19 120.763 120.763 116.665 4.098 25716 602 1 2 . 1 1 19 19 ILE HA H 19 3.979 3.979 4.215 -0.236 25716 603 1 2 . 1 1 19 19 ILE C C 19 174.557 174.557 176.043 -1.486 25716 604 1 2 . 1 1 19 19 ILE CA C 19 63.809 63.809 61.012 2.797 25716 605 1 2 . 1 1 19 19 ILE CB C 19 38.044 38.044 39.343 -1.299 25716 606 1 2 . 1 1 19 19 ILE H H 19 8.017 8.017 8.052 -0.035 25716 607 1 2 . 1 1 20 20 GLY N N 20 108.619 108.619 110.628 -2.009 25716 608 1 2 . 1 1 20 20 GLY CA C 20 44.560 44.560 45.212 -0.652 25716 609 1 2 . 1 1 20 20 GLY H H 20 8.126 8.126 8.460 -0.334 25716 610 1 2 . 1 1 21 21 PRO HA H 21 4.385 4.385 4.383 0.002 25716 611 1 2 . 1 1 21 21 PRO C C 21 174.855 174.855 177.501 -2.646 25716 612 1 2 . 1 1 21 21 PRO CA C 21 64.406 64.406 64.228 0.178 25716 613 1 2 . 1 1 21 21 PRO CB C 21 32.027 32.027 31.767 0.260 25716 614 1 2 . 1 1 22 22 SER N N 22 114.165 114.165 115.207 -1.042 25716 615 1 2 . 1 1 22 22 SER HA H 22 4.394 4.394 4.485 -0.091 25716 616 1 2 . 1 1 22 22 SER C C 22 171.708 171.708 173.627 -1.919 25716 617 1 2 . 1 1 22 22 SER CA C 22 58.871 58.871 58.009 0.862 25716 618 1 2 . 1 1 22 22 SER CB C 22 63.473 63.473 62.588 0.885 25716 619 1 2 . 1 1 22 22 SER H H 22 8.279 8.279 8.187 0.092 25716 620 1 2 . 1 1 23 23 ALA N N 23 125.151 125.151 123.308 1.843 25716 621 1 2 . 1 1 23 23 ALA HA H 23 4.250 4.250 4.478 -0.228 25716 622 1 2 . 1 1 23 23 ALA C C 23 174.903 174.903 176.050 -1.147 25716 623 1 2 . 1 1 23 23 ALA CA C 23 52.851 52.851 51.629 1.222 25716 624 1 2 . 1 1 23 23 ALA CB C 23 19.376 19.376 19.529 -0.153 25716 625 1 2 . 1 1 23 23 ALA H H 23 8.040 8.040 7.183 0.857 25716 626 1 2 . 1 1 24 24 LYS N N 24 120.823 120.823 120.937 -0.114 25716 627 1 2 . 1 1 24 24 LYS HA H 24 4.346 4.346 4.240 0.106 25716 628 1 2 . 1 1 24 24 LYS C C 24 174.522 174.522 178.245 -3.723 25716 629 1 2 . 1 1 24 24 LYS CA C 24 55.938 55.938 55.835 0.103 25716 630 1 2 . 1 1 24 24 LYS CB C 24 33.187 33.187 33.173 0.014 25716 631 1 2 . 1 1 24 24 LYS H H 24 8.306 8.306 7.858 0.448 25716 632 1 2 . 1 1 25 25 GLU N N 25 121.186 121.186 119.878 1.308 25716 633 1 2 . 1 1 25 25 GLU HA H 25 4.114 4.114 3.991 0.123 25716 634 1 2 . 1 1 25 25 GLU C C 25 173.808 173.808 176.089 -2.281 25716 635 1 2 . 1 1 25 25 GLU CA C 25 58.023 58.023 59.106 -1.083 25716 636 1 2 . 1 1 25 25 GLU CB C 25 29.769 29.769 29.445 0.324 25716 637 1 2 . 1 1 25 25 GLU H H 25 8.569 8.569 8.768 -0.199 25716 638 1 2 . 1 1 26 26 ASP N N 26 117.111 117.111 117.839 -0.728 25716 639 1 2 . 1 1 26 26 ASP HA H 26 4.569 4.569 4.792 -0.223 25716 640 1 2 . 1 1 26 26 ASP C C 26 173.265 173.265 175.099 -1.834 25716 641 1 2 . 1 1 26 26 ASP CA C 26 54.061 54.061 54.025 0.036 25716 642 1 2 . 1 1 26 26 ASP CB C 26 40.742 40.742 41.322 -0.580 25716 643 1 2 . 1 1 26 26 ASP H H 26 8.139 8.139 8.038 0.101 25716 644 1 2 . 1 1 27 27 GLU N N 27 118.932 118.932 120.715 -1.783 25716 645 1 2 . 1 1 27 27 GLU HA H 27 4.239 4.239 4.552 -0.313 25716 646 1 2 . 1 1 27 27 GLU C C 27 172.838 172.838 174.999 -2.161 25716 647 1 2 . 1 1 27 27 GLU CA C 27 56.645 56.645 55.968 0.677 25716 648 1 2 . 1 1 27 27 GLU CB C 27 30.703 30.703 30.997 -0.294 25716 649 1 2 . 1 1 27 27 GLU H H 27 7.859 7.859 8.158 -0.299 25716 650 1 2 . 1 1 28 28 LEU N N 28 121.726 121.726 120.828 0.898 25716 651 1 2 . 1 1 28 28 LEU HA H 28 4.570 4.570 4.375 0.195 25716 652 1 2 . 1 1 28 28 LEU C C 28 172.438 172.438 174.957 -2.519 25716 653 1 2 . 1 1 28 28 LEU CA C 28 54.503 54.503 53.802 0.701 25716 654 1 2 . 1 1 28 28 LEU CB C 28 43.342 43.342 42.323 1.019 25716 655 1 2 . 1 1 28 28 LEU H H 28 7.671 7.671 7.753 -0.082 25716 656 1 2 . 1 1 29 29 ASP N N 29 126.685 126.685 122.396 4.289 25716 657 1 2 . 1 1 29 29 ASP HA H 29 4.822 4.822 4.757 0.065 25716 658 1 2 . 1 1 29 29 ASP C C 29 173.732 173.732 176.805 -3.073 25716 659 1 2 . 1 1 29 29 ASP CA C 29 52.855 52.855 52.504 0.351 25716 660 1 2 . 1 1 29 29 ASP CB C 29 43.124 43.124 44.100 -0.976 25716 661 1 2 . 1 1 29 29 ASP H H 29 8.950 8.950 7.434 1.516 25716 662 1 2 . 1 1 30 30 ASP N N 30 120.317 120.317 120.231 0.086 25716 663 1 2 . 1 1 30 30 ASP HA H 30 4.247 4.247 4.388 -0.141 25716 664 1 2 . 1 1 30 30 ASP C C 30 172.143 172.143 176.665 -4.522 25716 665 1 2 . 1 1 30 30 ASP CA C 30 57.352 57.352 57.019 0.333 25716 666 1 2 . 1 1 30 30 ASP CB C 30 40.160 40.160 40.947 -0.787 25716 667 1 2 . 1 1 30 30 ASP H H 30 8.500 8.500 8.709 -0.209 25716 668 1 2 . 1 1 31 31 GLN N N 31 111.109 111.109 113.995 -2.886 25716 669 1 2 . 1 1 31 31 GLN HA H 31 4.590 4.590 4.568 0.022 25716 670 1 2 . 1 1 31 31 GLN C C 31 174.343 174.343 175.518 -1.175 25716 671 1 2 . 1 1 31 31 GLN CA C 31 54.437 54.437 54.776 -0.340 25716 672 1 2 . 1 1 31 31 GLN CB C 31 30.038 30.038 30.297 -0.258 25716 673 1 2 . 1 1 31 31 GLN H H 31 8.234 8.234 7.853 0.381 25716 674 1 2 . 1 1 32 32 THR N N 32 123.333 123.333 119.497 3.836 25716 675 1 2 . 1 1 32 32 THR HA H 32 3.856 3.856 4.345 -0.489 25716 676 1 2 . 1 1 32 32 THR CA C 32 62.805 62.805 61.664 1.141 25716 677 1 2 . 1 1 32 32 THR CB C 32 69.907 69.907 69.253 0.654 25716 678 1 2 . 1 1 32 32 THR H H 32 7.663 7.663 7.109 0.554 25716 679 1 2 . 1 1 33 33 PRO HA H 33 4.823 4.823 4.719 0.104 25716 680 1 2 . 1 1 33 33 PRO C C 33 172.190 172.190 177.395 -5.205 25716 681 1 2 . 1 1 33 33 PRO CA C 33 61.670 61.670 62.925 -1.255 25716 682 1 2 . 1 1 33 33 PRO CB C 33 29.880 29.880 31.607 -1.727 25716 683 1 2 . 1 1 34 34 LEU N N 34 126.562 126.562 124.532 2.030 25716 684 1 2 . 1 1 34 34 LEU HA H 34 3.820 3.820 3.737 0.083 25716 685 1 2 . 1 1 34 34 LEU C C 34 176.590 176.590 178.681 -2.091 25716 686 1 2 . 1 1 34 34 LEU CA C 34 57.808 57.808 58.133 -0.325 25716 687 1 2 . 1 1 34 34 LEU CB C 34 42.569 42.569 41.490 1.079 25716 688 1 2 . 1 1 34 34 LEU H H 34 7.988 7.988 7.965 0.023 25716 689 1 2 . 1 1 35 35 LEU N N 35 117.687 117.687 118.430 -0.743 25716 690 1 2 . 1 1 35 35 LEU HA H 35 4.539 4.539 4.135 0.404 25716 691 1 2 . 1 1 35 35 LEU C C 35 178.411 178.411 178.731 -0.320 25716 692 1 2 . 1 1 35 35 LEU CA C 35 56.531 56.531 57.566 -1.035 25716 693 1 2 . 1 1 35 35 LEU CB C 35 41.338 41.338 41.983 -0.645 25716 694 1 2 . 1 1 35 35 LEU H H 35 8.184 8.184 7.627 0.557 25716 695 1 2 . 1 1 36 36 GLU N N 36 121.488 121.488 119.103 2.385 25716 696 1 2 . 1 1 36 36 GLU HA H 36 4.118 4.118 4.167 -0.049 25716 697 1 2 . 1 1 36 36 GLU C C 36 175.984 175.984 178.398 -2.414 25716 698 1 2 . 1 1 36 36 GLU CA C 36 59.264 59.264 58.904 0.360 25716 699 1 2 . 1 1 36 36 GLU CB C 36 29.608 29.608 29.360 0.248 25716 700 1 2 . 1 1 36 36 GLU H H 36 7.857 7.857 8.104 -0.247 25716 701 1 2 . 1 1 37 37 TRP N N 37 115.319 115.319 118.910 -3.591 25716 702 1 2 . 1 1 37 37 TRP HA H 37 4.950 4.950 4.578 0.372 25716 703 1 2 . 1 1 37 37 TRP C C 37 174.270 174.270 177.544 -3.274 25716 704 1 2 . 1 1 37 37 TRP CA C 37 56.075 56.075 59.000 -2.925 25716 705 1 2 . 1 1 37 37 TRP CB C 37 29.050 29.050 29.595 -0.545 25716 706 1 2 . 1 1 37 37 TRP H H 37 8.180 8.180 8.288 -0.108 25716 707 1 2 . 1 1 38 38 GLY N N 38 106.793 106.793 107.055 -0.262 25716 708 1 2 . 1 1 38 38 GLY C C 38 171.784 171.784 175.539 -3.755 25716 709 1 2 . 1 1 38 38 GLY CA C 38 46.275 46.275 45.694 0.581 25716 710 1 2 . 1 1 38 38 GLY H H 38 7.704 7.704 7.725 -0.021 25716 711 1 2 . 1 1 39 39 ILE N N 39 120.597 120.597 113.684 6.913 25716 712 1 2 . 1 1 39 39 ILE HA H 39 3.753 3.753 4.213 -0.460 25716 713 1 2 . 1 1 39 39 ILE C C 39 174.148 174.148 175.267 -1.119 25716 714 1 2 . 1 1 39 39 ILE CA C 39 63.934 63.934 61.955 1.979 25716 715 1 2 . 1 1 39 39 ILE CB C 39 38.673 38.673 38.458 0.215 25716 716 1 2 . 1 1 39 39 ILE H H 39 7.697 7.697 7.502 0.195 25716 717 1 2 . 1 1 40 40 LEU N N 40 115.102 115.102 121.782 -6.680 25716 718 1 2 . 1 1 40 40 LEU HA H 40 4.934 4.934 4.492 0.442 25716 719 1 2 . 1 1 40 40 LEU C C 40 172.286 172.286 175.463 -3.177 25716 720 1 2 . 1 1 40 40 LEU CA C 40 52.249 52.249 53.842 -1.593 25716 721 1 2 . 1 1 40 40 LEU CB C 40 43.454 43.454 40.634 2.820 25716 722 1 2 . 1 1 40 40 LEU H H 40 7.307 7.307 7.801 -0.494 25716 723 1 2 . 1 1 41 41 ASN N N 41 117.306 117.306 121.254 -3.948 25716 724 1 2 . 1 1 41 41 ASN HA H 41 4.589 4.589 4.847 -0.258 25716 725 1 2 . 1 1 41 41 ASN C C 41 171.807 171.807 175.190 -3.383 25716 726 1 2 . 1 1 41 41 ASN CA C 41 52.017 52.017 52.345 -0.328 25716 727 1 2 . 1 1 41 41 ASN CB C 41 39.872 39.872 41.158 -1.286 25716 728 1 2 . 1 1 41 41 ASN H H 41 8.466 8.466 8.194 0.272 25716 729 1 2 . 1 1 42 42 SER N N 42 113.236 113.236 115.923 -2.687 25716 730 1 2 . 1 1 42 42 SER HA H 42 4.116 4.116 4.202 -0.086 25716 731 1 2 . 1 1 42 42 SER C C 42 171.631 171.631 176.668 -5.037 25716 732 1 2 . 1 1 42 42 SER CA C 42 60.951 60.951 61.320 -0.369 25716 733 1 2 . 1 1 42 42 SER CB C 42 65.868 65.868 63.128 2.740 25716 734 1 2 . 1 1 42 42 SER H H 42 9.138 9.138 8.689 0.449 25716 735 1 2 . 1 1 43 43 MET N N 43 118.797 118.797 119.725 -0.928 25716 736 1 2 . 1 1 43 43 MET HA H 43 4.467 4.467 4.365 0.102 25716 737 1 2 . 1 1 43 43 MET CA C 43 57.429 57.429 57.299 0.130 25716 738 1 2 . 1 1 43 43 MET CB C 43 32.494 32.494 32.252 0.242 25716 739 1 2 . 1 1 43 43 MET H H 43 8.292 8.292 8.192 0.100 25716 740 1 2 . 1 1 44 44 ASN N N 44 117.701 117.701 116.267 1.434 25716 741 1 2 . 1 1 44 44 ASN HA H 44 4.686 4.686 4.638 0.048 25716 742 1 2 . 1 1 44 44 ASN C C 44 175.889 175.889 177.065 -1.176 25716 743 1 2 . 1 1 44 44 ASN CA C 44 53.826 53.826 54.668 -0.842 25716 744 1 2 . 1 1 44 44 ASN CB C 44 38.484 38.484 38.770 -0.286 25716 745 1 2 . 1 1 44 44 ASN H H 44 8.299 8.299 7.786 0.513 25716 746 1 2 . 1 1 45 45 ILE N N 45 122.124 122.124 121.973 0.151 25716 747 1 2 . 1 1 45 45 ILE HA H 45 3.783 3.783 3.854 -0.071 25716 748 1 2 . 1 1 45 45 ILE C C 45 174.370 174.370 177.129 -2.759 25716 749 1 2 . 1 1 45 45 ILE CA C 45 64.892 64.892 63.765 1.127 25716 750 1 2 . 1 1 45 45 ILE CB C 45 37.778 37.778 37.977 -0.200 25716 751 1 2 . 1 1 45 45 ILE H H 45 8.417 8.417 8.098 0.319 25716 752 1 2 . 1 1 46 46 VAL N N 46 120.176 120.176 114.776 5.400 25716 753 1 2 . 1 1 46 46 VAL HA H 46 3.714 3.714 3.865 -0.151 25716 754 1 2 . 1 1 46 46 VAL C C 46 175.129 175.129 177.336 -2.207 25716 755 1 2 . 1 1 46 46 VAL CA C 46 66.227 66.227 65.629 0.598 25716 756 1 2 . 1 1 46 46 VAL CB C 46 31.294 31.294 31.240 0.054 25716 757 1 2 . 1 1 46 46 VAL H H 46 7.394 7.394 7.665 -0.271 25716 758 1 2 . 1 1 47 47 LYS N N 47 118.640 118.640 119.785 -1.145 25716 759 1 2 . 1 1 47 47 LYS HA H 47 4.005 4.005 4.240 -0.235 25716 760 1 2 . 1 1 47 47 LYS CA C 47 60.033 60.033 59.074 0.959 25716 761 1 2 . 1 1 47 47 LYS CB C 47 32.093 32.093 32.125 -0.032 25716 762 1 2 . 1 1 47 47 LYS H H 47 7.221 7.221 7.406 -0.185 25716 763 1 2 . 1 1 48 48 LEU N N 48 119.812 119.812 120.876 -1.064 25716 764 1 2 . 1 1 48 48 LEU HA H 48 4.261 4.261 4.130 0.131 25716 765 1 2 . 1 1 48 48 LEU C C 48 175.105 175.105 178.601 -3.496 25716 766 1 2 . 1 1 48 48 LEU CA C 48 57.717 57.717 58.013 -0.296 25716 767 1 2 . 1 1 48 48 LEU CB C 48 41.683 41.683 41.882 -0.199 25716 768 1 2 . 1 1 48 48 LEU H H 48 7.812 7.812 7.519 0.293 25716 769 1 2 . 1 1 49 49 MET N N 49 118.031 118.031 117.606 0.425 25716 770 1 2 . 1 1 49 49 MET HA H 49 3.919 3.919 4.052 -0.133 25716 771 1 2 . 1 1 49 49 MET C C 49 176.673 176.673 178.801 -2.128 25716 772 1 2 . 1 1 49 49 MET CA C 49 60.304 60.304 59.503 0.801 25716 773 1 2 . 1 1 49 49 MET CB C 49 33.071 33.071 32.339 0.732 25716 774 1 2 . 1 1 49 49 MET H H 49 8.583 8.583 7.912 0.671 25716 775 1 2 . 1 1 50 50 VAL N N 50 122.370 122.370 115.958 6.412 25716 776 1 2 . 1 1 50 50 VAL HA H 50 3.497 3.497 3.819 -0.322 25716 777 1 2 . 1 1 50 50 VAL C C 50 173.639 173.639 177.548 -3.909 25716 778 1 2 . 1 1 50 50 VAL CA C 50 67.182 67.182 65.291 1.891 25716 779 1 2 . 1 1 50 50 VAL CB C 50 31.551 31.551 30.811 0.740 25716 780 1 2 . 1 1 50 50 VAL H H 50 8.246 8.246 7.706 0.540 25716 781 1 2 . 1 1 51 51 TYR N N 51 121.444 121.444 122.301 -0.857 25716 782 1 2 . 1 1 51 51 TYR HA H 51 4.110 4.110 3.963 0.147 25716 783 1 2 . 1 1 51 51 TYR C C 51 174.688 174.688 177.170 -2.482 25716 784 1 2 . 1 1 51 51 TYR CA C 51 61.795 61.795 62.355 -0.560 25716 785 1 2 . 1 1 51 51 TYR CB C 51 38.036 38.036 38.202 -0.166 25716 786 1 2 . 1 1 51 51 TYR H H 51 7.774 7.774 7.387 0.387 25716 787 1 2 . 1 1 52 52 ILE N N 52 118.347 118.347 118.073 0.274 25716 788 1 2 . 1 1 52 52 ILE HA H 52 3.283 3.283 3.587 -0.304 25716 789 1 2 . 1 1 52 52 ILE C C 52 175.421 175.421 178.114 -2.693 25716 790 1 2 . 1 1 52 52 ILE CA C 52 65.477 65.477 64.882 0.595 25716 791 1 2 . 1 1 52 52 ILE CB C 52 38.703 38.703 37.604 1.099 25716 792 1 2 . 1 1 52 52 ILE H H 52 8.388 8.388 8.283 0.105 25716 793 1 2 . 1 1 53 53 ARG N N 53 121.323 121.323 120.384 0.939 25716 794 1 2 . 1 1 53 53 ARG HA H 53 3.920 3.920 3.936 -0.016 25716 795 1 2 . 1 1 53 53 ARG C C 53 176.463 176.463 177.953 -1.490 25716 796 1 2 . 1 1 53 53 ARG CA C 53 59.458 59.458 59.888 -0.430 25716 797 1 2 . 1 1 53 53 ARG CB C 53 30.296 30.296 29.943 0.353 25716 798 1 2 . 1 1 53 53 ARG H H 53 7.831 7.831 8.071 -0.240 25716 799 1 2 . 1 1 54 54 ASP N N 54 119.945 119.945 117.414 2.531 25716 800 1 2 . 1 1 54 54 ASP HA H 54 4.319 4.319 4.455 -0.136 25716 801 1 2 . 1 1 54 54 ASP C C 54 175.314 175.314 177.906 -2.592 25716 802 1 2 . 1 1 54 54 ASP CA C 54 57.126 57.126 56.529 0.597 25716 803 1 2 . 1 1 54 54 ASP CB C 54 40.074 40.074 41.027 -0.953 25716 804 1 2 . 1 1 54 54 ASP H H 54 8.760 8.760 7.596 1.164 25716 805 1 2 . 1 1 55 55 GLU N N 55 117.530 117.530 118.950 -1.420 25716 806 1 2 . 1 1 55 55 GLU HA H 55 4.239 4.239 4.089 0.150 25716 807 1 2 . 1 1 55 55 GLU C C 55 175.224 175.224 178.012 -2.788 25716 808 1 2 . 1 1 55 55 GLU CA C 55 56.852 56.852 57.856 -1.004 25716 809 1 2 . 1 1 55 55 GLU CB C 55 29.329 29.329 29.470 -0.141 25716 810 1 2 . 1 1 55 55 GLU H H 55 8.701 8.701 8.008 0.693 25716 811 1 2 . 1 1 56 56 MET N N 56 113.874 113.874 116.470 -2.596 25716 812 1 2 . 1 1 56 56 MET HA H 56 4.566 4.566 4.359 0.207 25716 813 1 2 . 1 1 56 56 MET C C 56 173.968 173.968 176.975 -3.007 25716 814 1 2 . 1 1 56 56 MET CA C 56 55.539 55.539 54.694 0.846 25716 815 1 2 . 1 1 56 56 MET CB C 56 34.094 34.094 33.305 0.789 25716 816 1 2 . 1 1 56 56 MET H H 56 7.464 7.464 7.796 -0.332 25716 817 1 2 . 1 1 57 57 GLY N N 57 107.900 107.900 106.148 1.752 25716 818 1 2 . 1 1 57 57 GLY C C 57 171.496 171.496 173.955 -2.459 25716 819 1 2 . 1 1 57 57 GLY CA C 57 46.561 46.561 45.169 1.393 25716 820 1 2 . 1 1 57 57 GLY H H 57 7.291 7.291 7.859 -0.568 25716 821 1 2 . 1 1 58 58 VAL N N 58 117.126 117.126 118.979 -1.853 25716 822 1 2 . 1 1 58 58 VAL HA H 58 4.283 4.283 4.360 -0.077 25716 823 1 2 . 1 1 58 58 VAL C C 58 171.116 171.116 174.358 -3.242 25716 824 1 2 . 1 1 58 58 VAL CA C 58 60.487 60.487 60.101 0.386 25716 825 1 2 . 1 1 58 58 VAL CB C 58 34.837 34.837 34.507 0.330 25716 826 1 2 . 1 1 58 58 VAL H H 58 6.970 6.970 7.464 -0.494 25716 827 1 2 . 1 1 59 59 SER N N 59 122.188 122.188 124.097 -1.909 25716 828 1 2 . 1 1 59 59 SER HA H 59 4.432 4.432 4.650 -0.218 25716 829 1 2 . 1 1 59 59 SER C C 59 170.766 170.766 174.600 -3.834 25716 830 1 2 . 1 1 59 59 SER CA C 59 56.563 56.563 57.416 -0.853 25716 831 1 2 . 1 1 59 59 SER CB C 59 63.106 63.106 63.640 -0.534 25716 832 1 2 . 1 1 59 59 SER H H 59 8.609 8.609 8.368 0.241 25716 833 1 2 . 1 1 60 60 ILE N N 60 128.230 128.230 128.046 0.184 25716 834 1 2 . 1 1 60 60 ILE HA H 60 4.033 4.033 4.119 -0.086 25716 835 1 2 . 1 1 60 60 ILE CA C 60 58.127 58.127 59.063 -0.936 25716 836 1 2 . 1 1 60 60 ILE CB C 60 38.217 38.217 37.552 0.665 25716 837 1 2 . 1 1 60 60 ILE H H 60 8.257 8.257 8.294 -0.037 25716 838 1 2 . 1 1 61 61 PRO HA H 61 4.501 4.501 4.674 -0.173 25716 839 1 2 . 1 1 61 61 PRO CA C 61 62.352 62.352 62.413 -0.061 25716 840 1 2 . 1 1 61 61 PRO CB C 61 32.469 32.469 32.737 -0.268 25716 841 1 2 . 1 1 62 62 SER HA H 62 4.058 4.058 4.210 -0.152 25716 842 1 2 . 1 1 62 62 SER C C 62 173.269 173.269 176.572 -3.303 25716 843 1 2 . 1 1 62 62 SER CA C 62 61.511 61.511 61.095 0.416 25716 844 1 2 . 1 1 62 62 SER CB C 62 62.646 62.646 62.744 -0.098 25716 845 1 2 . 1 1 63 63 THR N N 63 110.178 110.178 115.726 -5.548 25716 846 1 2 . 1 1 63 63 THR HA H 63 4.066 4.066 4.182 -0.116 25716 847 1 2 . 1 1 63 63 THR C C 63 172.917 172.917 175.363 -2.446 25716 848 1 2 . 1 1 63 63 THR CA C 63 63.007 63.007 63.596 -0.589 25716 849 1 2 . 1 1 63 63 THR CB C 63 69.323 69.323 68.675 0.648 25716 850 1 2 . 1 1 63 63 THR H H 63 7.307 7.307 8.270 -0.963 25716 851 1 2 . 1 1 64 64 HIS N N 64 121.862 121.862 119.246 2.616 25716 852 1 2 . 1 1 64 64 HIS HA H 64 4.495 4.495 4.705 -0.210 25716 853 1 2 . 1 1 64 64 HIS C C 64 171.495 171.495 175.193 -3.698 25716 854 1 2 . 1 1 64 64 HIS CA C 64 56.203 56.203 56.928 -0.725 25716 855 1 2 . 1 1 64 64 HIS CB C 64 29.814 29.814 30.856 -1.042 25716 856 1 2 . 1 1 64 64 HIS H H 64 8.132 8.132 7.634 0.498 25716 857 1 2 . 1 1 65 65 ILE N N 65 118.536 118.536 122.119 -3.583 25716 858 1 2 . 1 1 65 65 ILE HA H 65 4.165 4.165 3.964 0.201 25716 859 1 2 . 1 1 65 65 ILE C C 65 172.049 172.049 175.598 -3.549 25716 860 1 2 . 1 1 65 65 ILE CA C 65 60.576 60.576 61.165 -0.589 25716 861 1 2 . 1 1 65 65 ILE CB C 65 35.561 35.561 35.277 0.284 25716 862 1 2 . 1 1 65 65 ILE H H 65 7.223 7.223 7.408 -0.185 25716 863 1 2 . 1 1 66 66 THR N N 66 114.529 114.529 121.056 -6.527 25716 864 1 2 . 1 1 66 66 THR HA H 66 4.635 4.635 4.548 0.087 25716 865 1 2 . 1 1 66 66 THR C C 66 172.176 172.176 175.823 -3.647 25716 866 1 2 . 1 1 66 66 THR CA C 66 59.827 59.827 60.183 -0.356 25716 867 1 2 . 1 1 66 66 THR CB C 66 70.679 70.679 71.577 -0.898 25716 868 1 2 . 1 1 66 66 THR H H 66 7.943 7.943 7.906 0.037 25716 869 1 2 . 1 1 67 67 GLY N N 67 109.454 109.454 109.950 -0.496 25716 870 1 2 . 1 1 67 67 GLY C C 67 172.080 172.080 175.845 -3.765 25716 871 1 2 . 1 1 67 67 GLY CA C 67 47.245 47.245 46.922 0.323 25716 872 1 2 . 1 1 67 67 GLY H H 67 8.736 8.736 8.804 -0.068 25716 873 1 2 . 1 1 68 68 LYS N N 68 118.551 118.551 122.055 -3.504 25716 874 1 2 . 1 1 68 68 LYS HA H 68 3.851 3.851 3.913 -0.062 25716 875 1 2 . 1 1 68 68 LYS C C 68 174.455 174.455 178.356 -3.901 25716 876 1 2 . 1 1 68 68 LYS CA C 68 58.697 58.697 58.739 -0.042 25716 877 1 2 . 1 1 68 68 LYS CB C 68 32.350 32.350 31.761 0.589 25716 878 1 2 . 1 1 68 68 LYS H H 68 7.968 7.968 7.920 0.048 25716 879 1 2 . 1 1 69 69 TYR N N 69 115.203 115.203 115.527 -0.324 25716 880 1 2 . 1 1 69 69 TYR HA H 69 4.213 4.213 4.464 -0.251 25716 881 1 2 . 1 1 69 69 TYR C C 69 171.772 171.772 175.132 -3.360 25716 882 1 2 . 1 1 69 69 TYR CA C 69 59.212 59.212 57.003 2.209 25716 883 1 2 . 1 1 69 69 TYR CB C 69 38.555 38.555 38.492 0.063 25716 884 1 2 . 1 1 69 69 TYR H H 69 6.826 6.826 7.490 -0.664 25716 885 1 2 . 1 1 70 70 PHE N N 70 112.140 112.140 115.227 -3.087 25716 886 1 2 . 1 1 70 70 PHE HA H 70 4.629 4.629 4.831 -0.202 25716 887 1 2 . 1 1 70 70 PHE C C 70 171.998 171.998 175.682 -3.684 25716 888 1 2 . 1 1 70 70 PHE CA C 70 57.245 57.245 57.675 -0.430 25716 889 1 2 . 1 1 70 70 PHE CB C 70 40.329 40.329 40.126 0.203 25716 890 1 2 . 1 1 70 70 PHE H H 70 7.327 7.327 7.611 -0.284 25716 891 1 2 . 1 1 71 71 LYS N N 71 113.603 113.603 120.701 -7.098 25716 892 1 2 . 1 1 71 71 LYS HA H 71 3.875 3.875 4.138 -0.263 25716 893 1 2 . 1 1 71 71 LYS C C 71 172.963 172.963 175.714 -2.751 25716 894 1 2 . 1 1 71 71 LYS CA C 71 59.667 59.667 59.170 0.497 25716 895 1 2 . 1 1 71 71 LYS CB C 71 33.074 33.074 32.568 0.506 25716 896 1 2 . 1 1 71 71 LYS H H 71 6.925 6.925 7.777 -0.852 25716 897 1 2 . 1 1 72 72 ASP N N 72 110.434 110.434 115.825 -5.391 25716 898 1 2 . 1 1 72 72 ASP HA H 72 4.441 4.441 4.849 -0.408 25716 899 1 2 . 1 1 72 72 ASP C C 72 172.750 172.750 175.150 -2.400 25716 900 1 2 . 1 1 72 72 ASP CA C 72 52.378 52.378 52.269 0.109 25716 901 1 2 . 1 1 72 72 ASP CB C 72 42.426 42.426 43.914 -1.488 25716 902 1 2 . 1 1 72 72 ASP H H 72 7.363 7.363 7.476 -0.113 25716 903 1 2 . 1 1 73 73 LEU N N 73 120.273 120.273 119.524 0.749 25716 904 1 2 . 1 1 73 73 LEU HA H 73 3.920 3.920 4.102 -0.182 25716 905 1 2 . 1 1 73 73 LEU C C 73 176.648 176.648 177.882 -1.234 25716 906 1 2 . 1 1 73 73 LEU CA C 73 58.120 58.120 56.852 1.268 25716 907 1 2 . 1 1 73 73 LEU CB C 73 42.574 42.574 42.382 0.192 25716 908 1 2 . 1 1 73 73 LEU H H 73 9.983 9.983 8.277 1.706 25716 909 1 2 . 1 1 74 74 ASN N N 74 119.506 119.506 118.465 1.041 25716 910 1 2 . 1 1 74 74 ASN HA H 74 4.405 4.405 4.455 -0.050 25716 911 1 2 . 1 1 74 74 ASN C C 74 174.659 174.659 177.162 -2.503 25716 912 1 2 . 1 1 74 74 ASN CA C 74 56.287 56.287 56.563 -0.276 25716 913 1 2 . 1 1 74 74 ASN CB C 74 37.579 37.579 38.288 -0.709 25716 914 1 2 . 1 1 74 74 ASN H H 74 7.893 7.893 8.118 -0.225 25716 915 1 2 . 1 1 75 75 ALA N N 75 125.068 125.068 123.563 1.505 25716 916 1 2 . 1 1 75 75 ALA HA H 75 4.097 4.097 4.166 -0.069 25716 917 1 2 . 1 1 75 75 ALA C C 75 177.809 177.809 179.915 -2.106 25716 918 1 2 . 1 1 75 75 ALA CA C 75 55.365 55.365 54.818 0.547 25716 919 1 2 . 1 1 75 75 ALA CB C 75 18.572 18.572 18.244 0.328 25716 920 1 2 . 1 1 75 75 ALA H H 75 8.951 8.951 7.624 1.327 25716 921 1 2 . 1 1 76 76 ILE N N 76 119.561 119.561 118.425 1.136 25716 922 1 2 . 1 1 76 76 ILE HA H 76 3.615 3.615 3.761 -0.146 25716 923 1 2 . 1 1 76 76 ILE C C 76 175.344 175.344 178.153 -2.809 25716 924 1 2 . 1 1 76 76 ILE CA C 76 65.272 65.272 63.668 1.604 25716 925 1 2 . 1 1 76 76 ILE CB C 76 39.056 39.056 36.882 2.174 25716 926 1 2 . 1 1 76 76 ILE H H 76 8.386 8.386 7.733 0.653 25716 927 1 2 . 1 1 77 77 SER N N 77 114.090 114.090 115.635 -1.545 25716 928 1 2 . 1 1 77 77 SER HA H 77 3.878 3.878 4.168 -0.290 25716 929 1 2 . 1 1 77 77 SER C C 77 173.592 173.592 176.735 -3.143 25716 930 1 2 . 1 1 77 77 SER CA C 77 62.733 62.733 61.788 0.945 25716 931 1 2 . 1 1 77 77 SER CB C 77 62.864 62.864 63.394 -0.530 25716 932 1 2 . 1 1 77 77 SER H H 77 8.250 8.250 7.836 0.414 25716 933 1 2 . 1 1 78 78 ARG N N 78 121.670 121.670 120.289 1.381 25716 934 1 2 . 1 1 78 78 ARG HA H 78 4.129 4.129 4.061 0.068 25716 935 1 2 . 1 1 78 78 ARG C C 78 176.111 176.111 178.311 -2.200 25716 936 1 2 . 1 1 78 78 ARG CA C 78 59.328 59.328 59.314 0.014 25716 937 1 2 . 1 1 78 78 ARG CB C 78 29.814 29.814 29.374 0.440 25716 938 1 2 . 1 1 78 78 ARG H H 78 8.086 8.086 8.106 -0.020 25716 939 1 2 . 1 1 79 79 THR N N 79 118.928 118.928 114.313 4.615 25716 940 1 2 . 1 1 79 79 THR HA H 79 4.525 4.525 4.063 0.462 25716 941 1 2 . 1 1 79 79 THR C C 79 173.364 173.364 176.106 -2.742 25716 942 1 2 . 1 1 79 79 THR CA C 79 68.289 68.289 64.244 4.045 25716 943 1 2 . 1 1 79 79 THR CB C 79 67.268 67.268 68.504 -1.236 25716 944 1 2 . 1 1 79 79 THR H H 79 8.351 8.351 7.347 1.004 25716 945 1 2 . 1 1 80 80 VAL N N 80 120.643 120.643 122.871 -2.228 25716 946 1 2 . 1 1 80 80 VAL HA H 80 3.339 3.339 3.388 -0.049 25716 947 1 2 . 1 1 80 80 VAL C C 80 174.438 174.438 177.506 -3.068 25716 948 1 2 . 1 1 80 80 VAL CA C 80 67.603 67.603 66.989 0.614 25716 949 1 2 . 1 1 80 80 VAL CB C 80 31.532 31.532 31.663 -0.131 25716 950 1 2 . 1 1 80 80 VAL H H 80 8.242 8.242 7.568 0.674 25716 951 1 2 . 1 1 81 81 GLU N N 81 118.067 118.067 117.310 0.757 25716 952 1 2 . 1 1 81 81 GLU HA H 81 3.943 3.943 3.900 0.043 25716 953 1 2 . 1 1 81 81 GLU C C 81 176.961 176.961 179.124 -2.163 25716 954 1 2 . 1 1 81 81 GLU CA C 81 59.974 59.974 59.162 0.812 25716 955 1 2 . 1 1 81 81 GLU CB C 81 29.817 29.817 28.630 1.187 25716 956 1 2 . 1 1 81 81 GLU H H 81 8.296 8.296 7.749 0.547 25716 957 1 2 . 1 1 82 82 GLN N N 82 119.947 119.947 119.453 0.494 25716 958 1 2 . 1 1 82 82 GLN HA H 82 4.110 4.110 4.131 -0.021 25716 959 1 2 . 1 1 82 82 GLN C C 82 176.023 176.023 178.451 -2.428 25716 960 1 2 . 1 1 82 82 GLN CA C 82 58.991 58.991 58.324 0.667 25716 961 1 2 . 1 1 82 82 GLN CB C 82 28.136 28.136 28.692 -0.556 25716 962 1 2 . 1 1 82 82 GLN H H 82 8.444 8.444 7.356 1.088 25716 963 1 2 . 1 1 83 83 LEU N N 83 119.916 119.916 120.286 -0.370 25716 964 1 2 . 1 1 83 83 LEU HA H 83 4.075 4.075 4.134 -0.059 25716 965 1 2 . 1 1 83 83 LEU C C 83 177.753 177.753 179.464 -1.711 25716 966 1 2 . 1 1 83 83 LEU CA C 83 57.453 57.453 57.393 0.060 25716 967 1 2 . 1 1 83 83 LEU CB C 83 41.673 41.673 41.511 0.162 25716 968 1 2 . 1 1 83 83 LEU H H 83 8.149 8.149 8.235 -0.086 25716 969 1 2 . 1 1 84 84 LYS N N 84 121.059 121.059 119.267 1.792 25716 970 1 2 . 1 1 84 84 LYS HA H 84 3.951 3.951 3.917 0.034 25716 971 1 2 . 1 1 84 84 LYS C C 84 176.055 176.055 178.783 -2.728 25716 972 1 2 . 1 1 84 84 LYS CA C 84 59.328 59.328 59.454 -0.126 25716 973 1 2 . 1 1 84 84 LYS CB C 84 32.291 32.291 32.235 0.056 25716 974 1 2 . 1 1 84 84 LYS H H 84 8.373 8.373 8.150 0.223 25716 975 1 2 . 1 1 85 85 ALA N N 85 122.134 122.134 122.038 0.096 25716 976 1 2 . 1 1 85 85 ALA HA H 85 4.188 4.188 4.102 0.086 25716 977 1 2 . 1 1 85 85 ALA C C 85 177.240 177.240 179.711 -2.471 25716 978 1 2 . 1 1 85 85 ALA CA C 85 54.423 54.423 54.996 -0.573 25716 979 1 2 . 1 1 85 85 ALA CB C 85 18.193 18.193 18.237 -0.044 25716 980 1 2 . 1 1 85 85 ALA H H 85 7.854 7.854 7.448 0.406 25716 981 1 2 . 1 1 86 86 GLU N N 86 117.813 117.813 118.303 -0.490 25716 982 1 2 . 1 1 86 86 GLU HA H 86 4.115 4.115 3.911 0.204 25716 983 1 2 . 1 1 86 86 GLU C C 86 175.547 175.547 179.106 -3.559 25716 984 1 2 . 1 1 86 86 GLU CA C 86 58.199 58.199 58.981 -0.782 25716 985 1 2 . 1 1 86 86 GLU CB C 86 29.841 29.841 29.480 0.361 25716 986 1 2 . 1 1 86 86 GLU H H 86 8.059 8.059 8.075 -0.016 25716 987 1 2 . 1 1 87 87 SER N N 87 114.771 114.771 114.699 0.072 25716 988 1 2 . 1 1 87 87 SER HA H 87 4.362 4.362 4.239 0.123 25716 989 1 2 . 1 1 87 87 SER C C 87 172.405 172.405 175.813 -3.408 25716 990 1 2 . 1 1 87 87 SER CA C 87 59.806 59.806 60.842 -1.036 25716 991 1 2 . 1 1 87 87 SER CB C 87 63.528 63.528 63.128 0.400 25716 992 1 2 . 1 1 87 87 SER H H 87 7.908 7.908 8.084 -0.176 25716 993 1 2 . 1 1 88 88 ALA N N 88 124.277 124.277 122.607 1.670 25716 994 1 2 . 1 1 88 88 ALA HA H 88 4.284 4.284 4.187 0.097 25716 995 1 2 . 1 1 88 88 ALA C C 88 175.489 175.489 178.726 -3.237 25716 996 1 2 . 1 1 88 88 ALA CA C 88 53.087 53.087 54.167 -1.080 25716 997 1 2 . 1 1 88 88 ALA CB C 88 18.792 18.792 19.033 -0.241 25716 998 1 2 . 1 1 88 88 ALA H H 88 7.812 7.812 7.510 0.302 25716 999 1 2 . 1 1 89 89 LEU N N 89 119.411 119.411 118.179 1.232 25716 1000 1 2 . 1 1 89 89 LEU HA H 89 4.219 4.219 4.333 -0.114 25716 1001 1 2 . 1 1 89 89 LEU C C 89 175.025 175.025 177.997 -2.972 25716 1002 1 2 . 1 1 89 89 LEU CA C 89 55.608 55.608 55.283 0.325 25716 1003 1 2 . 1 1 89 89 LEU CB C 89 42.213 42.213 42.408 -0.195 25716 1004 1 2 . 1 1 89 89 LEU H H 89 7.769 7.769 7.625 0.144 25716 1005 1 3 . 1 1 2 2 ASP HA H 2 4.704 4.704 4.811 -0.107 25716 1006 1 3 . 1 1 2 2 ASP C C 2 173.822 173.822 174.539 -0.717 25716 1007 1 3 . 1 1 2 2 ASP CA C 2 54.130 54.130 54.066 0.064 25716 1008 1 3 . 1 1 2 2 ASP CB C 2 41.601 41.601 43.987 -2.386 25716 1009 1 3 . 1 1 3 3 GLY N N 3 109.376 109.376 108.835 0.541 25716 1010 1 3 . 1 1 3 3 GLY C C 3 172.786 172.786 175.541 -2.755 25716 1011 1 3 . 1 1 3 3 GLY CA C 3 46.704 46.704 45.920 0.784 25716 1012 1 3 . 1 1 3 3 GLY H H 3 8.712 8.712 8.721 -0.009 25716 1013 1 3 . 1 1 4 4 GLU N N 4 120.623 120.623 120.530 0.093 25716 1014 1 3 . 1 1 4 4 GLU HA H 4 4.207 4.207 4.082 0.125 25716 1015 1 3 . 1 1 4 4 GLU C C 4 175.198 175.198 178.527 -3.329 25716 1016 1 3 . 1 1 4 4 GLU CA C 4 58.159 58.159 58.689 -0.530 25716 1017 1 3 . 1 1 4 4 GLU CB C 4 29.793 29.793 29.146 0.647 25716 1018 1 3 . 1 1 4 4 GLU H H 4 8.280 8.280 8.868 -0.588 25716 1019 1 3 . 1 1 5 5 GLU N N 5 121.684 121.684 119.645 2.039 25716 1020 1 3 . 1 1 5 5 GLU HA H 5 4.173 4.173 4.124 0.049 25716 1021 1 3 . 1 1 5 5 GLU C C 5 175.720 175.720 178.652 -2.932 25716 1022 1 3 . 1 1 5 5 GLU CA C 5 58.648 58.648 58.840 -0.192 25716 1023 1 3 . 1 1 5 5 GLU CB C 5 29.819 29.819 29.328 0.491 25716 1024 1 3 . 1 1 5 5 GLU H H 5 8.254 8.254 8.688 -0.434 25716 1025 1 3 . 1 1 6 6 VAL N N 6 120.195 120.195 119.698 0.497 25716 1026 1 3 . 1 1 6 6 VAL HA H 6 3.594 3.594 3.810 -0.216 25716 1027 1 3 . 1 1 6 6 VAL C C 6 174.638 174.638 177.429 -2.791 25716 1028 1 3 . 1 1 6 6 VAL CA C 6 66.621 66.621 65.308 1.312 25716 1029 1 3 . 1 1 6 6 VAL CB C 6 32.041 32.041 31.318 0.723 25716 1030 1 3 . 1 1 6 6 VAL H H 6 8.137 8.137 7.666 0.471 25716 1031 1 3 . 1 1 7 7 LYS N N 7 118.688 118.688 119.874 -1.186 25716 1032 1 3 . 1 1 7 7 LYS HA H 7 3.776 3.776 3.944 -0.168 25716 1033 1 3 . 1 1 7 7 LYS C C 7 175.192 175.192 178.926 -3.734 25716 1034 1 3 . 1 1 7 7 LYS CA C 7 60.903 60.903 60.550 0.353 25716 1035 1 3 . 1 1 7 7 LYS CB C 7 32.251 32.251 32.379 -0.128 25716 1036 1 3 . 1 1 7 7 LYS H H 7 8.099 8.099 7.505 0.594 25716 1037 1 3 . 1 1 8 8 GLU N N 8 117.138 117.138 118.474 -1.336 25716 1038 1 3 . 1 1 8 8 GLU HA H 8 4.188 4.188 4.084 0.104 25716 1039 1 3 . 1 1 8 8 GLU C C 8 176.405 176.405 178.929 -2.524 25716 1040 1 3 . 1 1 8 8 GLU CA C 8 58.635 58.635 59.305 -0.670 25716 1041 1 3 . 1 1 8 8 GLU CB C 8 29.149 29.149 28.667 0.482 25716 1042 1 3 . 1 1 8 8 GLU H H 8 7.875 7.875 8.234 -0.359 25716 1043 1 3 . 1 1 9 9 LYS N N 9 119.639 119.639 120.382 -0.743 25716 1044 1 3 . 1 1 9 9 LYS HA H 9 4.072 4.072 4.170 -0.098 25716 1045 1 3 . 1 1 9 9 LYS C C 9 177.376 177.376 179.204 -1.828 25716 1046 1 3 . 1 1 9 9 LYS CA C 9 59.994 59.994 59.587 0.407 25716 1047 1 3 . 1 1 9 9 LYS CB C 9 32.471 32.471 32.558 -0.087 25716 1048 1 3 . 1 1 9 9 LYS H H 9 8.102 8.102 7.327 0.775 25716 1049 1 3 . 1 1 10 10 ILE N N 10 119.456 119.456 119.146 0.310 25716 1050 1 3 . 1 1 10 10 ILE HA H 10 3.713 3.713 3.803 -0.090 25716 1051 1 3 . 1 1 10 10 ILE C C 10 174.153 174.153 177.662 -3.509 25716 1052 1 3 . 1 1 10 10 ILE CA C 10 65.549 65.549 64.854 0.695 25716 1053 1 3 . 1 1 10 10 ILE CB C 10 37.522 37.522 37.988 -0.466 25716 1054 1 3 . 1 1 10 10 ILE H H 10 8.210 8.210 8.093 0.117 25716 1055 1 3 . 1 1 11 11 ARG N N 11 121.172 121.172 119.810 1.362 25716 1056 1 3 . 1 1 11 11 ARG HA H 11 3.608 3.608 3.987 -0.379 25716 1057 1 3 . 1 1 11 11 ARG C C 11 174.925 174.925 178.420 -3.495 25716 1058 1 3 . 1 1 11 11 ARG CA C 11 60.617 60.617 58.862 1.754 25716 1059 1 3 . 1 1 11 11 ARG CB C 11 30.480 30.480 29.452 1.028 25716 1060 1 3 . 1 1 11 11 ARG H H 11 8.851 8.851 8.333 0.518 25716 1061 1 3 . 1 1 12 12 ARG N N 12 116.578 116.578 119.963 -3.385 25716 1062 1 3 . 1 1 12 12 ARG HA H 12 3.935 3.935 4.090 -0.155 25716 1063 1 3 . 1 1 12 12 ARG C C 12 174.817 174.817 178.328 -3.511 25716 1064 1 3 . 1 1 12 12 ARG CA C 12 59.162 59.162 58.900 0.262 25716 1065 1 3 . 1 1 12 12 ARG CB C 12 29.476 29.476 29.669 -0.193 25716 1066 1 3 . 1 1 12 12 ARG H H 12 8.126 8.126 7.981 0.145 25716 1067 1 3 . 1 1 13 13 TYR N N 13 119.994 119.994 120.910 -0.916 25716 1068 1 3 . 1 1 13 13 TYR HA H 13 4.047 4.047 4.086 -0.039 25716 1069 1 3 . 1 1 13 13 TYR C C 13 175.273 175.273 177.749 -2.476 25716 1070 1 3 . 1 1 13 13 TYR CA C 13 61.856 61.856 60.938 0.918 25716 1071 1 3 . 1 1 13 13 TYR CB C 13 38.459 38.459 37.810 0.649 25716 1072 1 3 . 1 1 13 13 TYR H H 13 7.758 7.758 7.638 0.120 25716 1073 1 3 . 1 1 14 14 ILE N N 14 117.754 117.754 119.364 -1.610 25716 1074 1 3 . 1 1 14 14 ILE HA H 14 3.239 3.239 3.415 -0.176 25716 1075 1 3 . 1 1 14 14 ILE C C 14 175.425 175.425 177.219 -1.794 25716 1076 1 3 . 1 1 14 14 ILE CA C 14 65.826 65.826 65.579 0.247 25716 1077 1 3 . 1 1 14 14 ILE CB C 14 37.782 37.782 37.701 0.081 25716 1078 1 3 . 1 1 14 14 ILE H H 14 8.464 8.464 8.508 -0.044 25716 1079 1 3 . 1 1 15 15 MET N N 15 116.173 116.173 116.895 -0.722 25716 1080 1 3 . 1 1 15 15 MET HA H 15 3.939 3.939 4.129 -0.190 25716 1081 1 3 . 1 1 15 15 MET C C 15 174.676 174.676 177.915 -3.239 25716 1082 1 3 . 1 1 15 15 MET CA C 15 59.276 59.276 58.666 0.610 25716 1083 1 3 . 1 1 15 15 MET CB C 15 32.885 32.885 32.304 0.581 25716 1084 1 3 . 1 1 15 15 MET H H 15 8.265 8.265 7.451 0.814 25716 1085 1 3 . 1 1 16 16 GLU N N 16 116.398 116.398 118.273 -1.875 25716 1086 1 3 . 1 1 16 16 GLU HA H 16 3.980 3.980 4.099 -0.119 25716 1087 1 3 . 1 1 16 16 GLU C C 16 175.158 175.158 178.369 -3.211 25716 1088 1 3 . 1 1 16 16 GLU CA C 16 58.767 58.767 58.555 0.212 25716 1089 1 3 . 1 1 16 16 GLU CB C 16 30.078 30.078 29.478 0.600 25716 1090 1 3 . 1 1 16 16 GLU H H 16 8.619 8.619 7.364 1.255 25716 1091 1 3 . 1 1 17 17 ASP N N 17 116.973 116.973 118.633 -1.660 25716 1092 1 3 . 1 1 17 17 ASP HA H 17 4.591 4.591 4.443 0.148 25716 1093 1 3 . 1 1 17 17 ASP C C 17 174.240 174.240 177.901 -3.661 25716 1094 1 3 . 1 1 17 17 ASP CA C 17 55.438 55.438 55.571 -0.133 25716 1095 1 3 . 1 1 17 17 ASP CB C 17 42.657 42.657 41.184 1.473 25716 1096 1 3 . 1 1 17 17 ASP H H 17 8.119 8.119 7.874 0.245 25716 1097 1 3 . 1 1 18 18 LEU N N 18 115.667 115.667 120.154 -4.487 25716 1098 1 3 . 1 1 18 18 LEU HA H 18 4.488 4.488 4.112 0.376 25716 1099 1 3 . 1 1 18 18 LEU C C 18 175.062 175.062 177.303 -2.241 25716 1100 1 3 . 1 1 18 18 LEU CA C 18 56.075 56.075 56.768 -0.693 25716 1101 1 3 . 1 1 18 18 LEU CB C 18 41.096 41.096 42.718 -1.622 25716 1102 1 3 . 1 1 18 18 LEU H H 18 7.162 7.162 7.231 -0.069 25716 1103 1 3 . 1 1 19 19 ILE N N 19 120.763 120.763 115.347 5.416 25716 1104 1 3 . 1 1 19 19 ILE HA H 19 3.979 3.979 4.338 -0.359 25716 1105 1 3 . 1 1 19 19 ILE C C 19 174.557 174.557 175.794 -1.237 25716 1106 1 3 . 1 1 19 19 ILE CA C 19 63.809 63.809 60.652 3.157 25716 1107 1 3 . 1 1 19 19 ILE CB C 19 38.044 38.044 41.135 -3.091 25716 1108 1 3 . 1 1 19 19 ILE H H 19 8.017 8.017 7.769 0.248 25716 1109 1 3 . 1 1 20 20 GLY N N 20 108.619 108.619 109.537 -0.918 25716 1110 1 3 . 1 1 20 20 GLY CA C 20 44.560 44.560 45.125 -0.565 25716 1111 1 3 . 1 1 20 20 GLY H H 20 8.126 8.126 8.443 -0.317 25716 1112 1 3 . 1 1 21 21 PRO HA H 21 4.385 4.385 4.533 -0.148 25716 1113 1 3 . 1 1 21 21 PRO C C 21 174.855 174.855 176.949 -2.094 25716 1114 1 3 . 1 1 21 21 PRO CA C 21 64.406 64.406 63.677 0.729 25716 1115 1 3 . 1 1 21 21 PRO CB C 21 32.027 32.027 32.014 0.013 25716 1116 1 3 . 1 1 22 22 SER N N 22 114.165 114.165 115.097 -0.932 25716 1117 1 3 . 1 1 22 22 SER HA H 22 4.394 4.394 4.477 -0.083 25716 1118 1 3 . 1 1 22 22 SER C C 22 171.708 171.708 173.752 -2.044 25716 1119 1 3 . 1 1 22 22 SER CA C 22 58.871 58.871 57.956 0.915 25716 1120 1 3 . 1 1 22 22 SER CB C 22 63.473 63.473 63.019 0.454 25716 1121 1 3 . 1 1 22 22 SER H H 22 8.279 8.279 8.047 0.232 25716 1122 1 3 . 1 1 23 23 ALA N N 23 125.151 125.151 122.864 2.287 25716 1123 1 3 . 1 1 23 23 ALA HA H 23 4.250 4.250 4.619 -0.369 25716 1124 1 3 . 1 1 23 23 ALA C C 23 174.903 174.903 175.594 -0.691 25716 1125 1 3 . 1 1 23 23 ALA CA C 23 52.851 52.851 51.588 1.263 25716 1126 1 3 . 1 1 23 23 ALA CB C 23 19.376 19.376 19.682 -0.306 25716 1127 1 3 . 1 1 23 23 ALA H H 23 8.040 8.040 7.340 0.700 25716 1128 1 3 . 1 1 24 24 LYS N N 24 120.823 120.823 122.682 -1.859 25716 1129 1 3 . 1 1 24 24 LYS HA H 24 4.346 4.346 4.209 0.137 25716 1130 1 3 . 1 1 24 24 LYS C C 24 174.522 174.522 178.056 -3.534 25716 1131 1 3 . 1 1 24 24 LYS CA C 24 55.938 55.938 56.380 -0.442 25716 1132 1 3 . 1 1 24 24 LYS CB C 24 33.187 33.187 33.185 0.002 25716 1133 1 3 . 1 1 24 24 LYS H H 24 8.306 8.306 8.147 0.159 25716 1134 1 3 . 1 1 25 25 GLU N N 25 121.186 121.186 121.273 -0.087 25716 1135 1 3 . 1 1 25 25 GLU HA H 25 4.114 4.114 3.984 0.130 25716 1136 1 3 . 1 1 25 25 GLU C C 25 173.808 173.808 176.249 -2.441 25716 1137 1 3 . 1 1 25 25 GLU CA C 25 58.023 58.023 59.619 -1.596 25716 1138 1 3 . 1 1 25 25 GLU CB C 25 29.769 29.769 29.712 0.057 25716 1139 1 3 . 1 1 25 25 GLU H H 25 8.569 8.569 8.943 -0.374 25716 1140 1 3 . 1 1 26 26 ASP N N 26 117.111 117.111 114.980 2.131 25716 1141 1 3 . 1 1 26 26 ASP HA H 26 4.569 4.569 4.825 -0.256 25716 1142 1 3 . 1 1 26 26 ASP C C 26 173.265 173.265 175.606 -2.341 25716 1143 1 3 . 1 1 26 26 ASP CA C 26 54.061 54.061 53.769 0.292 25716 1144 1 3 . 1 1 26 26 ASP CB C 26 40.742 40.742 40.786 -0.044 25716 1145 1 3 . 1 1 26 26 ASP H H 26 8.139 8.139 8.070 0.069 25716 1146 1 3 . 1 1 27 27 GLU N N 27 118.932 118.932 120.293 -1.361 25716 1147 1 3 . 1 1 27 27 GLU HA H 27 4.239 4.239 4.333 -0.094 25716 1148 1 3 . 1 1 27 27 GLU C C 27 172.838 172.838 176.962 -4.124 25716 1149 1 3 . 1 1 27 27 GLU CA C 27 56.645 56.645 57.855 -1.210 25716 1150 1 3 . 1 1 27 27 GLU CB C 27 30.703 30.703 30.421 0.282 25716 1151 1 3 . 1 1 27 27 GLU H H 27 7.859 7.859 8.218 -0.359 25716 1152 1 3 . 1 1 28 28 LEU N N 28 121.726 121.726 119.992 1.734 25716 1153 1 3 . 1 1 28 28 LEU HA H 28 4.570 4.570 3.882 0.688 25716 1154 1 3 . 1 1 28 28 LEU C C 28 172.438 172.438 175.824 -3.386 25716 1155 1 3 . 1 1 28 28 LEU CA C 28 54.503 54.503 55.325 -0.822 25716 1156 1 3 . 1 1 28 28 LEU CB C 28 43.342 43.342 42.318 1.024 25716 1157 1 3 . 1 1 28 28 LEU H H 28 7.671 7.671 8.022 -0.351 25716 1158 1 3 . 1 1 29 29 ASP N N 29 126.685 126.685 121.795 4.890 25716 1159 1 3 . 1 1 29 29 ASP HA H 29 4.822 4.822 4.743 0.079 25716 1160 1 3 . 1 1 29 29 ASP C C 29 173.732 173.732 176.918 -3.186 25716 1161 1 3 . 1 1 29 29 ASP CA C 29 52.855 52.855 52.846 0.009 25716 1162 1 3 . 1 1 29 29 ASP CB C 29 43.124 43.124 44.109 -0.985 25716 1163 1 3 . 1 1 29 29 ASP H H 29 8.950 8.950 7.932 1.018 25716 1164 1 3 . 1 1 30 30 ASP N N 30 120.317 120.317 119.844 0.473 25716 1165 1 3 . 1 1 30 30 ASP HA H 30 4.247 4.247 4.381 -0.134 25716 1166 1 3 . 1 1 30 30 ASP C C 30 172.143 172.143 176.430 -4.287 25716 1167 1 3 . 1 1 30 30 ASP CA C 30 57.352 57.352 56.685 0.667 25716 1168 1 3 . 1 1 30 30 ASP CB C 30 40.160 40.160 41.399 -1.239 25716 1169 1 3 . 1 1 30 30 ASP H H 30 8.500 8.500 8.662 -0.162 25716 1170 1 3 . 1 1 31 31 GLN N N 31 111.109 111.109 115.640 -4.531 25716 1171 1 3 . 1 1 31 31 GLN HA H 31 4.590 4.590 4.770 -0.180 25716 1172 1 3 . 1 1 31 31 GLN C C 31 174.343 174.343 175.644 -1.301 25716 1173 1 3 . 1 1 31 31 GLN CA C 31 54.437 54.437 54.542 -0.105 25716 1174 1 3 . 1 1 31 31 GLN CB C 31 30.038 30.038 29.930 0.108 25716 1175 1 3 . 1 1 31 31 GLN H H 31 8.234 8.234 7.814 0.420 25716 1176 1 3 . 1 1 32 32 THR N N 32 123.333 123.333 119.829 3.504 25716 1177 1 3 . 1 1 32 32 THR HA H 32 3.856 3.856 4.238 -0.382 25716 1178 1 3 . 1 1 32 32 THR CA C 32 62.805 62.805 63.362 -0.557 25716 1179 1 3 . 1 1 32 32 THR CB C 32 69.907 69.907 68.774 1.133 25716 1180 1 3 . 1 1 32 32 THR H H 32 7.663 7.663 7.375 0.288 25716 1181 1 3 . 1 1 33 33 PRO HA H 33 4.823 4.823 4.698 0.125 25716 1182 1 3 . 1 1 33 33 PRO C C 33 172.190 172.190 177.386 -5.196 25716 1183 1 3 . 1 1 33 33 PRO CA C 33 61.670 61.670 62.908 -1.238 25716 1184 1 3 . 1 1 33 33 PRO CB C 33 29.880 29.880 31.628 -1.748 25716 1185 1 3 . 1 1 34 34 LEU N N 34 126.562 126.562 124.180 2.382 25716 1186 1 3 . 1 1 34 34 LEU HA H 34 3.820 3.820 3.805 0.015 25716 1187 1 3 . 1 1 34 34 LEU C C 34 176.590 176.590 178.436 -1.846 25716 1188 1 3 . 1 1 34 34 LEU CA C 34 57.808 57.808 57.892 -0.084 25716 1189 1 3 . 1 1 34 34 LEU CB C 34 42.569 42.569 41.513 1.056 25716 1190 1 3 . 1 1 34 34 LEU H H 34 7.988 7.988 8.125 -0.137 25716 1191 1 3 . 1 1 35 35 LEU N N 35 117.687 117.687 117.505 0.182 25716 1192 1 3 . 1 1 35 35 LEU HA H 35 4.539 4.539 4.118 0.421 25716 1193 1 3 . 1 1 35 35 LEU C C 35 178.411 178.411 179.476 -1.065 25716 1194 1 3 . 1 1 35 35 LEU CA C 35 56.531 56.531 57.258 -0.727 25716 1195 1 3 . 1 1 35 35 LEU CB C 35 41.338 41.338 41.619 -0.281 25716 1196 1 3 . 1 1 35 35 LEU H H 35 8.184 8.184 7.426 0.758 25716 1197 1 3 . 1 1 36 36 GLU N N 36 121.488 121.488 120.146 1.342 25716 1198 1 3 . 1 1 36 36 GLU HA H 36 4.118 4.118 4.173 -0.055 25716 1199 1 3 . 1 1 36 36 GLU C C 36 175.984 175.984 178.232 -2.248 25716 1200 1 3 . 1 1 36 36 GLU CA C 36 59.264 59.264 59.099 0.165 25716 1201 1 3 . 1 1 36 36 GLU CB C 36 29.608 29.608 29.376 0.232 25716 1202 1 3 . 1 1 36 36 GLU H H 36 7.857 7.857 8.053 -0.196 25716 1203 1 3 . 1 1 37 37 TRP N N 37 115.319 115.319 117.631 -2.312 25716 1204 1 3 . 1 1 37 37 TRP HA H 37 4.950 4.950 4.637 0.313 25716 1205 1 3 . 1 1 37 37 TRP C C 37 174.270 174.270 177.156 -2.886 25716 1206 1 3 . 1 1 37 37 TRP CA C 37 56.075 56.075 58.714 -2.639 25716 1207 1 3 . 1 1 37 37 TRP CB C 37 29.050 29.050 29.710 -0.660 25716 1208 1 3 . 1 1 37 37 TRP H H 37 8.180 8.180 8.036 0.144 25716 1209 1 3 . 1 1 38 38 GLY N N 38 106.793 106.793 107.419 -0.626 25716 1210 1 3 . 1 1 38 38 GLY C C 38 171.784 171.784 175.575 -3.791 25716 1211 1 3 . 1 1 38 38 GLY CA C 38 46.275 46.275 46.080 0.195 25716 1212 1 3 . 1 1 38 38 GLY H H 38 7.704 7.704 7.647 0.057 25716 1213 1 3 . 1 1 39 39 ILE N N 39 120.597 120.597 113.699 6.898 25716 1214 1 3 . 1 1 39 39 ILE HA H 39 3.753 3.753 4.250 -0.497 25716 1215 1 3 . 1 1 39 39 ILE C C 39 174.148 174.148 175.230 -1.082 25716 1216 1 3 . 1 1 39 39 ILE CA C 39 63.934 63.934 61.905 2.029 25716 1217 1 3 . 1 1 39 39 ILE CB C 39 38.673 38.673 38.506 0.167 25716 1218 1 3 . 1 1 39 39 ILE H H 39 7.697 7.697 7.661 0.036 25716 1219 1 3 . 1 1 40 40 LEU N N 40 115.102 115.102 122.223 -7.121 25716 1220 1 3 . 1 1 40 40 LEU HA H 40 4.934 4.934 4.475 0.459 25716 1221 1 3 . 1 1 40 40 LEU C C 40 172.286 172.286 175.487 -3.201 25716 1222 1 3 . 1 1 40 40 LEU CA C 40 52.249 52.249 54.035 -1.786 25716 1223 1 3 . 1 1 40 40 LEU CB C 40 43.454 43.454 40.953 2.501 25716 1224 1 3 . 1 1 40 40 LEU H H 40 7.307 7.307 7.616 -0.309 25716 1225 1 3 . 1 1 41 41 ASN N N 41 117.306 117.306 121.959 -4.653 25716 1226 1 3 . 1 1 41 41 ASN HA H 41 4.589 4.589 4.872 -0.283 25716 1227 1 3 . 1 1 41 41 ASN C C 41 171.807 171.807 174.878 -3.071 25716 1228 1 3 . 1 1 41 41 ASN CA C 41 52.017 52.017 52.438 -0.421 25716 1229 1 3 . 1 1 41 41 ASN CB C 41 39.872 39.872 41.289 -1.417 25716 1230 1 3 . 1 1 41 41 ASN H H 41 8.466 8.466 8.536 -0.070 25716 1231 1 3 . 1 1 42 42 SER N N 42 113.236 113.236 115.667 -2.431 25716 1232 1 3 . 1 1 42 42 SER HA H 42 4.116 4.116 4.327 -0.211 25716 1233 1 3 . 1 1 42 42 SER C C 42 171.631 171.631 176.037 -4.406 25716 1234 1 3 . 1 1 42 42 SER CA C 42 60.951 60.951 60.649 0.302 25716 1235 1 3 . 1 1 42 42 SER CB C 42 65.868 65.868 63.013 2.855 25716 1236 1 3 . 1 1 42 42 SER H H 42 9.138 9.138 8.606 0.532 25716 1237 1 3 . 1 1 43 43 MET N N 43 118.797 118.797 119.276 -0.479 25716 1238 1 3 . 1 1 43 43 MET HA H 43 4.467 4.467 4.404 0.063 25716 1239 1 3 . 1 1 43 43 MET CA C 43 57.429 57.429 57.575 -0.145 25716 1240 1 3 . 1 1 43 43 MET CB C 43 32.494 32.494 31.808 0.685 25716 1241 1 3 . 1 1 43 43 MET H H 43 8.292 8.292 8.195 0.097 25716 1242 1 3 . 1 1 44 44 ASN N N 44 117.701 117.701 118.524 -0.823 25716 1243 1 3 . 1 1 44 44 ASN HA H 44 4.686 4.686 4.618 0.068 25716 1244 1 3 . 1 1 44 44 ASN C C 44 175.889 175.889 177.039 -1.150 25716 1245 1 3 . 1 1 44 44 ASN CA C 44 53.826 53.826 55.202 -1.376 25716 1246 1 3 . 1 1 44 44 ASN CB C 44 38.484 38.484 38.101 0.383 25716 1247 1 3 . 1 1 44 44 ASN H H 44 8.299 8.299 7.870 0.429 25716 1248 1 3 . 1 1 45 45 ILE N N 45 122.124 122.124 121.634 0.490 25716 1249 1 3 . 1 1 45 45 ILE HA H 45 3.783 3.783 3.822 -0.039 25716 1250 1 3 . 1 1 45 45 ILE C C 45 174.370 174.370 177.050 -2.680 25716 1251 1 3 . 1 1 45 45 ILE CA C 45 64.892 64.892 64.110 0.782 25716 1252 1 3 . 1 1 45 45 ILE CB C 45 37.778 37.778 37.900 -0.122 25716 1253 1 3 . 1 1 45 45 ILE H H 45 8.417 8.417 7.808 0.609 25716 1254 1 3 . 1 1 46 46 VAL N N 46 120.176 120.176 118.629 1.547 25716 1255 1 3 . 1 1 46 46 VAL HA H 46 3.714 3.714 3.747 -0.033 25716 1256 1 3 . 1 1 46 46 VAL C C 46 175.129 175.129 177.738 -2.609 25716 1257 1 3 . 1 1 46 46 VAL CA C 46 66.227 66.227 66.919 -0.692 25716 1258 1 3 . 1 1 46 46 VAL CB C 46 31.294 31.294 31.317 -0.023 25716 1259 1 3 . 1 1 46 46 VAL H H 46 7.394 7.394 7.771 -0.377 25716 1260 1 3 . 1 1 47 47 LYS N N 47 118.640 118.640 119.230 -0.590 25716 1261 1 3 . 1 1 47 47 LYS HA H 47 4.005 4.005 4.201 -0.196 25716 1262 1 3 . 1 1 47 47 LYS CA C 47 60.033 60.033 59.375 0.658 25716 1263 1 3 . 1 1 47 47 LYS CB C 47 32.093 32.093 32.069 0.024 25716 1264 1 3 . 1 1 47 47 LYS H H 47 7.221 7.221 7.548 -0.327 25716 1265 1 3 . 1 1 48 48 LEU N N 48 119.812 119.812 120.996 -1.184 25716 1266 1 3 . 1 1 48 48 LEU HA H 48 4.261 4.261 4.125 0.136 25716 1267 1 3 . 1 1 48 48 LEU C C 48 175.105 175.105 178.590 -3.485 25716 1268 1 3 . 1 1 48 48 LEU CA C 48 57.717 57.717 58.049 -0.332 25716 1269 1 3 . 1 1 48 48 LEU CB C 48 41.683 41.683 41.926 -0.243 25716 1270 1 3 . 1 1 48 48 LEU H H 48 7.812 7.812 7.563 0.249 25716 1271 1 3 . 1 1 49 49 MET N N 49 118.031 118.031 117.914 0.117 25716 1272 1 3 . 1 1 49 49 MET HA H 49 3.919 3.919 4.037 -0.118 25716 1273 1 3 . 1 1 49 49 MET C C 49 176.673 176.673 179.021 -2.348 25716 1274 1 3 . 1 1 49 49 MET CA C 49 60.304 60.304 59.739 0.565 25716 1275 1 3 . 1 1 49 49 MET CB C 49 33.071 33.071 32.556 0.515 25716 1276 1 3 . 1 1 49 49 MET H H 49 8.583 8.583 7.937 0.646 25716 1277 1 3 . 1 1 50 50 VAL N N 50 122.370 122.370 115.410 6.960 25716 1278 1 3 . 1 1 50 50 VAL HA H 50 3.497 3.497 3.694 -0.197 25716 1279 1 3 . 1 1 50 50 VAL C C 50 173.639 173.639 177.358 -3.719 25716 1280 1 3 . 1 1 50 50 VAL CA C 50 67.182 67.182 65.808 1.374 25716 1281 1 3 . 1 1 50 50 VAL CB C 50 31.551 31.551 31.400 0.151 25716 1282 1 3 . 1 1 50 50 VAL H H 50 8.246 8.246 7.845 0.401 25716 1283 1 3 . 1 1 51 51 TYR N N 51 121.444 121.444 122.345 -0.901 25716 1284 1 3 . 1 1 51 51 TYR HA H 51 4.110 4.110 3.996 0.114 25716 1285 1 3 . 1 1 51 51 TYR C C 51 174.688 174.688 177.306 -2.618 25716 1286 1 3 . 1 1 51 51 TYR CA C 51 61.795 61.795 61.778 0.017 25716 1287 1 3 . 1 1 51 51 TYR CB C 51 38.036 38.036 38.347 -0.311 25716 1288 1 3 . 1 1 51 51 TYR H H 51 7.774 7.774 7.383 0.391 25716 1289 1 3 . 1 1 52 52 ILE N N 52 118.347 118.347 117.863 0.484 25716 1290 1 3 . 1 1 52 52 ILE HA H 52 3.283 3.283 3.567 -0.284 25716 1291 1 3 . 1 1 52 52 ILE C C 52 175.421 175.421 178.273 -2.852 25716 1292 1 3 . 1 1 52 52 ILE CA C 52 65.477 65.477 64.897 0.580 25716 1293 1 3 . 1 1 52 52 ILE CB C 52 38.703 38.703 37.540 1.163 25716 1294 1 3 . 1 1 52 52 ILE H H 52 8.388 8.388 8.237 0.151 25716 1295 1 3 . 1 1 53 53 ARG N N 53 121.323 121.323 120.871 0.452 25716 1296 1 3 . 1 1 53 53 ARG HA H 53 3.920 3.920 3.986 -0.066 25716 1297 1 3 . 1 1 53 53 ARG C C 53 176.463 176.463 178.078 -1.615 25716 1298 1 3 . 1 1 53 53 ARG CA C 53 59.458 59.458 59.921 -0.463 25716 1299 1 3 . 1 1 53 53 ARG CB C 53 30.296 30.296 29.996 0.300 25716 1300 1 3 . 1 1 53 53 ARG H H 53 7.831 7.831 8.028 -0.197 25716 1301 1 3 . 1 1 54 54 ASP N N 54 119.945 119.945 118.280 1.665 25716 1302 1 3 . 1 1 54 54 ASP HA H 54 4.319 4.319 4.518 -0.199 25716 1303 1 3 . 1 1 54 54 ASP C C 54 175.314 175.314 177.999 -2.685 25716 1304 1 3 . 1 1 54 54 ASP CA C 54 57.126 57.126 56.422 0.704 25716 1305 1 3 . 1 1 54 54 ASP CB C 54 40.074 40.074 40.618 -0.544 25716 1306 1 3 . 1 1 54 54 ASP H H 54 8.760 8.760 7.634 1.126 25716 1307 1 3 . 1 1 55 55 GLU N N 55 117.530 117.530 119.106 -1.576 25716 1308 1 3 . 1 1 55 55 GLU HA H 55 4.239 4.239 4.105 0.134 25716 1309 1 3 . 1 1 55 55 GLU C C 55 175.224 175.224 177.891 -2.667 25716 1310 1 3 . 1 1 55 55 GLU CA C 55 56.852 56.852 57.689 -0.837 25716 1311 1 3 . 1 1 55 55 GLU CB C 55 29.329 29.329 29.568 -0.239 25716 1312 1 3 . 1 1 55 55 GLU H H 55 8.701 8.701 7.882 0.819 25716 1313 1 3 . 1 1 56 56 MET N N 56 113.874 113.874 116.377 -2.503 25716 1314 1 3 . 1 1 56 56 MET HA H 56 4.566 4.566 4.378 0.188 25716 1315 1 3 . 1 1 56 56 MET C C 56 173.968 173.968 176.964 -2.996 25716 1316 1 3 . 1 1 56 56 MET CA C 56 55.539 55.539 54.675 0.864 25716 1317 1 3 . 1 1 56 56 MET CB C 56 34.094 34.094 33.450 0.644 25716 1318 1 3 . 1 1 56 56 MET H H 56 7.464 7.464 7.673 -0.209 25716 1319 1 3 . 1 1 57 57 GLY N N 57 107.900 107.900 106.368 1.532 25716 1320 1 3 . 1 1 57 57 GLY C C 57 171.496 171.496 174.048 -2.552 25716 1321 1 3 . 1 1 57 57 GLY CA C 57 46.561 46.561 45.135 1.426 25716 1322 1 3 . 1 1 57 57 GLY H H 57 7.291 7.291 7.853 -0.562 25716 1323 1 3 . 1 1 58 58 VAL N N 58 117.126 117.126 119.343 -2.217 25716 1324 1 3 . 1 1 58 58 VAL HA H 58 4.283 4.283 4.241 0.042 25716 1325 1 3 . 1 1 58 58 VAL C C 58 171.116 171.116 174.878 -3.762 25716 1326 1 3 . 1 1 58 58 VAL CA C 58 60.487 60.487 60.813 -0.326 25716 1327 1 3 . 1 1 58 58 VAL CB C 58 34.837 34.837 33.601 1.236 25716 1328 1 3 . 1 1 58 58 VAL H H 58 6.970 6.970 7.603 -0.633 25716 1329 1 3 . 1 1 59 59 SER N N 59 122.188 122.188 121.897 0.291 25716 1330 1 3 . 1 1 59 59 SER HA H 59 4.432 4.432 4.502 -0.070 25716 1331 1 3 . 1 1 59 59 SER C C 59 170.766 170.766 174.221 -3.455 25716 1332 1 3 . 1 1 59 59 SER CA C 59 56.563 56.563 56.632 -0.069 25716 1333 1 3 . 1 1 59 59 SER CB C 59 63.106 63.106 63.761 -0.655 25716 1334 1 3 . 1 1 59 59 SER H H 59 8.609 8.609 8.387 0.222 25716 1335 1 3 . 1 1 60 60 ILE N N 60 128.230 128.230 129.864 -1.634 25716 1336 1 3 . 1 1 60 60 ILE HA H 60 4.033 4.033 4.280 -0.247 25716 1337 1 3 . 1 1 60 60 ILE CA C 60 58.127 58.127 57.743 0.383 25716 1338 1 3 . 1 1 60 60 ILE CB C 60 38.217 38.217 37.601 0.616 25716 1339 1 3 . 1 1 60 60 ILE H H 60 8.257 8.257 8.283 -0.026 25716 1340 1 3 . 1 1 61 61 PRO HA H 61 4.501 4.501 4.646 -0.145 25716 1341 1 3 . 1 1 61 61 PRO CA C 61 62.352 62.352 62.194 0.158 25716 1342 1 3 . 1 1 61 61 PRO CB C 61 32.469 32.469 32.769 -0.300 25716 1343 1 3 . 1 1 62 62 SER HA H 62 4.058 4.058 4.250 -0.192 25716 1344 1 3 . 1 1 62 62 SER C C 62 173.269 173.269 176.615 -3.346 25716 1345 1 3 . 1 1 62 62 SER CA C 62 61.511 61.511 61.821 -0.310 25716 1346 1 3 . 1 1 62 62 SER CB C 62 62.646 62.646 62.668 -0.022 25716 1347 1 3 . 1 1 63 63 THR N N 63 110.178 110.178 115.826 -5.648 25716 1348 1 3 . 1 1 63 63 THR HA H 63 4.066 4.066 4.280 -0.214 25716 1349 1 3 . 1 1 63 63 THR C C 63 172.917 172.917 175.322 -2.405 25716 1350 1 3 . 1 1 63 63 THR CA C 63 63.007 63.007 63.994 -0.987 25716 1351 1 3 . 1 1 63 63 THR CB C 63 69.323 69.323 68.794 0.529 25716 1352 1 3 . 1 1 63 63 THR H H 63 7.307 7.307 8.368 -1.061 25716 1353 1 3 . 1 1 64 64 HIS N N 64 121.862 121.862 119.269 2.593 25716 1354 1 3 . 1 1 64 64 HIS HA H 64 4.495 4.495 4.760 -0.265 25716 1355 1 3 . 1 1 64 64 HIS C C 64 171.495 171.495 174.994 -3.499 25716 1356 1 3 . 1 1 64 64 HIS CA C 64 56.203 56.203 56.471 -0.268 25716 1357 1 3 . 1 1 64 64 HIS CB C 64 29.814 29.814 30.725 -0.911 25716 1358 1 3 . 1 1 64 64 HIS H H 64 8.132 8.132 7.653 0.479 25716 1359 1 3 . 1 1 65 65 ILE N N 65 118.536 118.536 122.221 -3.685 25716 1360 1 3 . 1 1 65 65 ILE HA H 65 4.165 4.165 4.027 0.138 25716 1361 1 3 . 1 1 65 65 ILE C C 65 172.049 172.049 175.895 -3.846 25716 1362 1 3 . 1 1 65 65 ILE CA C 65 60.576 60.576 60.741 -0.165 25716 1363 1 3 . 1 1 65 65 ILE CB C 65 35.561 35.561 34.855 0.706 25716 1364 1 3 . 1 1 65 65 ILE H H 65 7.223 7.223 7.362 -0.139 25716 1365 1 3 . 1 1 66 66 THR N N 66 114.529 114.529 118.114 -3.585 25716 1366 1 3 . 1 1 66 66 THR HA H 66 4.635 4.635 4.677 -0.042 25716 1367 1 3 . 1 1 66 66 THR C C 66 172.176 172.176 175.343 -3.167 25716 1368 1 3 . 1 1 66 66 THR CA C 66 59.827 59.827 60.299 -0.472 25716 1369 1 3 . 1 1 66 66 THR CB C 66 70.679 70.679 72.155 -1.476 25716 1370 1 3 . 1 1 66 66 THR H H 66 7.943 7.943 8.170 -0.227 25716 1371 1 3 . 1 1 67 67 GLY N N 67 109.454 109.454 108.173 1.281 25716 1372 1 3 . 1 1 67 67 GLY C C 67 172.080 172.080 174.955 -2.875 25716 1373 1 3 . 1 1 67 67 GLY CA C 67 47.245 47.245 45.527 1.718 25716 1374 1 3 . 1 1 67 67 GLY H H 67 8.736 8.736 8.752 -0.016 25716 1375 1 3 . 1 1 68 68 LYS N N 68 118.551 118.551 118.651 -0.100 25716 1376 1 3 . 1 1 68 68 LYS HA H 68 3.851 3.851 4.045 -0.194 25716 1377 1 3 . 1 1 68 68 LYS C C 68 174.455 174.455 177.513 -3.058 25716 1378 1 3 . 1 1 68 68 LYS CA C 68 58.697 58.697 58.287 0.410 25716 1379 1 3 . 1 1 68 68 LYS CB C 68 32.350 32.350 32.354 -0.004 25716 1380 1 3 . 1 1 68 68 LYS H H 68 7.968 7.968 7.713 0.255 25716 1381 1 3 . 1 1 69 69 TYR N N 69 115.203 115.203 114.920 0.283 25716 1382 1 3 . 1 1 69 69 TYR HA H 69 4.213 4.213 4.425 -0.212 25716 1383 1 3 . 1 1 69 69 TYR C C 69 171.772 171.772 176.225 -4.453 25716 1384 1 3 . 1 1 69 69 TYR CA C 69 59.212 59.212 58.775 0.437 25716 1385 1 3 . 1 1 69 69 TYR CB C 69 38.555 38.555 39.111 -0.556 25716 1386 1 3 . 1 1 69 69 TYR H H 69 6.826 6.826 7.294 -0.468 25716 1387 1 3 . 1 1 70 70 PHE N N 70 112.140 112.140 114.618 -2.478 25716 1388 1 3 . 1 1 70 70 PHE HA H 70 4.629 4.629 4.659 -0.030 25716 1389 1 3 . 1 1 70 70 PHE C C 70 171.998 171.998 176.076 -4.078 25716 1390 1 3 . 1 1 70 70 PHE CA C 70 57.245 57.245 58.461 -1.216 25716 1391 1 3 . 1 1 70 70 PHE CB C 70 40.329 40.329 38.991 1.338 25716 1392 1 3 . 1 1 70 70 PHE H H 70 7.327 7.327 7.811 -0.484 25716 1393 1 3 . 1 1 71 71 LYS N N 71 113.603 113.603 120.656 -7.053 25716 1394 1 3 . 1 1 71 71 LYS HA H 71 3.875 3.875 4.074 -0.199 25716 1395 1 3 . 1 1 71 71 LYS C C 71 172.963 172.963 175.959 -2.996 25716 1396 1 3 . 1 1 71 71 LYS CA C 71 59.667 59.667 59.140 0.527 25716 1397 1 3 . 1 1 71 71 LYS CB C 71 33.074 33.074 33.039 0.035 25716 1398 1 3 . 1 1 71 71 LYS H H 71 6.925 6.925 7.792 -0.867 25716 1399 1 3 . 1 1 72 72 ASP N N 72 110.434 110.434 112.299 -1.865 25716 1400 1 3 . 1 1 72 72 ASP HA H 72 4.441 4.441 4.907 -0.466 25716 1401 1 3 . 1 1 72 72 ASP C C 72 172.750 172.750 175.781 -3.031 25716 1402 1 3 . 1 1 72 72 ASP CA C 72 52.378 52.378 52.192 0.186 25716 1403 1 3 . 1 1 72 72 ASP CB C 72 42.426 42.426 43.905 -1.479 25716 1404 1 3 . 1 1 72 72 ASP H H 72 7.363 7.363 7.470 -0.107 25716 1405 1 3 . 1 1 73 73 LEU N N 73 120.273 120.273 119.906 0.367 25716 1406 1 3 . 1 1 73 73 LEU HA H 73 3.920 3.920 4.034 -0.114 25716 1407 1 3 . 1 1 73 73 LEU C C 73 176.648 176.648 178.134 -1.486 25716 1408 1 3 . 1 1 73 73 LEU CA C 73 58.120 58.120 57.705 0.415 25716 1409 1 3 . 1 1 73 73 LEU CB C 73 42.574 42.574 42.265 0.309 25716 1410 1 3 . 1 1 73 73 LEU H H 73 9.983 9.983 8.428 1.555 25716 1411 1 3 . 1 1 74 74 ASN N N 74 119.506 119.506 118.068 1.438 25716 1412 1 3 . 1 1 74 74 ASN HA H 74 4.405 4.405 4.432 -0.027 25716 1413 1 3 . 1 1 74 74 ASN C C 74 174.659 174.659 177.299 -2.640 25716 1414 1 3 . 1 1 74 74 ASN CA C 74 56.287 56.287 56.348 -0.061 25716 1415 1 3 . 1 1 74 74 ASN CB C 74 37.579 37.579 38.088 -0.509 25716 1416 1 3 . 1 1 74 74 ASN H H 74 7.893 7.893 8.053 -0.160 25716 1417 1 3 . 1 1 75 75 ALA N N 75 125.068 125.068 123.444 1.624 25716 1418 1 3 . 1 1 75 75 ALA HA H 75 4.097 4.097 4.179 -0.082 25716 1419 1 3 . 1 1 75 75 ALA C C 75 177.809 177.809 179.978 -2.169 25716 1420 1 3 . 1 1 75 75 ALA CA C 75 55.365 55.365 54.740 0.625 25716 1421 1 3 . 1 1 75 75 ALA CB C 75 18.572 18.572 18.156 0.416 25716 1422 1 3 . 1 1 75 75 ALA H H 75 8.951 8.951 8.383 0.568 25716 1423 1 3 . 1 1 76 76 ILE N N 76 119.561 119.561 118.616 0.945 25716 1424 1 3 . 1 1 76 76 ILE HA H 76 3.615 3.615 3.755 -0.140 25716 1425 1 3 . 1 1 76 76 ILE C C 76 175.344 175.344 178.136 -2.792 25716 1426 1 3 . 1 1 76 76 ILE CA C 76 65.272 65.272 63.711 1.561 25716 1427 1 3 . 1 1 76 76 ILE CB C 76 39.056 39.056 36.923 2.132 25716 1428 1 3 . 1 1 76 76 ILE H H 76 8.386 8.386 8.096 0.290 25716 1429 1 3 . 1 1 77 77 SER N N 77 114.090 114.090 115.614 -1.524 25716 1430 1 3 . 1 1 77 77 SER HA H 77 3.878 3.878 4.146 -0.268 25716 1431 1 3 . 1 1 77 77 SER C C 77 173.592 173.592 176.782 -3.190 25716 1432 1 3 . 1 1 77 77 SER CA C 77 62.733 62.733 61.806 0.928 25716 1433 1 3 . 1 1 77 77 SER CB C 77 62.864 62.864 63.253 -0.389 25716 1434 1 3 . 1 1 77 77 SER H H 77 8.250 8.250 7.802 0.448 25716 1435 1 3 . 1 1 78 78 ARG N N 78 121.670 121.670 120.273 1.397 25716 1436 1 3 . 1 1 78 78 ARG HA H 78 4.129 4.129 4.121 0.008 25716 1437 1 3 . 1 1 78 78 ARG C C 78 176.111 176.111 178.389 -2.278 25716 1438 1 3 . 1 1 78 78 ARG CA C 78 59.328 59.328 59.252 0.076 25716 1439 1 3 . 1 1 78 78 ARG CB C 78 29.814 29.814 29.574 0.240 25716 1440 1 3 . 1 1 78 78 ARG H H 78 8.086 8.086 8.322 -0.236 25716 1441 1 3 . 1 1 79 79 THR N N 79 118.928 118.928 114.285 4.643 25716 1442 1 3 . 1 1 79 79 THR HA H 79 4.525 4.525 4.234 0.291 25716 1443 1 3 . 1 1 79 79 THR C C 79 173.364 173.364 176.037 -2.673 25716 1444 1 3 . 1 1 79 79 THR CA C 79 68.289 68.289 65.086 3.203 25716 1445 1 3 . 1 1 79 79 THR CB C 79 67.268 67.268 68.437 -1.169 25716 1446 1 3 . 1 1 79 79 THR H H 79 8.351 8.351 7.459 0.892 25716 1447 1 3 . 1 1 80 80 VAL N N 80 120.643 120.643 122.384 -1.741 25716 1448 1 3 . 1 1 80 80 VAL HA H 80 3.339 3.339 3.514 -0.175 25716 1449 1 3 . 1 1 80 80 VAL C C 80 174.438 174.438 177.733 -3.295 25716 1450 1 3 . 1 1 80 80 VAL CA C 80 67.603 67.603 67.028 0.575 25716 1451 1 3 . 1 1 80 80 VAL CB C 80 31.532 31.532 31.454 0.078 25716 1452 1 3 . 1 1 80 80 VAL H H 80 8.242 8.242 7.793 0.449 25716 1453 1 3 . 1 1 81 81 GLU N N 81 118.067 118.067 118.005 0.062 25716 1454 1 3 . 1 1 81 81 GLU HA H 81 3.943 3.943 3.903 0.040 25716 1455 1 3 . 1 1 81 81 GLU C C 81 176.961 176.961 179.128 -2.167 25716 1456 1 3 . 1 1 81 81 GLU CA C 81 59.974 59.974 59.469 0.505 25716 1457 1 3 . 1 1 81 81 GLU CB C 81 29.817 29.817 29.084 0.733 25716 1458 1 3 . 1 1 81 81 GLU H H 81 8.296 8.296 8.096 0.200 25716 1459 1 3 . 1 1 82 82 GLN N N 82 119.947 119.947 120.035 -0.088 25716 1460 1 3 . 1 1 82 82 GLN HA H 82 4.110 4.110 4.065 0.045 25716 1461 1 3 . 1 1 82 82 GLN C C 82 176.023 176.023 178.242 -2.219 25716 1462 1 3 . 1 1 82 82 GLN CA C 82 58.991 58.991 58.484 0.507 25716 1463 1 3 . 1 1 82 82 GLN CB C 82 28.136 28.136 28.083 0.053 25716 1464 1 3 . 1 1 82 82 GLN H H 82 8.444 8.444 7.511 0.933 25716 1465 1 3 . 1 1 83 83 LEU N N 83 119.916 119.916 119.607 0.309 25716 1466 1 3 . 1 1 83 83 LEU HA H 83 4.075 4.075 3.933 0.142 25716 1467 1 3 . 1 1 83 83 LEU C C 83 177.753 177.753 178.682 -0.929 25716 1468 1 3 . 1 1 83 83 LEU CA C 83 57.453 57.453 57.540 -0.087 25716 1469 1 3 . 1 1 83 83 LEU CB C 83 41.673 41.673 41.357 0.316 25716 1470 1 3 . 1 1 83 83 LEU H H 83 8.149 8.149 8.102 0.047 25716 1471 1 3 . 1 1 84 84 LYS N N 84 121.059 121.059 119.933 1.126 25716 1472 1 3 . 1 1 84 84 LYS HA H 84 3.951 3.951 3.892 0.059 25716 1473 1 3 . 1 1 84 84 LYS C C 84 176.055 176.055 178.757 -2.702 25716 1474 1 3 . 1 1 84 84 LYS CA C 84 59.328 59.328 59.647 -0.319 25716 1475 1 3 . 1 1 84 84 LYS CB C 84 32.291 32.291 32.191 0.100 25716 1476 1 3 . 1 1 84 84 LYS H H 84 8.373 8.373 8.049 0.324 25716 1477 1 3 . 1 1 85 85 ALA N N 85 122.134 122.134 122.018 0.116 25716 1478 1 3 . 1 1 85 85 ALA HA H 85 4.188 4.188 4.074 0.114 25716 1479 1 3 . 1 1 85 85 ALA C C 85 177.240 177.240 179.897 -2.657 25716 1480 1 3 . 1 1 85 85 ALA CA C 85 54.423 54.423 55.225 -0.802 25716 1481 1 3 . 1 1 85 85 ALA CB C 85 18.193 18.193 18.039 0.154 25716 1482 1 3 . 1 1 85 85 ALA H H 85 7.854 7.854 7.833 0.021 25716 1483 1 3 . 1 1 86 86 GLU N N 86 117.813 117.813 118.650 -0.837 25716 1484 1 3 . 1 1 86 86 GLU HA H 86 4.115 4.115 3.969 0.146 25716 1485 1 3 . 1 1 86 86 GLU C C 86 175.547 175.547 179.306 -3.759 25716 1486 1 3 . 1 1 86 86 GLU CA C 86 58.199 58.199 59.072 -0.873 25716 1487 1 3 . 1 1 86 86 GLU CB C 86 29.841 29.841 29.167 0.674 25716 1488 1 3 . 1 1 86 86 GLU H H 86 8.059 8.059 8.218 -0.159 25716 1489 1 3 . 1 1 87 87 SER N N 87 114.771 114.771 115.332 -0.561 25716 1490 1 3 . 1 1 87 87 SER HA H 87 4.362 4.362 4.230 0.132 25716 1491 1 3 . 1 1 87 87 SER C C 87 172.405 172.405 176.537 -4.132 25716 1492 1 3 . 1 1 87 87 SER CA C 87 59.806 59.806 61.131 -1.325 25716 1493 1 3 . 1 1 87 87 SER CB C 87 63.528 63.528 62.870 0.658 25716 1494 1 3 . 1 1 87 87 SER H H 87 7.908 7.908 8.041 -0.133 25716 1495 1 3 . 1 1 88 88 ALA N N 88 124.277 124.277 123.703 0.574 25716 1496 1 3 . 1 1 88 88 ALA HA H 88 4.284 4.284 4.201 0.083 25716 1497 1 3 . 1 1 88 88 ALA C C 88 175.489 175.489 178.917 -3.428 25716 1498 1 3 . 1 1 88 88 ALA CA C 88 53.087 53.087 54.534 -1.447 25716 1499 1 3 . 1 1 88 88 ALA CB C 88 18.792 18.792 18.849 -0.057 25716 1500 1 3 . 1 1 88 88 ALA H H 88 7.812 7.812 7.673 0.139 25716 1501 1 3 . 1 1 89 89 LEU N N 89 119.411 119.411 118.433 0.978 25716 1502 1 3 . 1 1 89 89 LEU HA H 89 4.219 4.219 4.228 -0.009 25716 1503 1 3 . 1 1 89 89 LEU C C 89 175.025 175.025 177.869 -2.844 25716 1504 1 3 . 1 1 89 89 LEU CA C 89 55.608 55.608 55.384 0.224 25716 1505 1 3 . 1 1 89 89 LEU CB C 89 42.213 42.213 42.206 0.007 25716 1506 1 3 . 1 1 89 89 LEU H H 89 7.769 7.769 7.999 -0.230 25716 1507 1 4 . 1 1 2 2 ASP HA H 2 4.704 4.704 4.654 0.050 25716 1508 1 4 . 1 1 2 2 ASP C C 2 173.822 173.822 177.740 -3.918 25716 1509 1 4 . 1 1 2 2 ASP CA C 2 54.130 54.130 54.529 -0.399 25716 1510 1 4 . 1 1 2 2 ASP CB C 2 41.601 41.601 42.434 -0.833 25716 1511 1 4 . 1 1 3 3 GLY N N 3 109.376 109.376 108.536 0.840 25716 1512 1 4 . 1 1 3 3 GLY C C 3 172.786 172.786 176.197 -3.411 25716 1513 1 4 . 1 1 3 3 GLY CA C 3 46.704 46.704 47.968 -1.264 25716 1514 1 4 . 1 1 3 3 GLY H H 3 8.712 8.712 8.917 -0.205 25716 1515 1 4 . 1 1 4 4 GLU N N 4 120.623 120.623 120.085 0.538 25716 1516 1 4 . 1 1 4 4 GLU HA H 4 4.207 4.207 4.194 0.013 25716 1517 1 4 . 1 1 4 4 GLU C C 4 175.198 175.198 179.226 -4.028 25716 1518 1 4 . 1 1 4 4 GLU CA C 4 58.159 58.159 59.096 -0.937 25716 1519 1 4 . 1 1 4 4 GLU CB C 4 29.793 29.793 28.878 0.915 25716 1520 1 4 . 1 1 4 4 GLU H H 4 8.280 8.280 8.877 -0.597 25716 1521 1 4 . 1 1 5 5 GLU N N 5 121.684 121.684 120.595 1.089 25716 1522 1 4 . 1 1 5 5 GLU HA H 5 4.173 4.173 4.088 0.085 25716 1523 1 4 . 1 1 5 5 GLU C C 5 175.720 175.720 179.257 -3.537 25716 1524 1 4 . 1 1 5 5 GLU CA C 5 58.648 58.648 59.073 -0.425 25716 1525 1 4 . 1 1 5 5 GLU CB C 5 29.819 29.819 29.390 0.429 25716 1526 1 4 . 1 1 5 5 GLU H H 5 8.254 8.254 7.659 0.595 25716 1527 1 4 . 1 1 6 6 VAL N N 6 120.195 120.195 120.340 -0.145 25716 1528 1 4 . 1 1 6 6 VAL HA H 6 3.594 3.594 3.708 -0.114 25716 1529 1 4 . 1 1 6 6 VAL C C 6 174.638 174.638 177.098 -2.460 25716 1530 1 4 . 1 1 6 6 VAL CA C 6 66.621 66.621 66.097 0.524 25716 1531 1 4 . 1 1 6 6 VAL CB C 6 32.041 32.041 31.878 0.163 25716 1532 1 4 . 1 1 6 6 VAL H H 6 8.137 8.137 8.346 -0.209 25716 1533 1 4 . 1 1 7 7 LYS N N 7 118.688 118.688 118.804 -0.116 25716 1534 1 4 . 1 1 7 7 LYS HA H 7 3.776 3.776 3.935 -0.159 25716 1535 1 4 . 1 1 7 7 LYS C C 7 175.192 175.192 178.907 -3.715 25716 1536 1 4 . 1 1 7 7 LYS CA C 7 60.903 60.903 60.184 0.719 25716 1537 1 4 . 1 1 7 7 LYS CB C 7 32.251 32.251 32.121 0.130 25716 1538 1 4 . 1 1 7 7 LYS H H 7 8.099 8.099 7.449 0.650 25716 1539 1 4 . 1 1 8 8 GLU N N 8 117.138 117.138 119.722 -2.584 25716 1540 1 4 . 1 1 8 8 GLU HA H 8 4.188 4.188 4.101 0.087 25716 1541 1 4 . 1 1 8 8 GLU C C 8 176.405 176.405 178.844 -2.439 25716 1542 1 4 . 1 1 8 8 GLU CA C 8 58.635 58.635 59.130 -0.495 25716 1543 1 4 . 1 1 8 8 GLU CB C 8 29.149 29.149 29.133 0.016 25716 1544 1 4 . 1 1 8 8 GLU H H 8 7.875 7.875 8.266 -0.391 25716 1545 1 4 . 1 1 9 9 LYS N N 9 119.639 119.639 119.641 -0.002 25716 1546 1 4 . 1 1 9 9 LYS HA H 9 4.072 4.072 4.157 -0.085 25716 1547 1 4 . 1 1 9 9 LYS C C 9 177.376 177.376 179.283 -1.907 25716 1548 1 4 . 1 1 9 9 LYS CA C 9 59.994 59.994 59.758 0.235 25716 1549 1 4 . 1 1 9 9 LYS CB C 9 32.471 32.471 32.628 -0.157 25716 1550 1 4 . 1 1 9 9 LYS H H 9 8.102 8.102 7.897 0.205 25716 1551 1 4 . 1 1 10 10 ILE N N 10 119.456 119.456 118.992 0.464 25716 1552 1 4 . 1 1 10 10 ILE HA H 10 3.713 3.713 3.771 -0.058 25716 1553 1 4 . 1 1 10 10 ILE C C 10 174.153 174.153 177.877 -3.724 25716 1554 1 4 . 1 1 10 10 ILE CA C 10 65.549 65.549 64.872 0.677 25716 1555 1 4 . 1 1 10 10 ILE CB C 10 37.522 37.522 37.921 -0.399 25716 1556 1 4 . 1 1 10 10 ILE H H 10 8.210 8.210 8.159 0.051 25716 1557 1 4 . 1 1 11 11 ARG N N 11 121.172 121.172 119.246 1.926 25716 1558 1 4 . 1 1 11 11 ARG HA H 11 3.608 3.608 4.092 -0.484 25716 1559 1 4 . 1 1 11 11 ARG C C 11 174.925 174.925 178.535 -3.610 25716 1560 1 4 . 1 1 11 11 ARG CA C 11 60.617 60.617 58.809 1.808 25716 1561 1 4 . 1 1 11 11 ARG CB C 11 30.480 30.480 29.331 1.149 25716 1562 1 4 . 1 1 11 11 ARG H H 11 8.851 8.851 8.323 0.528 25716 1563 1 4 . 1 1 12 12 ARG N N 12 116.578 116.578 120.100 -3.522 25716 1564 1 4 . 1 1 12 12 ARG HA H 12 3.935 3.935 4.171 -0.236 25716 1565 1 4 . 1 1 12 12 ARG C C 12 174.817 174.817 178.285 -3.468 25716 1566 1 4 . 1 1 12 12 ARG CA C 12 59.162 59.162 57.692 1.470 25716 1567 1 4 . 1 1 12 12 ARG CB C 12 29.476 29.476 29.310 0.166 25716 1568 1 4 . 1 1 12 12 ARG H H 12 8.126 8.126 7.740 0.386 25716 1569 1 4 . 1 1 13 13 TYR N N 13 119.994 119.994 121.724 -1.730 25716 1570 1 4 . 1 1 13 13 TYR HA H 13 4.047 4.047 4.093 -0.046 25716 1571 1 4 . 1 1 13 13 TYR C C 13 175.273 175.273 177.890 -2.617 25716 1572 1 4 . 1 1 13 13 TYR CA C 13 61.856 61.856 61.097 0.759 25716 1573 1 4 . 1 1 13 13 TYR CB C 13 38.459 38.459 37.575 0.884 25716 1574 1 4 . 1 1 13 13 TYR H H 13 7.758 7.758 7.825 -0.067 25716 1575 1 4 . 1 1 14 14 ILE N N 14 117.754 117.754 119.342 -1.588 25716 1576 1 4 . 1 1 14 14 ILE HA H 14 3.239 3.239 3.440 -0.201 25716 1577 1 4 . 1 1 14 14 ILE C C 14 175.425 175.425 177.126 -1.701 25716 1578 1 4 . 1 1 14 14 ILE CA C 14 65.826 65.826 65.431 0.395 25716 1579 1 4 . 1 1 14 14 ILE CB C 14 37.782 37.782 37.740 0.042 25716 1580 1 4 . 1 1 14 14 ILE H H 14 8.464 8.464 8.334 0.130 25716 1581 1 4 . 1 1 15 15 MET N N 15 116.173 116.173 117.298 -1.125 25716 1582 1 4 . 1 1 15 15 MET HA H 15 3.939 3.939 4.123 -0.184 25716 1583 1 4 . 1 1 15 15 MET C C 15 174.676 174.676 177.659 -2.983 25716 1584 1 4 . 1 1 15 15 MET CA C 15 59.276 59.276 58.802 0.474 25716 1585 1 4 . 1 1 15 15 MET CB C 15 32.885 32.885 32.246 0.639 25716 1586 1 4 . 1 1 15 15 MET H H 15 8.265 8.265 7.460 0.805 25716 1587 1 4 . 1 1 16 16 GLU N N 16 116.398 116.398 118.443 -2.045 25716 1588 1 4 . 1 1 16 16 GLU HA H 16 3.980 3.980 4.097 -0.117 25716 1589 1 4 . 1 1 16 16 GLU C C 16 175.158 175.158 178.363 -3.205 25716 1590 1 4 . 1 1 16 16 GLU CA C 16 58.767 58.767 58.712 0.055 25716 1591 1 4 . 1 1 16 16 GLU CB C 16 30.078 30.078 29.809 0.269 25716 1592 1 4 . 1 1 16 16 GLU H H 16 8.619 8.619 7.713 0.906 25716 1593 1 4 . 1 1 17 17 ASP N N 17 116.973 116.973 117.879 -0.906 25716 1594 1 4 . 1 1 17 17 ASP HA H 17 4.591 4.591 4.494 0.097 25716 1595 1 4 . 1 1 17 17 ASP C C 17 174.240 174.240 177.860 -3.620 25716 1596 1 4 . 1 1 17 17 ASP CA C 17 55.438 55.438 55.599 -0.161 25716 1597 1 4 . 1 1 17 17 ASP CB C 17 42.657 42.657 40.953 1.704 25716 1598 1 4 . 1 1 17 17 ASP H H 17 8.119 8.119 7.829 0.290 25716 1599 1 4 . 1 1 18 18 LEU N N 18 115.667 115.667 119.874 -4.207 25716 1600 1 4 . 1 1 18 18 LEU HA H 18 4.488 4.488 4.163 0.325 25716 1601 1 4 . 1 1 18 18 LEU C C 18 175.062 175.062 177.685 -2.623 25716 1602 1 4 . 1 1 18 18 LEU CA C 18 56.075 56.075 56.355 -0.280 25716 1603 1 4 . 1 1 18 18 LEU CB C 18 41.096 41.096 42.625 -1.529 25716 1604 1 4 . 1 1 18 18 LEU H H 18 7.162 7.162 7.186 -0.024 25716 1605 1 4 . 1 1 19 19 ILE N N 19 120.763 120.763 117.309 3.454 25716 1606 1 4 . 1 1 19 19 ILE HA H 19 3.979 3.979 4.194 -0.215 25716 1607 1 4 . 1 1 19 19 ILE C C 19 174.557 174.557 175.975 -1.418 25716 1608 1 4 . 1 1 19 19 ILE CA C 19 63.809 63.809 60.859 2.950 25716 1609 1 4 . 1 1 19 19 ILE CB C 19 38.044 38.044 39.422 -1.378 25716 1610 1 4 . 1 1 19 19 ILE H H 19 8.017 8.017 8.051 -0.034 25716 1611 1 4 . 1 1 20 20 GLY N N 20 108.619 108.619 110.724 -2.105 25716 1612 1 4 . 1 1 20 20 GLY CA C 20 44.560 44.560 45.207 -0.647 25716 1613 1 4 . 1 1 20 20 GLY H H 20 8.126 8.126 8.344 -0.218 25716 1614 1 4 . 1 1 21 21 PRO HA H 21 4.385 4.385 4.512 -0.127 25716 1615 1 4 . 1 1 21 21 PRO C C 21 174.855 174.855 177.690 -2.835 25716 1616 1 4 . 1 1 21 21 PRO CA C 21 64.406 64.406 63.792 0.614 25716 1617 1 4 . 1 1 21 21 PRO CB C 21 32.027 32.027 32.028 -0.001 25716 1618 1 4 . 1 1 22 22 SER N N 22 114.165 114.165 116.780 -2.615 25716 1619 1 4 . 1 1 22 22 SER HA H 22 4.394 4.394 4.422 -0.028 25716 1620 1 4 . 1 1 22 22 SER C C 22 171.708 171.708 173.404 -1.696 25716 1621 1 4 . 1 1 22 22 SER CA C 22 58.871 58.871 57.733 1.138 25716 1622 1 4 . 1 1 22 22 SER CB C 22 63.473 63.473 61.444 2.029 25716 1623 1 4 . 1 1 22 22 SER H H 22 8.279 8.279 8.093 0.186 25716 1624 1 4 . 1 1 23 23 ALA N N 23 125.151 125.151 126.992 -1.841 25716 1625 1 4 . 1 1 23 23 ALA HA H 23 4.250 4.250 4.495 -0.245 25716 1626 1 4 . 1 1 23 23 ALA C C 23 174.903 174.903 175.989 -1.086 25716 1627 1 4 . 1 1 23 23 ALA CA C 23 52.851 52.851 51.447 1.404 25716 1628 1 4 . 1 1 23 23 ALA CB C 23 19.376 19.376 19.727 -0.351 25716 1629 1 4 . 1 1 23 23 ALA H H 23 8.040 8.040 7.596 0.444 25716 1630 1 4 . 1 1 24 24 LYS N N 24 120.823 120.823 121.729 -0.906 25716 1631 1 4 . 1 1 24 24 LYS HA H 24 4.346 4.346 4.110 0.236 25716 1632 1 4 . 1 1 24 24 LYS C C 24 174.522 174.522 178.390 -3.868 25716 1633 1 4 . 1 1 24 24 LYS CA C 24 55.938 55.938 56.383 -0.445 25716 1634 1 4 . 1 1 24 24 LYS CB C 24 33.187 33.187 33.365 -0.178 25716 1635 1 4 . 1 1 24 24 LYS H H 24 8.306 8.306 8.023 0.283 25716 1636 1 4 . 1 1 25 25 GLU N N 25 121.186 121.186 121.270 -0.084 25716 1637 1 4 . 1 1 25 25 GLU HA H 25 4.114 4.114 4.021 0.093 25716 1638 1 4 . 1 1 25 25 GLU C C 25 173.808 173.808 176.750 -2.942 25716 1639 1 4 . 1 1 25 25 GLU CA C 25 58.023 58.023 59.570 -1.547 25716 1640 1 4 . 1 1 25 25 GLU CB C 25 29.769 29.769 29.411 0.358 25716 1641 1 4 . 1 1 25 25 GLU H H 25 8.569 8.569 8.976 -0.407 25716 1642 1 4 . 1 1 26 26 ASP N N 26 117.111 117.111 115.351 1.760 25716 1643 1 4 . 1 1 26 26 ASP HA H 26 4.569 4.569 4.867 -0.298 25716 1644 1 4 . 1 1 26 26 ASP C C 26 173.265 173.265 175.757 -2.492 25716 1645 1 4 . 1 1 26 26 ASP CA C 26 54.061 54.061 53.540 0.521 25716 1646 1 4 . 1 1 26 26 ASP CB C 26 40.742 40.742 40.678 0.064 25716 1647 1 4 . 1 1 26 26 ASP H H 26 8.139 8.139 8.165 -0.026 25716 1648 1 4 . 1 1 27 27 GLU N N 27 118.932 118.932 119.904 -0.972 25716 1649 1 4 . 1 1 27 27 GLU HA H 27 4.239 4.239 4.296 -0.057 25716 1650 1 4 . 1 1 27 27 GLU C C 27 172.838 172.838 176.776 -3.938 25716 1651 1 4 . 1 1 27 27 GLU CA C 27 56.645 56.645 58.328 -1.683 25716 1652 1 4 . 1 1 27 27 GLU CB C 27 30.703 30.703 30.514 0.189 25716 1653 1 4 . 1 1 27 27 GLU H H 27 7.859 7.859 8.232 -0.373 25716 1654 1 4 . 1 1 28 28 LEU N N 28 121.726 121.726 119.294 2.432 25716 1655 1 4 . 1 1 28 28 LEU HA H 28 4.570 4.570 4.455 0.115 25716 1656 1 4 . 1 1 28 28 LEU C C 28 172.438 172.438 175.406 -2.968 25716 1657 1 4 . 1 1 28 28 LEU CA C 28 54.503 54.503 53.973 0.530 25716 1658 1 4 . 1 1 28 28 LEU CB C 28 43.342 43.342 42.498 0.844 25716 1659 1 4 . 1 1 28 28 LEU H H 28 7.671 7.671 7.843 -0.172 25716 1660 1 4 . 1 1 29 29 ASP N N 29 126.685 126.685 122.364 4.321 25716 1661 1 4 . 1 1 29 29 ASP HA H 29 4.822 4.822 4.779 0.043 25716 1662 1 4 . 1 1 29 29 ASP C C 29 173.732 173.732 176.490 -2.758 25716 1663 1 4 . 1 1 29 29 ASP CA C 29 52.855 52.855 53.138 -0.283 25716 1664 1 4 . 1 1 29 29 ASP CB C 29 43.124 43.124 44.533 -1.409 25716 1665 1 4 . 1 1 29 29 ASP H H 29 8.950 8.950 8.073 0.877 25716 1666 1 4 . 1 1 30 30 ASP N N 30 120.317 120.317 120.319 -0.002 25716 1667 1 4 . 1 1 30 30 ASP HA H 30 4.247 4.247 4.390 -0.143 25716 1668 1 4 . 1 1 30 30 ASP C C 30 172.143 172.143 176.388 -4.245 25716 1669 1 4 . 1 1 30 30 ASP CA C 30 57.352 57.352 56.599 0.753 25716 1670 1 4 . 1 1 30 30 ASP CB C 30 40.160 40.160 41.167 -1.007 25716 1671 1 4 . 1 1 30 30 ASP H H 30 8.500 8.500 8.711 -0.211 25716 1672 1 4 . 1 1 31 31 GLN N N 31 111.109 111.109 116.788 -5.679 25716 1673 1 4 . 1 1 31 31 GLN HA H 31 4.590 4.590 4.494 0.096 25716 1674 1 4 . 1 1 31 31 GLN C C 31 174.343 174.343 175.336 -0.993 25716 1675 1 4 . 1 1 31 31 GLN CA C 31 54.437 54.437 54.326 0.111 25716 1676 1 4 . 1 1 31 31 GLN CB C 31 30.038 30.038 29.882 0.156 25716 1677 1 4 . 1 1 31 31 GLN H H 31 8.234 8.234 8.033 0.201 25716 1678 1 4 . 1 1 32 32 THR N N 32 123.333 123.333 120.410 2.923 25716 1679 1 4 . 1 1 32 32 THR HA H 32 3.856 3.856 4.075 -0.219 25716 1680 1 4 . 1 1 32 32 THR CA C 32 62.805 62.805 61.922 0.883 25716 1681 1 4 . 1 1 32 32 THR CB C 32 69.907 69.907 68.609 1.298 25716 1682 1 4 . 1 1 32 32 THR H H 32 7.663 7.663 7.314 0.349 25716 1683 1 4 . 1 1 33 33 PRO HA H 33 4.823 4.823 4.748 0.075 25716 1684 1 4 . 1 1 33 33 PRO C C 33 172.190 172.190 177.119 -4.929 25716 1685 1 4 . 1 1 33 33 PRO CA C 33 61.670 61.670 62.688 -1.018 25716 1686 1 4 . 1 1 33 33 PRO CB C 33 29.880 29.880 31.209 -1.329 25716 1687 1 4 . 1 1 34 34 LEU N N 34 126.562 126.562 124.240 2.322 25716 1688 1 4 . 1 1 34 34 LEU HA H 34 3.820 3.820 3.756 0.064 25716 1689 1 4 . 1 1 34 34 LEU C C 34 176.590 176.590 178.519 -1.929 25716 1690 1 4 . 1 1 34 34 LEU CA C 34 57.808 57.808 58.330 -0.522 25716 1691 1 4 . 1 1 34 34 LEU CB C 34 42.569 42.569 41.511 1.058 25716 1692 1 4 . 1 1 34 34 LEU H H 34 7.988 7.988 8.315 -0.327 25716 1693 1 4 . 1 1 35 35 LEU N N 35 117.687 117.687 117.328 0.359 25716 1694 1 4 . 1 1 35 35 LEU HA H 35 4.539 4.539 4.017 0.522 25716 1695 1 4 . 1 1 35 35 LEU C C 35 178.411 178.411 179.290 -0.879 25716 1696 1 4 . 1 1 35 35 LEU CA C 35 56.531 56.531 57.508 -0.977 25716 1697 1 4 . 1 1 35 35 LEU CB C 35 41.338 41.338 41.565 -0.227 25716 1698 1 4 . 1 1 35 35 LEU H H 35 8.184 8.184 7.460 0.724 25716 1699 1 4 . 1 1 36 36 GLU N N 36 121.488 121.488 119.609 1.879 25716 1700 1 4 . 1 1 36 36 GLU HA H 36 4.118 4.118 4.157 -0.039 25716 1701 1 4 . 1 1 36 36 GLU C C 36 175.984 175.984 178.326 -2.342 25716 1702 1 4 . 1 1 36 36 GLU CA C 36 59.264 59.264 59.124 0.140 25716 1703 1 4 . 1 1 36 36 GLU CB C 36 29.608 29.608 29.521 0.087 25716 1704 1 4 . 1 1 36 36 GLU H H 36 7.857 7.857 8.056 -0.199 25716 1705 1 4 . 1 1 37 37 TRP N N 37 115.319 115.319 118.682 -3.363 25716 1706 1 4 . 1 1 37 37 TRP HA H 37 4.950 4.950 4.582 0.368 25716 1707 1 4 . 1 1 37 37 TRP C C 37 174.270 174.270 177.399 -3.129 25716 1708 1 4 . 1 1 37 37 TRP CA C 37 56.075 56.075 58.175 -2.100 25716 1709 1 4 . 1 1 37 37 TRP CB C 37 29.050 29.050 29.524 -0.474 25716 1710 1 4 . 1 1 37 37 TRP H H 37 8.180 8.180 8.224 -0.044 25716 1711 1 4 . 1 1 38 38 GLY N N 38 106.793 106.793 106.421 0.372 25716 1712 1 4 . 1 1 38 38 GLY C C 38 171.784 171.784 175.245 -3.461 25716 1713 1 4 . 1 1 38 38 GLY CA C 38 46.275 46.275 45.697 0.578 25716 1714 1 4 . 1 1 38 38 GLY H H 38 7.704 7.704 7.807 -0.103 25716 1715 1 4 . 1 1 39 39 ILE N N 39 120.597 120.597 113.675 6.922 25716 1716 1 4 . 1 1 39 39 ILE HA H 39 3.753 3.753 4.132 -0.379 25716 1717 1 4 . 1 1 39 39 ILE C C 39 174.148 174.148 175.558 -1.410 25716 1718 1 4 . 1 1 39 39 ILE CA C 39 63.934 63.934 62.399 1.535 25716 1719 1 4 . 1 1 39 39 ILE CB C 39 38.673 38.673 38.465 0.208 25716 1720 1 4 . 1 1 39 39 ILE H H 39 7.697 7.697 7.568 0.129 25716 1721 1 4 . 1 1 40 40 LEU N N 40 115.102 115.102 121.842 -6.740 25716 1722 1 4 . 1 1 40 40 LEU HA H 40 4.934 4.934 4.472 0.462 25716 1723 1 4 . 1 1 40 40 LEU C C 40 172.286 172.286 175.883 -3.597 25716 1724 1 4 . 1 1 40 40 LEU CA C 40 52.249 52.249 53.594 -1.345 25716 1725 1 4 . 1 1 40 40 LEU CB C 40 43.454 43.454 40.675 2.779 25716 1726 1 4 . 1 1 40 40 LEU H H 40 7.307 7.307 7.691 -0.384 25716 1727 1 4 . 1 1 41 41 ASN N N 41 117.306 117.306 121.218 -3.912 25716 1728 1 4 . 1 1 41 41 ASN HA H 41 4.589 4.589 4.730 -0.141 25716 1729 1 4 . 1 1 41 41 ASN C C 41 171.807 171.807 175.697 -3.890 25716 1730 1 4 . 1 1 41 41 ASN CA C 41 52.017 52.017 53.293 -1.276 25716 1731 1 4 . 1 1 41 41 ASN CB C 41 39.872 39.872 39.647 0.225 25716 1732 1 4 . 1 1 41 41 ASN H H 41 8.466 8.466 8.172 0.294 25716 1733 1 4 . 1 1 42 42 SER N N 42 113.236 113.236 116.161 -2.925 25716 1734 1 4 . 1 1 42 42 SER HA H 42 4.116 4.116 4.196 -0.080 25716 1735 1 4 . 1 1 42 42 SER C C 42 171.631 171.631 176.633 -5.002 25716 1736 1 4 . 1 1 42 42 SER CA C 42 60.951 60.951 61.498 -0.547 25716 1737 1 4 . 1 1 42 42 SER CB C 42 65.868 65.868 63.012 2.856 25716 1738 1 4 . 1 1 42 42 SER H H 42 9.138 9.138 8.652 0.486 25716 1739 1 4 . 1 1 43 43 MET N N 43 118.797 118.797 118.262 0.535 25716 1740 1 4 . 1 1 43 43 MET HA H 43 4.467 4.467 4.295 0.172 25716 1741 1 4 . 1 1 43 43 MET CA C 43 57.429 57.429 57.964 -0.535 25716 1742 1 4 . 1 1 43 43 MET CB C 43 32.494 32.494 32.087 0.406 25716 1743 1 4 . 1 1 43 43 MET H H 43 8.292 8.292 8.358 -0.066 25716 1744 1 4 . 1 1 44 44 ASN N N 44 117.701 117.701 116.065 1.636 25716 1745 1 4 . 1 1 44 44 ASN HA H 44 4.686 4.686 4.651 0.035 25716 1746 1 4 . 1 1 44 44 ASN C C 44 175.889 175.889 176.630 -0.741 25716 1747 1 4 . 1 1 44 44 ASN CA C 44 53.826 53.826 54.727 -0.901 25716 1748 1 4 . 1 1 44 44 ASN CB C 44 38.484 38.484 39.125 -0.641 25716 1749 1 4 . 1 1 44 44 ASN H H 44 8.299 8.299 7.782 0.517 25716 1750 1 4 . 1 1 45 45 ILE N N 45 122.124 122.124 121.421 0.703 25716 1751 1 4 . 1 1 45 45 ILE HA H 45 3.783 3.783 3.999 -0.216 25716 1752 1 4 . 1 1 45 45 ILE C C 45 174.370 174.370 177.210 -2.840 25716 1753 1 4 . 1 1 45 45 ILE CA C 45 64.892 64.892 64.023 0.869 25716 1754 1 4 . 1 1 45 45 ILE CB C 45 37.778 37.778 38.236 -0.458 25716 1755 1 4 . 1 1 45 45 ILE H H 45 8.417 8.417 7.994 0.423 25716 1756 1 4 . 1 1 46 46 VAL N N 46 120.176 120.176 116.947 3.229 25716 1757 1 4 . 1 1 46 46 VAL HA H 46 3.714 3.714 3.776 -0.062 25716 1758 1 4 . 1 1 46 46 VAL C C 46 175.129 175.129 177.446 -2.317 25716 1759 1 4 . 1 1 46 46 VAL CA C 46 66.227 66.227 66.003 0.224 25716 1760 1 4 . 1 1 46 46 VAL CB C 46 31.294 31.294 30.834 0.461 25716 1761 1 4 . 1 1 46 46 VAL H H 46 7.394 7.394 7.551 -0.157 25716 1762 1 4 . 1 1 47 47 LYS N N 47 118.640 118.640 119.715 -1.075 25716 1763 1 4 . 1 1 47 47 LYS HA H 47 4.005 4.005 4.230 -0.225 25716 1764 1 4 . 1 1 47 47 LYS CA C 47 60.033 60.033 58.826 1.207 25716 1765 1 4 . 1 1 47 47 LYS CB C 47 32.093 32.093 31.591 0.502 25716 1766 1 4 . 1 1 47 47 LYS H H 47 7.221 7.221 7.939 -0.718 25716 1767 1 4 . 1 1 48 48 LEU N N 48 119.812 119.812 120.667 -0.855 25716 1768 1 4 . 1 1 48 48 LEU HA H 48 4.261 4.261 4.222 0.039 25716 1769 1 4 . 1 1 48 48 LEU C C 48 175.105 175.105 178.936 -3.831 25716 1770 1 4 . 1 1 48 48 LEU CA C 48 57.717 57.717 57.909 -0.192 25716 1771 1 4 . 1 1 48 48 LEU CB C 48 41.683 41.683 41.906 -0.223 25716 1772 1 4 . 1 1 48 48 LEU H H 48 7.812 7.812 7.465 0.347 25716 1773 1 4 . 1 1 49 49 MET N N 49 118.031 118.031 117.202 0.829 25716 1774 1 4 . 1 1 49 49 MET HA H 49 3.919 3.919 4.129 -0.210 25716 1775 1 4 . 1 1 49 49 MET C C 49 176.673 176.673 179.029 -2.356 25716 1776 1 4 . 1 1 49 49 MET CA C 49 60.304 60.304 59.521 0.783 25716 1777 1 4 . 1 1 49 49 MET CB C 49 33.071 33.071 32.529 0.542 25716 1778 1 4 . 1 1 49 49 MET H H 49 8.583 8.583 7.802 0.781 25716 1779 1 4 . 1 1 50 50 VAL N N 50 122.370 122.370 115.588 6.782 25716 1780 1 4 . 1 1 50 50 VAL HA H 50 3.497 3.497 3.792 -0.295 25716 1781 1 4 . 1 1 50 50 VAL C C 50 173.639 173.639 177.176 -3.537 25716 1782 1 4 . 1 1 50 50 VAL CA C 50 67.182 67.182 65.736 1.446 25716 1783 1 4 . 1 1 50 50 VAL CB C 50 31.551 31.551 31.444 0.107 25716 1784 1 4 . 1 1 50 50 VAL H H 50 8.246 8.246 7.764 0.482 25716 1785 1 4 . 1 1 51 51 TYR N N 51 121.444 121.444 122.448 -1.004 25716 1786 1 4 . 1 1 51 51 TYR HA H 51 4.110 4.110 3.984 0.126 25716 1787 1 4 . 1 1 51 51 TYR C C 51 174.688 174.688 176.968 -2.280 25716 1788 1 4 . 1 1 51 51 TYR CA C 51 61.795 61.795 61.731 0.064 25716 1789 1 4 . 1 1 51 51 TYR CB C 51 38.036 38.036 38.288 -0.252 25716 1790 1 4 . 1 1 51 51 TYR H H 51 7.774 7.774 7.289 0.485 25716 1791 1 4 . 1 1 52 52 ILE N N 52 118.347 118.347 118.901 -0.554 25716 1792 1 4 . 1 1 52 52 ILE HA H 52 3.283 3.283 3.651 -0.368 25716 1793 1 4 . 1 1 52 52 ILE C C 52 175.421 175.421 177.838 -2.417 25716 1794 1 4 . 1 1 52 52 ILE CA C 52 65.477 65.477 64.089 1.388 25716 1795 1 4 . 1 1 52 52 ILE CB C 52 38.703 38.703 37.410 1.293 25716 1796 1 4 . 1 1 52 52 ILE H H 52 8.388 8.388 8.471 -0.083 25716 1797 1 4 . 1 1 53 53 ARG N N 53 121.323 121.323 120.019 1.304 25716 1798 1 4 . 1 1 53 53 ARG HA H 53 3.920 3.920 3.960 -0.040 25716 1799 1 4 . 1 1 53 53 ARG C C 53 176.463 176.463 177.882 -1.419 25716 1800 1 4 . 1 1 53 53 ARG CA C 53 59.458 59.458 59.783 -0.325 25716 1801 1 4 . 1 1 53 53 ARG CB C 53 30.296 30.296 29.966 0.330 25716 1802 1 4 . 1 1 53 53 ARG H H 53 7.831 7.831 7.744 0.087 25716 1803 1 4 . 1 1 54 54 ASP N N 54 119.945 119.945 118.023 1.922 25716 1804 1 4 . 1 1 54 54 ASP HA H 54 4.319 4.319 4.446 -0.127 25716 1805 1 4 . 1 1 54 54 ASP C C 54 175.314 175.314 178.109 -2.795 25716 1806 1 4 . 1 1 54 54 ASP CA C 54 57.126 57.126 56.585 0.541 25716 1807 1 4 . 1 1 54 54 ASP CB C 54 40.074 40.074 40.958 -0.884 25716 1808 1 4 . 1 1 54 54 ASP H H 54 8.760 8.760 7.574 1.186 25716 1809 1 4 . 1 1 55 55 GLU N N 55 117.530 117.530 119.098 -1.568 25716 1810 1 4 . 1 1 55 55 GLU HA H 55 4.239 4.239 3.973 0.266 25716 1811 1 4 . 1 1 55 55 GLU C C 55 175.224 175.224 177.770 -2.546 25716 1812 1 4 . 1 1 55 55 GLU CA C 55 56.852 56.852 57.970 -1.118 25716 1813 1 4 . 1 1 55 55 GLU CB C 55 29.329 29.329 29.698 -0.369 25716 1814 1 4 . 1 1 55 55 GLU H H 55 8.701 8.701 8.187 0.514 25716 1815 1 4 . 1 1 56 56 MET N N 56 113.874 113.874 115.386 -1.512 25716 1816 1 4 . 1 1 56 56 MET HA H 56 4.566 4.566 4.378 0.188 25716 1817 1 4 . 1 1 56 56 MET C C 56 173.968 173.968 177.275 -3.307 25716 1818 1 4 . 1 1 56 56 MET CA C 56 55.539 55.539 54.846 0.693 25716 1819 1 4 . 1 1 56 56 MET CB C 56 34.094 34.094 33.852 0.242 25716 1820 1 4 . 1 1 56 56 MET H H 56 7.464 7.464 7.684 -0.220 25716 1821 1 4 . 1 1 57 57 GLY N N 57 107.900 107.900 106.851 1.049 25716 1822 1 4 . 1 1 57 57 GLY C C 57 171.496 171.496 174.116 -2.620 25716 1823 1 4 . 1 1 57 57 GLY CA C 57 46.561 46.561 45.486 1.075 25716 1824 1 4 . 1 1 57 57 GLY H H 57 7.291 7.291 7.861 -0.570 25716 1825 1 4 . 1 1 58 58 VAL N N 58 117.126 117.126 120.437 -3.311 25716 1826 1 4 . 1 1 58 58 VAL HA H 58 4.283 4.283 4.245 0.038 25716 1827 1 4 . 1 1 58 58 VAL C C 58 171.116 171.116 174.923 -3.807 25716 1828 1 4 . 1 1 58 58 VAL CA C 58 60.487 60.487 61.055 -0.568 25716 1829 1 4 . 1 1 58 58 VAL CB C 58 34.837 34.837 32.572 2.265 25716 1830 1 4 . 1 1 58 58 VAL H H 58 6.970 6.970 7.454 -0.484 25716 1831 1 4 . 1 1 59 59 SER N N 59 122.188 122.188 122.377 -0.189 25716 1832 1 4 . 1 1 59 59 SER HA H 59 4.432 4.432 4.535 -0.103 25716 1833 1 4 . 1 1 59 59 SER C C 59 170.766 170.766 174.572 -3.806 25716 1834 1 4 . 1 1 59 59 SER CA C 59 56.563 56.563 57.305 -0.742 25716 1835 1 4 . 1 1 59 59 SER CB C 59 63.106 63.106 63.792 -0.686 25716 1836 1 4 . 1 1 59 59 SER H H 59 8.609 8.609 8.454 0.155 25716 1837 1 4 . 1 1 60 60 ILE N N 60 128.230 128.230 128.135 0.095 25716 1838 1 4 . 1 1 60 60 ILE HA H 60 4.033 4.033 4.310 -0.277 25716 1839 1 4 . 1 1 60 60 ILE CA C 60 58.127 58.127 58.780 -0.653 25716 1840 1 4 . 1 1 60 60 ILE CB C 60 38.217 38.217 37.735 0.482 25716 1841 1 4 . 1 1 60 60 ILE H H 60 8.257 8.257 8.355 -0.099 25716 1842 1 4 . 1 1 61 61 PRO HA H 61 4.501 4.501 4.651 -0.150 25716 1843 1 4 . 1 1 61 61 PRO CA C 61 62.352 62.352 62.227 0.126 25716 1844 1 4 . 1 1 61 61 PRO CB C 61 32.469 32.469 32.554 -0.085 25716 1845 1 4 . 1 1 62 62 SER HA H 62 4.058 4.058 4.206 -0.148 25716 1846 1 4 . 1 1 62 62 SER C C 62 173.269 173.269 176.658 -3.389 25716 1847 1 4 . 1 1 62 62 SER CA C 62 61.511 61.511 61.453 0.058 25716 1848 1 4 . 1 1 62 62 SER CB C 62 62.646 62.646 62.741 -0.095 25716 1849 1 4 . 1 1 63 63 THR N N 63 110.178 110.178 116.093 -5.915 25716 1850 1 4 . 1 1 63 63 THR HA H 63 4.066 4.066 4.197 -0.131 25716 1851 1 4 . 1 1 63 63 THR C C 63 172.917 172.917 174.766 -1.849 25716 1852 1 4 . 1 1 63 63 THR CA C 63 63.007 63.007 63.756 -0.749 25716 1853 1 4 . 1 1 63 63 THR CB C 63 69.323 69.323 68.720 0.603 25716 1854 1 4 . 1 1 63 63 THR H H 63 7.307 7.307 8.241 -0.934 25716 1855 1 4 . 1 1 64 64 HIS N N 64 121.862 121.862 117.524 4.338 25716 1856 1 4 . 1 1 64 64 HIS HA H 64 4.495 4.495 4.762 -0.267 25716 1857 1 4 . 1 1 64 64 HIS C C 64 171.495 171.495 175.218 -3.723 25716 1858 1 4 . 1 1 64 64 HIS CA C 64 56.203 56.203 56.231 -0.028 25716 1859 1 4 . 1 1 64 64 HIS CB C 64 29.814 29.814 30.651 -0.837 25716 1860 1 4 . 1 1 64 64 HIS H H 64 8.132 8.132 7.579 0.553 25716 1861 1 4 . 1 1 65 65 ILE N N 65 118.536 118.536 122.332 -3.796 25716 1862 1 4 . 1 1 65 65 ILE HA H 65 4.165 4.165 3.967 0.198 25716 1863 1 4 . 1 1 65 65 ILE C C 65 172.049 172.049 175.721 -3.672 25716 1864 1 4 . 1 1 65 65 ILE CA C 65 60.576 60.576 60.282 0.294 25716 1865 1 4 . 1 1 65 65 ILE CB C 65 35.561 35.561 35.154 0.407 25716 1866 1 4 . 1 1 65 65 ILE H H 65 7.223 7.223 7.345 -0.122 25716 1867 1 4 . 1 1 66 66 THR N N 66 114.529 114.529 121.712 -7.183 25716 1868 1 4 . 1 1 66 66 THR HA H 66 4.635 4.635 4.633 0.002 25716 1869 1 4 . 1 1 66 66 THR C C 66 172.176 172.176 175.409 -3.233 25716 1870 1 4 . 1 1 66 66 THR CA C 66 59.827 59.827 60.471 -0.645 25716 1871 1 4 . 1 1 66 66 THR CB C 66 70.679 70.679 72.242 -1.563 25716 1872 1 4 . 1 1 66 66 THR H H 66 7.943 7.943 7.973 -0.030 25716 1873 1 4 . 1 1 67 67 GLY N N 67 109.454 109.454 111.149 -1.695 25716 1874 1 4 . 1 1 67 67 GLY C C 67 172.080 172.080 175.766 -3.686 25716 1875 1 4 . 1 1 67 67 GLY CA C 67 47.245 47.245 46.032 1.213 25716 1876 1 4 . 1 1 67 67 GLY H H 67 8.736 8.736 8.785 -0.049 25716 1877 1 4 . 1 1 68 68 LYS N N 68 118.551 118.551 120.827 -2.276 25716 1878 1 4 . 1 1 68 68 LYS HA H 68 3.851 3.851 3.837 0.014 25716 1879 1 4 . 1 1 68 68 LYS C C 68 174.455 174.455 177.617 -3.162 25716 1880 1 4 . 1 1 68 68 LYS CA C 68 58.697 58.697 58.644 0.053 25716 1881 1 4 . 1 1 68 68 LYS CB C 68 32.350 32.350 32.090 0.260 25716 1882 1 4 . 1 1 68 68 LYS H H 68 7.968 7.968 7.329 0.639 25716 1883 1 4 . 1 1 69 69 TYR N N 69 115.203 115.203 115.705 -0.502 25716 1884 1 4 . 1 1 69 69 TYR HA H 69 4.213 4.213 4.388 -0.175 25716 1885 1 4 . 1 1 69 69 TYR C C 69 171.772 171.772 177.936 -6.164 25716 1886 1 4 . 1 1 69 69 TYR CA C 69 59.212 59.212 58.757 0.455 25716 1887 1 4 . 1 1 69 69 TYR CB C 69 38.555 38.555 39.208 -0.653 25716 1888 1 4 . 1 1 69 69 TYR H H 69 6.826 6.826 7.353 -0.527 25716 1889 1 4 . 1 1 70 70 PHE N N 70 112.140 112.140 115.863 -3.723 25716 1890 1 4 . 1 1 70 70 PHE HA H 70 4.629 4.629 4.683 -0.054 25716 1891 1 4 . 1 1 70 70 PHE C C 70 171.998 171.998 176.389 -4.391 25716 1892 1 4 . 1 1 70 70 PHE CA C 70 57.245 57.245 59.182 -1.937 25716 1893 1 4 . 1 1 70 70 PHE CB C 70 40.329 40.329 38.188 2.141 25716 1894 1 4 . 1 1 70 70 PHE H H 70 7.327 7.327 8.093 -0.766 25716 1895 1 4 . 1 1 71 71 LYS N N 71 113.603 113.603 119.356 -5.753 25716 1896 1 4 . 1 1 71 71 LYS HA H 71 3.875 3.875 4.062 -0.187 25716 1897 1 4 . 1 1 71 71 LYS C C 71 172.963 172.963 176.259 -3.296 25716 1898 1 4 . 1 1 71 71 LYS CA C 71 59.667 59.667 58.797 0.869 25716 1899 1 4 . 1 1 71 71 LYS CB C 71 33.074 33.074 32.562 0.512 25716 1900 1 4 . 1 1 71 71 LYS H H 71 6.925 6.925 7.579 -0.654 25716 1901 1 4 . 1 1 72 72 ASP N N 72 110.434 110.434 117.460 -7.026 25716 1902 1 4 . 1 1 72 72 ASP HA H 72 4.441 4.441 5.181 -0.740 25716 1903 1 4 . 1 1 72 72 ASP C C 72 172.750 172.750 176.235 -3.485 25716 1904 1 4 . 1 1 72 72 ASP CA C 72 52.378 52.378 52.847 -0.469 25716 1905 1 4 . 1 1 72 72 ASP CB C 72 42.426 42.426 45.110 -2.684 25716 1906 1 4 . 1 1 72 72 ASP H H 72 7.363 7.363 7.366 -0.003 25716 1907 1 4 . 1 1 73 73 LEU N N 73 120.273 120.273 122.948 -2.675 25716 1908 1 4 . 1 1 73 73 LEU HA H 73 3.920 3.920 3.940 -0.020 25716 1909 1 4 . 1 1 73 73 LEU C C 73 176.648 176.648 177.874 -1.226 25716 1910 1 4 . 1 1 73 73 LEU CA C 73 58.120 58.120 57.691 0.429 25716 1911 1 4 . 1 1 73 73 LEU CB C 73 42.574 42.574 42.247 0.327 25716 1912 1 4 . 1 1 73 73 LEU H H 73 9.983 9.983 8.769 1.214 25716 1913 1 4 . 1 1 74 74 ASN N N 74 119.506 119.506 118.377 1.129 25716 1914 1 4 . 1 1 74 74 ASN HA H 74 4.405 4.405 4.370 0.035 25716 1915 1 4 . 1 1 74 74 ASN C C 74 174.659 174.659 177.105 -2.446 25716 1916 1 4 . 1 1 74 74 ASN CA C 74 56.287 56.287 56.857 -0.570 25716 1917 1 4 . 1 1 74 74 ASN CB C 74 37.579 37.579 38.331 -0.752 25716 1918 1 4 . 1 1 74 74 ASN H H 74 7.893 7.893 8.247 -0.354 25716 1919 1 4 . 1 1 75 75 ALA N N 75 125.068 125.068 120.808 4.260 25716 1920 1 4 . 1 1 75 75 ALA HA H 75 4.097 4.097 4.229 -0.132 25716 1921 1 4 . 1 1 75 75 ALA C C 75 177.809 177.809 180.047 -2.238 25716 1922 1 4 . 1 1 75 75 ALA CA C 75 55.365 55.365 54.219 1.146 25716 1923 1 4 . 1 1 75 75 ALA CB C 75 18.572 18.572 18.414 0.158 25716 1924 1 4 . 1 1 75 75 ALA H H 75 8.951 8.951 7.338 1.613 25716 1925 1 4 . 1 1 76 76 ILE N N 76 119.561 119.561 119.687 -0.126 25716 1926 1 4 . 1 1 76 76 ILE HA H 76 3.615 3.615 3.251 0.364 25716 1927 1 4 . 1 1 76 76 ILE C C 76 175.344 175.344 177.282 -1.938 25716 1928 1 4 . 1 1 76 76 ILE CA C 76 65.272 65.272 64.975 0.297 25716 1929 1 4 . 1 1 76 76 ILE CB C 76 39.056 39.056 37.800 1.256 25716 1930 1 4 . 1 1 76 76 ILE H H 76 8.386 8.386 7.884 0.502 25716 1931 1 4 . 1 1 77 77 SER N N 77 114.090 114.090 115.202 -1.112 25716 1932 1 4 . 1 1 77 77 SER HA H 77 3.878 3.878 4.121 -0.243 25716 1933 1 4 . 1 1 77 77 SER C C 77 173.592 173.592 176.652 -3.060 25716 1934 1 4 . 1 1 77 77 SER CA C 77 62.733 62.733 61.792 0.941 25716 1935 1 4 . 1 1 77 77 SER CB C 77 62.864 62.864 63.040 -0.176 25716 1936 1 4 . 1 1 77 77 SER H H 77 8.250 8.250 7.964 0.286 25716 1937 1 4 . 1 1 78 78 ARG N N 78 121.670 121.670 118.668 3.002 25716 1938 1 4 . 1 1 78 78 ARG HA H 78 4.129 4.129 4.162 -0.033 25716 1939 1 4 . 1 1 78 78 ARG C C 78 176.111 176.111 178.258 -2.147 25716 1940 1 4 . 1 1 78 78 ARG CA C 78 59.328 59.328 59.006 0.322 25716 1941 1 4 . 1 1 78 78 ARG CB C 78 29.814 29.814 29.325 0.489 25716 1942 1 4 . 1 1 78 78 ARG H H 78 8.086 8.086 7.649 0.437 25716 1943 1 4 . 1 1 79 79 THR N N 79 118.928 118.928 114.606 4.322 25716 1944 1 4 . 1 1 79 79 THR HA H 79 4.525 4.525 4.168 0.357 25716 1945 1 4 . 1 1 79 79 THR C C 79 173.364 173.364 175.942 -2.578 25716 1946 1 4 . 1 1 79 79 THR CA C 79 68.289 68.289 64.699 3.590 25716 1947 1 4 . 1 1 79 79 THR CB C 79 67.268 67.268 68.430 -1.162 25716 1948 1 4 . 1 1 79 79 THR H H 79 8.351 8.351 7.321 1.030 25716 1949 1 4 . 1 1 80 80 VAL N N 80 120.643 120.643 121.888 -1.245 25716 1950 1 4 . 1 1 80 80 VAL HA H 80 3.339 3.339 3.506 -0.167 25716 1951 1 4 . 1 1 80 80 VAL C C 80 174.438 174.438 177.577 -3.139 25716 1952 1 4 . 1 1 80 80 VAL CA C 80 67.603 67.603 67.035 0.568 25716 1953 1 4 . 1 1 80 80 VAL CB C 80 31.532 31.532 31.500 0.031 25716 1954 1 4 . 1 1 80 80 VAL H H 80 8.242 8.242 7.869 0.373 25716 1955 1 4 . 1 1 81 81 GLU N N 81 118.067 118.067 118.334 -0.267 25716 1956 1 4 . 1 1 81 81 GLU HA H 81 3.943 3.943 3.883 0.060 25716 1957 1 4 . 1 1 81 81 GLU C C 81 176.961 176.961 178.971 -2.010 25716 1958 1 4 . 1 1 81 81 GLU CA C 81 59.974 59.974 59.494 0.480 25716 1959 1 4 . 1 1 81 81 GLU CB C 81 29.817 29.817 29.099 0.717 25716 1960 1 4 . 1 1 81 81 GLU H H 81 8.296 8.296 7.712 0.584 25716 1961 1 4 . 1 1 82 82 GLN N N 82 119.947 119.947 119.824 0.123 25716 1962 1 4 . 1 1 82 82 GLN HA H 82 4.110 4.110 4.098 0.012 25716 1963 1 4 . 1 1 82 82 GLN C C 82 176.023 176.023 178.284 -2.261 25716 1964 1 4 . 1 1 82 82 GLN CA C 82 58.991 58.991 58.579 0.412 25716 1965 1 4 . 1 1 82 82 GLN CB C 82 28.136 28.136 28.786 -0.650 25716 1966 1 4 . 1 1 82 82 GLN H H 82 8.444 8.444 7.370 1.074 25716 1967 1 4 . 1 1 83 83 LEU N N 83 119.916 119.916 120.525 -0.609 25716 1968 1 4 . 1 1 83 83 LEU HA H 83 4.075 4.075 4.006 0.069 25716 1969 1 4 . 1 1 83 83 LEU C C 83 177.753 177.753 179.262 -1.509 25716 1970 1 4 . 1 1 83 83 LEU CA C 83 57.453 57.453 57.494 -0.041 25716 1971 1 4 . 1 1 83 83 LEU CB C 83 41.673 41.673 41.526 0.147 25716 1972 1 4 . 1 1 83 83 LEU H H 83 8.149 8.149 8.329 -0.180 25716 1973 1 4 . 1 1 84 84 LYS N N 84 121.059 121.059 119.639 1.420 25716 1974 1 4 . 1 1 84 84 LYS HA H 84 3.951 3.951 3.867 0.084 25716 1975 1 4 . 1 1 84 84 LYS C C 84 176.055 176.055 178.693 -2.638 25716 1976 1 4 . 1 1 84 84 LYS CA C 84 59.328 59.328 59.697 -0.369 25716 1977 1 4 . 1 1 84 84 LYS CB C 84 32.291 32.291 32.297 -0.006 25716 1978 1 4 . 1 1 84 84 LYS H H 84 8.373 8.373 7.966 0.407 25716 1979 1 4 . 1 1 85 85 ALA N N 85 122.134 122.134 121.300 0.834 25716 1980 1 4 . 1 1 85 85 ALA HA H 85 4.188 4.188 4.070 0.118 25716 1981 1 4 . 1 1 85 85 ALA C C 85 177.240 177.240 179.821 -2.581 25716 1982 1 4 . 1 1 85 85 ALA CA C 85 54.423 54.423 54.981 -0.558 25716 1983 1 4 . 1 1 85 85 ALA CB C 85 18.193 18.193 18.197 -0.004 25716 1984 1 4 . 1 1 85 85 ALA H H 85 7.854 7.854 7.402 0.452 25716 1985 1 4 . 1 1 86 86 GLU N N 86 117.813 117.813 118.170 -0.357 25716 1986 1 4 . 1 1 86 86 GLU HA H 86 4.115 4.115 3.891 0.224 25716 1987 1 4 . 1 1 86 86 GLU C C 86 175.547 175.547 179.513 -3.966 25716 1988 1 4 . 1 1 86 86 GLU CA C 86 58.199 58.199 59.417 -1.218 25716 1989 1 4 . 1 1 86 86 GLU CB C 86 29.841 29.841 29.584 0.257 25716 1990 1 4 . 1 1 86 86 GLU H H 86 8.059 8.059 8.409 -0.350 25716 1991 1 4 . 1 1 87 87 SER N N 87 114.771 114.771 114.114 0.657 25716 1992 1 4 . 1 1 87 87 SER HA H 87 4.362 4.362 4.288 0.074 25716 1993 1 4 . 1 1 87 87 SER C C 87 172.405 172.405 175.853 -3.448 25716 1994 1 4 . 1 1 87 87 SER CA C 87 59.806 59.806 60.871 -1.065 25716 1995 1 4 . 1 1 87 87 SER CB C 87 63.528 63.528 63.293 0.235 25716 1996 1 4 . 1 1 87 87 SER H H 87 7.908 7.908 7.884 0.024 25716 1997 1 4 . 1 1 88 88 ALA N N 88 124.277 124.277 123.551 0.726 25716 1998 1 4 . 1 1 88 88 ALA HA H 88 4.284 4.284 4.231 0.053 25716 1999 1 4 . 1 1 88 88 ALA C C 88 175.489 175.489 178.786 -3.297 25716 2000 1 4 . 1 1 88 88 ALA CA C 88 53.087 53.087 53.954 -0.867 25716 2001 1 4 . 1 1 88 88 ALA CB C 88 18.792 18.792 19.100 -0.308 25716 2002 1 4 . 1 1 88 88 ALA H H 88 7.812 7.812 7.604 0.208 25716 2003 1 4 . 1 1 89 89 LEU N N 89 119.411 119.411 118.072 1.339 25716 2004 1 4 . 1 1 89 89 LEU HA H 89 4.219 4.219 4.170 0.049 25716 2005 1 4 . 1 1 89 89 LEU C C 89 175.025 175.025 177.789 -2.764 25716 2006 1 4 . 1 1 89 89 LEU CA C 89 55.608 55.608 56.071 -0.463 25716 2007 1 4 . 1 1 89 89 LEU CB C 89 42.213 42.213 42.375 -0.162 25716 2008 1 4 . 1 1 89 89 LEU H H 89 7.769 7.769 8.022 -0.253 25716 2009 1 5 . 1 1 2 2 ASP HA H 2 4.704 4.704 4.883 -0.179 25716 2010 1 5 . 1 1 2 2 ASP C C 2 173.822 173.822 176.530 -2.708 25716 2011 1 5 . 1 1 2 2 ASP CA C 2 54.130 54.130 53.648 0.482 25716 2012 1 5 . 1 1 2 2 ASP CB C 2 41.601 41.601 44.191 -2.590 25716 2013 1 5 . 1 1 3 3 GLY N N 3 109.376 109.376 108.635 0.741 25716 2014 1 5 . 1 1 3 3 GLY C C 3 172.786 172.786 175.805 -3.019 25716 2015 1 5 . 1 1 3 3 GLY CA C 3 46.704 46.704 47.093 -0.389 25716 2016 1 5 . 1 1 3 3 GLY H H 3 8.712 8.712 8.573 0.139 25716 2017 1 5 . 1 1 4 4 GLU N N 4 120.623 120.623 119.128 1.495 25716 2018 1 5 . 1 1 4 4 GLU HA H 4 4.207 4.207 4.019 0.188 25716 2019 1 5 . 1 1 4 4 GLU C C 4 175.198 175.198 178.281 -3.083 25716 2020 1 5 . 1 1 4 4 GLU CA C 4 58.159 58.159 58.214 -0.055 25716 2021 1 5 . 1 1 4 4 GLU CB C 4 29.793 29.793 29.266 0.527 25716 2022 1 5 . 1 1 4 4 GLU H H 4 8.280 8.280 8.791 -0.511 25716 2023 1 5 . 1 1 5 5 GLU N N 5 121.684 121.684 121.057 0.627 25716 2024 1 5 . 1 1 5 5 GLU HA H 5 4.173 4.173 4.143 0.030 25716 2025 1 5 . 1 1 5 5 GLU C C 5 175.720 175.720 178.232 -2.512 25716 2026 1 5 . 1 1 5 5 GLU CA C 5 58.648 58.648 58.889 -0.241 25716 2027 1 5 . 1 1 5 5 GLU CB C 5 29.819 29.819 29.677 0.142 25716 2028 1 5 . 1 1 5 5 GLU H H 5 8.254 8.254 7.560 0.694 25716 2029 1 5 . 1 1 6 6 VAL N N 6 120.195 120.195 119.948 0.247 25716 2030 1 5 . 1 1 6 6 VAL HA H 6 3.594 3.594 3.815 -0.221 25716 2031 1 5 . 1 1 6 6 VAL C C 6 174.638 174.638 177.515 -2.877 25716 2032 1 5 . 1 1 6 6 VAL CA C 6 66.621 66.621 65.687 0.934 25716 2033 1 5 . 1 1 6 6 VAL CB C 6 32.041 32.041 31.410 0.631 25716 2034 1 5 . 1 1 6 6 VAL H H 6 8.137 8.137 7.566 0.571 25716 2035 1 5 . 1 1 7 7 LYS N N 7 118.688 118.688 119.657 -0.969 25716 2036 1 5 . 1 1 7 7 LYS HA H 7 3.776 3.776 3.943 -0.168 25716 2037 1 5 . 1 1 7 7 LYS C C 7 175.192 175.192 178.783 -3.591 25716 2038 1 5 . 1 1 7 7 LYS CA C 7 60.903 60.903 60.439 0.464 25716 2039 1 5 . 1 1 7 7 LYS CB C 7 32.251 32.251 32.070 0.181 25716 2040 1 5 . 1 1 7 7 LYS H H 7 8.099 8.099 7.539 0.560 25716 2041 1 5 . 1 1 8 8 GLU N N 8 117.138 117.138 119.499 -2.361 25716 2042 1 5 . 1 1 8 8 GLU HA H 8 4.188 4.188 4.013 0.175 25716 2043 1 5 . 1 1 8 8 GLU C C 8 176.405 176.405 178.712 -2.307 25716 2044 1 5 . 1 1 8 8 GLU CA C 8 58.635 58.635 59.107 -0.472 25716 2045 1 5 . 1 1 8 8 GLU CB C 8 29.149 29.149 29.173 -0.024 25716 2046 1 5 . 1 1 8 8 GLU H H 8 7.875 7.875 7.913 -0.038 25716 2047 1 5 . 1 1 9 9 LYS N N 9 119.639 119.639 119.416 0.223 25716 2048 1 5 . 1 1 9 9 LYS HA H 9 4.072 4.072 4.150 -0.078 25716 2049 1 5 . 1 1 9 9 LYS C C 9 177.376 177.376 179.282 -1.906 25716 2050 1 5 . 1 1 9 9 LYS CA C 9 59.994 59.994 59.818 0.176 25716 2051 1 5 . 1 1 9 9 LYS CB C 9 32.471 32.471 32.648 -0.177 25716 2052 1 5 . 1 1 9 9 LYS H H 9 8.102 8.102 8.044 0.058 25716 2053 1 5 . 1 1 10 10 ILE N N 10 119.456 119.456 118.571 0.885 25716 2054 1 5 . 1 1 10 10 ILE HA H 10 3.713 3.713 3.704 0.009 25716 2055 1 5 . 1 1 10 10 ILE C C 10 174.153 174.153 177.894 -3.741 25716 2056 1 5 . 1 1 10 10 ILE CA C 10 65.549 65.549 64.712 0.837 25716 2057 1 5 . 1 1 10 10 ILE CB C 10 37.522 37.522 37.918 -0.396 25716 2058 1 5 . 1 1 10 10 ILE H H 10 8.210 8.210 7.900 0.310 25716 2059 1 5 . 1 1 11 11 ARG N N 11 121.172 121.172 119.611 1.561 25716 2060 1 5 . 1 1 11 11 ARG HA H 11 3.608 3.608 4.017 -0.409 25716 2061 1 5 . 1 1 11 11 ARG C C 11 174.925 174.925 178.353 -3.428 25716 2062 1 5 . 1 1 11 11 ARG CA C 11 60.617 60.617 58.865 1.752 25716 2063 1 5 . 1 1 11 11 ARG CB C 11 30.480 30.480 29.354 1.126 25716 2064 1 5 . 1 1 11 11 ARG H H 11 8.851 8.851 8.060 0.791 25716 2065 1 5 . 1 1 12 12 ARG N N 12 116.578 116.578 119.774 -3.196 25716 2066 1 5 . 1 1 12 12 ARG HA H 12 3.935 3.935 4.177 -0.242 25716 2067 1 5 . 1 1 12 12 ARG C C 12 174.817 174.817 178.269 -3.452 25716 2068 1 5 . 1 1 12 12 ARG CA C 12 59.162 59.162 57.908 1.254 25716 2069 1 5 . 1 1 12 12 ARG CB C 12 29.476 29.476 29.577 -0.101 25716 2070 1 5 . 1 1 12 12 ARG H H 12 8.126 8.126 7.735 0.391 25716 2071 1 5 . 1 1 13 13 TYR N N 13 119.994 119.994 121.106 -1.112 25716 2072 1 5 . 1 1 13 13 TYR HA H 13 4.047 4.047 4.099 -0.052 25716 2073 1 5 . 1 1 13 13 TYR C C 13 175.273 175.273 177.682 -2.409 25716 2074 1 5 . 1 1 13 13 TYR CA C 13 61.856 61.856 61.193 0.663 25716 2075 1 5 . 1 1 13 13 TYR CB C 13 38.459 38.459 37.731 0.728 25716 2076 1 5 . 1 1 13 13 TYR H H 13 7.758 7.758 7.687 0.071 25716 2077 1 5 . 1 1 14 14 ILE N N 14 117.754 117.754 119.140 -1.386 25716 2078 1 5 . 1 1 14 14 ILE HA H 14 3.239 3.239 3.441 -0.202 25716 2079 1 5 . 1 1 14 14 ILE C C 14 175.425 175.425 177.110 -1.685 25716 2080 1 5 . 1 1 14 14 ILE CA C 14 65.826 65.826 65.321 0.505 25716 2081 1 5 . 1 1 14 14 ILE CB C 14 37.782 37.782 37.559 0.223 25716 2082 1 5 . 1 1 14 14 ILE H H 14 8.464 8.464 7.625 0.839 25716 2083 1 5 . 1 1 15 15 MET N N 15 116.173 116.173 116.694 -0.521 25716 2084 1 5 . 1 1 15 15 MET HA H 15 3.939 3.939 4.173 -0.234 25716 2085 1 5 . 1 1 15 15 MET C C 15 174.676 174.676 177.602 -2.926 25716 2086 1 5 . 1 1 15 15 MET CA C 15 59.276 59.276 58.848 0.428 25716 2087 1 5 . 1 1 15 15 MET CB C 15 32.885 32.885 32.321 0.564 25716 2088 1 5 . 1 1 15 15 MET H H 15 8.265 8.265 7.230 1.035 25716 2089 1 5 . 1 1 16 16 GLU N N 16 116.398 116.398 117.752 -1.354 25716 2090 1 5 . 1 1 16 16 GLU HA H 16 3.980 3.980 4.129 -0.149 25716 2091 1 5 . 1 1 16 16 GLU C C 16 175.158 175.158 178.207 -3.049 25716 2092 1 5 . 1 1 16 16 GLU CA C 16 58.767 58.767 58.469 0.298 25716 2093 1 5 . 1 1 16 16 GLU CB C 16 30.078 30.078 29.904 0.174 25716 2094 1 5 . 1 1 16 16 GLU H H 16 8.619 8.619 7.716 0.903 25716 2095 1 5 . 1 1 17 17 ASP N N 17 116.973 116.973 117.897 -0.924 25716 2096 1 5 . 1 1 17 17 ASP HA H 17 4.591 4.591 4.521 0.070 25716 2097 1 5 . 1 1 17 17 ASP C C 17 174.240 174.240 177.998 -3.758 25716 2098 1 5 . 1 1 17 17 ASP CA C 17 55.438 55.438 55.469 -0.032 25716 2099 1 5 . 1 1 17 17 ASP CB C 17 42.657 42.657 41.608 1.049 25716 2100 1 5 . 1 1 17 17 ASP H H 17 8.119 8.119 7.675 0.444 25716 2101 1 5 . 1 1 18 18 LEU N N 18 115.667 115.667 119.946 -4.279 25716 2102 1 5 . 1 1 18 18 LEU HA H 18 4.488 4.488 4.150 0.338 25716 2103 1 5 . 1 1 18 18 LEU C C 18 175.062 175.062 177.817 -2.755 25716 2104 1 5 . 1 1 18 18 LEU CA C 18 56.075 56.075 56.922 -0.847 25716 2105 1 5 . 1 1 18 18 LEU CB C 18 41.096 41.096 42.553 -1.457 25716 2106 1 5 . 1 1 18 18 LEU H H 18 7.162 7.162 7.170 -0.008 25716 2107 1 5 . 1 1 19 19 ILE N N 19 120.763 120.763 116.427 4.336 25716 2108 1 5 . 1 1 19 19 ILE HA H 19 3.979 3.979 4.267 -0.288 25716 2109 1 5 . 1 1 19 19 ILE C C 19 174.557 174.557 176.144 -1.587 25716 2110 1 5 . 1 1 19 19 ILE CA C 19 63.809 63.809 61.172 2.637 25716 2111 1 5 . 1 1 19 19 ILE CB C 19 38.044 38.044 39.940 -1.896 25716 2112 1 5 . 1 1 19 19 ILE H H 19 8.017 8.017 7.856 0.161 25716 2113 1 5 . 1 1 20 20 GLY N N 20 108.619 108.619 111.096 -2.477 25716 2114 1 5 . 1 1 20 20 GLY CA C 20 44.560 44.560 45.148 -0.588 25716 2115 1 5 . 1 1 20 20 GLY H H 20 8.126 8.126 8.453 -0.327 25716 2116 1 5 . 1 1 21 21 PRO HA H 21 4.385 4.385 4.522 -0.137 25716 2117 1 5 . 1 1 21 21 PRO C C 21 174.855 174.855 176.595 -1.740 25716 2118 1 5 . 1 1 21 21 PRO CA C 21 64.406 64.406 63.260 1.146 25716 2119 1 5 . 1 1 21 21 PRO CB C 21 32.027 32.027 32.243 -0.216 25716 2120 1 5 . 1 1 22 22 SER N N 22 114.165 114.165 114.053 0.112 25716 2121 1 5 . 1 1 22 22 SER HA H 22 4.394 4.394 4.427 -0.033 25716 2122 1 5 . 1 1 22 22 SER C C 22 171.708 171.708 173.916 -2.208 25716 2123 1 5 . 1 1 22 22 SER CA C 22 58.871 58.871 58.155 0.716 25716 2124 1 5 . 1 1 22 22 SER CB C 22 63.473 63.473 62.550 0.923 25716 2125 1 5 . 1 1 22 22 SER H H 22 8.279 8.279 7.984 0.295 25716 2126 1 5 . 1 1 23 23 ALA N N 23 125.151 125.151 123.370 1.781 25716 2127 1 5 . 1 1 23 23 ALA HA H 23 4.250 4.250 4.555 -0.305 25716 2128 1 5 . 1 1 23 23 ALA C C 23 174.903 174.903 176.067 -1.164 25716 2129 1 5 . 1 1 23 23 ALA CA C 23 52.851 52.851 51.235 1.616 25716 2130 1 5 . 1 1 23 23 ALA CB C 23 19.376 19.376 19.379 -0.003 25716 2131 1 5 . 1 1 23 23 ALA H H 23 8.040 8.040 7.427 0.613 25716 2132 1 5 . 1 1 24 24 LYS N N 24 120.823 120.823 122.139 -1.316 25716 2133 1 5 . 1 1 24 24 LYS HA H 24 4.346 4.346 4.143 0.203 25716 2134 1 5 . 1 1 24 24 LYS C C 24 174.522 174.522 178.686 -4.164 25716 2135 1 5 . 1 1 24 24 LYS CA C 24 55.938 55.938 55.786 0.152 25716 2136 1 5 . 1 1 24 24 LYS CB C 24 33.187 33.187 32.954 0.233 25716 2137 1 5 . 1 1 24 24 LYS H H 24 8.306 8.306 8.162 0.144 25716 2138 1 5 . 1 1 25 25 GLU N N 25 121.186 121.186 120.498 0.688 25716 2139 1 5 . 1 1 25 25 GLU HA H 25 4.114 4.114 3.914 0.200 25716 2140 1 5 . 1 1 25 25 GLU C C 25 173.808 173.808 176.697 -2.889 25716 2141 1 5 . 1 1 25 25 GLU CA C 25 58.023 58.023 59.351 -1.328 25716 2142 1 5 . 1 1 25 25 GLU CB C 25 29.769 29.769 29.548 0.221 25716 2143 1 5 . 1 1 25 25 GLU H H 25 8.569 8.569 8.951 -0.382 25716 2144 1 5 . 1 1 26 26 ASP N N 26 117.111 117.111 117.276 -0.165 25716 2145 1 5 . 1 1 26 26 ASP HA H 26 4.569 4.569 4.880 -0.311 25716 2146 1 5 . 1 1 26 26 ASP C C 26 173.265 173.265 175.732 -2.467 25716 2147 1 5 . 1 1 26 26 ASP CA C 26 54.061 54.061 53.705 0.356 25716 2148 1 5 . 1 1 26 26 ASP CB C 26 40.742 40.742 40.785 -0.043 25716 2149 1 5 . 1 1 26 26 ASP H H 26 8.139 8.139 8.290 -0.151 25716 2150 1 5 . 1 1 27 27 GLU N N 27 118.932 118.932 120.079 -1.147 25716 2151 1 5 . 1 1 27 27 GLU HA H 27 4.239 4.239 4.392 -0.153 25716 2152 1 5 . 1 1 27 27 GLU C C 27 172.838 172.838 176.671 -3.833 25716 2153 1 5 . 1 1 27 27 GLU CA C 27 56.645 56.645 58.017 -1.372 25716 2154 1 5 . 1 1 27 27 GLU CB C 27 30.703 30.703 30.683 0.020 25716 2155 1 5 . 1 1 27 27 GLU H H 27 7.859 7.859 8.026 -0.167 25716 2156 1 5 . 1 1 28 28 LEU N N 28 121.726 121.726 120.917 0.809 25716 2157 1 5 . 1 1 28 28 LEU HA H 28 4.570 4.570 4.362 0.208 25716 2158 1 5 . 1 1 28 28 LEU C C 28 172.438 172.438 175.423 -2.985 25716 2159 1 5 . 1 1 28 28 LEU CA C 28 54.503 54.503 53.760 0.743 25716 2160 1 5 . 1 1 28 28 LEU CB C 28 43.342 43.342 40.737 2.605 25716 2161 1 5 . 1 1 28 28 LEU H H 28 7.671 7.671 7.821 -0.150 25716 2162 1 5 . 1 1 29 29 ASP N N 29 126.685 126.685 124.251 2.434 25716 2163 1 5 . 1 1 29 29 ASP HA H 29 4.822 4.822 4.775 0.047 25716 2164 1 5 . 1 1 29 29 ASP C C 29 173.732 173.732 175.878 -2.146 25716 2165 1 5 . 1 1 29 29 ASP CA C 29 52.855 52.855 52.498 0.357 25716 2166 1 5 . 1 1 29 29 ASP CB C 29 43.124 43.124 44.612 -1.488 25716 2167 1 5 . 1 1 29 29 ASP H H 29 8.950 8.950 8.116 0.834 25716 2168 1 5 . 1 1 30 30 ASP N N 30 120.317 120.317 118.058 2.259 25716 2169 1 5 . 1 1 30 30 ASP HA H 30 4.247 4.247 4.382 -0.135 25716 2170 1 5 . 1 1 30 30 ASP C C 30 172.143 172.143 176.370 -4.227 25716 2171 1 5 . 1 1 30 30 ASP CA C 30 57.352 57.352 56.300 1.052 25716 2172 1 5 . 1 1 30 30 ASP CB C 30 40.160 40.160 41.130 -0.970 25716 2173 1 5 . 1 1 30 30 ASP H H 30 8.500 8.500 8.507 -0.007 25716 2174 1 5 . 1 1 31 31 GLN N N 31 111.109 111.109 117.360 -6.251 25716 2175 1 5 . 1 1 31 31 GLN HA H 31 4.590 4.590 4.490 0.100 25716 2176 1 5 . 1 1 31 31 GLN C C 31 174.343 174.343 175.285 -0.942 25716 2177 1 5 . 1 1 31 31 GLN CA C 31 54.437 54.437 54.729 -0.292 25716 2178 1 5 . 1 1 31 31 GLN CB C 31 30.038 30.038 29.872 0.166 25716 2179 1 5 . 1 1 31 31 GLN H H 31 8.234 8.234 8.006 0.228 25716 2180 1 5 . 1 1 32 32 THR N N 32 123.333 123.333 120.111 3.222 25716 2181 1 5 . 1 1 32 32 THR HA H 32 3.856 3.856 4.130 -0.274 25716 2182 1 5 . 1 1 32 32 THR CA C 32 62.805 62.805 62.232 0.573 25716 2183 1 5 . 1 1 32 32 THR CB C 32 69.907 69.907 68.716 1.191 25716 2184 1 5 . 1 1 32 32 THR H H 32 7.663 7.663 7.247 0.416 25716 2185 1 5 . 1 1 33 33 PRO HA H 33 4.823 4.823 4.812 0.011 25716 2186 1 5 . 1 1 33 33 PRO C C 33 172.190 172.190 176.996 -4.806 25716 2187 1 5 . 1 1 33 33 PRO CA C 33 61.670 61.670 62.654 -0.985 25716 2188 1 5 . 1 1 33 33 PRO CB C 33 29.880 29.880 31.082 -1.202 25716 2189 1 5 . 1 1 34 34 LEU N N 34 126.562 126.562 122.913 3.649 25716 2190 1 5 . 1 1 34 34 LEU HA H 34 3.820 3.820 3.673 0.147 25716 2191 1 5 . 1 1 34 34 LEU C C 34 176.590 176.590 178.524 -1.934 25716 2192 1 5 . 1 1 34 34 LEU CA C 34 57.808 57.808 57.901 -0.093 25716 2193 1 5 . 1 1 34 34 LEU CB C 34 42.569 42.569 41.436 1.133 25716 2194 1 5 . 1 1 34 34 LEU H H 34 7.988 7.988 7.883 0.105 25716 2195 1 5 . 1 1 35 35 LEU N N 35 117.687 117.687 118.209 -0.522 25716 2196 1 5 . 1 1 35 35 LEU HA H 35 4.539 4.539 4.102 0.437 25716 2197 1 5 . 1 1 35 35 LEU C C 35 178.411 178.411 178.567 -0.156 25716 2198 1 5 . 1 1 35 35 LEU CA C 35 56.531 56.531 57.861 -1.330 25716 2199 1 5 . 1 1 35 35 LEU CB C 35 41.338 41.338 42.007 -0.669 25716 2200 1 5 . 1 1 35 35 LEU H H 35 8.184 8.184 7.427 0.757 25716 2201 1 5 . 1 1 36 36 GLU N N 36 121.488 121.488 117.581 3.907 25716 2202 1 5 . 1 1 36 36 GLU HA H 36 4.118 4.118 4.140 -0.022 25716 2203 1 5 . 1 1 36 36 GLU C C 36 175.984 175.984 178.546 -2.562 25716 2204 1 5 . 1 1 36 36 GLU CA C 36 59.264 59.264 58.706 0.558 25716 2205 1 5 . 1 1 36 36 GLU CB C 36 29.608 29.608 28.953 0.655 25716 2206 1 5 . 1 1 36 36 GLU H H 36 7.857 7.857 8.173 -0.316 25716 2207 1 5 . 1 1 37 37 TRP N N 37 115.319 115.319 119.200 -3.881 25716 2208 1 5 . 1 1 37 37 TRP HA H 37 4.950 4.950 4.562 0.388 25716 2209 1 5 . 1 1 37 37 TRP C C 37 174.270 174.270 177.535 -3.265 25716 2210 1 5 . 1 1 37 37 TRP CA C 37 56.075 56.075 58.291 -2.216 25716 2211 1 5 . 1 1 37 37 TRP CB C 37 29.050 29.050 28.919 0.131 25716 2212 1 5 . 1 1 37 37 TRP H H 37 8.180 8.180 8.400 -0.220 25716 2213 1 5 . 1 1 38 38 GLY N N 38 106.793 106.793 107.255 -0.462 25716 2214 1 5 . 1 1 38 38 GLY C C 38 171.784 171.784 175.675 -3.891 25716 2215 1 5 . 1 1 38 38 GLY CA C 38 46.275 46.275 45.872 0.403 25716 2216 1 5 . 1 1 38 38 GLY H H 38 7.704 7.704 7.726 -0.022 25716 2217 1 5 . 1 1 39 39 ILE N N 39 120.597 120.597 115.038 5.559 25716 2218 1 5 . 1 1 39 39 ILE HA H 39 3.753 3.753 4.159 -0.406 25716 2219 1 5 . 1 1 39 39 ILE C C 39 174.148 174.148 175.231 -1.083 25716 2220 1 5 . 1 1 39 39 ILE CA C 39 63.934 63.934 62.316 1.618 25716 2221 1 5 . 1 1 39 39 ILE CB C 39 38.673 38.673 38.305 0.368 25716 2222 1 5 . 1 1 39 39 ILE H H 39 7.697 7.697 7.380 0.317 25716 2223 1 5 . 1 1 40 40 LEU N N 40 115.102 115.102 122.246 -7.144 25716 2224 1 5 . 1 1 40 40 LEU HA H 40 4.934 4.934 4.720 0.214 25716 2225 1 5 . 1 1 40 40 LEU C C 40 172.286 172.286 175.890 -3.604 25716 2226 1 5 . 1 1 40 40 LEU CA C 40 52.249 52.249 53.865 -1.616 25716 2227 1 5 . 1 1 40 40 LEU CB C 40 43.454 43.454 41.217 2.237 25716 2228 1 5 . 1 1 40 40 LEU H H 40 7.307 7.307 7.707 -0.400 25716 2229 1 5 . 1 1 41 41 ASN N N 41 117.306 117.306 121.707 -4.401 25716 2230 1 5 . 1 1 41 41 ASN HA H 41 4.589 4.589 4.770 -0.181 25716 2231 1 5 . 1 1 41 41 ASN C C 41 171.807 171.807 175.398 -3.591 25716 2232 1 5 . 1 1 41 41 ASN CA C 41 52.017 52.017 51.940 0.077 25716 2233 1 5 . 1 1 41 41 ASN CB C 41 39.872 39.872 40.124 -0.252 25716 2234 1 5 . 1 1 41 41 ASN H H 41 8.466 8.466 7.901 0.565 25716 2235 1 5 . 1 1 42 42 SER N N 42 113.236 113.236 114.718 -1.482 25716 2236 1 5 . 1 1 42 42 SER HA H 42 4.116 4.116 4.251 -0.135 25716 2237 1 5 . 1 1 42 42 SER C C 42 171.631 171.631 176.361 -4.730 25716 2238 1 5 . 1 1 42 42 SER CA C 42 60.951 60.951 61.483 -0.532 25716 2239 1 5 . 1 1 42 42 SER CB C 42 65.868 65.868 62.632 3.236 25716 2240 1 5 . 1 1 42 42 SER H H 42 9.138 9.138 8.567 0.571 25716 2241 1 5 . 1 1 43 43 MET N N 43 118.797 118.797 118.473 0.324 25716 2242 1 5 . 1 1 43 43 MET HA H 43 4.467 4.467 4.314 0.153 25716 2243 1 5 . 1 1 43 43 MET CA C 43 57.429 57.429 57.205 0.224 25716 2244 1 5 . 1 1 43 43 MET CB C 43 32.494 32.494 31.179 1.315 25716 2245 1 5 . 1 1 43 43 MET H H 43 8.292 8.292 8.361 -0.069 25716 2246 1 5 . 1 1 44 44 ASN N N 44 117.701 117.701 119.752 -2.051 25716 2247 1 5 . 1 1 44 44 ASN HA H 44 4.686 4.686 4.603 0.083 25716 2248 1 5 . 1 1 44 44 ASN C C 44 175.889 175.889 177.508 -1.619 25716 2249 1 5 . 1 1 44 44 ASN CA C 44 53.826 53.826 56.418 -2.592 25716 2250 1 5 . 1 1 44 44 ASN CB C 44 38.484 38.484 39.248 -0.764 25716 2251 1 5 . 1 1 44 44 ASN H H 44 8.299 8.299 7.938 0.361 25716 2252 1 5 . 1 1 45 45 ILE N N 45 122.124 122.124 122.008 0.116 25716 2253 1 5 . 1 1 45 45 ILE HA H 45 3.783 3.783 3.865 -0.082 25716 2254 1 5 . 1 1 45 45 ILE C C 45 174.370 174.370 177.388 -3.018 25716 2255 1 5 . 1 1 45 45 ILE CA C 45 64.892 64.892 64.000 0.892 25716 2256 1 5 . 1 1 45 45 ILE CB C 45 37.778 37.778 37.920 -0.143 25716 2257 1 5 . 1 1 45 45 ILE H H 45 8.417 8.417 8.230 0.187 25716 2258 1 5 . 1 1 46 46 VAL N N 46 120.176 120.176 116.609 3.567 25716 2259 1 5 . 1 1 46 46 VAL HA H 46 3.714 3.714 3.762 -0.048 25716 2260 1 5 . 1 1 46 46 VAL C C 46 175.129 175.129 177.578 -2.449 25716 2261 1 5 . 1 1 46 46 VAL CA C 46 66.227 66.227 65.961 0.266 25716 2262 1 5 . 1 1 46 46 VAL CB C 46 31.294 31.294 30.452 0.842 25716 2263 1 5 . 1 1 46 46 VAL H H 46 7.394 7.394 7.571 -0.177 25716 2264 1 5 . 1 1 47 47 LYS N N 47 118.640 118.640 119.989 -1.349 25716 2265 1 5 . 1 1 47 47 LYS HA H 47 4.005 4.005 4.255 -0.250 25716 2266 1 5 . 1 1 47 47 LYS CA C 47 60.033 60.033 59.459 0.574 25716 2267 1 5 . 1 1 47 47 LYS CB C 47 32.093 32.093 32.255 -0.162 25716 2268 1 5 . 1 1 47 47 LYS H H 47 7.221 7.221 7.688 -0.467 25716 2269 1 5 . 1 1 48 48 LEU N N 48 119.812 119.812 121.006 -1.194 25716 2270 1 5 . 1 1 48 48 LEU HA H 48 4.261 4.261 4.146 0.115 25716 2271 1 5 . 1 1 48 48 LEU C C 48 175.105 175.105 178.589 -3.484 25716 2272 1 5 . 1 1 48 48 LEU CA C 48 57.717 57.717 57.961 -0.244 25716 2273 1 5 . 1 1 48 48 LEU CB C 48 41.683 41.683 41.929 -0.246 25716 2274 1 5 . 1 1 48 48 LEU H H 48 7.812 7.812 7.493 0.319 25716 2275 1 5 . 1 1 49 49 MET N N 49 118.031 118.031 119.303 -1.272 25716 2276 1 5 . 1 1 49 49 MET HA H 49 3.919 3.919 4.142 -0.223 25716 2277 1 5 . 1 1 49 49 MET C C 49 176.673 176.673 178.380 -1.707 25716 2278 1 5 . 1 1 49 49 MET CA C 49 60.304 60.304 59.320 0.984 25716 2279 1 5 . 1 1 49 49 MET CB C 49 33.071 33.071 32.831 0.240 25716 2280 1 5 . 1 1 49 49 MET H H 49 8.583 8.583 8.398 0.185 25716 2281 1 5 . 1 1 50 50 VAL N N 50 122.370 122.370 115.841 6.529 25716 2282 1 5 . 1 1 50 50 VAL HA H 50 3.497 3.497 3.818 -0.321 25716 2283 1 5 . 1 1 50 50 VAL C C 50 173.639 173.639 177.171 -3.532 25716 2284 1 5 . 1 1 50 50 VAL CA C 50 67.182 67.182 65.077 2.105 25716 2285 1 5 . 1 1 50 50 VAL CB C 50 31.551 31.551 30.626 0.925 25716 2286 1 5 . 1 1 50 50 VAL H H 50 8.246 8.246 7.717 0.529 25716 2287 1 5 . 1 1 51 51 TYR N N 51 121.444 121.444 122.754 -1.310 25716 2288 1 5 . 1 1 51 51 TYR HA H 51 4.110 4.110 3.951 0.159 25716 2289 1 5 . 1 1 51 51 TYR C C 51 174.688 174.688 177.487 -2.799 25716 2290 1 5 . 1 1 51 51 TYR CA C 51 61.795 61.795 61.868 -0.073 25716 2291 1 5 . 1 1 51 51 TYR CB C 51 38.036 38.036 38.161 -0.125 25716 2292 1 5 . 1 1 51 51 TYR H H 51 7.774 7.774 7.563 0.211 25716 2293 1 5 . 1 1 52 52 ILE N N 52 118.347 118.347 117.378 0.969 25716 2294 1 5 . 1 1 52 52 ILE HA H 52 3.283 3.283 3.583 -0.300 25716 2295 1 5 . 1 1 52 52 ILE C C 52 175.421 175.421 178.210 -2.789 25716 2296 1 5 . 1 1 52 52 ILE CA C 52 65.477 65.477 65.026 0.451 25716 2297 1 5 . 1 1 52 52 ILE CB C 52 38.703 38.703 37.534 1.169 25716 2298 1 5 . 1 1 52 52 ILE H H 52 8.388 8.388 8.290 0.098 25716 2299 1 5 . 1 1 53 53 ARG N N 53 121.323 121.323 120.391 0.932 25716 2300 1 5 . 1 1 53 53 ARG HA H 53 3.920 3.920 4.045 -0.124 25716 2301 1 5 . 1 1 53 53 ARG C C 53 176.463 176.463 178.163 -1.700 25716 2302 1 5 . 1 1 53 53 ARG CA C 53 59.458 59.458 59.630 -0.172 25716 2303 1 5 . 1 1 53 53 ARG CB C 53 30.296 30.296 29.906 0.390 25716 2304 1 5 . 1 1 53 53 ARG H H 53 7.831 7.831 7.577 0.254 25716 2305 1 5 . 1 1 54 54 ASP N N 54 119.945 119.945 119.632 0.313 25716 2306 1 5 . 1 1 54 54 ASP HA H 54 4.319 4.319 4.427 -0.108 25716 2307 1 5 . 1 1 54 54 ASP C C 54 175.314 175.314 177.740 -2.426 25716 2308 1 5 . 1 1 54 54 ASP CA C 54 57.126 57.126 56.533 0.593 25716 2309 1 5 . 1 1 54 54 ASP CB C 54 40.074 40.074 40.535 -0.461 25716 2310 1 5 . 1 1 54 54 ASP H H 54 8.760 8.760 7.825 0.935 25716 2311 1 5 . 1 1 55 55 GLU N N 55 117.530 117.530 118.914 -1.384 25716 2312 1 5 . 1 1 55 55 GLU HA H 55 4.239 4.239 3.984 0.255 25716 2313 1 5 . 1 1 55 55 GLU C C 55 175.224 175.224 177.982 -2.758 25716 2314 1 5 . 1 1 55 55 GLU CA C 55 56.852 56.852 57.612 -0.760 25716 2315 1 5 . 1 1 55 55 GLU CB C 55 29.329 29.329 29.546 -0.217 25716 2316 1 5 . 1 1 55 55 GLU H H 55 8.701 8.701 7.982 0.719 25716 2317 1 5 . 1 1 56 56 MET N N 56 113.874 113.874 116.367 -2.493 25716 2318 1 5 . 1 1 56 56 MET HA H 56 4.566 4.566 4.371 0.195 25716 2319 1 5 . 1 1 56 56 MET C C 56 173.968 173.968 176.839 -2.871 25716 2320 1 5 . 1 1 56 56 MET CA C 56 55.539 55.539 54.763 0.776 25716 2321 1 5 . 1 1 56 56 MET CB C 56 34.094 34.094 33.400 0.694 25716 2322 1 5 . 1 1 56 56 MET H H 56 7.464 7.464 7.680 -0.216 25716 2323 1 5 . 1 1 57 57 GLY N N 57 107.900 107.900 106.275 1.625 25716 2324 1 5 . 1 1 57 57 GLY C C 57 171.496 171.496 173.407 -1.911 25716 2325 1 5 . 1 1 57 57 GLY CA C 57 46.561 46.561 45.083 1.478 25716 2326 1 5 . 1 1 57 57 GLY H H 57 7.291 7.291 7.884 -0.593 25716 2327 1 5 . 1 1 58 58 VAL N N 58 117.126 117.126 119.841 -2.715 25716 2328 1 5 . 1 1 58 58 VAL HA H 58 4.283 4.283 4.254 0.029 25716 2329 1 5 . 1 1 58 58 VAL C C 58 171.116 171.116 174.594 -3.478 25716 2330 1 5 . 1 1 58 58 VAL CA C 58 60.487 60.487 60.660 -0.173 25716 2331 1 5 . 1 1 58 58 VAL CB C 58 34.837 34.837 32.873 1.964 25716 2332 1 5 . 1 1 58 58 VAL H H 58 6.970 6.970 7.496 -0.526 25716 2333 1 5 . 1 1 59 59 SER N N 59 122.188 122.188 122.279 -0.091 25716 2334 1 5 . 1 1 59 59 SER HA H 59 4.432 4.432 4.499 -0.067 25716 2335 1 5 . 1 1 59 59 SER C C 59 170.766 170.766 174.719 -3.953 25716 2336 1 5 . 1 1 59 59 SER CA C 59 56.563 56.563 57.465 -0.902 25716 2337 1 5 . 1 1 59 59 SER CB C 59 63.106 63.106 63.565 -0.459 25716 2338 1 5 . 1 1 59 59 SER H H 59 8.609 8.609 8.507 0.102 25716 2339 1 5 . 1 1 60 60 ILE N N 60 128.230 128.230 127.081 1.149 25716 2340 1 5 . 1 1 60 60 ILE HA H 60 4.033 4.033 4.273 -0.240 25716 2341 1 5 . 1 1 60 60 ILE CA C 60 58.127 58.127 58.456 -0.329 25716 2342 1 5 . 1 1 60 60 ILE CB C 60 38.217 38.217 37.358 0.859 25716 2343 1 5 . 1 1 60 60 ILE H H 60 8.257 8.257 8.272 -0.015 25716 2344 1 5 . 1 1 61 61 PRO HA H 61 4.501 4.501 4.676 -0.174 25716 2345 1 5 . 1 1 61 61 PRO CA C 61 62.352 62.352 62.276 0.076 25716 2346 1 5 . 1 1 61 61 PRO CB C 61 32.469 32.469 32.843 -0.374 25716 2347 1 5 . 1 1 62 62 SER HA H 62 4.058 4.058 4.244 -0.186 25716 2348 1 5 . 1 1 62 62 SER C C 62 173.269 173.269 176.288 -3.019 25716 2349 1 5 . 1 1 62 62 SER CA C 62 61.511 61.511 61.465 0.046 25716 2350 1 5 . 1 1 62 62 SER CB C 62 62.646 62.646 62.516 0.130 25716 2351 1 5 . 1 1 63 63 THR N N 63 110.178 110.178 116.420 -6.242 25716 2352 1 5 . 1 1 63 63 THR HA H 63 4.066 4.066 4.230 -0.164 25716 2353 1 5 . 1 1 63 63 THR C C 63 172.917 172.917 174.913 -1.996 25716 2354 1 5 . 1 1 63 63 THR CA C 63 63.007 63.007 64.124 -1.117 25716 2355 1 5 . 1 1 63 63 THR CB C 63 69.323 69.323 68.623 0.701 25716 2356 1 5 . 1 1 63 63 THR H H 63 7.307 7.307 8.260 -0.953 25716 2357 1 5 . 1 1 64 64 HIS N N 64 121.862 121.862 117.208 4.654 25716 2358 1 5 . 1 1 64 64 HIS HA H 64 4.495 4.495 4.799 -0.304 25716 2359 1 5 . 1 1 64 64 HIS C C 64 171.495 171.495 175.462 -3.967 25716 2360 1 5 . 1 1 64 64 HIS CA C 64 56.203 56.203 56.433 -0.230 25716 2361 1 5 . 1 1 64 64 HIS CB C 64 29.814 29.814 30.262 -0.448 25716 2362 1 5 . 1 1 64 64 HIS H H 64 8.132 8.132 7.697 0.435 25716 2363 1 5 . 1 1 65 65 ILE N N 65 118.536 118.536 121.445 -2.909 25716 2364 1 5 . 1 1 65 65 ILE HA H 65 4.165 4.165 4.350 -0.185 25716 2365 1 5 . 1 1 65 65 ILE C C 65 172.049 172.049 175.699 -3.650 25716 2366 1 5 . 1 1 65 65 ILE CA C 65 60.576 60.576 60.467 0.109 25716 2367 1 5 . 1 1 65 65 ILE CB C 65 35.561 35.561 35.395 0.166 25716 2368 1 5 . 1 1 65 65 ILE H H 65 7.223 7.223 7.353 -0.130 25716 2369 1 5 . 1 1 66 66 THR N N 66 114.529 114.529 120.847 -6.318 25716 2370 1 5 . 1 1 66 66 THR HA H 66 4.635 4.635 4.679 -0.044 25716 2371 1 5 . 1 1 66 66 THR C C 66 172.176 172.176 175.553 -3.377 25716 2372 1 5 . 1 1 66 66 THR CA C 66 59.827 59.827 60.395 -0.568 25716 2373 1 5 . 1 1 66 66 THR CB C 66 70.679 70.679 71.678 -0.999 25716 2374 1 5 . 1 1 66 66 THR H H 66 7.943 7.943 8.048 -0.105 25716 2375 1 5 . 1 1 67 67 GLY N N 67 109.454 109.454 109.662 -0.208 25716 2376 1 5 . 1 1 67 67 GLY C C 67 172.080 172.080 175.002 -2.922 25716 2377 1 5 . 1 1 67 67 GLY CA C 67 47.245 47.245 46.348 0.897 25716 2378 1 5 . 1 1 67 67 GLY H H 67 8.736 8.736 8.807 -0.071 25716 2379 1 5 . 1 1 68 68 LYS N N 68 118.551 118.551 120.268 -1.717 25716 2380 1 5 . 1 1 68 68 LYS HA H 68 3.851 3.851 3.908 -0.057 25716 2381 1 5 . 1 1 68 68 LYS C C 68 174.455 174.455 177.512 -3.057 25716 2382 1 5 . 1 1 68 68 LYS CA C 68 58.697 58.697 58.465 0.232 25716 2383 1 5 . 1 1 68 68 LYS CB C 68 32.350 32.350 32.237 0.113 25716 2384 1 5 . 1 1 68 68 LYS H H 68 7.968 7.968 7.562 0.406 25716 2385 1 5 . 1 1 69 69 TYR N N 69 115.203 115.203 114.632 0.571 25716 2386 1 5 . 1 1 69 69 TYR HA H 69 4.213 4.213 4.403 -0.190 25716 2387 1 5 . 1 1 69 69 TYR C C 69 171.772 171.772 177.585 -5.813 25716 2388 1 5 . 1 1 69 69 TYR CA C 69 59.212 59.212 59.474 -0.262 25716 2389 1 5 . 1 1 69 69 TYR CB C 69 38.555 38.555 39.221 -0.666 25716 2390 1 5 . 1 1 69 69 TYR H H 69 6.826 6.826 7.347 -0.521 25716 2391 1 5 . 1 1 70 70 PHE N N 70 112.140 112.140 115.588 -3.448 25716 2392 1 5 . 1 1 70 70 PHE HA H 70 4.629 4.629 4.746 -0.117 25716 2393 1 5 . 1 1 70 70 PHE C C 70 171.998 171.998 175.800 -3.802 25716 2394 1 5 . 1 1 70 70 PHE CA C 70 57.245 57.245 58.366 -1.121 25716 2395 1 5 . 1 1 70 70 PHE CB C 70 40.329 40.329 37.916 2.413 25716 2396 1 5 . 1 1 70 70 PHE H H 70 7.327 7.327 8.138 -0.811 25716 2397 1 5 . 1 1 71 71 LYS N N 71 113.603 113.603 117.995 -4.392 25716 2398 1 5 . 1 1 71 71 LYS HA H 71 3.875 3.875 4.235 -0.360 25716 2399 1 5 . 1 1 71 71 LYS C C 71 172.963 172.963 176.195 -3.232 25716 2400 1 5 . 1 1 71 71 LYS CA C 71 59.667 59.667 57.900 1.767 25716 2401 1 5 . 1 1 71 71 LYS CB C 71 33.074 33.074 32.998 0.076 25716 2402 1 5 . 1 1 71 71 LYS H H 71 6.925 6.925 7.702 -0.777 25716 2403 1 5 . 1 1 72 72 ASP N N 72 110.434 110.434 118.136 -7.702 25716 2404 1 5 . 1 1 72 72 ASP HA H 72 4.441 4.441 5.282 -0.841 25716 2405 1 5 . 1 1 72 72 ASP C C 72 172.750 172.750 176.162 -3.412 25716 2406 1 5 . 1 1 72 72 ASP CA C 72 52.378 52.378 52.659 -0.281 25716 2407 1 5 . 1 1 72 72 ASP CB C 72 42.426 42.426 44.907 -2.481 25716 2408 1 5 . 1 1 72 72 ASP H H 72 7.363 7.363 7.425 -0.062 25716 2409 1 5 . 1 1 73 73 LEU N N 73 120.273 120.273 121.826 -1.553 25716 2410 1 5 . 1 1 73 73 LEU HA H 73 3.920 3.920 4.014 -0.094 25716 2411 1 5 . 1 1 73 73 LEU C C 73 176.648 176.648 178.088 -1.440 25716 2412 1 5 . 1 1 73 73 LEU CA C 73 58.120 58.120 57.822 0.298 25716 2413 1 5 . 1 1 73 73 LEU CB C 73 42.574 42.574 42.335 0.239 25716 2414 1 5 . 1 1 73 73 LEU H H 73 9.983 9.983 8.717 1.266 25716 2415 1 5 . 1 1 74 74 ASN N N 74 119.506 119.506 118.659 0.847 25716 2416 1 5 . 1 1 74 74 ASN HA H 74 4.405 4.405 4.422 -0.017 25716 2417 1 5 . 1 1 74 74 ASN C C 74 174.659 174.659 177.547 -2.888 25716 2418 1 5 . 1 1 74 74 ASN CA C 74 56.287 56.287 55.977 0.310 25716 2419 1 5 . 1 1 74 74 ASN CB C 74 37.579 37.579 37.543 0.036 25716 2420 1 5 . 1 1 74 74 ASN H H 74 7.893 7.893 8.296 -0.403 25716 2421 1 5 . 1 1 75 75 ALA N N 75 125.068 125.068 122.475 2.593 25716 2422 1 5 . 1 1 75 75 ALA HA H 75 4.097 4.097 4.172 -0.075 25716 2423 1 5 . 1 1 75 75 ALA C C 75 177.809 177.809 179.922 -2.113 25716 2424 1 5 . 1 1 75 75 ALA CA C 75 55.365 55.365 54.562 0.803 25716 2425 1 5 . 1 1 75 75 ALA CB C 75 18.572 18.572 18.198 0.374 25716 2426 1 5 . 1 1 75 75 ALA H H 75 8.951 8.951 8.158 0.793 25716 2427 1 5 . 1 1 76 76 ILE N N 76 119.561 119.561 118.950 0.611 25716 2428 1 5 . 1 1 76 76 ILE HA H 76 3.615 3.615 3.328 0.287 25716 2429 1 5 . 1 1 76 76 ILE C C 76 175.344 175.344 177.486 -2.142 25716 2430 1 5 . 1 1 76 76 ILE CA C 76 65.272 65.272 64.967 0.305 25716 2431 1 5 . 1 1 76 76 ILE CB C 76 39.056 39.056 37.938 1.118 25716 2432 1 5 . 1 1 76 76 ILE H H 76 8.386 8.386 7.892 0.494 25716 2433 1 5 . 1 1 77 77 SER N N 77 114.090 114.090 115.741 -1.651 25716 2434 1 5 . 1 1 77 77 SER HA H 77 3.878 3.878 4.203 -0.325 25716 2435 1 5 . 1 1 77 77 SER C C 77 173.592 173.592 176.428 -2.836 25716 2436 1 5 . 1 1 77 77 SER CA C 77 62.733 62.733 61.441 1.292 25716 2437 1 5 . 1 1 77 77 SER CB C 77 62.864 62.864 62.538 0.326 25716 2438 1 5 . 1 1 77 77 SER H H 77 8.250 8.250 8.250 -0.000 25716 2439 1 5 . 1 1 78 78 ARG N N 78 121.670 121.670 119.784 1.886 25716 2440 1 5 . 1 1 78 78 ARG HA H 78 4.129 4.129 4.135 -0.006 25716 2441 1 5 . 1 1 78 78 ARG C C 78 176.111 176.111 178.421 -2.310 25716 2442 1 5 . 1 1 78 78 ARG CA C 78 59.328 59.328 59.218 0.110 25716 2443 1 5 . 1 1 78 78 ARG CB C 78 29.814 29.814 29.587 0.227 25716 2444 1 5 . 1 1 78 78 ARG H H 78 8.086 8.086 8.117 -0.031 25716 2445 1 5 . 1 1 79 79 THR N N 79 118.928 118.928 114.360 4.568 25716 2446 1 5 . 1 1 79 79 THR HA H 79 4.525 4.525 4.165 0.360 25716 2447 1 5 . 1 1 79 79 THR C C 79 173.364 173.364 176.103 -2.739 25716 2448 1 5 . 1 1 79 79 THR CA C 79 68.289 68.289 65.038 3.251 25716 2449 1 5 . 1 1 79 79 THR CB C 79 67.268 67.268 68.297 -1.029 25716 2450 1 5 . 1 1 79 79 THR H H 79 8.351 8.351 7.422 0.929 25716 2451 1 5 . 1 1 80 80 VAL N N 80 120.643 120.643 121.875 -1.232 25716 2452 1 5 . 1 1 80 80 VAL HA H 80 3.339 3.339 3.554 -0.215 25716 2453 1 5 . 1 1 80 80 VAL C C 80 174.438 174.438 178.057 -3.619 25716 2454 1 5 . 1 1 80 80 VAL CA C 80 67.603 67.603 66.848 0.755 25716 2455 1 5 . 1 1 80 80 VAL CB C 80 31.532 31.532 31.143 0.389 25716 2456 1 5 . 1 1 80 80 VAL H H 80 8.242 8.242 7.976 0.266 25716 2457 1 5 . 1 1 81 81 GLU N N 81 118.067 118.067 117.438 0.629 25716 2458 1 5 . 1 1 81 81 GLU HA H 81 3.943 3.943 3.966 -0.023 25716 2459 1 5 . 1 1 81 81 GLU C C 81 176.961 176.961 179.221 -2.260 25716 2460 1 5 . 1 1 81 81 GLU CA C 81 59.974 59.974 59.022 0.952 25716 2461 1 5 . 1 1 81 81 GLU CB C 81 29.817 29.817 28.803 1.014 25716 2462 1 5 . 1 1 81 81 GLU H H 81 8.296 8.296 8.005 0.291 25716 2463 1 5 . 1 1 82 82 GLN N N 82 119.947 119.947 120.141 -0.194 25716 2464 1 5 . 1 1 82 82 GLN HA H 82 4.110 4.110 4.136 -0.026 25716 2465 1 5 . 1 1 82 82 GLN C C 82 176.023 176.023 178.290 -2.267 25716 2466 1 5 . 1 1 82 82 GLN CA C 82 58.991 58.991 58.316 0.675 25716 2467 1 5 . 1 1 82 82 GLN CB C 82 28.136 28.136 28.233 -0.097 25716 2468 1 5 . 1 1 82 82 GLN H H 82 8.444 8.444 7.418 1.026 25716 2469 1 5 . 1 1 83 83 LEU N N 83 119.916 119.916 119.827 0.089 25716 2470 1 5 . 1 1 83 83 LEU HA H 83 4.075 4.075 3.856 0.219 25716 2471 1 5 . 1 1 83 83 LEU C C 83 177.753 177.753 178.897 -1.144 25716 2472 1 5 . 1 1 83 83 LEU CA C 83 57.453 57.453 57.501 -0.048 25716 2473 1 5 . 1 1 83 83 LEU CB C 83 41.673 41.673 41.410 0.263 25716 2474 1 5 . 1 1 83 83 LEU H H 83 8.149 8.149 8.529 -0.380 25716 2475 1 5 . 1 1 84 84 LYS N N 84 121.059 121.059 119.767 1.292 25716 2476 1 5 . 1 1 84 84 LYS HA H 84 3.951 3.951 3.899 0.052 25716 2477 1 5 . 1 1 84 84 LYS C C 84 176.055 176.055 178.752 -2.697 25716 2478 1 5 . 1 1 84 84 LYS CA C 84 59.328 59.328 59.581 -0.253 25716 2479 1 5 . 1 1 84 84 LYS CB C 84 32.291 32.291 32.251 0.040 25716 2480 1 5 . 1 1 84 84 LYS H H 84 8.373 8.373 8.140 0.233 25716 2481 1 5 . 1 1 85 85 ALA N N 85 122.134 122.134 121.424 0.710 25716 2482 1 5 . 1 1 85 85 ALA HA H 85 4.188 4.188 4.127 0.061 25716 2483 1 5 . 1 1 85 85 ALA C C 85 177.240 177.240 180.115 -2.875 25716 2484 1 5 . 1 1 85 85 ALA CA C 85 54.423 54.423 55.025 -0.602 25716 2485 1 5 . 1 1 85 85 ALA CB C 85 18.193 18.193 18.192 0.001 25716 2486 1 5 . 1 1 85 85 ALA H H 85 7.854 7.854 7.476 0.378 25716 2487 1 5 . 1 1 86 86 GLU N N 86 117.813 117.813 117.581 0.232 25716 2488 1 5 . 1 1 86 86 GLU HA H 86 4.115 4.115 4.049 0.066 25716 2489 1 5 . 1 1 86 86 GLU C C 86 175.547 175.547 178.942 -3.395 25716 2490 1 5 . 1 1 86 86 GLU CA C 86 58.199 58.199 58.529 -0.330 25716 2491 1 5 . 1 1 86 86 GLU CB C 86 29.841 29.841 29.225 0.616 25716 2492 1 5 . 1 1 86 86 GLU H H 86 8.059 8.059 8.110 -0.051 25716 2493 1 5 . 1 1 87 87 SER N N 87 114.771 114.771 114.800 -0.029 25716 2494 1 5 . 1 1 87 87 SER HA H 87 4.362 4.362 4.300 0.062 25716 2495 1 5 . 1 1 87 87 SER C C 87 172.405 172.405 175.948 -3.543 25716 2496 1 5 . 1 1 87 87 SER CA C 87 59.806 59.806 60.061 -0.255 25716 2497 1 5 . 1 1 87 87 SER CB C 87 63.528 63.528 62.936 0.592 25716 2498 1 5 . 1 1 87 87 SER H H 87 7.908 7.908 8.068 -0.160 25716 2499 1 5 . 1 1 88 88 ALA N N 88 124.277 124.277 124.705 -0.428 25716 2500 1 5 . 1 1 88 88 ALA HA H 88 4.284 4.284 4.128 0.156 25716 2501 1 5 . 1 1 88 88 ALA C C 88 175.489 175.489 178.725 -3.236 25716 2502 1 5 . 1 1 88 88 ALA CA C 88 53.087 53.087 54.623 -1.536 25716 2503 1 5 . 1 1 88 88 ALA CB C 88 18.792 18.792 18.815 -0.023 25716 2504 1 5 . 1 1 88 88 ALA H H 88 7.812 7.812 7.697 0.115 25716 2505 1 5 . 1 1 89 89 LEU N N 89 119.411 119.411 118.231 1.180 25716 2506 1 5 . 1 1 89 89 LEU HA H 89 4.219 4.219 4.384 -0.165 25716 2507 1 5 . 1 1 89 89 LEU C C 89 175.025 175.025 177.785 -2.760 25716 2508 1 5 . 1 1 89 89 LEU CA C 89 55.608 55.608 55.931 -0.323 25716 2509 1 5 . 1 1 89 89 LEU CB C 89 42.213 42.213 41.838 0.375 25716 2510 1 5 . 1 1 89 89 LEU H H 89 7.769 7.769 7.880 -0.111 25716 2511 1 6 . 1 1 2 2 ASP HA H 2 4.704 4.704 5.150 -0.446 25716 2512 1 6 . 1 1 2 2 ASP C C 2 173.822 173.822 177.663 -3.841 25716 2513 1 6 . 1 1 2 2 ASP CA C 2 54.130 54.130 53.428 0.702 25716 2514 1 6 . 1 1 2 2 ASP CB C 2 41.601 41.601 43.125 -1.524 25716 2515 1 6 . 1 1 3 3 GLY N N 3 109.376 109.376 109.397 -0.021 25716 2516 1 6 . 1 1 3 3 GLY C C 3 172.786 172.786 175.660 -2.874 25716 2517 1 6 . 1 1 3 3 GLY CA C 3 46.704 46.704 47.768 -1.064 25716 2518 1 6 . 1 1 3 3 GLY H H 3 8.712 8.712 8.736 -0.024 25716 2519 1 6 . 1 1 4 4 GLU N N 4 120.623 120.623 121.380 -0.757 25716 2520 1 6 . 1 1 4 4 GLU HA H 4 4.207 4.207 4.000 0.207 25716 2521 1 6 . 1 1 4 4 GLU C C 4 175.198 175.198 179.002 -3.804 25716 2522 1 6 . 1 1 4 4 GLU CA C 4 58.159 58.159 58.789 -0.630 25716 2523 1 6 . 1 1 4 4 GLU CB C 4 29.793 29.793 28.967 0.826 25716 2524 1 6 . 1 1 4 4 GLU H H 4 8.280 8.280 8.940 -0.660 25716 2525 1 6 . 1 1 5 5 GLU N N 5 121.684 121.684 121.108 0.576 25716 2526 1 6 . 1 1 5 5 GLU HA H 5 4.173 4.173 4.125 0.048 25716 2527 1 6 . 1 1 5 5 GLU C C 5 175.720 175.720 178.866 -3.146 25716 2528 1 6 . 1 1 5 5 GLU CA C 5 58.648 58.648 58.899 -0.251 25716 2529 1 6 . 1 1 5 5 GLU CB C 5 29.819 29.819 29.803 0.016 25716 2530 1 6 . 1 1 5 5 GLU H H 5 8.254 8.254 7.654 0.600 25716 2531 1 6 . 1 1 6 6 VAL N N 6 120.195 120.195 120.632 -0.437 25716 2532 1 6 . 1 1 6 6 VAL HA H 6 3.594 3.594 3.518 0.076 25716 2533 1 6 . 1 1 6 6 VAL C C 6 174.638 174.638 178.077 -3.439 25716 2534 1 6 . 1 1 6 6 VAL CA C 6 66.621 66.621 66.731 -0.110 25716 2535 1 6 . 1 1 6 6 VAL CB C 6 32.041 32.041 31.580 0.461 25716 2536 1 6 . 1 1 6 6 VAL H H 6 8.137 8.137 8.278 -0.141 25716 2537 1 6 . 1 1 7 7 LYS N N 7 118.688 118.688 118.878 -0.190 25716 2538 1 6 . 1 1 7 7 LYS HA H 7 3.776 3.776 3.967 -0.191 25716 2539 1 6 . 1 1 7 7 LYS C C 7 175.192 175.192 178.956 -3.764 25716 2540 1 6 . 1 1 7 7 LYS CA C 7 60.903 60.903 60.170 0.733 25716 2541 1 6 . 1 1 7 7 LYS CB C 7 32.251 32.251 32.200 0.050 25716 2542 1 6 . 1 1 7 7 LYS H H 7 8.099 8.099 8.180 -0.081 25716 2543 1 6 . 1 1 8 8 GLU N N 8 117.138 117.138 119.740 -2.602 25716 2544 1 6 . 1 1 8 8 GLU HA H 8 4.188 4.188 4.039 0.149 25716 2545 1 6 . 1 1 8 8 GLU C C 8 176.405 176.405 178.786 -2.381 25716 2546 1 6 . 1 1 8 8 GLU CA C 8 58.635 58.635 59.108 -0.473 25716 2547 1 6 . 1 1 8 8 GLU CB C 8 29.149 29.149 29.111 0.038 25716 2548 1 6 . 1 1 8 8 GLU H H 8 7.875 7.875 7.939 -0.064 25716 2549 1 6 . 1 1 9 9 LYS N N 9 119.639 119.639 119.699 -0.060 25716 2550 1 6 . 1 1 9 9 LYS HA H 9 4.072 4.072 4.181 -0.109 25716 2551 1 6 . 1 1 9 9 LYS C C 9 177.376 177.376 179.315 -1.939 25716 2552 1 6 . 1 1 9 9 LYS CA C 9 59.994 59.994 59.788 0.206 25716 2553 1 6 . 1 1 9 9 LYS CB C 9 32.471 32.471 32.687 -0.216 25716 2554 1 6 . 1 1 9 9 LYS H H 9 8.102 8.102 7.957 0.145 25716 2555 1 6 . 1 1 10 10 ILE N N 10 119.456 119.456 119.085 0.371 25716 2556 1 6 . 1 1 10 10 ILE HA H 10 3.713 3.713 3.807 -0.094 25716 2557 1 6 . 1 1 10 10 ILE C C 10 174.153 174.153 177.767 -3.614 25716 2558 1 6 . 1 1 10 10 ILE CA C 10 65.549 65.549 65.682 -0.133 25716 2559 1 6 . 1 1 10 10 ILE CB C 10 37.522 37.522 37.969 -0.447 25716 2560 1 6 . 1 1 10 10 ILE H H 10 8.210 8.210 8.235 -0.025 25716 2561 1 6 . 1 1 11 11 ARG N N 11 121.172 121.172 119.299 1.873 25716 2562 1 6 . 1 1 11 11 ARG HA H 11 3.608 3.608 4.016 -0.408 25716 2563 1 6 . 1 1 11 11 ARG C C 11 174.925 174.925 178.351 -3.426 25716 2564 1 6 . 1 1 11 11 ARG CA C 11 60.617 60.617 59.056 1.561 25716 2565 1 6 . 1 1 11 11 ARG CB C 11 30.480 30.480 29.317 1.163 25716 2566 1 6 . 1 1 11 11 ARG H H 11 8.851 8.851 8.441 0.410 25716 2567 1 6 . 1 1 12 12 ARG N N 12 116.578 116.578 119.877 -3.299 25716 2568 1 6 . 1 1 12 12 ARG HA H 12 3.935 3.935 4.177 -0.242 25716 2569 1 6 . 1 1 12 12 ARG C C 12 174.817 174.817 178.359 -3.542 25716 2570 1 6 . 1 1 12 12 ARG CA C 12 59.162 59.162 58.146 1.016 25716 2571 1 6 . 1 1 12 12 ARG CB C 12 29.476 29.476 29.615 -0.139 25716 2572 1 6 . 1 1 12 12 ARG H H 12 8.126 8.126 7.544 0.582 25716 2573 1 6 . 1 1 13 13 TYR N N 13 119.994 119.994 121.002 -1.008 25716 2574 1 6 . 1 1 13 13 TYR HA H 13 4.047 4.047 4.108 -0.061 25716 2575 1 6 . 1 1 13 13 TYR C C 13 175.273 175.273 177.755 -2.482 25716 2576 1 6 . 1 1 13 13 TYR CA C 13 61.856 61.856 61.155 0.701 25716 2577 1 6 . 1 1 13 13 TYR CB C 13 38.459 38.459 37.769 0.690 25716 2578 1 6 . 1 1 13 13 TYR H H 13 7.758 7.758 7.719 0.039 25716 2579 1 6 . 1 1 14 14 ILE N N 14 117.754 117.754 119.865 -2.111 25716 2580 1 6 . 1 1 14 14 ILE HA H 14 3.239 3.239 3.448 -0.209 25716 2581 1 6 . 1 1 14 14 ILE C C 14 175.425 175.425 177.381 -1.956 25716 2582 1 6 . 1 1 14 14 ILE CA C 14 65.826 65.826 65.515 0.311 25716 2583 1 6 . 1 1 14 14 ILE CB C 14 37.782 37.782 37.698 0.084 25716 2584 1 6 . 1 1 14 14 ILE H H 14 8.464 8.464 7.977 0.487 25716 2585 1 6 . 1 1 15 15 MET N N 15 116.173 116.173 116.967 -0.794 25716 2586 1 6 . 1 1 15 15 MET HA H 15 3.939 3.939 4.162 -0.223 25716 2587 1 6 . 1 1 15 15 MET C C 15 174.676 174.676 177.826 -3.150 25716 2588 1 6 . 1 1 15 15 MET CA C 15 59.276 59.276 58.947 0.329 25716 2589 1 6 . 1 1 15 15 MET CB C 15 32.885 32.885 32.317 0.568 25716 2590 1 6 . 1 1 15 15 MET H H 15 8.265 8.265 7.398 0.867 25716 2591 1 6 . 1 1 16 16 GLU N N 16 116.398 116.398 118.827 -2.429 25716 2592 1 6 . 1 1 16 16 GLU HA H 16 3.980 3.980 4.118 -0.138 25716 2593 1 6 . 1 1 16 16 GLU C C 16 175.158 175.158 178.170 -3.012 25716 2594 1 6 . 1 1 16 16 GLU CA C 16 58.767 58.767 58.604 0.163 25716 2595 1 6 . 1 1 16 16 GLU CB C 16 30.078 30.078 29.779 0.299 25716 2596 1 6 . 1 1 16 16 GLU H H 16 8.619 8.619 7.703 0.916 25716 2597 1 6 . 1 1 17 17 ASP N N 17 116.973 116.973 118.006 -1.033 25716 2598 1 6 . 1 1 17 17 ASP HA H 17 4.591 4.591 4.509 0.082 25716 2599 1 6 . 1 1 17 17 ASP C C 17 174.240 174.240 178.081 -3.841 25716 2600 1 6 . 1 1 17 17 ASP CA C 17 55.438 55.438 55.888 -0.450 25716 2601 1 6 . 1 1 17 17 ASP CB C 17 42.657 42.657 41.275 1.382 25716 2602 1 6 . 1 1 17 17 ASP H H 17 8.119 8.119 7.720 0.399 25716 2603 1 6 . 1 1 18 18 LEU N N 18 115.667 115.667 118.853 -3.186 25716 2604 1 6 . 1 1 18 18 LEU HA H 18 4.488 4.488 4.264 0.224 25716 2605 1 6 . 1 1 18 18 LEU C C 18 175.062 175.062 177.928 -2.866 25716 2606 1 6 . 1 1 18 18 LEU CA C 18 56.075 56.075 56.309 -0.234 25716 2607 1 6 . 1 1 18 18 LEU CB C 18 41.096 41.096 42.671 -1.575 25716 2608 1 6 . 1 1 18 18 LEU H H 18 7.162 7.162 7.119 0.043 25716 2609 1 6 . 1 1 19 19 ILE N N 19 120.763 120.763 117.374 3.389 25716 2610 1 6 . 1 1 19 19 ILE HA H 19 3.979 3.979 4.270 -0.291 25716 2611 1 6 . 1 1 19 19 ILE C C 19 174.557 174.557 175.380 -0.823 25716 2612 1 6 . 1 1 19 19 ILE CA C 19 63.809 63.809 61.086 2.723 25716 2613 1 6 . 1 1 19 19 ILE CB C 19 38.044 38.044 39.752 -1.708 25716 2614 1 6 . 1 1 19 19 ILE H H 19 8.017 8.017 7.849 0.168 25716 2615 1 6 . 1 1 20 20 GLY N N 20 108.619 108.619 109.324 -0.705 25716 2616 1 6 . 1 1 20 20 GLY CA C 20 44.560 44.560 45.076 -0.516 25716 2617 1 6 . 1 1 20 20 GLY H H 20 8.126 8.126 8.458 -0.332 25716 2618 1 6 . 1 1 21 21 PRO HA H 21 4.385 4.385 4.529 -0.144 25716 2619 1 6 . 1 1 21 21 PRO C C 21 174.855 174.855 177.125 -2.270 25716 2620 1 6 . 1 1 21 21 PRO CA C 21 64.406 64.406 63.876 0.530 25716 2621 1 6 . 1 1 21 21 PRO CB C 21 32.027 32.027 31.845 0.182 25716 2622 1 6 . 1 1 22 22 SER N N 22 114.165 114.165 113.203 0.962 25716 2623 1 6 . 1 1 22 22 SER HA H 22 4.394 4.394 4.285 0.109 25716 2624 1 6 . 1 1 22 22 SER C C 22 171.708 171.708 174.649 -2.941 25716 2625 1 6 . 1 1 22 22 SER CA C 22 58.871 58.871 59.201 -0.330 25716 2626 1 6 . 1 1 22 22 SER CB C 22 63.473 63.473 63.028 0.445 25716 2627 1 6 . 1 1 22 22 SER H H 22 8.279 8.279 8.077 0.202 25716 2628 1 6 . 1 1 23 23 ALA N N 23 125.151 125.151 124.359 0.792 25716 2629 1 6 . 1 1 23 23 ALA HA H 23 4.250 4.250 4.655 -0.405 25716 2630 1 6 . 1 1 23 23 ALA C C 23 174.903 174.903 176.202 -1.299 25716 2631 1 6 . 1 1 23 23 ALA CA C 23 52.851 52.851 50.901 1.950 25716 2632 1 6 . 1 1 23 23 ALA CB C 23 19.376 19.376 19.092 0.284 25716 2633 1 6 . 1 1 23 23 ALA H H 23 8.040 8.040 7.374 0.666 25716 2634 1 6 . 1 1 24 24 LYS N N 24 120.823 120.823 122.175 -1.352 25716 2635 1 6 . 1 1 24 24 LYS HA H 24 4.346 4.346 4.199 0.147 25716 2636 1 6 . 1 1 24 24 LYS C C 24 174.522 174.522 177.598 -3.076 25716 2637 1 6 . 1 1 24 24 LYS CA C 24 55.938 55.938 55.997 -0.059 25716 2638 1 6 . 1 1 24 24 LYS CB C 24 33.187 33.187 33.054 0.133 25716 2639 1 6 . 1 1 24 24 LYS H H 24 8.306 8.306 8.111 0.195 25716 2640 1 6 . 1 1 25 25 GLU N N 25 121.186 121.186 118.405 2.781 25716 2641 1 6 . 1 1 25 25 GLU HA H 25 4.114 4.114 4.011 0.103 25716 2642 1 6 . 1 1 25 25 GLU C C 25 173.808 173.808 176.876 -3.068 25716 2643 1 6 . 1 1 25 25 GLU CA C 25 58.023 58.023 58.816 -0.793 25716 2644 1 6 . 1 1 25 25 GLU CB C 25 29.769 29.769 29.853 -0.084 25716 2645 1 6 . 1 1 25 25 GLU H H 25 8.569 8.569 8.763 -0.194 25716 2646 1 6 . 1 1 26 26 ASP N N 26 117.111 117.111 116.656 0.455 25716 2647 1 6 . 1 1 26 26 ASP HA H 26 4.569 4.569 4.799 -0.230 25716 2648 1 6 . 1 1 26 26 ASP C C 26 173.265 173.265 174.830 -1.565 25716 2649 1 6 . 1 1 26 26 ASP CA C 26 54.061 54.061 53.340 0.721 25716 2650 1 6 . 1 1 26 26 ASP CB C 26 40.742 40.742 40.786 -0.044 25716 2651 1 6 . 1 1 26 26 ASP H H 26 8.139 8.139 8.079 0.060 25716 2652 1 6 . 1 1 27 27 GLU N N 27 118.932 118.932 119.421 -0.489 25716 2653 1 6 . 1 1 27 27 GLU HA H 27 4.239 4.239 4.755 -0.516 25716 2654 1 6 . 1 1 27 27 GLU C C 27 172.838 172.838 175.755 -2.917 25716 2655 1 6 . 1 1 27 27 GLU CA C 27 56.645 56.645 57.152 -0.507 25716 2656 1 6 . 1 1 27 27 GLU CB C 27 30.703 30.703 32.110 -1.407 25716 2657 1 6 . 1 1 27 27 GLU H H 27 7.859 7.859 7.913 -0.054 25716 2658 1 6 . 1 1 28 28 LEU N N 28 121.726 121.726 121.026 0.700 25716 2659 1 6 . 1 1 28 28 LEU HA H 28 4.570 4.570 4.317 0.253 25716 2660 1 6 . 1 1 28 28 LEU C C 28 172.438 172.438 176.112 -3.674 25716 2661 1 6 . 1 1 28 28 LEU CA C 28 54.503 54.503 54.902 -0.399 25716 2662 1 6 . 1 1 28 28 LEU CB C 28 43.342 43.342 42.064 1.278 25716 2663 1 6 . 1 1 28 28 LEU H H 28 7.671 7.671 7.996 -0.325 25716 2664 1 6 . 1 1 29 29 ASP N N 29 126.685 126.685 121.977 4.708 25716 2665 1 6 . 1 1 29 29 ASP HA H 29 4.822 4.822 4.773 0.049 25716 2666 1 6 . 1 1 29 29 ASP C C 29 173.732 173.732 176.626 -2.894 25716 2667 1 6 . 1 1 29 29 ASP CA C 29 52.855 52.855 53.375 -0.520 25716 2668 1 6 . 1 1 29 29 ASP CB C 29 43.124 43.124 45.297 -2.173 25716 2669 1 6 . 1 1 29 29 ASP H H 29 8.950 8.950 7.721 1.229 25716 2670 1 6 . 1 1 30 30 ASP N N 30 120.317 120.317 120.871 -0.554 25716 2671 1 6 . 1 1 30 30 ASP HA H 30 4.247 4.247 4.371 -0.124 25716 2672 1 6 . 1 1 30 30 ASP C C 30 172.143 172.143 177.070 -4.927 25716 2673 1 6 . 1 1 30 30 ASP CA C 30 57.352 57.352 57.609 -0.257 25716 2674 1 6 . 1 1 30 30 ASP CB C 30 40.160 40.160 40.920 -0.760 25716 2675 1 6 . 1 1 30 30 ASP H H 30 8.500 8.500 8.631 -0.131 25716 2676 1 6 . 1 1 31 31 GLN N N 31 111.109 111.109 115.306 -4.197 25716 2677 1 6 . 1 1 31 31 GLN HA H 31 4.590 4.590 4.648 -0.058 25716 2678 1 6 . 1 1 31 31 GLN C C 31 174.343 174.343 175.865 -1.522 25716 2679 1 6 . 1 1 31 31 GLN CA C 31 54.437 54.437 54.845 -0.408 25716 2680 1 6 . 1 1 31 31 GLN CB C 31 30.038 30.038 29.496 0.542 25716 2681 1 6 . 1 1 31 31 GLN H H 31 8.234 8.234 8.153 0.081 25716 2682 1 6 . 1 1 32 32 THR N N 32 123.333 123.333 119.486 3.847 25716 2683 1 6 . 1 1 32 32 THR HA H 32 3.856 3.856 4.196 -0.340 25716 2684 1 6 . 1 1 32 32 THR CA C 32 62.805 62.805 62.061 0.744 25716 2685 1 6 . 1 1 32 32 THR CB C 32 69.907 69.907 68.859 1.048 25716 2686 1 6 . 1 1 32 32 THR H H 32 7.663 7.663 7.228 0.435 25716 2687 1 6 . 1 1 33 33 PRO HA H 33 4.823 4.823 4.550 0.273 25716 2688 1 6 . 1 1 33 33 PRO C C 33 172.190 172.190 176.938 -4.748 25716 2689 1 6 . 1 1 33 33 PRO CA C 33 61.670 61.670 62.916 -1.246 25716 2690 1 6 . 1 1 33 33 PRO CB C 33 29.880 29.880 31.217 -1.337 25716 2691 1 6 . 1 1 34 34 LEU N N 34 126.562 126.562 123.891 2.671 25716 2692 1 6 . 1 1 34 34 LEU HA H 34 3.820 3.820 3.667 0.153 25716 2693 1 6 . 1 1 34 34 LEU C C 34 176.590 176.590 178.606 -2.016 25716 2694 1 6 . 1 1 34 34 LEU CA C 34 57.808 57.808 58.062 -0.255 25716 2695 1 6 . 1 1 34 34 LEU CB C 34 42.569 42.569 41.477 1.092 25716 2696 1 6 . 1 1 34 34 LEU H H 34 7.988 7.988 7.968 0.020 25716 2697 1 6 . 1 1 35 35 LEU N N 35 117.687 117.687 118.350 -0.663 25716 2698 1 6 . 1 1 35 35 LEU HA H 35 4.539 4.539 4.152 0.387 25716 2699 1 6 . 1 1 35 35 LEU C C 35 178.411 178.411 178.710 -0.299 25716 2700 1 6 . 1 1 35 35 LEU CA C 35 56.531 56.531 57.295 -0.764 25716 2701 1 6 . 1 1 35 35 LEU CB C 35 41.338 41.338 41.918 -0.580 25716 2702 1 6 . 1 1 35 35 LEU H H 35 8.184 8.184 7.528 0.656 25716 2703 1 6 . 1 1 36 36 GLU N N 36 121.488 121.488 119.929 1.559 25716 2704 1 6 . 1 1 36 36 GLU HA H 36 4.118 4.118 4.123 -0.005 25716 2705 1 6 . 1 1 36 36 GLU C C 36 175.984 175.984 178.844 -2.860 25716 2706 1 6 . 1 1 36 36 GLU CA C 36 59.264 59.264 59.043 0.221 25716 2707 1 6 . 1 1 36 36 GLU CB C 36 29.608 29.608 29.385 0.223 25716 2708 1 6 . 1 1 36 36 GLU H H 36 7.857 7.857 8.374 -0.517 25716 2709 1 6 . 1 1 37 37 TRP N N 37 115.319 115.319 118.611 -3.292 25716 2710 1 6 . 1 1 37 37 TRP HA H 37 4.950 4.950 4.518 0.432 25716 2711 1 6 . 1 1 37 37 TRP C C 37 174.270 174.270 177.718 -3.448 25716 2712 1 6 . 1 1 37 37 TRP CA C 37 56.075 56.075 57.504 -1.429 25716 2713 1 6 . 1 1 37 37 TRP CB C 37 29.050 29.050 29.558 -0.508 25716 2714 1 6 . 1 1 37 37 TRP H H 37 8.180 8.180 7.986 0.194 25716 2715 1 6 . 1 1 38 38 GLY N N 38 106.793 106.793 107.076 -0.283 25716 2716 1 6 . 1 1 38 38 GLY C C 38 171.784 171.784 175.429 -3.645 25716 2717 1 6 . 1 1 38 38 GLY CA C 38 46.275 46.275 45.664 0.611 25716 2718 1 6 . 1 1 38 38 GLY H H 38 7.704 7.704 7.723 -0.019 25716 2719 1 6 . 1 1 39 39 ILE N N 39 120.597 120.597 113.367 7.230 25716 2720 1 6 . 1 1 39 39 ILE HA H 39 3.753 3.753 4.240 -0.487 25716 2721 1 6 . 1 1 39 39 ILE C C 39 174.148 174.148 175.089 -0.941 25716 2722 1 6 . 1 1 39 39 ILE CA C 39 63.934 63.934 61.806 2.128 25716 2723 1 6 . 1 1 39 39 ILE CB C 39 38.673 38.673 38.634 0.039 25716 2724 1 6 . 1 1 39 39 ILE H H 39 7.697 7.697 7.544 0.153 25716 2725 1 6 . 1 1 40 40 LEU N N 40 115.102 115.102 121.989 -6.887 25716 2726 1 6 . 1 1 40 40 LEU HA H 40 4.934 4.934 4.730 0.204 25716 2727 1 6 . 1 1 40 40 LEU C C 40 172.286 172.286 175.390 -3.104 25716 2728 1 6 . 1 1 40 40 LEU CA C 40 52.249 52.249 53.873 -1.624 25716 2729 1 6 . 1 1 40 40 LEU CB C 40 43.454 43.454 41.326 2.128 25716 2730 1 6 . 1 1 40 40 LEU H H 40 7.307 7.307 7.671 -0.364 25716 2731 1 6 . 1 1 41 41 ASN N N 41 117.306 117.306 121.684 -4.378 25716 2732 1 6 . 1 1 41 41 ASN HA H 41 4.589 4.589 4.846 -0.257 25716 2733 1 6 . 1 1 41 41 ASN C C 41 171.807 171.807 175.153 -3.346 25716 2734 1 6 . 1 1 41 41 ASN CA C 41 52.017 52.017 52.392 -0.375 25716 2735 1 6 . 1 1 41 41 ASN CB C 41 39.872 39.872 41.613 -1.741 25716 2736 1 6 . 1 1 41 41 ASN H H 41 8.466 8.466 8.316 0.150 25716 2737 1 6 . 1 1 42 42 SER N N 42 113.236 113.236 115.901 -2.665 25716 2738 1 6 . 1 1 42 42 SER HA H 42 4.116 4.116 4.199 -0.083 25716 2739 1 6 . 1 1 42 42 SER C C 42 171.631 171.631 176.354 -4.723 25716 2740 1 6 . 1 1 42 42 SER CA C 42 60.951 60.951 61.748 -0.798 25716 2741 1 6 . 1 1 42 42 SER CB C 42 65.868 65.868 62.965 2.903 25716 2742 1 6 . 1 1 42 42 SER H H 42 9.138 9.138 8.586 0.552 25716 2743 1 6 . 1 1 43 43 MET N N 43 118.797 118.797 116.592 2.205 25716 2744 1 6 . 1 1 43 43 MET HA H 43 4.467 4.467 4.450 0.017 25716 2745 1 6 . 1 1 43 43 MET CA C 43 57.429 57.429 57.304 0.125 25716 2746 1 6 . 1 1 43 43 MET CB C 43 32.494 32.494 31.887 0.607 25716 2747 1 6 . 1 1 43 43 MET H H 43 8.292 8.292 8.343 -0.051 25716 2748 1 6 . 1 1 44 44 ASN N N 44 117.701 117.701 118.339 -0.638 25716 2749 1 6 . 1 1 44 44 ASN HA H 44 4.686 4.686 4.682 0.004 25716 2750 1 6 . 1 1 44 44 ASN C C 44 175.889 175.889 177.156 -1.267 25716 2751 1 6 . 1 1 44 44 ASN CA C 44 53.826 53.826 54.883 -1.057 25716 2752 1 6 . 1 1 44 44 ASN CB C 44 38.484 38.484 38.254 0.230 25716 2753 1 6 . 1 1 44 44 ASN H H 44 8.299 8.299 7.783 0.516 25716 2754 1 6 . 1 1 45 45 ILE N N 45 122.124 122.124 120.604 1.520 25716 2755 1 6 . 1 1 45 45 ILE HA H 45 3.783 3.783 3.964 -0.181 25716 2756 1 6 . 1 1 45 45 ILE C C 45 174.370 174.370 176.912 -2.542 25716 2757 1 6 . 1 1 45 45 ILE CA C 45 64.892 64.892 64.094 0.798 25716 2758 1 6 . 1 1 45 45 ILE CB C 45 37.778 37.778 37.956 -0.178 25716 2759 1 6 . 1 1 45 45 ILE H H 45 8.417 8.417 8.104 0.313 25716 2760 1 6 . 1 1 46 46 VAL N N 46 120.176 120.176 117.918 2.258 25716 2761 1 6 . 1 1 46 46 VAL HA H 46 3.714 3.714 3.799 -0.085 25716 2762 1 6 . 1 1 46 46 VAL C C 46 175.129 175.129 177.217 -2.088 25716 2763 1 6 . 1 1 46 46 VAL CA C 46 66.227 66.227 66.177 0.050 25716 2764 1 6 . 1 1 46 46 VAL CB C 46 31.294 31.294 30.864 0.430 25716 2765 1 6 . 1 1 46 46 VAL H H 46 7.394 7.394 7.758 -0.364 25716 2766 1 6 . 1 1 47 47 LYS N N 47 118.640 118.640 119.751 -1.111 25716 2767 1 6 . 1 1 47 47 LYS HA H 47 4.005 4.005 4.203 -0.198 25716 2768 1 6 . 1 1 47 47 LYS CA C 47 60.033 60.033 59.509 0.524 25716 2769 1 6 . 1 1 47 47 LYS CB C 47 32.093 32.093 32.069 0.024 25716 2770 1 6 . 1 1 47 47 LYS H H 47 7.221 7.221 7.366 -0.145 25716 2771 1 6 . 1 1 48 48 LEU N N 48 119.812 119.812 121.011 -1.199 25716 2772 1 6 . 1 1 48 48 LEU HA H 48 4.261 4.261 4.120 0.141 25716 2773 1 6 . 1 1 48 48 LEU C C 48 175.105 175.105 178.776 -3.671 25716 2774 1 6 . 1 1 48 48 LEU CA C 48 57.717 57.717 58.127 -0.410 25716 2775 1 6 . 1 1 48 48 LEU CB C 48 41.683 41.683 41.969 -0.286 25716 2776 1 6 . 1 1 48 48 LEU H H 48 7.812 7.812 7.799 0.013 25716 2777 1 6 . 1 1 49 49 MET N N 49 118.031 118.031 117.671 0.360 25716 2778 1 6 . 1 1 49 49 MET HA H 49 3.919 3.919 4.192 -0.273 25716 2779 1 6 . 1 1 49 49 MET C C 49 176.673 176.673 178.782 -2.109 25716 2780 1 6 . 1 1 49 49 MET CA C 49 60.304 60.304 59.587 0.717 25716 2781 1 6 . 1 1 49 49 MET CB C 49 33.071 33.071 32.717 0.354 25716 2782 1 6 . 1 1 49 49 MET H H 49 8.583 8.583 8.145 0.438 25716 2783 1 6 . 1 1 50 50 VAL N N 50 122.370 122.370 116.966 5.404 25716 2784 1 6 . 1 1 50 50 VAL HA H 50 3.497 3.497 3.783 -0.285 25716 2785 1 6 . 1 1 50 50 VAL C C 50 173.639 173.639 177.177 -3.538 25716 2786 1 6 . 1 1 50 50 VAL CA C 50 67.182 67.182 65.573 1.609 25716 2787 1 6 . 1 1 50 50 VAL CB C 50 31.551 31.551 30.791 0.760 25716 2788 1 6 . 1 1 50 50 VAL H H 50 8.246 8.246 7.954 0.292 25716 2789 1 6 . 1 1 51 51 TYR N N 51 121.444 121.444 121.958 -0.514 25716 2790 1 6 . 1 1 51 51 TYR HA H 51 4.110 4.110 3.934 0.176 25716 2791 1 6 . 1 1 51 51 TYR C C 51 174.688 174.688 177.257 -2.569 25716 2792 1 6 . 1 1 51 51 TYR CA C 51 61.795 61.795 61.988 -0.193 25716 2793 1 6 . 1 1 51 51 TYR CB C 51 38.036 38.036 38.417 -0.381 25716 2794 1 6 . 1 1 51 51 TYR H H 51 7.774 7.774 7.462 0.312 25716 2795 1 6 . 1 1 52 52 ILE N N 52 118.347 118.347 119.319 -0.972 25716 2796 1 6 . 1 1 52 52 ILE HA H 52 3.283 3.283 3.654 -0.371 25716 2797 1 6 . 1 1 52 52 ILE C C 52 175.421 175.421 178.029 -2.608 25716 2798 1 6 . 1 1 52 52 ILE CA C 52 65.477 65.477 64.671 0.806 25716 2799 1 6 . 1 1 52 52 ILE CB C 52 38.703 38.703 38.054 0.648 25716 2800 1 6 . 1 1 52 52 ILE H H 52 8.388 8.388 8.407 -0.019 25716 2801 1 6 . 1 1 53 53 ARG N N 53 121.323 121.323 118.736 2.587 25716 2802 1 6 . 1 1 53 53 ARG HA H 53 3.920 3.920 4.087 -0.167 25716 2803 1 6 . 1 1 53 53 ARG C C 53 176.463 176.463 177.874 -1.411 25716 2804 1 6 . 1 1 53 53 ARG CA C 53 59.458 59.458 58.944 0.514 25716 2805 1 6 . 1 1 53 53 ARG CB C 53 30.296 30.296 29.143 1.153 25716 2806 1 6 . 1 1 53 53 ARG H H 53 7.831 7.831 8.111 -0.280 25716 2807 1 6 . 1 1 54 54 ASP N N 54 119.945 119.945 118.352 1.593 25716 2808 1 6 . 1 1 54 54 ASP HA H 54 4.319 4.319 4.439 -0.120 25716 2809 1 6 . 1 1 54 54 ASP C C 54 175.314 175.314 177.661 -2.347 25716 2810 1 6 . 1 1 54 54 ASP CA C 54 57.126 57.126 56.495 0.631 25716 2811 1 6 . 1 1 54 54 ASP CB C 54 40.074 40.074 40.933 -0.859 25716 2812 1 6 . 1 1 54 54 ASP H H 54 8.760 8.760 7.421 1.339 25716 2813 1 6 . 1 1 55 55 GLU N N 55 117.530 117.530 118.522 -0.992 25716 2814 1 6 . 1 1 55 55 GLU HA H 55 4.239 4.239 4.080 0.159 25716 2815 1 6 . 1 1 55 55 GLU C C 55 175.224 175.224 178.218 -2.994 25716 2816 1 6 . 1 1 55 55 GLU CA C 55 56.852 56.852 58.216 -1.364 25716 2817 1 6 . 1 1 55 55 GLU CB C 55 29.329 29.329 29.860 -0.531 25716 2818 1 6 . 1 1 55 55 GLU H H 55 8.701 8.701 8.042 0.659 25716 2819 1 6 . 1 1 56 56 MET N N 56 113.874 113.874 115.127 -1.253 25716 2820 1 6 . 1 1 56 56 MET HA H 56 4.566 4.566 4.418 0.148 25716 2821 1 6 . 1 1 56 56 MET C C 56 173.968 173.968 176.965 -2.997 25716 2822 1 6 . 1 1 56 56 MET CA C 56 55.539 55.539 55.430 0.109 25716 2823 1 6 . 1 1 56 56 MET CB C 56 34.094 34.094 33.657 0.437 25716 2824 1 6 . 1 1 56 56 MET H H 56 7.464 7.464 7.702 -0.238 25716 2825 1 6 . 1 1 57 57 GLY N N 57 107.900 107.900 105.937 1.963 25716 2826 1 6 . 1 1 57 57 GLY C C 57 171.496 171.496 174.004 -2.508 25716 2827 1 6 . 1 1 57 57 GLY CA C 57 46.561 46.561 44.950 1.611 25716 2828 1 6 . 1 1 57 57 GLY H H 57 7.291 7.291 7.888 -0.597 25716 2829 1 6 . 1 1 58 58 VAL N N 58 117.126 117.126 120.835 -3.709 25716 2830 1 6 . 1 1 58 58 VAL HA H 58 4.283 4.283 4.310 -0.027 25716 2831 1 6 . 1 1 58 58 VAL C C 58 171.116 171.116 175.081 -3.965 25716 2832 1 6 . 1 1 58 58 VAL CA C 58 60.487 60.487 60.526 -0.039 25716 2833 1 6 . 1 1 58 58 VAL CB C 58 34.837 34.837 32.524 2.313 25716 2834 1 6 . 1 1 58 58 VAL H H 58 6.970 6.970 7.536 -0.566 25716 2835 1 6 . 1 1 59 59 SER N N 59 122.188 122.188 122.464 -0.276 25716 2836 1 6 . 1 1 59 59 SER HA H 59 4.432 4.432 4.452 -0.020 25716 2837 1 6 . 1 1 59 59 SER C C 59 170.766 170.766 174.414 -3.648 25716 2838 1 6 . 1 1 59 59 SER CA C 59 56.563 56.563 57.806 -1.242 25716 2839 1 6 . 1 1 59 59 SER CB C 59 63.106 63.106 62.694 0.412 25716 2840 1 6 . 1 1 59 59 SER H H 59 8.609 8.609 8.537 0.072 25716 2841 1 6 . 1 1 60 60 ILE N N 60 128.230 128.230 127.537 0.693 25716 2842 1 6 . 1 1 60 60 ILE HA H 60 4.033 4.033 4.166 -0.133 25716 2843 1 6 . 1 1 60 60 ILE CA C 60 58.127 58.127 58.996 -0.869 25716 2844 1 6 . 1 1 60 60 ILE CB C 60 38.217 38.217 37.673 0.544 25716 2845 1 6 . 1 1 60 60 ILE H H 60 8.257 8.257 7.801 0.456 25716 2846 1 6 . 1 1 61 61 PRO HA H 61 4.501 4.501 4.651 -0.150 25716 2847 1 6 . 1 1 61 61 PRO CA C 61 62.352 62.352 61.995 0.357 25716 2848 1 6 . 1 1 61 61 PRO CB C 61 32.469 32.469 32.595 -0.126 25716 2849 1 6 . 1 1 62 62 SER HA H 62 4.058 4.058 4.180 -0.122 25716 2850 1 6 . 1 1 62 62 SER C C 62 173.269 173.269 176.677 -3.408 25716 2851 1 6 . 1 1 62 62 SER CA C 62 61.511 61.511 61.577 -0.066 25716 2852 1 6 . 1 1 62 62 SER CB C 62 62.646 62.646 62.834 -0.188 25716 2853 1 6 . 1 1 63 63 THR N N 63 110.178 110.178 115.491 -5.313 25716 2854 1 6 . 1 1 63 63 THR HA H 63 4.066 4.066 4.182 -0.116 25716 2855 1 6 . 1 1 63 63 THR C C 63 172.917 172.917 175.541 -2.624 25716 2856 1 6 . 1 1 63 63 THR CA C 63 63.007 63.007 64.040 -1.033 25716 2857 1 6 . 1 1 63 63 THR CB C 63 69.323 69.323 68.662 0.661 25716 2858 1 6 . 1 1 63 63 THR H H 63 7.307 7.307 8.276 -0.969 25716 2859 1 6 . 1 1 64 64 HIS N N 64 121.862 121.862 119.345 2.517 25716 2860 1 6 . 1 1 64 64 HIS HA H 64 4.495 4.495 4.647 -0.152 25716 2861 1 6 . 1 1 64 64 HIS C C 64 171.495 171.495 175.268 -3.773 25716 2862 1 6 . 1 1 64 64 HIS CA C 64 56.203 56.203 57.376 -1.173 25716 2863 1 6 . 1 1 64 64 HIS CB C 64 29.814 29.814 30.793 -0.979 25716 2864 1 6 . 1 1 64 64 HIS H H 64 8.132 8.132 7.620 0.512 25716 2865 1 6 . 1 1 65 65 ILE N N 65 118.536 118.536 122.415 -3.879 25716 2866 1 6 . 1 1 65 65 ILE HA H 65 4.165 4.165 4.027 0.138 25716 2867 1 6 . 1 1 65 65 ILE C C 65 172.049 172.049 175.468 -3.419 25716 2868 1 6 . 1 1 65 65 ILE CA C 65 60.576 60.576 60.971 -0.395 25716 2869 1 6 . 1 1 65 65 ILE CB C 65 35.561 35.561 35.096 0.465 25716 2870 1 6 . 1 1 65 65 ILE H H 65 7.223 7.223 7.502 -0.279 25716 2871 1 6 . 1 1 66 66 THR N N 66 114.529 114.529 121.479 -6.950 25716 2872 1 6 . 1 1 66 66 THR HA H 66 4.635 4.635 4.596 0.039 25716 2873 1 6 . 1 1 66 66 THR C C 66 172.176 172.176 175.251 -3.075 25716 2874 1 6 . 1 1 66 66 THR CA C 66 59.827 59.827 60.692 -0.865 25716 2875 1 6 . 1 1 66 66 THR CB C 66 70.679 70.679 72.315 -1.636 25716 2876 1 6 . 1 1 66 66 THR H H 66 7.943 7.943 8.007 -0.064 25716 2877 1 6 . 1 1 67 67 GLY N N 67 109.454 109.454 110.973 -1.519 25716 2878 1 6 . 1 1 67 67 GLY C C 67 172.080 172.080 175.025 -2.945 25716 2879 1 6 . 1 1 67 67 GLY CA C 67 47.245 47.245 46.395 0.850 25716 2880 1 6 . 1 1 67 67 GLY H H 67 8.736 8.736 8.730 0.006 25716 2881 1 6 . 1 1 68 68 LYS N N 68 118.551 118.551 120.894 -2.343 25716 2882 1 6 . 1 1 68 68 LYS HA H 68 3.851 3.851 3.813 0.038 25716 2883 1 6 . 1 1 68 68 LYS C C 68 174.455 174.455 177.825 -3.370 25716 2884 1 6 . 1 1 68 68 LYS CA C 68 58.697 58.697 58.773 -0.076 25716 2885 1 6 . 1 1 68 68 LYS CB C 68 32.350 32.350 32.120 0.230 25716 2886 1 6 . 1 1 68 68 LYS H H 68 7.968 7.968 7.366 0.602 25716 2887 1 6 . 1 1 69 69 TYR N N 69 115.203 115.203 112.937 2.266 25716 2888 1 6 . 1 1 69 69 TYR HA H 69 4.213 4.213 4.312 -0.099 25716 2889 1 6 . 1 1 69 69 TYR C C 69 171.772 171.772 176.438 -4.666 25716 2890 1 6 . 1 1 69 69 TYR CA C 69 59.212 59.212 58.690 0.522 25716 2891 1 6 . 1 1 69 69 TYR CB C 69 38.555 38.555 38.954 -0.399 25716 2892 1 6 . 1 1 69 69 TYR H H 69 6.826 6.826 7.350 -0.524 25716 2893 1 6 . 1 1 70 70 PHE N N 70 112.140 112.140 115.237 -3.097 25716 2894 1 6 . 1 1 70 70 PHE HA H 70 4.629 4.629 4.816 -0.187 25716 2895 1 6 . 1 1 70 70 PHE C C 70 171.998 171.998 175.429 -3.431 25716 2896 1 6 . 1 1 70 70 PHE CA C 70 57.245 57.245 57.385 -0.140 25716 2897 1 6 . 1 1 70 70 PHE CB C 70 40.329 40.329 38.698 1.631 25716 2898 1 6 . 1 1 70 70 PHE H H 70 7.327 7.327 7.769 -0.442 25716 2899 1 6 . 1 1 71 71 LYS N N 71 113.603 113.603 119.092 -5.489 25716 2900 1 6 . 1 1 71 71 LYS HA H 71 3.875 3.875 4.181 -0.306 25716 2901 1 6 . 1 1 71 71 LYS C C 71 172.963 172.963 175.607 -2.644 25716 2902 1 6 . 1 1 71 71 LYS CA C 71 59.667 59.667 58.025 1.643 25716 2903 1 6 . 1 1 71 71 LYS CB C 71 33.074 33.074 32.859 0.215 25716 2904 1 6 . 1 1 71 71 LYS H H 71 6.925 6.925 7.762 -0.837 25716 2905 1 6 . 1 1 72 72 ASP N N 72 110.434 110.434 116.009 -5.575 25716 2906 1 6 . 1 1 72 72 ASP HA H 72 4.441 4.441 4.916 -0.475 25716 2907 1 6 . 1 1 72 72 ASP C C 72 172.750 172.750 175.214 -2.464 25716 2908 1 6 . 1 1 72 72 ASP CA C 72 52.378 52.378 52.344 0.034 25716 2909 1 6 . 1 1 72 72 ASP CB C 72 42.426 42.426 44.124 -1.698 25716 2910 1 6 . 1 1 72 72 ASP H H 72 7.363 7.363 7.459 -0.096 25716 2911 1 6 . 1 1 73 73 LEU N N 73 120.273 120.273 119.461 0.812 25716 2912 1 6 . 1 1 73 73 LEU HA H 73 3.920 3.920 4.143 -0.223 25716 2913 1 6 . 1 1 73 73 LEU C C 73 176.648 176.648 177.954 -1.306 25716 2914 1 6 . 1 1 73 73 LEU CA C 73 58.120 58.120 56.643 1.477 25716 2915 1 6 . 1 1 73 73 LEU CB C 73 42.574 42.574 42.491 0.083 25716 2916 1 6 . 1 1 73 73 LEU H H 73 9.983 9.983 8.197 1.786 25716 2917 1 6 . 1 1 74 74 ASN N N 74 119.506 119.506 118.555 0.951 25716 2918 1 6 . 1 1 74 74 ASN HA H 74 4.405 4.405 4.301 0.104 25716 2919 1 6 . 1 1 74 74 ASN C C 74 174.659 174.659 177.101 -2.442 25716 2920 1 6 . 1 1 74 74 ASN CA C 74 56.287 56.287 56.707 -0.420 25716 2921 1 6 . 1 1 74 74 ASN CB C 74 37.579 37.579 37.804 -0.225 25716 2922 1 6 . 1 1 74 74 ASN H H 74 7.893 7.893 8.324 -0.431 25716 2923 1 6 . 1 1 75 75 ALA N N 75 125.068 125.068 123.128 1.940 25716 2924 1 6 . 1 1 75 75 ALA HA H 75 4.097 4.097 4.122 -0.025 25716 2925 1 6 . 1 1 75 75 ALA C C 75 177.809 177.809 179.932 -2.123 25716 2926 1 6 . 1 1 75 75 ALA CA C 75 55.365 55.365 54.750 0.615 25716 2927 1 6 . 1 1 75 75 ALA CB C 75 18.572 18.572 18.121 0.451 25716 2928 1 6 . 1 1 75 75 ALA H H 75 8.951 8.951 8.464 0.487 25716 2929 1 6 . 1 1 76 76 ILE N N 76 119.561 119.561 118.326 1.235 25716 2930 1 6 . 1 1 76 76 ILE HA H 76 3.615 3.615 3.544 0.071 25716 2931 1 6 . 1 1 76 76 ILE C C 76 175.344 175.344 178.178 -2.834 25716 2932 1 6 . 1 1 76 76 ILE CA C 76 65.272 65.272 64.956 0.316 25716 2933 1 6 . 1 1 76 76 ILE CB C 76 39.056 39.056 37.832 1.224 25716 2934 1 6 . 1 1 76 76 ILE H H 76 8.386 8.386 7.853 0.533 25716 2935 1 6 . 1 1 77 77 SER N N 77 114.090 114.090 114.997 -0.907 25716 2936 1 6 . 1 1 77 77 SER HA H 77 3.878 3.878 4.167 -0.289 25716 2937 1 6 . 1 1 77 77 SER C C 77 173.592 173.592 176.716 -3.124 25716 2938 1 6 . 1 1 77 77 SER CA C 77 62.733 62.733 61.817 0.916 25716 2939 1 6 . 1 1 77 77 SER CB C 77 62.864 62.864 63.143 -0.279 25716 2940 1 6 . 1 1 77 77 SER H H 77 8.250 8.250 7.941 0.309 25716 2941 1 6 . 1 1 78 78 ARG N N 78 121.670 121.670 119.116 2.554 25716 2942 1 6 . 1 1 78 78 ARG HA H 78 4.129 4.129 4.176 -0.047 25716 2943 1 6 . 1 1 78 78 ARG C C 78 176.111 176.111 178.622 -2.511 25716 2944 1 6 . 1 1 78 78 ARG CA C 78 59.328 59.328 59.075 0.253 25716 2945 1 6 . 1 1 78 78 ARG CB C 78 29.814 29.814 29.474 0.340 25716 2946 1 6 . 1 1 78 78 ARG H H 78 8.086 8.086 8.253 -0.167 25716 2947 1 6 . 1 1 79 79 THR N N 79 118.928 118.928 114.273 4.655 25716 2948 1 6 . 1 1 79 79 THR HA H 79 4.525 4.525 4.172 0.353 25716 2949 1 6 . 1 1 79 79 THR C C 79 173.364 173.364 176.411 -3.047 25716 2950 1 6 . 1 1 79 79 THR CA C 79 68.289 68.289 64.882 3.407 25716 2951 1 6 . 1 1 79 79 THR CB C 79 67.268 67.268 68.794 -1.526 25716 2952 1 6 . 1 1 79 79 THR H H 79 8.351 8.351 7.416 0.935 25716 2953 1 6 . 1 1 80 80 VAL N N 80 120.643 120.643 122.375 -1.732 25716 2954 1 6 . 1 1 80 80 VAL HA H 80 3.339 3.339 3.520 -0.181 25716 2955 1 6 . 1 1 80 80 VAL C C 80 174.438 174.438 177.700 -3.262 25716 2956 1 6 . 1 1 80 80 VAL CA C 80 67.603 67.603 66.606 0.997 25716 2957 1 6 . 1 1 80 80 VAL CB C 80 31.532 31.532 31.351 0.181 25716 2958 1 6 . 1 1 80 80 VAL H H 80 8.242 8.242 7.827 0.415 25716 2959 1 6 . 1 1 81 81 GLU N N 81 118.067 118.067 116.921 1.146 25716 2960 1 6 . 1 1 81 81 GLU HA H 81 3.943 3.943 3.942 0.001 25716 2961 1 6 . 1 1 81 81 GLU C C 81 176.961 176.961 178.991 -2.030 25716 2962 1 6 . 1 1 81 81 GLU CA C 81 59.974 59.974 59.069 0.905 25716 2963 1 6 . 1 1 81 81 GLU CB C 81 29.817 29.817 29.133 0.684 25716 2964 1 6 . 1 1 81 81 GLU H H 81 8.296 8.296 7.986 0.310 25716 2965 1 6 . 1 1 82 82 GLN N N 82 119.947 119.947 120.347 -0.400 25716 2966 1 6 . 1 1 82 82 GLN HA H 82 4.110 4.110 4.121 -0.011 25716 2967 1 6 . 1 1 82 82 GLN C C 82 176.023 176.023 177.921 -1.898 25716 2968 1 6 . 1 1 82 82 GLN CA C 82 58.991 58.991 58.363 0.628 25716 2969 1 6 . 1 1 82 82 GLN CB C 82 28.136 28.136 28.219 -0.083 25716 2970 1 6 . 1 1 82 82 GLN H H 82 8.444 8.444 7.478 0.966 25716 2971 1 6 . 1 1 83 83 LEU N N 83 119.916 119.916 120.427 -0.511 25716 2972 1 6 . 1 1 83 83 LEU HA H 83 4.075 4.075 3.970 0.105 25716 2973 1 6 . 1 1 83 83 LEU C C 83 177.753 177.753 178.667 -0.914 25716 2974 1 6 . 1 1 83 83 LEU CA C 83 57.453 57.453 57.222 0.230 25716 2975 1 6 . 1 1 83 83 LEU CB C 83 41.673 41.673 41.642 0.031 25716 2976 1 6 . 1 1 83 83 LEU H H 83 8.149 8.149 8.059 0.090 25716 2977 1 6 . 1 1 84 84 LYS N N 84 121.059 121.059 120.027 1.032 25716 2978 1 6 . 1 1 84 84 LYS HA H 84 3.951 3.951 3.887 0.064 25716 2979 1 6 . 1 1 84 84 LYS C C 84 176.055 176.055 178.435 -2.380 25716 2980 1 6 . 1 1 84 84 LYS CA C 84 59.328 59.328 59.652 -0.324 25716 2981 1 6 . 1 1 84 84 LYS CB C 84 32.291 32.291 32.219 0.072 25716 2982 1 6 . 1 1 84 84 LYS H H 84 8.373 8.373 7.923 0.450 25716 2983 1 6 . 1 1 85 85 ALA N N 85 122.134 122.134 121.395 0.739 25716 2984 1 6 . 1 1 85 85 ALA HA H 85 4.188 4.188 4.042 0.146 25716 2985 1 6 . 1 1 85 85 ALA C C 85 177.240 177.240 180.108 -2.868 25716 2986 1 6 . 1 1 85 85 ALA CA C 85 54.423 54.423 55.161 -0.738 25716 2987 1 6 . 1 1 85 85 ALA CB C 85 18.193 18.193 18.025 0.168 25716 2988 1 6 . 1 1 85 85 ALA H H 85 7.854 7.854 7.550 0.304 25716 2989 1 6 . 1 1 86 86 GLU N N 86 117.813 117.813 117.706 0.107 25716 2990 1 6 . 1 1 86 86 GLU HA H 86 4.115 4.115 4.056 0.059 25716 2991 1 6 . 1 1 86 86 GLU C C 86 175.547 175.547 178.837 -3.290 25716 2992 1 6 . 1 1 86 86 GLU CA C 86 58.199 58.199 58.810 -0.611 25716 2993 1 6 . 1 1 86 86 GLU CB C 86 29.841 29.841 29.297 0.544 25716 2994 1 6 . 1 1 86 86 GLU H H 86 8.059 8.059 8.027 0.032 25716 2995 1 6 . 1 1 87 87 SER N N 87 114.771 114.771 112.999 1.772 25716 2996 1 6 . 1 1 87 87 SER HA H 87 4.362 4.362 4.572 -0.210 25716 2997 1 6 . 1 1 87 87 SER C C 87 172.405 172.405 175.772 -3.367 25716 2998 1 6 . 1 1 87 87 SER CA C 87 59.806 59.806 59.569 0.237 25716 2999 1 6 . 1 1 87 87 SER CB C 87 63.528 63.528 63.263 0.265 25716 3000 1 6 . 1 1 87 87 SER H H 87 7.908 7.908 7.819 0.089 25716 3001 1 6 . 1 1 88 88 ALA N N 88 124.277 124.277 123.121 1.156 25716 3002 1 6 . 1 1 88 88 ALA HA H 88 4.284 4.284 4.225 0.059 25716 3003 1 6 . 1 1 88 88 ALA C C 88 175.489 175.489 178.506 -3.017 25716 3004 1 6 . 1 1 88 88 ALA CA C 88 53.087 53.087 54.176 -1.089 25716 3005 1 6 . 1 1 88 88 ALA CB C 88 18.792 18.792 19.181 -0.389 25716 3006 1 6 . 1 1 88 88 ALA H H 88 7.812 7.812 7.803 0.009 25716 3007 1 6 . 1 1 89 89 LEU N N 89 119.411 119.411 119.493 -0.082 25716 3008 1 6 . 1 1 89 89 LEU HA H 89 4.219 4.219 4.324 -0.105 25716 3009 1 6 . 1 1 89 89 LEU C C 89 175.025 175.025 177.758 -2.733 25716 3010 1 6 . 1 1 89 89 LEU CA C 89 55.608 55.608 54.879 0.729 25716 3011 1 6 . 1 1 89 89 LEU CB C 89 42.213 42.213 41.983 0.231 25716 3012 1 6 . 1 1 89 89 LEU H H 89 7.769 7.769 7.915 -0.146 25716 3013 1 7 . 1 1 2 2 ASP HA H 2 4.704 4.704 4.999 -0.295 25716 3014 1 7 . 1 1 2 2 ASP C C 2 173.822 173.822 176.158 -2.336 25716 3015 1 7 . 1 1 2 2 ASP CA C 2 54.130 54.130 53.738 0.392 25716 3016 1 7 . 1 1 2 2 ASP CB C 2 41.601 41.601 41.404 0.197 25716 3017 1 7 . 1 1 3 3 GLY N N 3 109.376 109.376 108.864 0.512 25716 3018 1 7 . 1 1 3 3 GLY C C 3 172.786 172.786 175.304 -2.518 25716 3019 1 7 . 1 1 3 3 GLY CA C 3 46.704 46.704 47.417 -0.713 25716 3020 1 7 . 1 1 3 3 GLY H H 3 8.712 8.712 8.543 0.169 25716 3021 1 7 . 1 1 4 4 GLU N N 4 120.623 120.623 119.269 1.354 25716 3022 1 7 . 1 1 4 4 GLU HA H 4 4.207 4.207 4.053 0.154 25716 3023 1 7 . 1 1 4 4 GLU C C 4 175.198 175.198 177.586 -2.388 25716 3024 1 7 . 1 1 4 4 GLU CA C 4 58.159 58.159 58.243 -0.084 25716 3025 1 7 . 1 1 4 4 GLU CB C 4 29.793 29.793 28.603 1.190 25716 3026 1 7 . 1 1 4 4 GLU H H 4 8.280 8.280 8.509 -0.229 25716 3027 1 7 . 1 1 5 5 GLU N N 5 121.684 121.684 121.351 0.333 25716 3028 1 7 . 1 1 5 5 GLU HA H 5 4.173 4.173 4.141 0.032 25716 3029 1 7 . 1 1 5 5 GLU C C 5 175.720 175.720 178.709 -2.989 25716 3030 1 7 . 1 1 5 5 GLU CA C 5 58.648 58.648 58.912 -0.264 25716 3031 1 7 . 1 1 5 5 GLU CB C 5 29.819 29.819 29.231 0.588 25716 3032 1 7 . 1 1 5 5 GLU H H 5 8.254 8.254 7.474 0.780 25716 3033 1 7 . 1 1 6 6 VAL N N 6 120.195 120.195 120.030 0.165 25716 3034 1 7 . 1 1 6 6 VAL HA H 6 3.594 3.594 3.811 -0.217 25716 3035 1 7 . 1 1 6 6 VAL C C 6 174.638 174.638 177.257 -2.619 25716 3036 1 7 . 1 1 6 6 VAL CA C 6 66.621 66.621 65.306 1.315 25716 3037 1 7 . 1 1 6 6 VAL CB C 6 32.041 32.041 31.967 0.074 25716 3038 1 7 . 1 1 6 6 VAL H H 6 8.137 8.137 7.711 0.426 25716 3039 1 7 . 1 1 7 7 LYS N N 7 118.688 118.688 119.418 -0.730 25716 3040 1 7 . 1 1 7 7 LYS HA H 7 3.776 3.776 3.908 -0.132 25716 3041 1 7 . 1 1 7 7 LYS C C 7 175.192 175.192 178.772 -3.580 25716 3042 1 7 . 1 1 7 7 LYS CA C 7 60.903 60.903 60.431 0.472 25716 3043 1 7 . 1 1 7 7 LYS CB C 7 32.251 32.251 32.231 0.020 25716 3044 1 7 . 1 1 7 7 LYS H H 7 8.099 8.099 7.468 0.631 25716 3045 1 7 . 1 1 8 8 GLU N N 8 117.138 117.138 118.560 -1.422 25716 3046 1 7 . 1 1 8 8 GLU HA H 8 4.188 4.188 3.992 0.196 25716 3047 1 7 . 1 1 8 8 GLU C C 8 176.405 176.405 178.968 -2.563 25716 3048 1 7 . 1 1 8 8 GLU CA C 8 58.635 58.635 59.468 -0.833 25716 3049 1 7 . 1 1 8 8 GLU CB C 8 29.149 29.149 28.927 0.222 25716 3050 1 7 . 1 1 8 8 GLU H H 8 7.875 7.875 8.290 -0.415 25716 3051 1 7 . 1 1 9 9 LYS N N 9 119.639 119.639 119.777 -0.138 25716 3052 1 7 . 1 1 9 9 LYS HA H 9 4.072 4.072 4.192 -0.120 25716 3053 1 7 . 1 1 9 9 LYS C C 9 177.376 177.376 179.190 -1.814 25716 3054 1 7 . 1 1 9 9 LYS CA C 9 59.994 59.994 59.417 0.577 25716 3055 1 7 . 1 1 9 9 LYS CB C 9 32.471 32.471 32.545 -0.074 25716 3056 1 7 . 1 1 9 9 LYS H H 9 8.102 8.102 7.367 0.735 25716 3057 1 7 . 1 1 10 10 ILE N N 10 119.456 119.456 119.601 -0.145 25716 3058 1 7 . 1 1 10 10 ILE HA H 10 3.713 3.713 3.753 -0.040 25716 3059 1 7 . 1 1 10 10 ILE C C 10 174.153 174.153 177.594 -3.441 25716 3060 1 7 . 1 1 10 10 ILE CA C 10 65.549 65.549 64.817 0.733 25716 3061 1 7 . 1 1 10 10 ILE CB C 10 37.522 37.522 37.931 -0.409 25716 3062 1 7 . 1 1 10 10 ILE H H 10 8.210 8.210 7.612 0.598 25716 3063 1 7 . 1 1 11 11 ARG N N 11 121.172 121.172 120.437 0.735 25716 3064 1 7 . 1 1 11 11 ARG HA H 11 3.608 3.608 3.940 -0.332 25716 3065 1 7 . 1 1 11 11 ARG C C 11 174.925 174.925 178.456 -3.531 25716 3066 1 7 . 1 1 11 11 ARG CA C 11 60.617 60.617 59.137 1.480 25716 3067 1 7 . 1 1 11 11 ARG CB C 11 30.480 30.480 29.608 0.872 25716 3068 1 7 . 1 1 11 11 ARG H H 11 8.851 8.851 8.422 0.429 25716 3069 1 7 . 1 1 12 12 ARG N N 12 116.578 116.578 118.452 -1.874 25716 3070 1 7 . 1 1 12 12 ARG HA H 12 3.935 3.935 4.142 -0.207 25716 3071 1 7 . 1 1 12 12 ARG C C 12 174.817 174.817 178.527 -3.710 25716 3072 1 7 . 1 1 12 12 ARG CA C 12 59.162 59.162 58.805 0.357 25716 3073 1 7 . 1 1 12 12 ARG CB C 12 29.476 29.476 29.876 -0.400 25716 3074 1 7 . 1 1 12 12 ARG H H 12 8.126 8.126 7.948 0.178 25716 3075 1 7 . 1 1 13 13 TYR N N 13 119.994 119.994 121.673 -1.679 25716 3076 1 7 . 1 1 13 13 TYR HA H 13 4.047 4.047 4.096 -0.049 25716 3077 1 7 . 1 1 13 13 TYR C C 13 175.273 175.273 177.567 -2.294 25716 3078 1 7 . 1 1 13 13 TYR CA C 13 61.856 61.856 60.839 1.017 25716 3079 1 7 . 1 1 13 13 TYR CB C 13 38.459 38.459 37.733 0.726 25716 3080 1 7 . 1 1 13 13 TYR H H 13 7.758 7.758 7.737 0.021 25716 3081 1 7 . 1 1 14 14 ILE N N 14 117.754 117.754 119.158 -1.404 25716 3082 1 7 . 1 1 14 14 ILE HA H 14 3.239 3.239 3.414 -0.175 25716 3083 1 7 . 1 1 14 14 ILE C C 14 175.425 175.425 177.025 -1.600 25716 3084 1 7 . 1 1 14 14 ILE CA C 14 65.826 65.826 65.489 0.337 25716 3085 1 7 . 1 1 14 14 ILE CB C 14 37.782 37.782 37.641 0.141 25716 3086 1 7 . 1 1 14 14 ILE H H 14 8.464 8.464 8.477 -0.013 25716 3087 1 7 . 1 1 15 15 MET N N 15 116.173 116.173 116.394 -0.221 25716 3088 1 7 . 1 1 15 15 MET HA H 15 3.939 3.939 4.182 -0.243 25716 3089 1 7 . 1 1 15 15 MET C C 15 174.676 174.676 177.537 -2.861 25716 3090 1 7 . 1 1 15 15 MET CA C 15 59.276 59.276 58.481 0.795 25716 3091 1 7 . 1 1 15 15 MET CB C 15 32.885 32.885 32.369 0.516 25716 3092 1 7 . 1 1 15 15 MET H H 15 8.265 8.265 7.347 0.918 25716 3093 1 7 . 1 1 16 16 GLU N N 16 116.398 116.398 118.078 -1.680 25716 3094 1 7 . 1 1 16 16 GLU HA H 16 3.980 3.980 4.105 -0.125 25716 3095 1 7 . 1 1 16 16 GLU C C 16 175.158 175.158 177.873 -2.715 25716 3096 1 7 . 1 1 16 16 GLU CA C 16 58.767 58.767 58.522 0.245 25716 3097 1 7 . 1 1 16 16 GLU CB C 16 30.078 30.078 29.901 0.177 25716 3098 1 7 . 1 1 16 16 GLU H H 16 8.619 8.619 7.801 0.818 25716 3099 1 7 . 1 1 17 17 ASP N N 17 116.973 116.973 117.609 -0.636 25716 3100 1 7 . 1 1 17 17 ASP HA H 17 4.591 4.591 4.527 0.064 25716 3101 1 7 . 1 1 17 17 ASP C C 17 174.240 174.240 177.938 -3.698 25716 3102 1 7 . 1 1 17 17 ASP CA C 17 55.438 55.438 55.522 -0.084 25716 3103 1 7 . 1 1 17 17 ASP CB C 17 42.657 42.657 41.636 1.021 25716 3104 1 7 . 1 1 17 17 ASP H H 17 8.119 8.119 7.712 0.407 25716 3105 1 7 . 1 1 18 18 LEU N N 18 115.667 115.667 119.565 -3.898 25716 3106 1 7 . 1 1 18 18 LEU HA H 18 4.488 4.488 4.159 0.329 25716 3107 1 7 . 1 1 18 18 LEU C C 18 175.062 175.062 177.801 -2.739 25716 3108 1 7 . 1 1 18 18 LEU CA C 18 56.075 56.075 56.614 -0.539 25716 3109 1 7 . 1 1 18 18 LEU CB C 18 41.096 41.096 42.696 -1.600 25716 3110 1 7 . 1 1 18 18 LEU H H 18 7.162 7.162 7.232 -0.070 25716 3111 1 7 . 1 1 19 19 ILE N N 19 120.763 120.763 115.901 4.862 25716 3112 1 7 . 1 1 19 19 ILE HA H 19 3.979 3.979 4.250 -0.271 25716 3113 1 7 . 1 1 19 19 ILE C C 19 174.557 174.557 175.992 -1.435 25716 3114 1 7 . 1 1 19 19 ILE CA C 19 63.809 63.809 60.683 3.126 25716 3115 1 7 . 1 1 19 19 ILE CB C 19 38.044 38.044 39.784 -1.740 25716 3116 1 7 . 1 1 19 19 ILE H H 19 8.017 8.017 7.925 0.092 25716 3117 1 7 . 1 1 20 20 GLY N N 20 108.619 108.619 110.501 -1.882 25716 3118 1 7 . 1 1 20 20 GLY CA C 20 44.560 44.560 45.105 -0.545 25716 3119 1 7 . 1 1 20 20 GLY H H 20 8.126 8.126 8.465 -0.339 25716 3120 1 7 . 1 1 21 21 PRO HA H 21 4.385 4.385 4.572 -0.187 25716 3121 1 7 . 1 1 21 21 PRO C C 21 174.855 174.855 177.576 -2.721 25716 3122 1 7 . 1 1 21 21 PRO CA C 21 64.406 64.406 64.157 0.249 25716 3123 1 7 . 1 1 21 21 PRO CB C 21 32.027 32.027 31.886 0.141 25716 3124 1 7 . 1 1 22 22 SER N N 22 114.165 114.165 114.276 -0.111 25716 3125 1 7 . 1 1 22 22 SER HA H 22 4.394 4.394 4.455 -0.061 25716 3126 1 7 . 1 1 22 22 SER C C 22 171.708 171.708 174.180 -2.472 25716 3127 1 7 . 1 1 22 22 SER CA C 22 58.871 58.871 57.793 1.078 25716 3128 1 7 . 1 1 22 22 SER CB C 22 63.473 63.473 62.274 1.199 25716 3129 1 7 . 1 1 22 22 SER H H 22 8.279 8.279 8.106 0.173 25716 3130 1 7 . 1 1 23 23 ALA N N 23 125.151 125.151 122.831 2.320 25716 3131 1 7 . 1 1 23 23 ALA HA H 23 4.250 4.250 4.540 -0.290 25716 3132 1 7 . 1 1 23 23 ALA C C 23 174.903 174.903 175.820 -0.917 25716 3133 1 7 . 1 1 23 23 ALA CA C 23 52.851 52.851 51.254 1.597 25716 3134 1 7 . 1 1 23 23 ALA CB C 23 19.376 19.376 19.617 -0.241 25716 3135 1 7 . 1 1 23 23 ALA H H 23 8.040 8.040 7.365 0.675 25716 3136 1 7 . 1 1 24 24 LYS N N 24 120.823 120.823 120.354 0.469 25716 3137 1 7 . 1 1 24 24 LYS HA H 24 4.346 4.346 4.225 0.121 25716 3138 1 7 . 1 1 24 24 LYS C C 24 174.522 174.522 178.275 -3.753 25716 3139 1 7 . 1 1 24 24 LYS CA C 24 55.938 55.938 55.977 -0.039 25716 3140 1 7 . 1 1 24 24 LYS CB C 24 33.187 33.187 33.383 -0.196 25716 3141 1 7 . 1 1 24 24 LYS H H 24 8.306 8.306 8.070 0.236 25716 3142 1 7 . 1 1 25 25 GLU N N 25 121.186 121.186 120.243 0.943 25716 3143 1 7 . 1 1 25 25 GLU HA H 25 4.114 4.114 4.022 0.092 25716 3144 1 7 . 1 1 25 25 GLU C C 25 173.808 173.808 176.818 -3.010 25716 3145 1 7 . 1 1 25 25 GLU CA C 25 58.023 58.023 59.393 -1.370 25716 3146 1 7 . 1 1 25 25 GLU CB C 25 29.769 29.769 29.667 0.102 25716 3147 1 7 . 1 1 25 25 GLU H H 25 8.569 8.569 8.874 -0.305 25716 3148 1 7 . 1 1 26 26 ASP N N 26 117.111 117.111 113.818 3.293 25716 3149 1 7 . 1 1 26 26 ASP HA H 26 4.569 4.569 4.715 -0.146 25716 3150 1 7 . 1 1 26 26 ASP C C 26 173.265 173.265 176.056 -2.791 25716 3151 1 7 . 1 1 26 26 ASP CA C 26 54.061 54.061 53.202 0.859 25716 3152 1 7 . 1 1 26 26 ASP CB C 26 40.742 40.742 40.934 -0.192 25716 3153 1 7 . 1 1 26 26 ASP H H 26 8.139 8.139 8.054 0.085 25716 3154 1 7 . 1 1 27 27 GLU N N 27 118.932 118.932 118.245 0.687 25716 3155 1 7 . 1 1 27 27 GLU HA H 27 4.239 4.239 4.358 -0.119 25716 3156 1 7 . 1 1 27 27 GLU C C 27 172.838 172.838 177.038 -4.200 25716 3157 1 7 . 1 1 27 27 GLU CA C 27 56.645 56.645 57.920 -1.275 25716 3158 1 7 . 1 1 27 27 GLU CB C 27 30.703 30.703 30.479 0.224 25716 3159 1 7 . 1 1 27 27 GLU H H 27 7.859 7.859 8.014 -0.155 25716 3160 1 7 . 1 1 28 28 LEU N N 28 121.726 121.726 120.577 1.149 25716 3161 1 7 . 1 1 28 28 LEU HA H 28 4.570 4.570 4.180 0.390 25716 3162 1 7 . 1 1 28 28 LEU C C 28 172.438 172.438 175.476 -3.038 25716 3163 1 7 . 1 1 28 28 LEU CA C 28 54.503 54.503 54.002 0.501 25716 3164 1 7 . 1 1 28 28 LEU CB C 28 43.342 43.342 41.273 2.069 25716 3165 1 7 . 1 1 28 28 LEU H H 28 7.671 7.671 7.279 0.392 25716 3166 1 7 . 1 1 29 29 ASP N N 29 126.685 126.685 123.219 3.466 25716 3167 1 7 . 1 1 29 29 ASP HA H 29 4.822 4.822 4.700 0.122 25716 3168 1 7 . 1 1 29 29 ASP C C 29 173.732 173.732 176.157 -2.425 25716 3169 1 7 . 1 1 29 29 ASP CA C 29 52.855 52.855 52.910 -0.055 25716 3170 1 7 . 1 1 29 29 ASP CB C 29 43.124 43.124 44.213 -1.089 25716 3171 1 7 . 1 1 29 29 ASP H H 29 8.950 8.950 7.846 1.104 25716 3172 1 7 . 1 1 30 30 ASP N N 30 120.317 120.317 120.436 -0.119 25716 3173 1 7 . 1 1 30 30 ASP HA H 30 4.247 4.247 4.384 -0.137 25716 3174 1 7 . 1 1 30 30 ASP C C 30 172.143 172.143 177.048 -4.905 25716 3175 1 7 . 1 1 30 30 ASP CA C 30 57.352 57.352 57.081 0.271 25716 3176 1 7 . 1 1 30 30 ASP CB C 30 40.160 40.160 41.310 -1.150 25716 3177 1 7 . 1 1 30 30 ASP H H 30 8.500 8.500 8.780 -0.280 25716 3178 1 7 . 1 1 31 31 GLN N N 31 111.109 111.109 116.544 -5.435 25716 3179 1 7 . 1 1 31 31 GLN HA H 31 4.590 4.590 4.504 0.086 25716 3180 1 7 . 1 1 31 31 GLN C C 31 174.343 174.343 175.744 -1.401 25716 3181 1 7 . 1 1 31 31 GLN CA C 31 54.437 54.437 54.707 -0.270 25716 3182 1 7 . 1 1 31 31 GLN CB C 31 30.038 30.038 29.955 0.083 25716 3183 1 7 . 1 1 31 31 GLN H H 31 8.234 8.234 7.877 0.357 25716 3184 1 7 . 1 1 32 32 THR N N 32 123.333 123.333 120.253 3.080 25716 3185 1 7 . 1 1 32 32 THR HA H 32 3.856 3.856 4.239 -0.383 25716 3186 1 7 . 1 1 32 32 THR CA C 32 62.805 62.805 61.275 1.530 25716 3187 1 7 . 1 1 32 32 THR CB C 32 69.907 69.907 68.869 1.038 25716 3188 1 7 . 1 1 32 32 THR H H 32 7.663 7.663 7.257 0.406 25716 3189 1 7 . 1 1 33 33 PRO HA H 33 4.823 4.823 4.678 0.145 25716 3190 1 7 . 1 1 33 33 PRO C C 33 172.190 172.190 177.240 -5.050 25716 3191 1 7 . 1 1 33 33 PRO CA C 33 61.670 61.670 63.058 -1.388 25716 3192 1 7 . 1 1 33 33 PRO CB C 33 29.880 29.880 31.452 -1.572 25716 3193 1 7 . 1 1 34 34 LEU N N 34 126.562 126.562 123.978 2.584 25716 3194 1 7 . 1 1 34 34 LEU HA H 34 3.820 3.820 3.811 0.009 25716 3195 1 7 . 1 1 34 34 LEU C C 34 176.590 176.590 178.381 -1.791 25716 3196 1 7 . 1 1 34 34 LEU CA C 34 57.808 57.808 58.155 -0.347 25716 3197 1 7 . 1 1 34 34 LEU CB C 34 42.569 42.569 41.582 0.987 25716 3198 1 7 . 1 1 34 34 LEU H H 34 7.988 7.988 8.112 -0.124 25716 3199 1 7 . 1 1 35 35 LEU N N 35 117.687 117.687 117.187 0.500 25716 3200 1 7 . 1 1 35 35 LEU HA H 35 4.539 4.539 4.084 0.455 25716 3201 1 7 . 1 1 35 35 LEU C C 35 178.411 178.411 179.469 -1.058 25716 3202 1 7 . 1 1 35 35 LEU CA C 35 56.531 56.531 57.157 -0.626 25716 3203 1 7 . 1 1 35 35 LEU CB C 35 41.338 41.338 41.782 -0.444 25716 3204 1 7 . 1 1 35 35 LEU H H 35 8.184 8.184 7.614 0.570 25716 3205 1 7 . 1 1 36 36 GLU N N 36 121.488 121.488 119.666 1.822 25716 3206 1 7 . 1 1 36 36 GLU HA H 36 4.118 4.118 4.177 -0.059 25716 3207 1 7 . 1 1 36 36 GLU C C 36 175.984 175.984 178.084 -2.100 25716 3208 1 7 . 1 1 36 36 GLU CA C 36 59.264 59.264 58.905 0.359 25716 3209 1 7 . 1 1 36 36 GLU CB C 36 29.608 29.608 29.287 0.321 25716 3210 1 7 . 1 1 36 36 GLU H H 36 7.857 7.857 7.957 -0.100 25716 3211 1 7 . 1 1 37 37 TRP N N 37 115.319 115.319 118.818 -3.499 25716 3212 1 7 . 1 1 37 37 TRP HA H 37 4.950 4.950 4.580 0.370 25716 3213 1 7 . 1 1 37 37 TRP C C 37 174.270 174.270 177.562 -3.292 25716 3214 1 7 . 1 1 37 37 TRP CA C 37 56.075 56.075 59.112 -3.037 25716 3215 1 7 . 1 1 37 37 TRP CB C 37 29.050 29.050 29.609 -0.559 25716 3216 1 7 . 1 1 37 37 TRP H H 37 8.180 8.180 8.290 -0.110 25716 3217 1 7 . 1 1 38 38 GLY N N 38 106.793 106.793 106.944 -0.151 25716 3218 1 7 . 1 1 38 38 GLY C C 38 171.784 171.784 175.642 -3.858 25716 3219 1 7 . 1 1 38 38 GLY CA C 38 46.275 46.275 45.806 0.469 25716 3220 1 7 . 1 1 38 38 GLY H H 38 7.704 7.704 7.745 -0.041 25716 3221 1 7 . 1 1 39 39 ILE N N 39 120.597 120.597 114.764 5.833 25716 3222 1 7 . 1 1 39 39 ILE HA H 39 3.753 3.753 4.186 -0.433 25716 3223 1 7 . 1 1 39 39 ILE C C 39 174.148 174.148 175.595 -1.447 25716 3224 1 7 . 1 1 39 39 ILE CA C 39 63.934 63.934 62.573 1.361 25716 3225 1 7 . 1 1 39 39 ILE CB C 39 38.673 38.673 38.404 0.269 25716 3226 1 7 . 1 1 39 39 ILE H H 39 7.697 7.697 7.541 0.156 25716 3227 1 7 . 1 1 40 40 LEU N N 40 115.102 115.102 121.922 -6.820 25716 3228 1 7 . 1 1 40 40 LEU HA H 40 4.934 4.934 4.630 0.304 25716 3229 1 7 . 1 1 40 40 LEU C C 40 172.286 172.286 175.432 -3.146 25716 3230 1 7 . 1 1 40 40 LEU CA C 40 52.249 52.249 53.894 -1.645 25716 3231 1 7 . 1 1 40 40 LEU CB C 40 43.454 43.454 41.642 1.812 25716 3232 1 7 . 1 1 40 40 LEU H H 40 7.307 7.307 7.423 -0.116 25716 3233 1 7 . 1 1 41 41 ASN N N 41 117.306 117.306 121.729 -4.423 25716 3234 1 7 . 1 1 41 41 ASN HA H 41 4.589 4.589 4.885 -0.296 25716 3235 1 7 . 1 1 41 41 ASN C C 41 171.807 171.807 175.013 -3.206 25716 3236 1 7 . 1 1 41 41 ASN CA C 41 52.017 52.017 52.151 -0.134 25716 3237 1 7 . 1 1 41 41 ASN CB C 41 39.872 39.872 40.403 -0.531 25716 3238 1 7 . 1 1 41 41 ASN H H 41 8.466 8.466 8.729 -0.263 25716 3239 1 7 . 1 1 42 42 SER N N 42 113.236 113.236 113.739 -0.503 25716 3240 1 7 . 1 1 42 42 SER HA H 42 4.116 4.116 4.347 -0.231 25716 3241 1 7 . 1 1 42 42 SER C C 42 171.631 171.631 176.292 -4.661 25716 3242 1 7 . 1 1 42 42 SER CA C 42 60.951 60.951 60.645 0.306 25716 3243 1 7 . 1 1 42 42 SER CB C 42 65.868 65.868 62.871 2.997 25716 3244 1 7 . 1 1 42 42 SER H H 42 9.138 9.138 8.521 0.617 25716 3245 1 7 . 1 1 43 43 MET N N 43 118.797 118.797 118.911 -0.114 25716 3246 1 7 . 1 1 43 43 MET HA H 43 4.467 4.467 4.336 0.131 25716 3247 1 7 . 1 1 43 43 MET CA C 43 57.429 57.429 57.689 -0.260 25716 3248 1 7 . 1 1 43 43 MET CB C 43 32.494 32.494 32.435 0.059 25716 3249 1 7 . 1 1 43 43 MET H H 43 8.292 8.292 8.024 0.268 25716 3250 1 7 . 1 1 44 44 ASN N N 44 117.701 117.701 117.011 0.690 25716 3251 1 7 . 1 1 44 44 ASN HA H 44 4.686 4.686 4.713 -0.027 25716 3252 1 7 . 1 1 44 44 ASN C C 44 175.889 175.889 176.780 -0.891 25716 3253 1 7 . 1 1 44 44 ASN CA C 44 53.826 53.826 53.842 -0.016 25716 3254 1 7 . 1 1 44 44 ASN CB C 44 38.484 38.484 38.705 -0.221 25716 3255 1 7 . 1 1 44 44 ASN H H 44 8.299 8.299 7.946 0.353 25716 3256 1 7 . 1 1 45 45 ILE N N 45 122.124 122.124 121.960 0.164 25716 3257 1 7 . 1 1 45 45 ILE HA H 45 3.783 3.783 3.744 0.039 25716 3258 1 7 . 1 1 45 45 ILE C C 45 174.370 174.370 177.135 -2.765 25716 3259 1 7 . 1 1 45 45 ILE CA C 45 64.892 64.892 63.880 1.012 25716 3260 1 7 . 1 1 45 45 ILE CB C 45 37.778 37.778 37.770 0.008 25716 3261 1 7 . 1 1 45 45 ILE H H 45 8.417 8.417 7.765 0.652 25716 3262 1 7 . 1 1 46 46 VAL N N 46 120.176 120.176 115.427 4.749 25716 3263 1 7 . 1 1 46 46 VAL HA H 46 3.714 3.714 3.811 -0.097 25716 3264 1 7 . 1 1 46 46 VAL C C 46 175.129 175.129 177.265 -2.136 25716 3265 1 7 . 1 1 46 46 VAL CA C 46 66.227 66.227 66.144 0.083 25716 3266 1 7 . 1 1 46 46 VAL CB C 46 31.294 31.294 31.099 0.195 25716 3267 1 7 . 1 1 46 46 VAL H H 46 7.394 7.394 7.926 -0.532 25716 3268 1 7 . 1 1 47 47 LYS N N 47 118.640 118.640 120.525 -1.885 25716 3269 1 7 . 1 1 47 47 LYS HA H 47 4.005 4.005 4.220 -0.215 25716 3270 1 7 . 1 1 47 47 LYS CA C 47 60.033 60.033 59.103 0.930 25716 3271 1 7 . 1 1 47 47 LYS CB C 47 32.093 32.093 31.662 0.431 25716 3272 1 7 . 1 1 47 47 LYS H H 47 7.221 7.221 7.235 -0.014 25716 3273 1 7 . 1 1 48 48 LEU N N 48 119.812 119.812 120.534 -0.722 25716 3274 1 7 . 1 1 48 48 LEU HA H 48 4.261 4.261 4.216 0.045 25716 3275 1 7 . 1 1 48 48 LEU C C 48 175.105 175.105 178.942 -3.837 25716 3276 1 7 . 1 1 48 48 LEU CA C 48 57.717 57.717 57.898 -0.181 25716 3277 1 7 . 1 1 48 48 LEU CB C 48 41.683 41.683 41.950 -0.267 25716 3278 1 7 . 1 1 48 48 LEU H H 48 7.812 7.812 7.776 0.036 25716 3279 1 7 . 1 1 49 49 MET N N 49 118.031 118.031 117.935 0.096 25716 3280 1 7 . 1 1 49 49 MET HA H 49 3.919 3.919 4.128 -0.209 25716 3281 1 7 . 1 1 49 49 MET C C 49 176.673 176.673 178.960 -2.287 25716 3282 1 7 . 1 1 49 49 MET CA C 49 60.304 60.304 59.533 0.770 25716 3283 1 7 . 1 1 49 49 MET CB C 49 33.071 33.071 32.645 0.426 25716 3284 1 7 . 1 1 49 49 MET H H 49 8.583 8.583 8.038 0.545 25716 3285 1 7 . 1 1 50 50 VAL N N 50 122.370 122.370 116.418 5.952 25716 3286 1 7 . 1 1 50 50 VAL HA H 50 3.497 3.497 3.823 -0.326 25716 3287 1 7 . 1 1 50 50 VAL C C 50 173.639 173.639 177.031 -3.392 25716 3288 1 7 . 1 1 50 50 VAL CA C 50 67.182 67.182 66.095 1.087 25716 3289 1 7 . 1 1 50 50 VAL CB C 50 31.551 31.551 30.822 0.730 25716 3290 1 7 . 1 1 50 50 VAL H H 50 8.246 8.246 8.217 0.029 25716 3291 1 7 . 1 1 51 51 TYR N N 51 121.444 121.444 121.130 0.314 25716 3292 1 7 . 1 1 51 51 TYR HA H 51 4.110 4.110 4.009 0.101 25716 3293 1 7 . 1 1 51 51 TYR C C 51 174.688 174.688 176.807 -2.119 25716 3294 1 7 . 1 1 51 51 TYR CA C 51 61.795 61.795 61.999 -0.204 25716 3295 1 7 . 1 1 51 51 TYR CB C 51 38.036 38.036 38.150 -0.114 25716 3296 1 7 . 1 1 51 51 TYR H H 51 7.774 7.774 7.184 0.590 25716 3297 1 7 . 1 1 52 52 ILE N N 52 118.347 118.347 118.596 -0.249 25716 3298 1 7 . 1 1 52 52 ILE HA H 52 3.283 3.283 3.647 -0.364 25716 3299 1 7 . 1 1 52 52 ILE C C 52 175.421 175.421 178.029 -2.608 25716 3300 1 7 . 1 1 52 52 ILE CA C 52 65.477 65.477 64.359 1.118 25716 3301 1 7 . 1 1 52 52 ILE CB C 52 38.703 38.703 37.250 1.453 25716 3302 1 7 . 1 1 52 52 ILE H H 52 8.388 8.388 8.437 -0.049 25716 3303 1 7 . 1 1 53 53 ARG N N 53 121.323 121.323 120.393 0.930 25716 3304 1 7 . 1 1 53 53 ARG HA H 53 3.920 3.920 4.306 -0.386 25716 3305 1 7 . 1 1 53 53 ARG C C 53 176.463 176.463 178.087 -1.624 25716 3306 1 7 . 1 1 53 53 ARG CA C 53 59.458 59.458 58.436 1.022 25716 3307 1 7 . 1 1 53 53 ARG CB C 53 30.296 30.296 29.404 0.892 25716 3308 1 7 . 1 1 53 53 ARG H H 53 7.831 7.831 7.785 0.046 25716 3309 1 7 . 1 1 54 54 ASP N N 54 119.945 119.945 118.650 1.295 25716 3310 1 7 . 1 1 54 54 ASP HA H 54 4.319 4.319 4.458 -0.139 25716 3311 1 7 . 1 1 54 54 ASP C C 54 175.314 175.314 177.783 -2.469 25716 3312 1 7 . 1 1 54 54 ASP CA C 54 57.126 57.126 57.178 -0.053 25716 3313 1 7 . 1 1 54 54 ASP CB C 54 40.074 40.074 41.048 -0.974 25716 3314 1 7 . 1 1 54 54 ASP H H 54 8.760 8.760 7.769 0.991 25716 3315 1 7 . 1 1 55 55 GLU N N 55 117.530 117.530 118.819 -1.289 25716 3316 1 7 . 1 1 55 55 GLU HA H 55 4.239 4.239 3.977 0.262 25716 3317 1 7 . 1 1 55 55 GLU C C 55 175.224 175.224 177.877 -2.653 25716 3318 1 7 . 1 1 55 55 GLU CA C 55 56.852 56.852 57.736 -0.884 25716 3319 1 7 . 1 1 55 55 GLU CB C 55 29.329 29.329 29.609 -0.280 25716 3320 1 7 . 1 1 55 55 GLU H H 55 8.701 8.701 8.079 0.622 25716 3321 1 7 . 1 1 56 56 MET N N 56 113.874 113.874 116.639 -2.765 25716 3322 1 7 . 1 1 56 56 MET HA H 56 4.566 4.566 4.424 0.142 25716 3323 1 7 . 1 1 56 56 MET C C 56 173.968 173.968 176.668 -2.700 25716 3324 1 7 . 1 1 56 56 MET CA C 56 55.539 55.539 54.461 1.078 25716 3325 1 7 . 1 1 56 56 MET CB C 56 34.094 34.094 33.637 0.457 25716 3326 1 7 . 1 1 56 56 MET H H 56 7.464 7.464 7.586 -0.122 25716 3327 1 7 . 1 1 57 57 GLY N N 57 107.900 107.900 106.213 1.687 25716 3328 1 7 . 1 1 57 57 GLY C C 57 171.496 171.496 173.540 -2.044 25716 3329 1 7 . 1 1 57 57 GLY CA C 57 46.561 46.561 45.369 1.192 25716 3330 1 7 . 1 1 57 57 GLY H H 57 7.291 7.291 7.884 -0.593 25716 3331 1 7 . 1 1 58 58 VAL N N 58 117.126 117.126 120.816 -3.690 25716 3332 1 7 . 1 1 58 58 VAL HA H 58 4.283 4.283 4.249 0.034 25716 3333 1 7 . 1 1 58 58 VAL C C 58 171.116 171.116 175.454 -4.338 25716 3334 1 7 . 1 1 58 58 VAL CA C 58 60.487 60.487 60.954 -0.467 25716 3335 1 7 . 1 1 58 58 VAL CB C 58 34.837 34.837 32.906 1.931 25716 3336 1 7 . 1 1 58 58 VAL H H 58 6.970 6.970 7.391 -0.421 25716 3337 1 7 . 1 1 59 59 SER N N 59 122.188 122.188 121.808 0.380 25716 3338 1 7 . 1 1 59 59 SER HA H 59 4.432 4.432 4.562 -0.130 25716 3339 1 7 . 1 1 59 59 SER C C 59 170.766 170.766 174.609 -3.843 25716 3340 1 7 . 1 1 59 59 SER CA C 59 56.563 56.563 57.812 -1.249 25716 3341 1 7 . 1 1 59 59 SER CB C 59 63.106 63.106 63.475 -0.369 25716 3342 1 7 . 1 1 59 59 SER H H 59 8.609 8.609 8.431 0.178 25716 3343 1 7 . 1 1 60 60 ILE N N 60 128.230 128.230 126.880 1.350 25716 3344 1 7 . 1 1 60 60 ILE HA H 60 4.033 4.033 4.388 -0.355 25716 3345 1 7 . 1 1 60 60 ILE CA C 60 58.127 58.127 58.509 -0.382 25716 3346 1 7 . 1 1 60 60 ILE CB C 60 38.217 38.217 37.865 0.352 25716 3347 1 7 . 1 1 60 60 ILE H H 60 8.257 8.257 8.394 -0.137 25716 3348 1 7 . 1 1 61 61 PRO HA H 61 4.501 4.501 4.697 -0.196 25716 3349 1 7 . 1 1 61 61 PRO CA C 61 62.352 62.352 62.025 0.327 25716 3350 1 7 . 1 1 61 61 PRO CB C 61 32.469 32.469 32.704 -0.235 25716 3351 1 7 . 1 1 62 62 SER HA H 62 4.058 4.058 4.261 -0.203 25716 3352 1 7 . 1 1 62 62 SER C C 62 173.269 173.269 175.476 -2.207 25716 3353 1 7 . 1 1 62 62 SER CA C 62 61.511 61.511 60.795 0.716 25716 3354 1 7 . 1 1 62 62 SER CB C 62 62.646 62.646 62.885 -0.239 25716 3355 1 7 . 1 1 63 63 THR N N 63 110.178 110.178 114.910 -4.732 25716 3356 1 7 . 1 1 63 63 THR HA H 63 4.066 4.066 4.222 -0.156 25716 3357 1 7 . 1 1 63 63 THR C C 63 172.917 172.917 175.138 -2.221 25716 3358 1 7 . 1 1 63 63 THR CA C 63 63.007 63.007 63.789 -0.782 25716 3359 1 7 . 1 1 63 63 THR CB C 63 69.323 69.323 68.858 0.465 25716 3360 1 7 . 1 1 63 63 THR H H 63 7.307 7.307 8.074 -0.767 25716 3361 1 7 . 1 1 64 64 HIS N N 64 121.862 121.862 118.196 3.666 25716 3362 1 7 . 1 1 64 64 HIS HA H 64 4.495 4.495 4.800 -0.305 25716 3363 1 7 . 1 1 64 64 HIS C C 64 171.495 171.495 175.090 -3.595 25716 3364 1 7 . 1 1 64 64 HIS CA C 64 56.203 56.203 56.471 -0.268 25716 3365 1 7 . 1 1 64 64 HIS CB C 64 29.814 29.814 30.968 -1.153 25716 3366 1 7 . 1 1 64 64 HIS H H 64 8.132 8.132 7.657 0.475 25716 3367 1 7 . 1 1 65 65 ILE N N 65 118.536 118.536 122.285 -3.749 25716 3368 1 7 . 1 1 65 65 ILE HA H 65 4.165 4.165 4.489 -0.324 25716 3369 1 7 . 1 1 65 65 ILE C C 65 172.049 172.049 175.346 -3.297 25716 3370 1 7 . 1 1 65 65 ILE CA C 65 60.576 60.576 60.589 -0.013 25716 3371 1 7 . 1 1 65 65 ILE CB C 65 35.561 35.561 35.590 -0.029 25716 3372 1 7 . 1 1 65 65 ILE H H 65 7.223 7.223 7.513 -0.290 25716 3373 1 7 . 1 1 66 66 THR N N 66 114.529 114.529 122.207 -7.678 25716 3374 1 7 . 1 1 66 66 THR HA H 66 4.635 4.635 4.587 0.048 25716 3375 1 7 . 1 1 66 66 THR C C 66 172.176 172.176 175.706 -3.530 25716 3376 1 7 . 1 1 66 66 THR CA C 66 59.827 59.827 60.678 -0.851 25716 3377 1 7 . 1 1 66 66 THR CB C 66 70.679 70.679 72.180 -1.501 25716 3378 1 7 . 1 1 66 66 THR H H 66 7.943 7.943 8.108 -0.165 25716 3379 1 7 . 1 1 67 67 GLY N N 67 109.454 109.454 112.329 -2.875 25716 3380 1 7 . 1 1 67 67 GLY C C 67 172.080 172.080 175.111 -3.031 25716 3381 1 7 . 1 1 67 67 GLY CA C 67 47.245 47.245 46.525 0.720 25716 3382 1 7 . 1 1 67 67 GLY H H 67 8.736 8.736 8.831 -0.095 25716 3383 1 7 . 1 1 68 68 LYS N N 68 118.551 118.551 121.409 -2.858 25716 3384 1 7 . 1 1 68 68 LYS HA H 68 3.851 3.851 3.934 -0.083 25716 3385 1 7 . 1 1 68 68 LYS C C 68 174.455 174.455 178.095 -3.640 25716 3386 1 7 . 1 1 68 68 LYS CA C 68 58.697 58.697 58.911 -0.214 25716 3387 1 7 . 1 1 68 68 LYS CB C 68 32.350 32.350 32.208 0.142 25716 3388 1 7 . 1 1 68 68 LYS H H 68 7.968 7.968 7.407 0.561 25716 3389 1 7 . 1 1 69 69 TYR N N 69 115.203 115.203 115.535 -0.332 25716 3390 1 7 . 1 1 69 69 TYR HA H 69 4.213 4.213 4.418 -0.205 25716 3391 1 7 . 1 1 69 69 TYR C C 69 171.772 171.772 177.088 -5.316 25716 3392 1 7 . 1 1 69 69 TYR CA C 69 59.212 59.212 58.852 0.360 25716 3393 1 7 . 1 1 69 69 TYR CB C 69 38.555 38.555 38.846 -0.291 25716 3394 1 7 . 1 1 69 69 TYR H H 69 6.826 6.826 7.402 -0.576 25716 3395 1 7 . 1 1 70 70 PHE N N 70 112.140 112.140 113.895 -1.755 25716 3396 1 7 . 1 1 70 70 PHE HA H 70 4.629 4.629 4.479 0.150 25716 3397 1 7 . 1 1 70 70 PHE C C 70 171.998 171.998 176.852 -4.854 25716 3398 1 7 . 1 1 70 70 PHE CA C 70 57.245 57.245 58.912 -1.667 25716 3399 1 7 . 1 1 70 70 PHE CB C 70 40.329 40.329 38.412 1.917 25716 3400 1 7 . 1 1 70 70 PHE H H 70 7.327 7.327 7.938 -0.611 25716 3401 1 7 . 1 1 71 71 LYS N N 71 113.603 113.603 120.125 -6.522 25716 3402 1 7 . 1 1 71 71 LYS HA H 71 3.875 3.875 4.082 -0.207 25716 3403 1 7 . 1 1 71 71 LYS C C 71 172.963 172.963 175.669 -2.706 25716 3404 1 7 . 1 1 71 71 LYS CA C 71 59.667 59.667 58.704 0.963 25716 3405 1 7 . 1 1 71 71 LYS CB C 71 33.074 33.074 32.986 0.088 25716 3406 1 7 . 1 1 71 71 LYS H H 71 6.925 6.925 7.816 -0.891 25716 3407 1 7 . 1 1 72 72 ASP N N 72 110.434 110.434 111.682 -1.248 25716 3408 1 7 . 1 1 72 72 ASP HA H 72 4.441 4.441 4.812 -0.371 25716 3409 1 7 . 1 1 72 72 ASP C C 72 172.750 172.750 176.507 -3.757 25716 3410 1 7 . 1 1 72 72 ASP CA C 72 52.378 52.378 52.749 -0.371 25716 3411 1 7 . 1 1 72 72 ASP CB C 72 42.426 42.426 43.324 -0.898 25716 3412 1 7 . 1 1 72 72 ASP H H 72 7.363 7.363 7.517 -0.154 25716 3413 1 7 . 1 1 73 73 LEU N N 73 120.273 120.273 118.929 1.344 25716 3414 1 7 . 1 1 73 73 LEU HA H 73 3.920 3.920 3.944 -0.024 25716 3415 1 7 . 1 1 73 73 LEU C C 73 176.648 176.648 178.545 -1.897 25716 3416 1 7 . 1 1 73 73 LEU CA C 73 58.120 58.120 57.987 0.133 25716 3417 1 7 . 1 1 73 73 LEU CB C 73 42.574 42.574 41.873 0.701 25716 3418 1 7 . 1 1 73 73 LEU H H 73 9.983 9.983 8.144 1.839 25716 3419 1 7 . 1 1 74 74 ASN N N 74 119.506 119.506 117.582 1.924 25716 3420 1 7 . 1 1 74 74 ASN HA H 74 4.405 4.405 4.455 -0.050 25716 3421 1 7 . 1 1 74 74 ASN C C 74 174.659 174.659 177.242 -2.583 25716 3422 1 7 . 1 1 74 74 ASN CA C 74 56.287 56.287 56.456 -0.169 25716 3423 1 7 . 1 1 74 74 ASN CB C 74 37.579 37.579 38.299 -0.720 25716 3424 1 7 . 1 1 74 74 ASN H H 74 7.893 7.893 8.069 -0.176 25716 3425 1 7 . 1 1 75 75 ALA N N 75 125.068 125.068 122.735 2.333 25716 3426 1 7 . 1 1 75 75 ALA HA H 75 4.097 4.097 4.277 -0.180 25716 3427 1 7 . 1 1 75 75 ALA C C 75 177.809 177.809 179.474 -1.665 25716 3428 1 7 . 1 1 75 75 ALA CA C 75 55.365 55.365 54.483 0.882 25716 3429 1 7 . 1 1 75 75 ALA CB C 75 18.572 18.572 18.534 0.038 25716 3430 1 7 . 1 1 75 75 ALA H H 75 8.951 8.951 7.636 1.315 25716 3431 1 7 . 1 1 76 76 ILE N N 76 119.561 119.561 119.164 0.397 25716 3432 1 7 . 1 1 76 76 ILE HA H 76 3.615 3.615 3.237 0.378 25716 3433 1 7 . 1 1 76 76 ILE C C 76 175.344 175.344 177.547 -2.203 25716 3434 1 7 . 1 1 76 76 ILE CA C 76 65.272 65.272 64.977 0.295 25716 3435 1 7 . 1 1 76 76 ILE CB C 76 39.056 39.056 37.861 1.195 25716 3436 1 7 . 1 1 76 76 ILE H H 76 8.386 8.386 7.746 0.640 25716 3437 1 7 . 1 1 77 77 SER N N 77 114.090 114.090 115.614 -1.524 25716 3438 1 7 . 1 1 77 77 SER HA H 77 3.878 3.878 4.102 -0.224 25716 3439 1 7 . 1 1 77 77 SER C C 77 173.592 173.592 176.526 -2.934 25716 3440 1 7 . 1 1 77 77 SER CA C 77 62.733 62.733 61.977 0.756 25716 3441 1 7 . 1 1 77 77 SER CB C 77 62.864 62.864 63.087 -0.223 25716 3442 1 7 . 1 1 77 77 SER H H 77 8.250 8.250 8.434 -0.184 25716 3443 1 7 . 1 1 78 78 ARG N N 78 121.670 121.670 119.988 1.682 25716 3444 1 7 . 1 1 78 78 ARG HA H 78 4.129 4.129 4.046 0.083 25716 3445 1 7 . 1 1 78 78 ARG C C 78 176.111 176.111 178.347 -2.236 25716 3446 1 7 . 1 1 78 78 ARG CA C 78 59.328 59.328 59.086 0.242 25716 3447 1 7 . 1 1 78 78 ARG CB C 78 29.814 29.814 29.443 0.371 25716 3448 1 7 . 1 1 78 78 ARG H H 78 8.086 8.086 7.729 0.357 25716 3449 1 7 . 1 1 79 79 THR N N 79 118.928 118.928 113.505 5.423 25716 3450 1 7 . 1 1 79 79 THR HA H 79 4.525 4.525 3.932 0.593 25716 3451 1 7 . 1 1 79 79 THR C C 79 173.364 173.364 175.894 -2.530 25716 3452 1 7 . 1 1 79 79 THR CA C 79 68.289 68.289 64.579 3.710 25716 3453 1 7 . 1 1 79 79 THR CB C 79 67.268 67.268 67.852 -0.584 25716 3454 1 7 . 1 1 79 79 THR H H 79 8.351 8.351 7.238 1.113 25716 3455 1 7 . 1 1 80 80 VAL N N 80 120.643 120.643 121.868 -1.225 25716 3456 1 7 . 1 1 80 80 VAL HA H 80 3.339 3.339 3.596 -0.257 25716 3457 1 7 . 1 1 80 80 VAL C C 80 174.438 174.438 178.042 -3.604 25716 3458 1 7 . 1 1 80 80 VAL CA C 80 67.603 67.603 66.460 1.142 25716 3459 1 7 . 1 1 80 80 VAL CB C 80 31.532 31.532 31.177 0.355 25716 3460 1 7 . 1 1 80 80 VAL H H 80 8.242 8.242 7.430 0.812 25716 3461 1 7 . 1 1 81 81 GLU N N 81 118.067 118.067 117.905 0.162 25716 3462 1 7 . 1 1 81 81 GLU HA H 81 3.943 3.943 4.048 -0.105 25716 3463 1 7 . 1 1 81 81 GLU C C 81 176.961 176.961 179.168 -2.207 25716 3464 1 7 . 1 1 81 81 GLU CA C 81 59.974 59.974 58.541 1.433 25716 3465 1 7 . 1 1 81 81 GLU CB C 81 29.817 29.817 28.848 0.969 25716 3466 1 7 . 1 1 81 81 GLU H H 81 8.296 8.296 8.440 -0.144 25716 3467 1 7 . 1 1 82 82 GLN N N 82 119.947 119.947 120.868 -0.921 25716 3468 1 7 . 1 1 82 82 GLN HA H 82 4.110 4.110 4.048 0.062 25716 3469 1 7 . 1 1 82 82 GLN C C 82 176.023 176.023 178.051 -2.028 25716 3470 1 7 . 1 1 82 82 GLN CA C 82 58.991 58.991 58.481 0.510 25716 3471 1 7 . 1 1 82 82 GLN CB C 82 28.136 28.136 28.057 0.079 25716 3472 1 7 . 1 1 82 82 GLN H H 82 8.444 8.444 7.614 0.830 25716 3473 1 7 . 1 1 83 83 LEU N N 83 119.916 119.916 119.508 0.408 25716 3474 1 7 . 1 1 83 83 LEU HA H 83 4.075 4.075 3.917 0.158 25716 3475 1 7 . 1 1 83 83 LEU C C 83 177.753 177.753 179.178 -1.425 25716 3476 1 7 . 1 1 83 83 LEU CA C 83 57.453 57.453 57.716 -0.263 25716 3477 1 7 . 1 1 83 83 LEU CB C 83 41.673 41.673 41.458 0.215 25716 3478 1 7 . 1 1 83 83 LEU H H 83 8.149 8.149 8.018 0.131 25716 3479 1 7 . 1 1 84 84 LYS N N 84 121.059 121.059 119.545 1.514 25716 3480 1 7 . 1 1 84 84 LYS HA H 84 3.951 3.951 4.065 -0.114 25716 3481 1 7 . 1 1 84 84 LYS C C 84 176.055 176.055 178.840 -2.785 25716 3482 1 7 . 1 1 84 84 LYS CA C 84 59.328 59.328 59.224 0.104 25716 3483 1 7 . 1 1 84 84 LYS CB C 84 32.291 32.291 32.309 -0.018 25716 3484 1 7 . 1 1 84 84 LYS H H 84 8.373 8.373 7.852 0.521 25716 3485 1 7 . 1 1 85 85 ALA N N 85 122.134 122.134 122.468 -0.334 25716 3486 1 7 . 1 1 85 85 ALA HA H 85 4.188 4.188 4.051 0.137 25716 3487 1 7 . 1 1 85 85 ALA C C 85 177.240 177.240 180.036 -2.796 25716 3488 1 7 . 1 1 85 85 ALA CA C 85 54.423 54.423 55.242 -0.820 25716 3489 1 7 . 1 1 85 85 ALA CB C 85 18.193 18.193 18.065 0.128 25716 3490 1 7 . 1 1 85 85 ALA H H 85 7.854 7.854 7.682 0.172 25716 3491 1 7 . 1 1 86 86 GLU N N 86 117.813 117.813 117.771 0.042 25716 3492 1 7 . 1 1 86 86 GLU HA H 86 4.115 4.115 4.003 0.112 25716 3493 1 7 . 1 1 86 86 GLU C C 86 175.547 175.547 179.463 -3.916 25716 3494 1 7 . 1 1 86 86 GLU CA C 86 58.199 58.199 58.758 -0.559 25716 3495 1 7 . 1 1 86 86 GLU CB C 86 29.841 29.841 29.111 0.730 25716 3496 1 7 . 1 1 86 86 GLU H H 86 8.059 8.059 8.240 -0.181 25716 3497 1 7 . 1 1 87 87 SER N N 87 114.771 114.771 114.591 0.180 25716 3498 1 7 . 1 1 87 87 SER HA H 87 4.362 4.362 4.500 -0.138 25716 3499 1 7 . 1 1 87 87 SER C C 87 172.405 172.405 176.240 -3.835 25716 3500 1 7 . 1 1 87 87 SER CA C 87 59.806 59.806 60.773 -0.967 25716 3501 1 7 . 1 1 87 87 SER CB C 87 63.528 63.528 63.203 0.325 25716 3502 1 7 . 1 1 87 87 SER H H 87 7.908 7.908 7.941 -0.033 25716 3503 1 7 . 1 1 88 88 ALA N N 88 124.277 124.277 123.887 0.390 25716 3504 1 7 . 1 1 88 88 ALA HA H 88 4.284 4.284 4.172 0.112 25716 3505 1 7 . 1 1 88 88 ALA C C 88 175.489 175.489 178.944 -3.455 25716 3506 1 7 . 1 1 88 88 ALA CA C 88 53.087 53.087 54.248 -1.161 25716 3507 1 7 . 1 1 88 88 ALA CB C 88 18.792 18.792 19.020 -0.228 25716 3508 1 7 . 1 1 88 88 ALA H H 88 7.812 7.812 7.834 -0.022 25716 3509 1 7 . 1 1 89 89 LEU N N 89 119.411 119.411 118.664 0.747 25716 3510 1 7 . 1 1 89 89 LEU HA H 89 4.219 4.219 4.129 0.090 25716 3511 1 7 . 1 1 89 89 LEU C C 89 175.025 175.025 178.151 -3.126 25716 3512 1 7 . 1 1 89 89 LEU CA C 89 55.608 55.608 56.127 -0.519 25716 3513 1 7 . 1 1 89 89 LEU CB C 89 42.213 42.213 42.312 -0.099 25716 3514 1 7 . 1 1 89 89 LEU H H 89 7.769 7.769 7.769 -0.000 25716 3515 1 8 . 1 1 2 2 ASP HA H 2 4.704 4.704 4.746 -0.042 25716 3516 1 8 . 1 1 2 2 ASP C C 2 173.822 173.822 177.612 -3.790 25716 3517 1 8 . 1 1 2 2 ASP CA C 2 54.130 54.130 54.385 -0.255 25716 3518 1 8 . 1 1 2 2 ASP CB C 2 41.601 41.601 41.112 0.489 25716 3519 1 8 . 1 1 3 3 GLY N N 3 109.376 109.376 110.216 -0.840 25716 3520 1 8 . 1 1 3 3 GLY C C 3 172.786 172.786 176.173 -3.387 25716 3521 1 8 . 1 1 3 3 GLY CA C 3 46.704 46.704 46.867 -0.163 25716 3522 1 8 . 1 1 3 3 GLY H H 3 8.712 8.712 8.532 0.180 25716 3523 1 8 . 1 1 4 4 GLU N N 4 120.623 120.623 124.435 -3.812 25716 3524 1 8 . 1 1 4 4 GLU HA H 4 4.207 4.207 4.174 0.033 25716 3525 1 8 . 1 1 4 4 GLU C C 4 175.198 175.198 177.842 -2.644 25716 3526 1 8 . 1 1 4 4 GLU CA C 4 58.159 58.159 58.016 0.143 25716 3527 1 8 . 1 1 4 4 GLU CB C 4 29.793 29.793 29.566 0.227 25716 3528 1 8 . 1 1 4 4 GLU H H 4 8.280 8.280 8.168 0.112 25716 3529 1 8 . 1 1 5 5 GLU N N 5 121.684 121.684 120.251 1.433 25716 3530 1 8 . 1 1 5 5 GLU HA H 5 4.173 4.173 4.072 0.101 25716 3531 1 8 . 1 1 5 5 GLU C C 5 175.720 175.720 178.879 -3.159 25716 3532 1 8 . 1 1 5 5 GLU CA C 5 58.648 58.648 59.211 -0.563 25716 3533 1 8 . 1 1 5 5 GLU CB C 5 29.819 29.819 29.043 0.776 25716 3534 1 8 . 1 1 5 5 GLU H H 5 8.254 8.254 7.996 0.258 25716 3535 1 8 . 1 1 6 6 VAL N N 6 120.195 120.195 120.164 0.031 25716 3536 1 8 . 1 1 6 6 VAL HA H 6 3.594 3.594 3.626 -0.032 25716 3537 1 8 . 1 1 6 6 VAL C C 6 174.638 174.638 178.070 -3.432 25716 3538 1 8 . 1 1 6 6 VAL CA C 6 66.621 66.621 66.345 0.276 25716 3539 1 8 . 1 1 6 6 VAL CB C 6 32.041 32.041 31.558 0.482 25716 3540 1 8 . 1 1 6 6 VAL H H 6 8.137 8.137 7.662 0.475 25716 3541 1 8 . 1 1 7 7 LYS N N 7 118.688 118.688 119.038 -0.350 25716 3542 1 8 . 1 1 7 7 LYS HA H 7 3.776 3.776 4.020 -0.244 25716 3543 1 8 . 1 1 7 7 LYS C C 7 175.192 175.192 179.093 -3.901 25716 3544 1 8 . 1 1 7 7 LYS CA C 7 60.903 60.903 59.461 1.442 25716 3545 1 8 . 1 1 7 7 LYS CB C 7 32.251 32.251 32.020 0.231 25716 3546 1 8 . 1 1 7 7 LYS H H 7 8.099 8.099 7.794 0.305 25716 3547 1 8 . 1 1 8 8 GLU N N 8 117.138 117.138 118.547 -1.409 25716 3548 1 8 . 1 1 8 8 GLU HA H 8 4.188 4.188 4.029 0.159 25716 3549 1 8 . 1 1 8 8 GLU C C 8 176.405 176.405 179.172 -2.767 25716 3550 1 8 . 1 1 8 8 GLU CA C 8 58.635 58.635 59.080 -0.445 25716 3551 1 8 . 1 1 8 8 GLU CB C 8 29.149 29.149 29.082 0.067 25716 3552 1 8 . 1 1 8 8 GLU H H 8 7.875 7.875 8.080 -0.205 25716 3553 1 8 . 1 1 9 9 LYS N N 9 119.639 119.639 120.291 -0.652 25716 3554 1 8 . 1 1 9 9 LYS HA H 9 4.072 4.072 4.187 -0.115 25716 3555 1 8 . 1 1 9 9 LYS C C 9 177.376 177.376 179.086 -1.710 25716 3556 1 8 . 1 1 9 9 LYS CA C 9 59.994 59.994 59.651 0.343 25716 3557 1 8 . 1 1 9 9 LYS CB C 9 32.471 32.471 32.620 -0.148 25716 3558 1 8 . 1 1 9 9 LYS H H 9 8.102 8.102 7.948 0.154 25716 3559 1 8 . 1 1 10 10 ILE N N 10 119.456 119.456 119.306 0.150 25716 3560 1 8 . 1 1 10 10 ILE HA H 10 3.713 3.713 3.743 -0.030 25716 3561 1 8 . 1 1 10 10 ILE C C 10 174.153 174.153 177.837 -3.684 25716 3562 1 8 . 1 1 10 10 ILE CA C 10 65.549 65.549 65.046 0.503 25716 3563 1 8 . 1 1 10 10 ILE CB C 10 37.522 37.522 37.935 -0.413 25716 3564 1 8 . 1 1 10 10 ILE H H 10 8.210 8.210 7.776 0.434 25716 3565 1 8 . 1 1 11 11 ARG N N 11 121.172 121.172 119.232 1.940 25716 3566 1 8 . 1 1 11 11 ARG HA H 11 3.608 3.608 3.938 -0.330 25716 3567 1 8 . 1 1 11 11 ARG C C 11 174.925 174.925 178.419 -3.494 25716 3568 1 8 . 1 1 11 11 ARG CA C 11 60.617 60.617 59.551 1.066 25716 3569 1 8 . 1 1 11 11 ARG CB C 11 30.480 30.480 29.654 0.826 25716 3570 1 8 . 1 1 11 11 ARG H H 11 8.851 8.851 8.311 0.540 25716 3571 1 8 . 1 1 12 12 ARG N N 12 116.578 116.578 120.240 -3.662 25716 3572 1 8 . 1 1 12 12 ARG HA H 12 3.935 3.935 4.109 -0.174 25716 3573 1 8 . 1 1 12 12 ARG C C 12 174.817 174.817 178.541 -3.724 25716 3574 1 8 . 1 1 12 12 ARG CA C 12 59.162 59.162 58.757 0.405 25716 3575 1 8 . 1 1 12 12 ARG CB C 12 29.476 29.476 29.607 -0.131 25716 3576 1 8 . 1 1 12 12 ARG H H 12 8.126 8.126 7.957 0.169 25716 3577 1 8 . 1 1 13 13 TYR N N 13 119.994 119.994 120.985 -0.991 25716 3578 1 8 . 1 1 13 13 TYR HA H 13 4.047 4.047 4.092 -0.045 25716 3579 1 8 . 1 1 13 13 TYR C C 13 175.273 175.273 177.739 -2.466 25716 3580 1 8 . 1 1 13 13 TYR CA C 13 61.856 61.856 60.902 0.954 25716 3581 1 8 . 1 1 13 13 TYR CB C 13 38.459 38.459 37.703 0.756 25716 3582 1 8 . 1 1 13 13 TYR H H 13 7.758 7.758 7.800 -0.042 25716 3583 1 8 . 1 1 14 14 ILE N N 14 117.754 117.754 120.082 -2.328 25716 3584 1 8 . 1 1 14 14 ILE HA H 14 3.239 3.239 3.386 -0.147 25716 3585 1 8 . 1 1 14 14 ILE C C 14 175.425 175.425 177.617 -2.192 25716 3586 1 8 . 1 1 14 14 ILE CA C 14 65.826 65.826 65.620 0.206 25716 3587 1 8 . 1 1 14 14 ILE CB C 14 37.782 37.782 37.695 0.087 25716 3588 1 8 . 1 1 14 14 ILE H H 14 8.464 8.464 7.913 0.551 25716 3589 1 8 . 1 1 15 15 MET N N 15 116.173 116.173 117.827 -1.654 25716 3590 1 8 . 1 1 15 15 MET HA H 15 3.939 3.939 3.986 -0.047 25716 3591 1 8 . 1 1 15 15 MET C C 15 174.676 174.676 178.414 -3.738 25716 3592 1 8 . 1 1 15 15 MET CA C 15 59.276 59.276 59.443 -0.167 25716 3593 1 8 . 1 1 15 15 MET CB C 15 32.885 32.885 32.273 0.612 25716 3594 1 8 . 1 1 15 15 MET H H 15 8.265 8.265 7.651 0.614 25716 3595 1 8 . 1 1 16 16 GLU N N 16 116.398 116.398 118.465 -2.067 25716 3596 1 8 . 1 1 16 16 GLU HA H 16 3.980 3.980 4.083 -0.103 25716 3597 1 8 . 1 1 16 16 GLU C C 16 175.158 175.158 178.942 -3.784 25716 3598 1 8 . 1 1 16 16 GLU CA C 16 58.767 58.767 59.002 -0.235 25716 3599 1 8 . 1 1 16 16 GLU CB C 16 30.078 30.078 29.473 0.605 25716 3600 1 8 . 1 1 16 16 GLU H H 16 8.619 8.619 7.916 0.703 25716 3601 1 8 . 1 1 17 17 ASP N N 17 116.973 116.973 119.277 -2.304 25716 3602 1 8 . 1 1 17 17 ASP HA H 17 4.591 4.591 4.406 0.185 25716 3603 1 8 . 1 1 17 17 ASP C C 17 174.240 174.240 178.209 -3.969 25716 3604 1 8 . 1 1 17 17 ASP CA C 17 55.438 55.438 55.928 -0.490 25716 3605 1 8 . 1 1 17 17 ASP CB C 17 42.657 42.657 40.670 1.987 25716 3606 1 8 . 1 1 17 17 ASP H H 17 8.119 8.119 7.760 0.359 25716 3607 1 8 . 1 1 18 18 LEU N N 18 115.667 115.667 119.607 -3.940 25716 3608 1 8 . 1 1 18 18 LEU HA H 18 4.488 4.488 4.013 0.474 25716 3609 1 8 . 1 1 18 18 LEU C C 18 175.062 175.062 177.939 -2.877 25716 3610 1 8 . 1 1 18 18 LEU CA C 18 56.075 56.075 57.203 -1.128 25716 3611 1 8 . 1 1 18 18 LEU CB C 18 41.096 41.096 42.116 -1.020 25716 3612 1 8 . 1 1 18 18 LEU H H 18 7.162 7.162 7.279 -0.117 25716 3613 1 8 . 1 1 19 19 ILE N N 19 120.763 120.763 115.036 5.727 25716 3614 1 8 . 1 1 19 19 ILE HA H 19 3.979 3.979 4.108 -0.129 25716 3615 1 8 . 1 1 19 19 ILE C C 19 174.557 174.557 176.768 -2.211 25716 3616 1 8 . 1 1 19 19 ILE CA C 19 63.809 63.809 61.933 1.876 25716 3617 1 8 . 1 1 19 19 ILE CB C 19 38.044 38.044 39.286 -1.242 25716 3618 1 8 . 1 1 19 19 ILE H H 19 8.017 8.017 7.942 0.075 25716 3619 1 8 . 1 1 20 20 GLY N N 20 108.619 108.619 106.904 1.715 25716 3620 1 8 . 1 1 20 20 GLY CA C 20 44.560 44.560 45.160 -0.600 25716 3621 1 8 . 1 1 20 20 GLY H H 20 8.126 8.126 7.780 0.346 25716 3622 1 8 . 1 1 21 21 PRO HA H 21 4.385 4.385 4.602 -0.217 25716 3623 1 8 . 1 1 21 21 PRO C C 21 174.855 174.855 177.726 -2.871 25716 3624 1 8 . 1 1 21 21 PRO CA C 21 64.406 64.406 63.538 0.869 25716 3625 1 8 . 1 1 21 21 PRO CB C 21 32.027 32.027 32.006 0.021 25716 3626 1 8 . 1 1 22 22 SER N N 22 114.165 114.165 116.767 -2.602 25716 3627 1 8 . 1 1 22 22 SER HA H 22 4.394 4.394 4.474 -0.080 25716 3628 1 8 . 1 1 22 22 SER C C 22 171.708 171.708 173.797 -2.089 25716 3629 1 8 . 1 1 22 22 SER CA C 22 58.871 58.871 57.930 0.941 25716 3630 1 8 . 1 1 22 22 SER CB C 22 63.473 63.473 61.700 1.773 25716 3631 1 8 . 1 1 22 22 SER H H 22 8.279 8.279 8.263 0.016 25716 3632 1 8 . 1 1 23 23 ALA N N 23 125.151 125.151 124.838 0.313 25716 3633 1 8 . 1 1 23 23 ALA HA H 23 4.250 4.250 4.586 -0.336 25716 3634 1 8 . 1 1 23 23 ALA C C 23 174.903 174.903 175.945 -1.042 25716 3635 1 8 . 1 1 23 23 ALA CA C 23 52.851 52.851 51.834 1.017 25716 3636 1 8 . 1 1 23 23 ALA CB C 23 19.376 19.376 19.820 -0.444 25716 3637 1 8 . 1 1 23 23 ALA H H 23 8.040 8.040 7.591 0.449 25716 3638 1 8 . 1 1 24 24 LYS N N 24 120.823 120.823 121.256 -0.433 25716 3639 1 8 . 1 1 24 24 LYS HA H 24 4.346 4.346 4.215 0.131 25716 3640 1 8 . 1 1 24 24 LYS C C 24 174.522 174.522 178.141 -3.619 25716 3641 1 8 . 1 1 24 24 LYS CA C 24 55.938 55.938 55.610 0.328 25716 3642 1 8 . 1 1 24 24 LYS CB C 24 33.187 33.187 33.298 -0.111 25716 3643 1 8 . 1 1 24 24 LYS H H 24 8.306 8.306 7.863 0.443 25716 3644 1 8 . 1 1 25 25 GLU N N 25 121.186 121.186 121.462 -0.276 25716 3645 1 8 . 1 1 25 25 GLU HA H 25 4.114 4.114 4.013 0.101 25716 3646 1 8 . 1 1 25 25 GLU C C 25 173.808 173.808 177.092 -3.284 25716 3647 1 8 . 1 1 25 25 GLU CA C 25 58.023 58.023 59.941 -1.918 25716 3648 1 8 . 1 1 25 25 GLU CB C 25 29.769 29.769 29.542 0.227 25716 3649 1 8 . 1 1 25 25 GLU H H 25 8.569 8.569 8.946 -0.377 25716 3650 1 8 . 1 1 26 26 ASP N N 26 117.111 117.111 113.679 3.432 25716 3651 1 8 . 1 1 26 26 ASP HA H 26 4.569 4.569 4.732 -0.163 25716 3652 1 8 . 1 1 26 26 ASP C C 26 173.265 173.265 176.051 -2.786 25716 3653 1 8 . 1 1 26 26 ASP CA C 26 54.061 54.061 53.681 0.380 25716 3654 1 8 . 1 1 26 26 ASP CB C 26 40.742 40.742 40.836 -0.094 25716 3655 1 8 . 1 1 26 26 ASP H H 26 8.139 8.139 8.179 -0.040 25716 3656 1 8 . 1 1 27 27 GLU N N 27 118.932 118.932 119.104 -0.172 25716 3657 1 8 . 1 1 27 27 GLU HA H 27 4.239 4.239 4.361 -0.122 25716 3658 1 8 . 1 1 27 27 GLU C C 27 172.838 172.838 176.638 -3.800 25716 3659 1 8 . 1 1 27 27 GLU CA C 27 56.645 56.645 57.568 -0.923 25716 3660 1 8 . 1 1 27 27 GLU CB C 27 30.703 30.703 30.574 0.129 25716 3661 1 8 . 1 1 27 27 GLU H H 27 7.859 7.859 8.041 -0.182 25716 3662 1 8 . 1 1 28 28 LEU N N 28 121.726 121.726 120.100 1.626 25716 3663 1 8 . 1 1 28 28 LEU HA H 28 4.570 4.570 4.339 0.231 25716 3664 1 8 . 1 1 28 28 LEU C C 28 172.438 172.438 175.853 -3.415 25716 3665 1 8 . 1 1 28 28 LEU CA C 28 54.503 54.503 53.566 0.937 25716 3666 1 8 . 1 1 28 28 LEU CB C 28 43.342 43.342 41.065 2.277 25716 3667 1 8 . 1 1 28 28 LEU H H 28 7.671 7.671 7.490 0.181 25716 3668 1 8 . 1 1 29 29 ASP N N 29 126.685 126.685 125.404 1.281 25716 3669 1 8 . 1 1 29 29 ASP HA H 29 4.822 4.822 4.699 0.123 25716 3670 1 8 . 1 1 29 29 ASP C C 29 173.732 173.732 175.874 -2.142 25716 3671 1 8 . 1 1 29 29 ASP CA C 29 52.855 52.855 53.613 -0.758 25716 3672 1 8 . 1 1 29 29 ASP CB C 29 43.124 43.124 42.769 0.355 25716 3673 1 8 . 1 1 29 29 ASP H H 29 8.950 8.950 8.311 0.639 25716 3674 1 8 . 1 1 30 30 ASP N N 30 120.317 120.317 118.442 1.875 25716 3675 1 8 . 1 1 30 30 ASP HA H 30 4.247 4.247 4.475 -0.228 25716 3676 1 8 . 1 1 30 30 ASP C C 30 172.143 172.143 176.471 -4.328 25716 3677 1 8 . 1 1 30 30 ASP CA C 30 57.352 57.352 56.194 1.158 25716 3678 1 8 . 1 1 30 30 ASP CB C 30 40.160 40.160 41.050 -0.890 25716 3679 1 8 . 1 1 30 30 ASP H H 30 8.500 8.500 8.533 -0.033 25716 3680 1 8 . 1 1 31 31 GLN N N 31 111.109 111.109 114.226 -3.117 25716 3681 1 8 . 1 1 31 31 GLN HA H 31 4.590 4.590 4.623 -0.033 25716 3682 1 8 . 1 1 31 31 GLN C C 31 174.343 174.343 175.217 -0.874 25716 3683 1 8 . 1 1 31 31 GLN CA C 31 54.437 54.437 54.932 -0.495 25716 3684 1 8 . 1 1 31 31 GLN CB C 31 30.038 30.038 30.191 -0.153 25716 3685 1 8 . 1 1 31 31 GLN H H 31 8.234 8.234 7.786 0.448 25716 3686 1 8 . 1 1 32 32 THR N N 32 123.333 123.333 118.222 5.111 25716 3687 1 8 . 1 1 32 32 THR HA H 32 3.856 3.856 4.055 -0.199 25716 3688 1 8 . 1 1 32 32 THR CA C 32 62.805 62.805 62.604 0.201 25716 3689 1 8 . 1 1 32 32 THR CB C 32 69.907 69.907 69.019 0.888 25716 3690 1 8 . 1 1 32 32 THR H H 32 7.663 7.663 7.213 0.450 25716 3691 1 8 . 1 1 33 33 PRO HA H 33 4.823 4.823 4.614 0.209 25716 3692 1 8 . 1 1 33 33 PRO C C 33 172.190 172.190 177.009 -4.819 25716 3693 1 8 . 1 1 33 33 PRO CA C 33 61.670 61.670 62.793 -1.123 25716 3694 1 8 . 1 1 33 33 PRO CB C 33 29.880 29.880 31.270 -1.390 25716 3695 1 8 . 1 1 34 34 LEU N N 34 126.562 126.562 123.590 2.972 25716 3696 1 8 . 1 1 34 34 LEU HA H 34 3.820 3.820 3.773 0.047 25716 3697 1 8 . 1 1 34 34 LEU C C 34 176.590 176.590 178.582 -1.992 25716 3698 1 8 . 1 1 34 34 LEU CA C 34 57.808 57.808 57.936 -0.128 25716 3699 1 8 . 1 1 34 34 LEU CB C 34 42.569 42.569 41.559 1.010 25716 3700 1 8 . 1 1 34 34 LEU H H 34 7.988 7.988 7.842 0.146 25716 3701 1 8 . 1 1 35 35 LEU N N 35 117.687 117.687 118.569 -0.882 25716 3702 1 8 . 1 1 35 35 LEU HA H 35 4.539 4.539 4.181 0.358 25716 3703 1 8 . 1 1 35 35 LEU C C 35 178.411 178.411 178.978 -0.567 25716 3704 1 8 . 1 1 35 35 LEU CA C 35 56.531 56.531 57.439 -0.908 25716 3705 1 8 . 1 1 35 35 LEU CB C 35 41.338 41.338 42.015 -0.677 25716 3706 1 8 . 1 1 35 35 LEU H H 35 8.184 8.184 7.702 0.482 25716 3707 1 8 . 1 1 36 36 GLU N N 36 121.488 121.488 119.224 2.264 25716 3708 1 8 . 1 1 36 36 GLU HA H 36 4.118 4.118 4.167 -0.049 25716 3709 1 8 . 1 1 36 36 GLU C C 36 175.984 175.984 178.393 -2.409 25716 3710 1 8 . 1 1 36 36 GLU CA C 36 59.264 59.264 58.782 0.482 25716 3711 1 8 . 1 1 36 36 GLU CB C 36 29.608 29.608 29.280 0.328 25716 3712 1 8 . 1 1 36 36 GLU H H 36 7.857 7.857 8.232 -0.375 25716 3713 1 8 . 1 1 37 37 TRP N N 37 115.319 115.319 118.861 -3.542 25716 3714 1 8 . 1 1 37 37 TRP HA H 37 4.950 4.950 4.604 0.346 25716 3715 1 8 . 1 1 37 37 TRP C C 37 174.270 174.270 177.591 -3.321 25716 3716 1 8 . 1 1 37 37 TRP CA C 37 56.075 56.075 58.777 -2.702 25716 3717 1 8 . 1 1 37 37 TRP CB C 37 29.050 29.050 29.502 -0.452 25716 3718 1 8 . 1 1 37 37 TRP H H 37 8.180 8.180 8.296 -0.116 25716 3719 1 8 . 1 1 38 38 GLY N N 38 106.793 106.793 107.135 -0.342 25716 3720 1 8 . 1 1 38 38 GLY C C 38 171.784 171.784 175.719 -3.935 25716 3721 1 8 . 1 1 38 38 GLY CA C 38 46.275 46.275 45.898 0.377 25716 3722 1 8 . 1 1 38 38 GLY H H 38 7.704 7.704 7.767 -0.063 25716 3723 1 8 . 1 1 39 39 ILE N N 39 120.597 120.597 114.743 5.854 25716 3724 1 8 . 1 1 39 39 ILE HA H 39 3.753 3.753 4.105 -0.352 25716 3725 1 8 . 1 1 39 39 ILE C C 39 174.148 174.148 175.253 -1.105 25716 3726 1 8 . 1 1 39 39 ILE CA C 39 63.934 63.934 62.458 1.476 25716 3727 1 8 . 1 1 39 39 ILE CB C 39 38.673 38.673 38.218 0.455 25716 3728 1 8 . 1 1 39 39 ILE H H 39 7.697 7.697 7.464 0.233 25716 3729 1 8 . 1 1 40 40 LEU N N 40 115.102 115.102 121.633 -6.531 25716 3730 1 8 . 1 1 40 40 LEU HA H 40 4.934 4.934 4.526 0.408 25716 3731 1 8 . 1 1 40 40 LEU C C 40 172.286 172.286 175.064 -2.778 25716 3732 1 8 . 1 1 40 40 LEU CA C 40 52.249 52.249 53.709 -1.460 25716 3733 1 8 . 1 1 40 40 LEU CB C 40 43.454 43.454 41.392 2.062 25716 3734 1 8 . 1 1 40 40 LEU H H 40 7.307 7.307 7.479 -0.172 25716 3735 1 8 . 1 1 41 41 ASN N N 41 117.306 117.306 122.007 -4.701 25716 3736 1 8 . 1 1 41 41 ASN HA H 41 4.589 4.589 4.837 -0.248 25716 3737 1 8 . 1 1 41 41 ASN C C 41 171.807 171.807 175.576 -3.769 25716 3738 1 8 . 1 1 41 41 ASN CA C 41 52.017 52.017 52.288 -0.271 25716 3739 1 8 . 1 1 41 41 ASN CB C 41 39.872 39.872 42.414 -2.542 25716 3740 1 8 . 1 1 41 41 ASN H H 41 8.466 8.466 8.226 0.240 25716 3741 1 8 . 1 1 42 42 SER N N 42 113.236 113.236 117.278 -4.042 25716 3742 1 8 . 1 1 42 42 SER HA H 42 4.116 4.116 4.144 -0.028 25716 3743 1 8 . 1 1 42 42 SER C C 42 171.631 171.631 176.584 -4.953 25716 3744 1 8 . 1 1 42 42 SER CA C 42 60.951 60.951 62.026 -1.075 25716 3745 1 8 . 1 1 42 42 SER CB C 42 65.868 65.868 62.856 3.012 25716 3746 1 8 . 1 1 42 42 SER H H 42 9.138 9.138 8.754 0.384 25716 3747 1 8 . 1 1 43 43 MET N N 43 118.797 118.797 118.781 0.016 25716 3748 1 8 . 1 1 43 43 MET HA H 43 4.467 4.467 4.307 0.160 25716 3749 1 8 . 1 1 43 43 MET CA C 43 57.429 57.429 57.356 0.073 25716 3750 1 8 . 1 1 43 43 MET CB C 43 32.494 32.494 32.547 -0.053 25716 3751 1 8 . 1 1 43 43 MET H H 43 8.292 8.292 7.752 0.540 25716 3752 1 8 . 1 1 44 44 ASN N N 44 117.701 117.701 116.250 1.451 25716 3753 1 8 . 1 1 44 44 ASN HA H 44 4.686 4.686 4.640 0.046 25716 3754 1 8 . 1 1 44 44 ASN C C 44 175.889 175.889 177.319 -1.430 25716 3755 1 8 . 1 1 44 44 ASN CA C 44 53.826 53.826 54.893 -1.067 25716 3756 1 8 . 1 1 44 44 ASN CB C 44 38.484 38.484 38.698 -0.214 25716 3757 1 8 . 1 1 44 44 ASN H H 44 8.299 8.299 7.801 0.498 25716 3758 1 8 . 1 1 45 45 ILE N N 45 122.124 122.124 121.347 0.777 25716 3759 1 8 . 1 1 45 45 ILE HA H 45 3.783 3.783 3.917 -0.134 25716 3760 1 8 . 1 1 45 45 ILE C C 45 174.370 174.370 176.787 -2.417 25716 3761 1 8 . 1 1 45 45 ILE CA C 45 64.892 64.892 64.402 0.490 25716 3762 1 8 . 1 1 45 45 ILE CB C 45 37.778 37.778 38.051 -0.273 25716 3763 1 8 . 1 1 45 45 ILE H H 45 8.417 8.417 8.168 0.249 25716 3764 1 8 . 1 1 46 46 VAL N N 46 120.176 120.176 115.287 4.889 25716 3765 1 8 . 1 1 46 46 VAL HA H 46 3.714 3.714 3.849 -0.135 25716 3766 1 8 . 1 1 46 46 VAL C C 46 175.129 175.129 177.126 -1.997 25716 3767 1 8 . 1 1 46 46 VAL CA C 46 66.227 66.227 65.287 0.940 25716 3768 1 8 . 1 1 46 46 VAL CB C 46 31.294 31.294 31.104 0.190 25716 3769 1 8 . 1 1 46 46 VAL H H 46 7.394 7.394 7.778 -0.384 25716 3770 1 8 . 1 1 47 47 LYS N N 47 118.640 118.640 119.825 -1.185 25716 3771 1 8 . 1 1 47 47 LYS HA H 47 4.005 4.005 4.204 -0.199 25716 3772 1 8 . 1 1 47 47 LYS CA C 47 60.033 60.033 58.691 1.342 25716 3773 1 8 . 1 1 47 47 LYS CB C 47 32.093 32.093 31.448 0.645 25716 3774 1 8 . 1 1 47 47 LYS H H 47 7.221 7.221 7.923 -0.702 25716 3775 1 8 . 1 1 48 48 LEU N N 48 119.812 119.812 120.284 -0.472 25716 3776 1 8 . 1 1 48 48 LEU HA H 48 4.261 4.261 4.210 0.051 25716 3777 1 8 . 1 1 48 48 LEU C C 48 175.105 175.105 178.819 -3.714 25716 3778 1 8 . 1 1 48 48 LEU CA C 48 57.717 57.717 57.768 -0.051 25716 3779 1 8 . 1 1 48 48 LEU CB C 48 41.683 41.683 41.885 -0.202 25716 3780 1 8 . 1 1 48 48 LEU H H 48 7.812 7.812 7.454 0.358 25716 3781 1 8 . 1 1 49 49 MET N N 49 118.031 118.031 117.885 0.146 25716 3782 1 8 . 1 1 49 49 MET HA H 49 3.919 3.919 4.105 -0.186 25716 3783 1 8 . 1 1 49 49 MET C C 49 176.673 176.673 178.972 -2.299 25716 3784 1 8 . 1 1 49 49 MET CA C 49 60.304 60.304 59.484 0.820 25716 3785 1 8 . 1 1 49 49 MET CB C 49 33.071 33.071 32.397 0.674 25716 3786 1 8 . 1 1 49 49 MET H H 49 8.583 8.583 7.798 0.785 25716 3787 1 8 . 1 1 50 50 VAL N N 50 122.370 122.370 115.620 6.750 25716 3788 1 8 . 1 1 50 50 VAL HA H 50 3.497 3.497 3.821 -0.324 25716 3789 1 8 . 1 1 50 50 VAL C C 50 173.639 173.639 177.122 -3.483 25716 3790 1 8 . 1 1 50 50 VAL CA C 50 67.182 67.182 65.878 1.304 25716 3791 1 8 . 1 1 50 50 VAL CB C 50 31.551 31.551 30.993 0.558 25716 3792 1 8 . 1 1 50 50 VAL H H 50 8.246 8.246 7.879 0.367 25716 3793 1 8 . 1 1 51 51 TYR N N 51 121.444 121.444 121.507 -0.063 25716 3794 1 8 . 1 1 51 51 TYR HA H 51 4.110 4.110 3.969 0.141 25716 3795 1 8 . 1 1 51 51 TYR C C 51 174.688 174.688 177.034 -2.346 25716 3796 1 8 . 1 1 51 51 TYR CA C 51 61.795 61.795 61.626 0.169 25716 3797 1 8 . 1 1 51 51 TYR CB C 51 38.036 38.036 38.272 -0.235 25716 3798 1 8 . 1 1 51 51 TYR H H 51 7.774 7.774 7.213 0.561 25716 3799 1 8 . 1 1 52 52 ILE N N 52 118.347 118.347 119.267 -0.920 25716 3800 1 8 . 1 1 52 52 ILE HA H 52 3.283 3.283 3.632 -0.349 25716 3801 1 8 . 1 1 52 52 ILE C C 52 175.421 175.421 178.318 -2.897 25716 3802 1 8 . 1 1 52 52 ILE CA C 52 65.477 65.477 64.210 1.267 25716 3803 1 8 . 1 1 52 52 ILE CB C 52 38.703 38.703 37.529 1.174 25716 3804 1 8 . 1 1 52 52 ILE H H 52 8.388 8.388 8.457 -0.069 25716 3805 1 8 . 1 1 53 53 ARG N N 53 121.323 121.323 119.441 1.882 25716 3806 1 8 . 1 1 53 53 ARG HA H 53 3.920 3.920 4.013 -0.093 25716 3807 1 8 . 1 1 53 53 ARG C C 53 176.463 176.463 177.835 -1.372 25716 3808 1 8 . 1 1 53 53 ARG CA C 53 59.458 59.458 59.501 -0.043 25716 3809 1 8 . 1 1 53 53 ARG CB C 53 30.296 30.296 30.007 0.289 25716 3810 1 8 . 1 1 53 53 ARG H H 53 7.831 7.831 7.788 0.043 25716 3811 1 8 . 1 1 54 54 ASP N N 54 119.945 119.945 118.637 1.308 25716 3812 1 8 . 1 1 54 54 ASP HA H 54 4.319 4.319 4.468 -0.149 25716 3813 1 8 . 1 1 54 54 ASP C C 54 175.314 175.314 177.622 -2.308 25716 3814 1 8 . 1 1 54 54 ASP CA C 54 57.126 57.126 56.279 0.847 25716 3815 1 8 . 1 1 54 54 ASP CB C 54 40.074 40.074 41.166 -1.092 25716 3816 1 8 . 1 1 54 54 ASP H H 54 8.760 8.760 7.536 1.224 25716 3817 1 8 . 1 1 55 55 GLU N N 55 117.530 117.530 118.712 -1.182 25716 3818 1 8 . 1 1 55 55 GLU HA H 55 4.239 4.239 3.919 0.320 25716 3819 1 8 . 1 1 55 55 GLU C C 55 175.224 175.224 178.256 -3.032 25716 3820 1 8 . 1 1 55 55 GLU CA C 55 56.852 56.852 58.180 -1.328 25716 3821 1 8 . 1 1 55 55 GLU CB C 55 29.329 29.329 29.541 -0.211 25716 3822 1 8 . 1 1 55 55 GLU H H 55 8.701 8.701 7.969 0.732 25716 3823 1 8 . 1 1 56 56 MET N N 56 113.874 113.874 116.177 -2.303 25716 3824 1 8 . 1 1 56 56 MET HA H 56 4.566 4.566 4.375 0.191 25716 3825 1 8 . 1 1 56 56 MET C C 56 173.968 173.968 177.208 -3.240 25716 3826 1 8 . 1 1 56 56 MET CA C 56 55.539 55.539 55.737 -0.198 25716 3827 1 8 . 1 1 56 56 MET CB C 56 34.094 34.094 33.654 0.440 25716 3828 1 8 . 1 1 56 56 MET H H 56 7.464 7.464 7.666 -0.202 25716 3829 1 8 . 1 1 57 57 GLY N N 57 107.900 107.900 107.360 0.540 25716 3830 1 8 . 1 1 57 57 GLY C C 57 171.496 171.496 173.971 -2.475 25716 3831 1 8 . 1 1 57 57 GLY CA C 57 46.561 46.561 45.337 1.224 25716 3832 1 8 . 1 1 57 57 GLY H H 57 7.291 7.291 7.984 -0.693 25716 3833 1 8 . 1 1 58 58 VAL N N 58 117.126 117.126 121.056 -3.930 25716 3834 1 8 . 1 1 58 58 VAL HA H 58 4.283 4.283 4.287 -0.004 25716 3835 1 8 . 1 1 58 58 VAL C C 58 171.116 171.116 174.913 -3.797 25716 3836 1 8 . 1 1 58 58 VAL CA C 58 60.487 60.487 60.537 -0.050 25716 3837 1 8 . 1 1 58 58 VAL CB C 58 34.837 34.837 33.691 1.146 25716 3838 1 8 . 1 1 58 58 VAL H H 58 6.970 6.970 7.474 -0.504 25716 3839 1 8 . 1 1 59 59 SER N N 59 122.188 122.188 122.215 -0.027 25716 3840 1 8 . 1 1 59 59 SER HA H 59 4.432 4.432 4.508 -0.076 25716 3841 1 8 . 1 1 59 59 SER C C 59 170.766 170.766 174.118 -3.352 25716 3842 1 8 . 1 1 59 59 SER CA C 59 56.563 56.563 57.373 -0.810 25716 3843 1 8 . 1 1 59 59 SER CB C 59 63.106 63.106 64.005 -0.899 25716 3844 1 8 . 1 1 59 59 SER H H 59 8.609 8.609 8.419 0.190 25716 3845 1 8 . 1 1 60 60 ILE N N 60 128.230 128.230 127.036 1.194 25716 3846 1 8 . 1 1 60 60 ILE HA H 60 4.033 4.033 4.399 -0.366 25716 3847 1 8 . 1 1 60 60 ILE CA C 60 58.127 58.127 57.960 0.167 25716 3848 1 8 . 1 1 60 60 ILE CB C 60 38.217 38.217 37.496 0.721 25716 3849 1 8 . 1 1 60 60 ILE H H 60 8.257 8.257 8.316 -0.059 25716 3850 1 8 . 1 1 61 61 PRO HA H 61 4.501 4.501 4.731 -0.230 25716 3851 1 8 . 1 1 61 61 PRO CA C 61 62.352 62.352 62.282 0.070 25716 3852 1 8 . 1 1 61 61 PRO CB C 61 32.469 32.469 32.895 -0.426 25716 3853 1 8 . 1 1 62 62 SER HA H 62 4.058 4.058 4.213 -0.155 25716 3854 1 8 . 1 1 62 62 SER C C 62 173.269 173.269 176.232 -2.963 25716 3855 1 8 . 1 1 62 62 SER CA C 62 61.511 61.511 61.025 0.486 25716 3856 1 8 . 1 1 62 62 SER CB C 62 62.646 62.646 62.616 0.030 25716 3857 1 8 . 1 1 63 63 THR N N 63 110.178 110.178 116.108 -5.930 25716 3858 1 8 . 1 1 63 63 THR HA H 63 4.066 4.066 4.249 -0.183 25716 3859 1 8 . 1 1 63 63 THR C C 63 172.917 172.917 175.307 -2.390 25716 3860 1 8 . 1 1 63 63 THR CA C 63 63.007 63.007 64.233 -1.226 25716 3861 1 8 . 1 1 63 63 THR CB C 63 69.323 69.323 68.627 0.696 25716 3862 1 8 . 1 1 63 63 THR H H 63 7.307 7.307 8.369 -1.062 25716 3863 1 8 . 1 1 64 64 HIS N N 64 121.862 121.862 118.269 3.593 25716 3864 1 8 . 1 1 64 64 HIS HA H 64 4.495 4.495 4.717 -0.222 25716 3865 1 8 . 1 1 64 64 HIS C C 64 171.495 171.495 174.748 -3.253 25716 3866 1 8 . 1 1 64 64 HIS CA C 64 56.203 56.203 56.536 -0.333 25716 3867 1 8 . 1 1 64 64 HIS CB C 64 29.814 29.814 30.948 -1.134 25716 3868 1 8 . 1 1 64 64 HIS H H 64 8.132 8.132 7.648 0.484 25716 3869 1 8 . 1 1 65 65 ILE N N 65 118.536 118.536 121.347 -2.811 25716 3870 1 8 . 1 1 65 65 ILE HA H 65 4.165 4.165 4.282 -0.117 25716 3871 1 8 . 1 1 65 65 ILE C C 65 172.049 172.049 175.599 -3.550 25716 3872 1 8 . 1 1 65 65 ILE CA C 65 60.576 60.576 60.905 -0.329 25716 3873 1 8 . 1 1 65 65 ILE CB C 65 35.561 35.561 36.702 -1.141 25716 3874 1 8 . 1 1 65 65 ILE H H 65 7.223 7.223 7.386 -0.163 25716 3875 1 8 . 1 1 66 66 THR N N 66 114.529 114.529 121.601 -7.072 25716 3876 1 8 . 1 1 66 66 THR HA H 66 4.635 4.635 4.497 0.138 25716 3877 1 8 . 1 1 66 66 THR C C 66 172.176 172.176 175.376 -3.200 25716 3878 1 8 . 1 1 66 66 THR CA C 66 59.827 59.827 60.794 -0.967 25716 3879 1 8 . 1 1 66 66 THR CB C 66 70.679 70.679 71.787 -1.108 25716 3880 1 8 . 1 1 66 66 THR H H 66 7.943 7.943 8.272 -0.329 25716 3881 1 8 . 1 1 67 67 GLY N N 67 109.454 109.454 110.427 -0.973 25716 3882 1 8 . 1 1 67 67 GLY C C 67 172.080 172.080 174.664 -2.584 25716 3883 1 8 . 1 1 67 67 GLY CA C 67 47.245 47.245 45.937 1.308 25716 3884 1 8 . 1 1 67 67 GLY H H 67 8.736 8.736 8.798 -0.062 25716 3885 1 8 . 1 1 68 68 LYS N N 68 118.551 118.551 119.790 -1.239 25716 3886 1 8 . 1 1 68 68 LYS HA H 68 3.851 3.851 4.074 -0.223 25716 3887 1 8 . 1 1 68 68 LYS C C 68 174.455 174.455 178.303 -3.848 25716 3888 1 8 . 1 1 68 68 LYS CA C 68 58.697 58.697 58.642 0.055 25716 3889 1 8 . 1 1 68 68 LYS CB C 68 32.350 32.350 32.341 0.009 25716 3890 1 8 . 1 1 68 68 LYS H H 68 7.968 7.968 7.341 0.627 25716 3891 1 8 . 1 1 69 69 TYR N N 69 115.203 115.203 116.836 -1.633 25716 3892 1 8 . 1 1 69 69 TYR HA H 69 4.213 4.213 4.499 -0.286 25716 3893 1 8 . 1 1 69 69 TYR C C 69 171.772 171.772 178.061 -6.289 25716 3894 1 8 . 1 1 69 69 TYR CA C 69 59.212 59.212 58.058 1.154 25716 3895 1 8 . 1 1 69 69 TYR CB C 69 38.555 38.555 39.044 -0.489 25716 3896 1 8 . 1 1 69 69 TYR H H 69 6.826 6.826 7.436 -0.610 25716 3897 1 8 . 1 1 70 70 PHE N N 70 112.140 112.140 114.406 -2.266 25716 3898 1 8 . 1 1 70 70 PHE HA H 70 4.629 4.629 4.622 0.007 25716 3899 1 8 . 1 1 70 70 PHE C C 70 171.998 171.998 176.327 -4.329 25716 3900 1 8 . 1 1 70 70 PHE CA C 70 57.245 57.245 58.724 -1.479 25716 3901 1 8 . 1 1 70 70 PHE CB C 70 40.329 40.329 38.175 2.154 25716 3902 1 8 . 1 1 70 70 PHE H H 70 7.327 7.327 8.076 -0.749 25716 3903 1 8 . 1 1 71 71 LYS N N 71 113.603 113.603 120.684 -7.081 25716 3904 1 8 . 1 1 71 71 LYS HA H 71 3.875 3.875 4.133 -0.258 25716 3905 1 8 . 1 1 71 71 LYS C C 71 172.963 172.963 176.362 -3.399 25716 3906 1 8 . 1 1 71 71 LYS CA C 71 59.667 59.667 58.816 0.850 25716 3907 1 8 . 1 1 71 71 LYS CB C 71 33.074 33.074 33.201 -0.127 25716 3908 1 8 . 1 1 71 71 LYS H H 71 6.925 6.925 7.741 -0.816 25716 3909 1 8 . 1 1 72 72 ASP N N 72 110.434 110.434 113.398 -2.964 25716 3910 1 8 . 1 1 72 72 ASP HA H 72 4.441 4.441 4.832 -0.391 25716 3911 1 8 . 1 1 72 72 ASP C C 72 172.750 172.750 175.313 -2.563 25716 3912 1 8 . 1 1 72 72 ASP CA C 72 52.378 52.378 52.630 -0.252 25716 3913 1 8 . 1 1 72 72 ASP CB C 72 42.426 42.426 43.488 -1.062 25716 3914 1 8 . 1 1 72 72 ASP H H 72 7.363 7.363 7.493 -0.130 25716 3915 1 8 . 1 1 73 73 LEU N N 73 120.273 120.273 119.442 0.831 25716 3916 1 8 . 1 1 73 73 LEU HA H 73 3.920 3.920 4.079 -0.159 25716 3917 1 8 . 1 1 73 73 LEU C C 73 176.648 176.648 177.968 -1.320 25716 3918 1 8 . 1 1 73 73 LEU CA C 73 58.120 58.120 56.883 1.237 25716 3919 1 8 . 1 1 73 73 LEU CB C 73 42.574 42.574 42.519 0.055 25716 3920 1 8 . 1 1 73 73 LEU H H 73 9.983 9.983 8.587 1.396 25716 3921 1 8 . 1 1 74 74 ASN N N 74 119.506 119.506 118.459 1.047 25716 3922 1 8 . 1 1 74 74 ASN HA H 74 4.405 4.405 4.241 0.164 25716 3923 1 8 . 1 1 74 74 ASN C C 74 174.659 174.659 177.308 -2.649 25716 3924 1 8 . 1 1 74 74 ASN CA C 74 56.287 56.287 56.933 -0.646 25716 3925 1 8 . 1 1 74 74 ASN CB C 74 37.579 37.579 37.880 -0.301 25716 3926 1 8 . 1 1 74 74 ASN H H 74 7.893 7.893 8.209 -0.316 25716 3927 1 8 . 1 1 75 75 ALA N N 75 125.068 125.068 122.560 2.508 25716 3928 1 8 . 1 1 75 75 ALA HA H 75 4.097 4.097 4.218 -0.121 25716 3929 1 8 . 1 1 75 75 ALA C C 75 177.809 177.809 179.792 -1.983 25716 3930 1 8 . 1 1 75 75 ALA CA C 75 55.365 55.365 54.474 0.891 25716 3931 1 8 . 1 1 75 75 ALA CB C 75 18.572 18.572 18.265 0.307 25716 3932 1 8 . 1 1 75 75 ALA H H 75 8.951 8.951 8.240 0.711 25716 3933 1 8 . 1 1 76 76 ILE N N 76 119.561 119.561 118.818 0.743 25716 3934 1 8 . 1 1 76 76 ILE HA H 76 3.615 3.615 3.218 0.397 25716 3935 1 8 . 1 1 76 76 ILE C C 76 175.344 175.344 177.535 -2.191 25716 3936 1 8 . 1 1 76 76 ILE CA C 76 65.272 65.272 64.920 0.352 25716 3937 1 8 . 1 1 76 76 ILE CB C 76 39.056 39.056 37.712 1.344 25716 3938 1 8 . 1 1 76 76 ILE H H 76 8.386 8.386 7.812 0.574 25716 3939 1 8 . 1 1 77 77 SER N N 77 114.090 114.090 115.197 -1.107 25716 3940 1 8 . 1 1 77 77 SER HA H 77 3.878 3.878 4.163 -0.285 25716 3941 1 8 . 1 1 77 77 SER C C 77 173.592 173.592 176.123 -2.531 25716 3942 1 8 . 1 1 77 77 SER CA C 77 62.733 62.733 61.891 0.843 25716 3943 1 8 . 1 1 77 77 SER CB C 77 62.864 62.864 62.768 0.096 25716 3944 1 8 . 1 1 77 77 SER H H 77 8.250 8.250 8.215 0.035 25716 3945 1 8 . 1 1 78 78 ARG N N 78 121.670 121.670 120.200 1.470 25716 3946 1 8 . 1 1 78 78 ARG HA H 78 4.129 4.129 4.054 0.075 25716 3947 1 8 . 1 1 78 78 ARG C C 78 176.111 176.111 178.231 -2.120 25716 3948 1 8 . 1 1 78 78 ARG CA C 78 59.328 59.328 59.384 -0.056 25716 3949 1 8 . 1 1 78 78 ARG CB C 78 29.814 29.814 29.456 0.358 25716 3950 1 8 . 1 1 78 78 ARG H H 78 8.086 8.086 7.953 0.133 25716 3951 1 8 . 1 1 79 79 THR N N 79 118.928 118.928 114.300 4.628 25716 3952 1 8 . 1 1 79 79 THR HA H 79 4.525 4.525 3.910 0.615 25716 3953 1 8 . 1 1 79 79 THR C C 79 173.364 173.364 176.188 -2.824 25716 3954 1 8 . 1 1 79 79 THR CA C 79 68.289 68.289 65.137 3.152 25716 3955 1 8 . 1 1 79 79 THR CB C 79 67.268 67.268 67.929 -0.661 25716 3956 1 8 . 1 1 79 79 THR H H 79 8.351 8.351 7.263 1.088 25716 3957 1 8 . 1 1 80 80 VAL N N 80 120.643 120.643 122.024 -1.381 25716 3958 1 8 . 1 1 80 80 VAL HA H 80 3.339 3.339 3.426 -0.087 25716 3959 1 8 . 1 1 80 80 VAL C C 80 174.438 174.438 177.616 -3.178 25716 3960 1 8 . 1 1 80 80 VAL CA C 80 67.603 67.603 66.901 0.702 25716 3961 1 8 . 1 1 80 80 VAL CB C 80 31.532 31.532 31.656 -0.124 25716 3962 1 8 . 1 1 80 80 VAL H H 80 8.242 8.242 7.744 0.498 25716 3963 1 8 . 1 1 81 81 GLU N N 81 118.067 118.067 118.434 -0.367 25716 3964 1 8 . 1 1 81 81 GLU HA H 81 3.943 3.943 3.894 0.049 25716 3965 1 8 . 1 1 81 81 GLU C C 81 176.961 176.961 178.953 -1.992 25716 3966 1 8 . 1 1 81 81 GLU CA C 81 59.974 59.974 59.326 0.648 25716 3967 1 8 . 1 1 81 81 GLU CB C 81 29.817 29.817 29.186 0.631 25716 3968 1 8 . 1 1 81 81 GLU H H 81 8.296 8.296 8.117 0.179 25716 3969 1 8 . 1 1 82 82 GLN N N 82 119.947 119.947 120.086 -0.139 25716 3970 1 8 . 1 1 82 82 GLN HA H 82 4.110 4.110 4.081 0.029 25716 3971 1 8 . 1 1 82 82 GLN C C 82 176.023 176.023 178.221 -2.198 25716 3972 1 8 . 1 1 82 82 GLN CA C 82 58.991 58.991 58.277 0.714 25716 3973 1 8 . 1 1 82 82 GLN CB C 82 28.136 28.136 28.214 -0.078 25716 3974 1 8 . 1 1 82 82 GLN H H 82 8.444 8.444 7.475 0.969 25716 3975 1 8 . 1 1 83 83 LEU N N 83 119.916 119.916 119.695 0.221 25716 3976 1 8 . 1 1 83 83 LEU HA H 83 4.075 4.075 4.067 0.008 25716 3977 1 8 . 1 1 83 83 LEU C C 83 177.753 177.753 179.381 -1.628 25716 3978 1 8 . 1 1 83 83 LEU CA C 83 57.453 57.453 57.284 0.169 25716 3979 1 8 . 1 1 83 83 LEU CB C 83 41.673 41.673 41.388 0.285 25716 3980 1 8 . 1 1 83 83 LEU H H 83 8.149 8.149 8.309 -0.160 25716 3981 1 8 . 1 1 84 84 LYS N N 84 121.059 121.059 119.890 1.169 25716 3982 1 8 . 1 1 84 84 LYS HA H 84 3.951 3.951 4.004 -0.053 25716 3983 1 8 . 1 1 84 84 LYS C C 84 176.055 176.055 178.640 -2.585 25716 3984 1 8 . 1 1 84 84 LYS CA C 84 59.328 59.328 59.398 -0.070 25716 3985 1 8 . 1 1 84 84 LYS CB C 84 32.291 32.291 32.316 -0.025 25716 3986 1 8 . 1 1 84 84 LYS H H 84 8.373 8.373 7.903 0.470 25716 3987 1 8 . 1 1 85 85 ALA N N 85 122.134 122.134 121.751 0.383 25716 3988 1 8 . 1 1 85 85 ALA HA H 85 4.188 4.188 4.158 0.030 25716 3989 1 8 . 1 1 85 85 ALA C C 85 177.240 177.240 179.761 -2.521 25716 3990 1 8 . 1 1 85 85 ALA CA C 85 54.423 54.423 54.776 -0.353 25716 3991 1 8 . 1 1 85 85 ALA CB C 85 18.193 18.193 18.311 -0.118 25716 3992 1 8 . 1 1 85 85 ALA H H 85 7.854 7.854 7.358 0.496 25716 3993 1 8 . 1 1 86 86 GLU N N 86 117.813 117.813 118.009 -0.196 25716 3994 1 8 . 1 1 86 86 GLU HA H 86 4.115 4.115 4.071 0.044 25716 3995 1 8 . 1 1 86 86 GLU C C 86 175.547 175.547 179.029 -3.482 25716 3996 1 8 . 1 1 86 86 GLU CA C 86 58.199 58.199 58.891 -0.692 25716 3997 1 8 . 1 1 86 86 GLU CB C 86 29.841 29.841 29.646 0.195 25716 3998 1 8 . 1 1 86 86 GLU H H 86 8.059 8.059 8.244 -0.185 25716 3999 1 8 . 1 1 87 87 SER N N 87 114.771 114.771 113.377 1.394 25716 4000 1 8 . 1 1 87 87 SER HA H 87 4.362 4.362 4.295 0.067 25716 4001 1 8 . 1 1 87 87 SER C C 87 172.405 172.405 176.067 -3.662 25716 4002 1 8 . 1 1 87 87 SER CA C 87 59.806 59.806 60.916 -1.110 25716 4003 1 8 . 1 1 87 87 SER CB C 87 63.528 63.528 63.750 -0.222 25716 4004 1 8 . 1 1 87 87 SER H H 87 7.908 7.908 8.148 -0.240 25716 4005 1 8 . 1 1 88 88 ALA N N 88 124.277 124.277 125.471 -1.194 25716 4006 1 8 . 1 1 88 88 ALA HA H 88 4.284 4.284 4.240 0.044 25716 4007 1 8 . 1 1 88 88 ALA C C 88 175.489 175.489 178.458 -2.969 25716 4008 1 8 . 1 1 88 88 ALA CA C 88 53.087 53.087 54.483 -1.396 25716 4009 1 8 . 1 1 88 88 ALA CB C 88 18.792 18.792 18.646 0.145 25716 4010 1 8 . 1 1 88 88 ALA H H 88 7.812 7.812 7.606 0.206 25716 4011 1 8 . 1 1 89 89 LEU N N 89 119.411 119.411 117.934 1.477 25716 4012 1 8 . 1 1 89 89 LEU HA H 89 4.219 4.219 4.379 -0.160 25716 4013 1 8 . 1 1 89 89 LEU C C 89 175.025 175.025 176.416 -1.391 25716 4014 1 8 . 1 1 89 89 LEU CA C 89 55.608 55.608 55.152 0.456 25716 4015 1 8 . 1 1 89 89 LEU CB C 89 42.213 42.213 41.751 0.462 25716 4016 1 8 . 1 1 89 89 LEU H H 89 7.769 7.769 7.538 0.231 25716 4017 1 9 . 1 1 2 2 ASP HA H 2 4.704 4.704 4.958 -0.254 25716 4018 1 9 . 1 1 2 2 ASP C C 2 173.822 173.822 176.737 -2.915 25716 4019 1 9 . 1 1 2 2 ASP CA C 2 54.130 54.130 54.685 -0.555 25716 4020 1 9 . 1 1 2 2 ASP CB C 2 41.601 41.601 42.823 -1.222 25716 4021 1 9 . 1 1 3 3 GLY N N 3 109.376 109.376 110.836 -1.460 25716 4022 1 9 . 1 1 3 3 GLY C C 3 172.786 172.786 175.931 -3.145 25716 4023 1 9 . 1 1 3 3 GLY CA C 3 46.704 46.704 47.344 -0.640 25716 4024 1 9 . 1 1 3 3 GLY H H 3 8.712 8.712 8.820 -0.108 25716 4025 1 9 . 1 1 4 4 GLU N N 4 120.623 120.623 119.967 0.656 25716 4026 1 9 . 1 1 4 4 GLU HA H 4 4.207 4.207 4.016 0.191 25716 4027 1 9 . 1 1 4 4 GLU C C 4 175.198 175.198 179.097 -3.899 25716 4028 1 9 . 1 1 4 4 GLU CA C 4 58.159 58.159 59.176 -1.017 25716 4029 1 9 . 1 1 4 4 GLU CB C 4 29.793 29.793 28.802 0.991 25716 4030 1 9 . 1 1 4 4 GLU H H 4 8.280 8.280 8.813 -0.533 25716 4031 1 9 . 1 1 5 5 GLU N N 5 121.684 121.684 120.481 1.203 25716 4032 1 9 . 1 1 5 5 GLU HA H 5 4.173 4.173 4.239 -0.066 25716 4033 1 9 . 1 1 5 5 GLU C C 5 175.720 175.720 178.935 -3.215 25716 4034 1 9 . 1 1 5 5 GLU CA C 5 58.648 58.648 59.306 -0.658 25716 4035 1 9 . 1 1 5 5 GLU CB C 5 29.819 29.819 29.376 0.443 25716 4036 1 9 . 1 1 5 5 GLU H H 5 8.254 8.254 7.705 0.549 25716 4037 1 9 . 1 1 6 6 VAL N N 6 120.195 120.195 119.678 0.517 25716 4038 1 9 . 1 1 6 6 VAL HA H 6 3.594 3.594 3.584 0.010 25716 4039 1 9 . 1 1 6 6 VAL C C 6 174.638 174.638 178.069 -3.431 25716 4040 1 9 . 1 1 6 6 VAL CA C 6 66.621 66.621 67.138 -0.517 25716 4041 1 9 . 1 1 6 6 VAL CB C 6 32.041 32.041 31.432 0.609 25716 4042 1 9 . 1 1 6 6 VAL H H 6 8.137 8.137 8.198 -0.061 25716 4043 1 9 . 1 1 7 7 LYS N N 7 118.688 118.688 119.150 -0.462 25716 4044 1 9 . 1 1 7 7 LYS HA H 7 3.776 3.776 3.943 -0.167 25716 4045 1 9 . 1 1 7 7 LYS C C 7 175.192 175.192 178.835 -3.643 25716 4046 1 9 . 1 1 7 7 LYS CA C 7 60.903 60.903 60.239 0.664 25716 4047 1 9 . 1 1 7 7 LYS CB C 7 32.251 32.251 32.245 0.006 25716 4048 1 9 . 1 1 7 7 LYS H H 7 8.099 8.099 7.864 0.235 25716 4049 1 9 . 1 1 8 8 GLU N N 8 117.138 117.138 117.890 -0.752 25716 4050 1 9 . 1 1 8 8 GLU HA H 8 4.188 4.188 4.071 0.117 25716 4051 1 9 . 1 1 8 8 GLU C C 8 176.405 176.405 178.891 -2.486 25716 4052 1 9 . 1 1 8 8 GLU CA C 8 58.635 58.635 59.020 -0.385 25716 4053 1 9 . 1 1 8 8 GLU CB C 8 29.149 29.149 28.978 0.171 25716 4054 1 9 . 1 1 8 8 GLU H H 8 7.875 7.875 7.925 -0.050 25716 4055 1 9 . 1 1 9 9 LYS N N 9 119.639 119.639 120.582 -0.943 25716 4056 1 9 . 1 1 9 9 LYS HA H 9 4.072 4.072 4.243 -0.171 25716 4057 1 9 . 1 1 9 9 LYS C C 9 177.376 177.376 179.098 -1.722 25716 4058 1 9 . 1 1 9 9 LYS CA C 9 59.994 59.994 58.847 1.147 25716 4059 1 9 . 1 1 9 9 LYS CB C 9 32.471 32.471 32.370 0.101 25716 4060 1 9 . 1 1 9 9 LYS H H 9 8.102 8.102 8.166 -0.064 25716 4061 1 9 . 1 1 10 10 ILE N N 10 119.456 119.456 119.056 0.400 25716 4062 1 9 . 1 1 10 10 ILE HA H 10 3.713 3.713 3.689 0.024 25716 4063 1 9 . 1 1 10 10 ILE C C 10 174.153 174.153 177.814 -3.661 25716 4064 1 9 . 1 1 10 10 ILE CA C 10 65.549 65.549 65.646 -0.097 25716 4065 1 9 . 1 1 10 10 ILE CB C 10 37.522 37.522 37.840 -0.318 25716 4066 1 9 . 1 1 10 10 ILE H H 10 8.210 8.210 8.086 0.124 25716 4067 1 9 . 1 1 11 11 ARG N N 11 121.172 121.172 119.228 1.944 25716 4068 1 9 . 1 1 11 11 ARG HA H 11 3.608 3.608 3.970 -0.362 25716 4069 1 9 . 1 1 11 11 ARG C C 11 174.925 174.925 178.151 -3.226 25716 4070 1 9 . 1 1 11 11 ARG CA C 11 60.617 60.617 59.193 1.424 25716 4071 1 9 . 1 1 11 11 ARG CB C 11 30.480 30.480 29.250 1.230 25716 4072 1 9 . 1 1 11 11 ARG H H 11 8.851 8.851 8.318 0.533 25716 4073 1 9 . 1 1 12 12 ARG N N 12 116.578 116.578 120.211 -3.633 25716 4074 1 9 . 1 1 12 12 ARG HA H 12 3.935 3.935 4.105 -0.170 25716 4075 1 9 . 1 1 12 12 ARG C C 12 174.817 174.817 178.566 -3.749 25716 4076 1 9 . 1 1 12 12 ARG CA C 12 59.162 59.162 58.924 0.238 25716 4077 1 9 . 1 1 12 12 ARG CB C 12 29.476 29.476 29.636 -0.160 25716 4078 1 9 . 1 1 12 12 ARG H H 12 8.126 8.126 7.548 0.578 25716 4079 1 9 . 1 1 13 13 TYR N N 13 119.994 119.994 120.680 -0.686 25716 4080 1 9 . 1 1 13 13 TYR HA H 13 4.047 4.047 4.153 -0.106 25716 4081 1 9 . 1 1 13 13 TYR C C 13 175.273 175.273 177.783 -2.510 25716 4082 1 9 . 1 1 13 13 TYR CA C 13 61.856 61.856 60.931 0.925 25716 4083 1 9 . 1 1 13 13 TYR CB C 13 38.459 38.459 37.823 0.636 25716 4084 1 9 . 1 1 13 13 TYR H H 13 7.758 7.758 7.593 0.165 25716 4085 1 9 . 1 1 14 14 ILE N N 14 117.754 117.754 120.436 -2.682 25716 4086 1 9 . 1 1 14 14 ILE HA H 14 3.239 3.239 3.400 -0.161 25716 4087 1 9 . 1 1 14 14 ILE C C 14 175.425 175.425 177.527 -2.102 25716 4088 1 9 . 1 1 14 14 ILE CA C 14 65.826 65.826 65.636 0.190 25716 4089 1 9 . 1 1 14 14 ILE CB C 14 37.782 37.782 37.654 0.128 25716 4090 1 9 . 1 1 14 14 ILE H H 14 8.464 8.464 7.932 0.532 25716 4091 1 9 . 1 1 15 15 MET N N 15 116.173 116.173 118.468 -2.295 25716 4092 1 9 . 1 1 15 15 MET HA H 15 3.939 3.939 3.975 -0.036 25716 4093 1 9 . 1 1 15 15 MET C C 15 174.676 174.676 178.469 -3.793 25716 4094 1 9 . 1 1 15 15 MET CA C 15 59.276 59.276 59.630 -0.354 25716 4095 1 9 . 1 1 15 15 MET CB C 15 32.885 32.885 32.289 0.596 25716 4096 1 9 . 1 1 15 15 MET H H 15 8.265 8.265 7.700 0.565 25716 4097 1 9 . 1 1 16 16 GLU N N 16 116.398 116.398 118.218 -1.820 25716 4098 1 9 . 1 1 16 16 GLU HA H 16 3.980 3.980 4.016 -0.036 25716 4099 1 9 . 1 1 16 16 GLU C C 16 175.158 175.158 179.055 -3.897 25716 4100 1 9 . 1 1 16 16 GLU CA C 16 58.767 58.767 59.028 -0.261 25716 4101 1 9 . 1 1 16 16 GLU CB C 16 30.078 30.078 29.278 0.800 25716 4102 1 9 . 1 1 16 16 GLU H H 16 8.619 8.619 8.026 0.593 25716 4103 1 9 . 1 1 17 17 ASP N N 17 116.973 116.973 119.156 -2.183 25716 4104 1 9 . 1 1 17 17 ASP HA H 17 4.591 4.591 4.420 0.171 25716 4105 1 9 . 1 1 17 17 ASP C C 17 174.240 174.240 178.676 -4.436 25716 4106 1 9 . 1 1 17 17 ASP CA C 17 55.438 55.438 55.906 -0.468 25716 4107 1 9 . 1 1 17 17 ASP CB C 17 42.657 42.657 40.690 1.967 25716 4108 1 9 . 1 1 17 17 ASP H H 17 8.119 8.119 7.647 0.472 25716 4109 1 9 . 1 1 18 18 LEU N N 18 115.667 115.667 119.519 -3.852 25716 4110 1 9 . 1 1 18 18 LEU HA H 18 4.488 4.488 4.028 0.460 25716 4111 1 9 . 1 1 18 18 LEU C C 18 175.062 175.062 178.213 -3.151 25716 4112 1 9 . 1 1 18 18 LEU CA C 18 56.075 56.075 57.132 -1.057 25716 4113 1 9 . 1 1 18 18 LEU CB C 18 41.096 41.096 42.270 -1.174 25716 4114 1 9 . 1 1 18 18 LEU H H 18 7.162 7.162 7.250 -0.088 25716 4115 1 9 . 1 1 19 19 ILE N N 19 120.763 120.763 115.398 5.365 25716 4116 1 9 . 1 1 19 19 ILE HA H 19 3.979 3.979 4.056 -0.077 25716 4117 1 9 . 1 1 19 19 ILE C C 19 174.557 174.557 176.885 -2.328 25716 4118 1 9 . 1 1 19 19 ILE CA C 19 63.809 63.809 62.374 1.435 25716 4119 1 9 . 1 1 19 19 ILE CB C 19 38.044 38.044 39.314 -1.270 25716 4120 1 9 . 1 1 19 19 ILE H H 19 8.017 8.017 8.077 -0.060 25716 4121 1 9 . 1 1 20 20 GLY N N 20 108.619 108.619 106.911 1.708 25716 4122 1 9 . 1 1 20 20 GLY CA C 20 44.560 44.560 45.122 -0.562 25716 4123 1 9 . 1 1 20 20 GLY H H 20 8.126 8.126 7.836 0.290 25716 4124 1 9 . 1 1 21 21 PRO HA H 21 4.385 4.385 4.598 -0.213 25716 4125 1 9 . 1 1 21 21 PRO C C 21 174.855 174.855 177.552 -2.697 25716 4126 1 9 . 1 1 21 21 PRO CA C 21 64.406 64.406 63.379 1.027 25716 4127 1 9 . 1 1 21 21 PRO CB C 21 32.027 32.027 31.985 0.042 25716 4128 1 9 . 1 1 22 22 SER N N 22 114.165 114.165 116.858 -2.693 25716 4129 1 9 . 1 1 22 22 SER HA H 22 4.394 4.394 4.456 -0.062 25716 4130 1 9 . 1 1 22 22 SER C C 22 171.708 171.708 173.849 -2.141 25716 4131 1 9 . 1 1 22 22 SER CA C 22 58.871 58.871 58.233 0.637 25716 4132 1 9 . 1 1 22 22 SER CB C 22 63.473 63.473 61.870 1.603 25716 4133 1 9 . 1 1 22 22 SER H H 22 8.279 8.279 8.262 0.017 25716 4134 1 9 . 1 1 23 23 ALA N N 23 125.151 125.151 126.404 -1.253 25716 4135 1 9 . 1 1 23 23 ALA HA H 23 4.250 4.250 4.585 -0.335 25716 4136 1 9 . 1 1 23 23 ALA C C 23 174.903 174.903 176.264 -1.361 25716 4137 1 9 . 1 1 23 23 ALA CA C 23 52.851 52.851 51.851 1.000 25716 4138 1 9 . 1 1 23 23 ALA CB C 23 19.376 19.376 19.732 -0.356 25716 4139 1 9 . 1 1 23 23 ALA H H 23 8.040 8.040 7.699 0.341 25716 4140 1 9 . 1 1 24 24 LYS N N 24 120.823 120.823 120.899 -0.076 25716 4141 1 9 . 1 1 24 24 LYS HA H 24 4.346 4.346 4.221 0.125 25716 4142 1 9 . 1 1 24 24 LYS C C 24 174.522 174.522 178.477 -3.955 25716 4143 1 9 . 1 1 24 24 LYS CA C 24 55.938 55.938 55.434 0.504 25716 4144 1 9 . 1 1 24 24 LYS CB C 24 33.187 33.187 33.023 0.164 25716 4145 1 9 . 1 1 24 24 LYS H H 24 8.306 8.306 7.983 0.323 25716 4146 1 9 . 1 1 25 25 GLU N N 25 121.186 121.186 120.234 0.952 25716 4147 1 9 . 1 1 25 25 GLU HA H 25 4.114 4.114 4.042 0.072 25716 4148 1 9 . 1 1 25 25 GLU C C 25 173.808 173.808 176.867 -3.059 25716 4149 1 9 . 1 1 25 25 GLU CA C 25 58.023 58.023 59.142 -1.119 25716 4150 1 9 . 1 1 25 25 GLU CB C 25 29.769 29.769 29.582 0.187 25716 4151 1 9 . 1 1 25 25 GLU H H 25 8.569 8.569 8.728 -0.159 25716 4152 1 9 . 1 1 26 26 ASP N N 26 117.111 117.111 113.770 3.341 25716 4153 1 9 . 1 1 26 26 ASP HA H 26 4.569 4.569 4.668 -0.099 25716 4154 1 9 . 1 1 26 26 ASP C C 26 173.265 173.265 176.444 -3.179 25716 4155 1 9 . 1 1 26 26 ASP CA C 26 54.061 54.061 53.178 0.883 25716 4156 1 9 . 1 1 26 26 ASP CB C 26 40.742 40.742 41.235 -0.493 25716 4157 1 9 . 1 1 26 26 ASP H H 26 8.139 8.139 7.995 0.144 25716 4158 1 9 . 1 1 27 27 GLU N N 27 118.932 118.932 118.277 0.655 25716 4159 1 9 . 1 1 27 27 GLU HA H 27 4.239 4.239 4.354 -0.115 25716 4160 1 9 . 1 1 27 27 GLU C C 27 172.838 172.838 176.629 -3.791 25716 4161 1 9 . 1 1 27 27 GLU CA C 27 56.645 56.645 57.924 -1.279 25716 4162 1 9 . 1 1 27 27 GLU CB C 27 30.703 30.703 30.483 0.220 25716 4163 1 9 . 1 1 27 27 GLU H H 27 7.859 7.859 7.943 -0.084 25716 4164 1 9 . 1 1 28 28 LEU N N 28 121.726 121.726 119.640 2.086 25716 4165 1 9 . 1 1 28 28 LEU HA H 28 4.570 4.570 4.375 0.195 25716 4166 1 9 . 1 1 28 28 LEU C C 28 172.438 172.438 175.549 -3.111 25716 4167 1 9 . 1 1 28 28 LEU CA C 28 54.503 54.503 53.734 0.769 25716 4168 1 9 . 1 1 28 28 LEU CB C 28 43.342 43.342 41.823 1.519 25716 4169 1 9 . 1 1 28 28 LEU H H 28 7.671 7.671 7.331 0.340 25716 4170 1 9 . 1 1 29 29 ASP N N 29 126.685 126.685 123.233 3.452 25716 4171 1 9 . 1 1 29 29 ASP HA H 29 4.822 4.822 4.757 0.065 25716 4172 1 9 . 1 1 29 29 ASP C C 29 173.732 173.732 176.400 -2.668 25716 4173 1 9 . 1 1 29 29 ASP CA C 29 52.855 52.855 52.786 0.069 25716 4174 1 9 . 1 1 29 29 ASP CB C 29 43.124 43.124 44.499 -1.375 25716 4175 1 9 . 1 1 29 29 ASP H H 29 8.950 8.950 8.028 0.922 25716 4176 1 9 . 1 1 30 30 ASP N N 30 120.317 120.317 119.615 0.702 25716 4177 1 9 . 1 1 30 30 ASP HA H 30 4.247 4.247 4.328 -0.081 25716 4178 1 9 . 1 1 30 30 ASP C C 30 172.143 172.143 176.227 -4.084 25716 4179 1 9 . 1 1 30 30 ASP CA C 30 57.352 57.352 56.505 0.847 25716 4180 1 9 . 1 1 30 30 ASP CB C 30 40.160 40.160 40.835 -0.675 25716 4181 1 9 . 1 1 30 30 ASP H H 30 8.500 8.500 8.630 -0.130 25716 4182 1 9 . 1 1 31 31 GLN N N 31 111.109 111.109 117.258 -6.149 25716 4183 1 9 . 1 1 31 31 GLN HA H 31 4.590 4.590 4.576 0.014 25716 4184 1 9 . 1 1 31 31 GLN C C 31 174.343 174.343 175.598 -1.255 25716 4185 1 9 . 1 1 31 31 GLN CA C 31 54.437 54.437 54.315 0.122 25716 4186 1 9 . 1 1 31 31 GLN CB C 31 30.038 30.038 30.049 -0.011 25716 4187 1 9 . 1 1 31 31 GLN H H 31 8.234 8.234 7.984 0.250 25716 4188 1 9 . 1 1 32 32 THR N N 32 123.333 123.333 120.240 3.093 25716 4189 1 9 . 1 1 32 32 THR HA H 32 3.856 3.856 4.197 -0.341 25716 4190 1 9 . 1 1 32 32 THR CA C 32 62.805 62.805 61.582 1.223 25716 4191 1 9 . 1 1 32 32 THR CB C 32 69.907 69.907 68.873 1.034 25716 4192 1 9 . 1 1 32 32 THR H H 32 7.663 7.663 7.269 0.394 25716 4193 1 9 . 1 1 33 33 PRO HA H 33 4.823 4.823 4.701 0.122 25716 4194 1 9 . 1 1 33 33 PRO C C 33 172.190 172.190 177.252 -5.062 25716 4195 1 9 . 1 1 33 33 PRO CA C 33 61.670 61.670 62.998 -1.328 25716 4196 1 9 . 1 1 33 33 PRO CB C 33 29.880 29.880 31.565 -1.685 25716 4197 1 9 . 1 1 34 34 LEU N N 34 126.562 126.562 124.368 2.194 25716 4198 1 9 . 1 1 34 34 LEU HA H 34 3.820 3.820 3.766 0.054 25716 4199 1 9 . 1 1 34 34 LEU C C 34 176.590 176.590 178.417 -1.827 25716 4200 1 9 . 1 1 34 34 LEU CA C 34 57.808 57.808 58.271 -0.463 25716 4201 1 9 . 1 1 34 34 LEU CB C 34 42.569 42.569 41.625 0.944 25716 4202 1 9 . 1 1 34 34 LEU H H 34 7.988 7.988 8.103 -0.115 25716 4203 1 9 . 1 1 35 35 LEU N N 35 117.687 117.687 116.973 0.714 25716 4204 1 9 . 1 1 35 35 LEU HA H 35 4.539 4.539 4.079 0.460 25716 4205 1 9 . 1 1 35 35 LEU C C 35 178.411 178.411 179.519 -1.108 25716 4206 1 9 . 1 1 35 35 LEU CA C 35 56.531 56.531 56.989 -0.458 25716 4207 1 9 . 1 1 35 35 LEU CB C 35 41.338 41.338 41.723 -0.385 25716 4208 1 9 . 1 1 35 35 LEU H H 35 8.184 8.184 7.969 0.215 25716 4209 1 9 . 1 1 36 36 GLU N N 36 121.488 121.488 119.839 1.649 25716 4210 1 9 . 1 1 36 36 GLU HA H 36 4.118 4.118 4.171 -0.053 25716 4211 1 9 . 1 1 36 36 GLU C C 36 175.984 175.984 178.107 -2.123 25716 4212 1 9 . 1 1 36 36 GLU CA C 36 59.264 59.264 59.049 0.215 25716 4213 1 9 . 1 1 36 36 GLU CB C 36 29.608 29.608 29.317 0.291 25716 4214 1 9 . 1 1 36 36 GLU H H 36 7.857 7.857 7.917 -0.060 25716 4215 1 9 . 1 1 37 37 TRP N N 37 115.319 115.319 118.705 -3.386 25716 4216 1 9 . 1 1 37 37 TRP HA H 37 4.950 4.950 4.564 0.387 25716 4217 1 9 . 1 1 37 37 TRP C C 37 174.270 174.270 177.682 -3.412 25716 4218 1 9 . 1 1 37 37 TRP CA C 37 56.075 56.075 59.091 -3.016 25716 4219 1 9 . 1 1 37 37 TRP CB C 37 29.050 29.050 29.625 -0.575 25716 4220 1 9 . 1 1 37 37 TRP H H 37 8.180 8.180 8.348 -0.168 25716 4221 1 9 . 1 1 38 38 GLY N N 38 106.793 106.793 106.801 -0.008 25716 4222 1 9 . 1 1 38 38 GLY C C 38 171.784 171.784 175.760 -3.976 25716 4223 1 9 . 1 1 38 38 GLY CA C 38 46.275 46.275 45.794 0.481 25716 4224 1 9 . 1 1 38 38 GLY H H 38 7.704 7.704 7.728 -0.024 25716 4225 1 9 . 1 1 39 39 ILE N N 39 120.597 120.597 115.157 5.440 25716 4226 1 9 . 1 1 39 39 ILE HA H 39 3.753 3.753 4.060 -0.307 25716 4227 1 9 . 1 1 39 39 ILE C C 39 174.148 174.148 175.248 -1.100 25716 4228 1 9 . 1 1 39 39 ILE CA C 39 63.934 63.934 62.682 1.252 25716 4229 1 9 . 1 1 39 39 ILE CB C 39 38.673 38.673 38.201 0.472 25716 4230 1 9 . 1 1 39 39 ILE H H 39 7.697 7.697 7.512 0.185 25716 4231 1 9 . 1 1 40 40 LEU N N 40 115.102 115.102 120.721 -5.619 25716 4232 1 9 . 1 1 40 40 LEU HA H 40 4.934 4.934 4.764 0.170 25716 4233 1 9 . 1 1 40 40 LEU C C 40 172.286 172.286 175.088 -2.802 25716 4234 1 9 . 1 1 40 40 LEU CA C 40 52.249 52.249 53.794 -1.545 25716 4235 1 9 . 1 1 40 40 LEU CB C 40 43.454 43.454 43.771 -0.317 25716 4236 1 9 . 1 1 40 40 LEU H H 40 7.307 7.307 7.336 -0.029 25716 4237 1 9 . 1 1 41 41 ASN N N 41 117.306 117.306 118.799 -1.493 25716 4238 1 9 . 1 1 41 41 ASN HA H 41 4.589 4.589 4.719 -0.130 25716 4239 1 9 . 1 1 41 41 ASN C C 41 171.807 171.807 174.711 -2.904 25716 4240 1 9 . 1 1 41 41 ASN CA C 41 52.017 52.017 52.894 -0.877 25716 4241 1 9 . 1 1 41 41 ASN CB C 41 39.872 39.872 39.679 0.193 25716 4242 1 9 . 1 1 41 41 ASN H H 41 8.466 8.466 8.633 -0.167 25716 4243 1 9 . 1 1 42 42 SER N N 42 113.236 113.236 114.761 -1.525 25716 4244 1 9 . 1 1 42 42 SER HA H 42 4.116 4.116 4.180 -0.064 25716 4245 1 9 . 1 1 42 42 SER C C 42 171.631 171.631 176.278 -4.647 25716 4246 1 9 . 1 1 42 42 SER CA C 42 60.951 60.951 61.454 -0.503 25716 4247 1 9 . 1 1 42 42 SER CB C 42 65.868 65.868 62.783 3.085 25716 4248 1 9 . 1 1 42 42 SER H H 42 9.138 9.138 8.588 0.550 25716 4249 1 9 . 1 1 43 43 MET N N 43 118.797 118.797 120.302 -1.505 25716 4250 1 9 . 1 1 43 43 MET HA H 43 4.467 4.467 4.271 0.196 25716 4251 1 9 . 1 1 43 43 MET CA C 43 57.429 57.429 57.325 0.104 25716 4252 1 9 . 1 1 43 43 MET CB C 43 32.494 32.494 32.411 0.083 25716 4253 1 9 . 1 1 43 43 MET H H 43 8.292 8.292 7.837 0.455 25716 4254 1 9 . 1 1 44 44 ASN N N 44 117.701 117.701 117.055 0.646 25716 4255 1 9 . 1 1 44 44 ASN HA H 44 4.686 4.686 4.683 0.003 25716 4256 1 9 . 1 1 44 44 ASN C C 44 175.889 175.889 177.600 -1.711 25716 4257 1 9 . 1 1 44 44 ASN CA C 44 53.826 53.826 54.408 -0.582 25716 4258 1 9 . 1 1 44 44 ASN CB C 44 38.484 38.484 38.486 -0.002 25716 4259 1 9 . 1 1 44 44 ASN H H 44 8.299 8.299 8.123 0.176 25716 4260 1 9 . 1 1 45 45 ILE N N 45 122.124 122.124 122.539 -0.415 25716 4261 1 9 . 1 1 45 45 ILE HA H 45 3.783 3.783 3.828 -0.045 25716 4262 1 9 . 1 1 45 45 ILE C C 45 174.370 174.370 176.894 -2.524 25716 4263 1 9 . 1 1 45 45 ILE CA C 45 64.892 64.892 63.690 1.202 25716 4264 1 9 . 1 1 45 45 ILE CB C 45 37.778 37.778 37.838 -0.060 25716 4265 1 9 . 1 1 45 45 ILE H H 45 8.417 8.417 8.029 0.388 25716 4266 1 9 . 1 1 46 46 VAL N N 46 120.176 120.176 114.589 5.587 25716 4267 1 9 . 1 1 46 46 VAL HA H 46 3.714 3.714 3.759 -0.045 25716 4268 1 9 . 1 1 46 46 VAL C C 46 175.129 175.129 177.406 -2.277 25716 4269 1 9 . 1 1 46 46 VAL CA C 46 66.227 66.227 65.621 0.606 25716 4270 1 9 . 1 1 46 46 VAL CB C 46 31.294 31.294 31.270 0.024 25716 4271 1 9 . 1 1 46 46 VAL H H 46 7.394 7.394 7.615 -0.221 25716 4272 1 9 . 1 1 47 47 LYS N N 47 118.640 118.640 119.652 -1.012 25716 4273 1 9 . 1 1 47 47 LYS HA H 47 4.005 4.005 4.234 -0.229 25716 4274 1 9 . 1 1 47 47 LYS CA C 47 60.033 60.033 59.227 0.806 25716 4275 1 9 . 1 1 47 47 LYS CB C 47 32.093 32.093 32.223 -0.130 25716 4276 1 9 . 1 1 47 47 LYS H H 47 7.221 7.221 7.614 -0.393 25716 4277 1 9 . 1 1 48 48 LEU N N 48 119.812 119.812 120.839 -1.027 25716 4278 1 9 . 1 1 48 48 LEU HA H 48 4.261 4.261 4.082 0.179 25716 4279 1 9 . 1 1 48 48 LEU C C 48 175.105 175.105 178.720 -3.615 25716 4280 1 9 . 1 1 48 48 LEU CA C 48 57.717 57.717 58.010 -0.292 25716 4281 1 9 . 1 1 48 48 LEU CB C 48 41.683 41.683 41.869 -0.186 25716 4282 1 9 . 1 1 48 48 LEU H H 48 7.812 7.812 7.470 0.342 25716 4283 1 9 . 1 1 49 49 MET N N 49 118.031 118.031 117.706 0.325 25716 4284 1 9 . 1 1 49 49 MET HA H 49 3.919 3.919 4.038 -0.119 25716 4285 1 9 . 1 1 49 49 MET C C 49 176.673 176.673 178.965 -2.292 25716 4286 1 9 . 1 1 49 49 MET CA C 49 60.304 60.304 59.855 0.449 25716 4287 1 9 . 1 1 49 49 MET CB C 49 33.071 33.071 32.563 0.508 25716 4288 1 9 . 1 1 49 49 MET H H 49 8.583 8.583 8.120 0.463 25716 4289 1 9 . 1 1 50 50 VAL N N 50 122.370 122.370 115.681 6.689 25716 4290 1 9 . 1 1 50 50 VAL HA H 50 3.497 3.497 3.734 -0.237 25716 4291 1 9 . 1 1 50 50 VAL C C 50 173.639 173.639 177.399 -3.760 25716 4292 1 9 . 1 1 50 50 VAL CA C 50 67.182 67.182 65.376 1.806 25716 4293 1 9 . 1 1 50 50 VAL CB C 50 31.551 31.551 31.425 0.126 25716 4294 1 9 . 1 1 50 50 VAL H H 50 8.246 8.246 7.763 0.483 25716 4295 1 9 . 1 1 51 51 TYR N N 51 121.444 121.444 122.132 -0.688 25716 4296 1 9 . 1 1 51 51 TYR HA H 51 4.110 4.110 3.979 0.131 25716 4297 1 9 . 1 1 51 51 TYR C C 51 174.688 174.688 177.083 -2.395 25716 4298 1 9 . 1 1 51 51 TYR CA C 51 61.795 61.795 62.071 -0.276 25716 4299 1 9 . 1 1 51 51 TYR CB C 51 38.036 38.036 38.586 -0.550 25716 4300 1 9 . 1 1 51 51 TYR H H 51 7.774 7.774 7.339 0.435 25716 4301 1 9 . 1 1 52 52 ILE N N 52 118.347 118.347 119.100 -0.753 25716 4302 1 9 . 1 1 52 52 ILE HA H 52 3.283 3.283 3.613 -0.330 25716 4303 1 9 . 1 1 52 52 ILE C C 52 175.421 175.421 178.326 -2.905 25716 4304 1 9 . 1 1 52 52 ILE CA C 52 65.477 65.477 64.874 0.603 25716 4305 1 9 . 1 1 52 52 ILE CB C 52 38.703 38.703 37.761 0.942 25716 4306 1 9 . 1 1 52 52 ILE H H 52 8.388 8.388 8.471 -0.083 25716 4307 1 9 . 1 1 53 53 ARG N N 53 121.323 121.323 120.075 1.248 25716 4308 1 9 . 1 1 53 53 ARG HA H 53 3.920 3.920 3.818 0.102 25716 4309 1 9 . 1 1 53 53 ARG C C 53 176.463 176.463 177.462 -0.999 25716 4310 1 9 . 1 1 53 53 ARG CA C 53 59.458 59.458 60.063 -0.605 25716 4311 1 9 . 1 1 53 53 ARG CB C 53 30.296 30.296 29.928 0.368 25716 4312 1 9 . 1 1 53 53 ARG H H 53 7.831 7.831 8.132 -0.301 25716 4313 1 9 . 1 1 54 54 ASP N N 54 119.945 119.945 117.543 2.402 25716 4314 1 9 . 1 1 54 54 ASP HA H 54 4.319 4.319 4.531 -0.212 25716 4315 1 9 . 1 1 54 54 ASP C C 54 175.314 175.314 177.866 -2.552 25716 4316 1 9 . 1 1 54 54 ASP CA C 54 57.126 57.126 56.217 0.909 25716 4317 1 9 . 1 1 54 54 ASP CB C 54 40.074 40.074 41.247 -1.173 25716 4318 1 9 . 1 1 54 54 ASP H H 54 8.760 8.760 7.659 1.101 25716 4319 1 9 . 1 1 55 55 GLU N N 55 117.530 117.530 119.224 -1.694 25716 4320 1 9 . 1 1 55 55 GLU HA H 55 4.239 4.239 3.944 0.295 25716 4321 1 9 . 1 1 55 55 GLU C C 55 175.224 175.224 177.802 -2.578 25716 4322 1 9 . 1 1 55 55 GLU CA C 55 56.852 56.852 57.696 -0.844 25716 4323 1 9 . 1 1 55 55 GLU CB C 55 29.329 29.329 29.480 -0.151 25716 4324 1 9 . 1 1 55 55 GLU H H 55 8.701 8.701 8.153 0.548 25716 4325 1 9 . 1 1 56 56 MET N N 56 113.874 113.874 115.098 -1.224 25716 4326 1 9 . 1 1 56 56 MET HA H 56 4.566 4.566 4.336 0.230 25716 4327 1 9 . 1 1 56 56 MET C C 56 173.968 173.968 176.672 -2.704 25716 4328 1 9 . 1 1 56 56 MET CA C 56 55.539 55.539 56.244 -0.705 25716 4329 1 9 . 1 1 56 56 MET CB C 56 34.094 34.094 33.752 0.342 25716 4330 1 9 . 1 1 56 56 MET H H 56 7.464 7.464 7.495 -0.031 25716 4331 1 9 . 1 1 57 57 GLY N N 57 107.900 107.900 106.706 1.194 25716 4332 1 9 . 1 1 57 57 GLY C C 57 171.496 171.496 173.630 -2.134 25716 4333 1 9 . 1 1 57 57 GLY CA C 57 46.561 46.561 45.092 1.470 25716 4334 1 9 . 1 1 57 57 GLY H H 57 7.291 7.291 7.724 -0.433 25716 4335 1 9 . 1 1 58 58 VAL N N 58 117.126 117.126 117.839 -0.713 25716 4336 1 9 . 1 1 58 58 VAL HA H 58 4.283 4.283 4.340 -0.057 25716 4337 1 9 . 1 1 58 58 VAL C C 58 171.116 171.116 173.967 -2.851 25716 4338 1 9 . 1 1 58 58 VAL CA C 58 60.487 60.487 60.020 0.467 25716 4339 1 9 . 1 1 58 58 VAL CB C 58 34.837 34.837 34.316 0.521 25716 4340 1 9 . 1 1 58 58 VAL H H 58 6.970 6.970 7.643 -0.673 25716 4341 1 9 . 1 1 59 59 SER N N 59 122.188 122.188 124.460 -2.272 25716 4342 1 9 . 1 1 59 59 SER HA H 59 4.432 4.432 4.469 -0.037 25716 4343 1 9 . 1 1 59 59 SER C C 59 170.766 170.766 174.736 -3.970 25716 4344 1 9 . 1 1 59 59 SER CA C 59 56.563 56.563 57.668 -1.105 25716 4345 1 9 . 1 1 59 59 SER CB C 59 63.106 63.106 63.444 -0.338 25716 4346 1 9 . 1 1 59 59 SER H H 59 8.609 8.609 8.276 0.333 25716 4347 1 9 . 1 1 60 60 ILE N N 60 128.230 128.230 128.466 -0.236 25716 4348 1 9 . 1 1 60 60 ILE HA H 60 4.033 4.033 4.239 -0.206 25716 4349 1 9 . 1 1 60 60 ILE CA C 60 58.127 58.127 59.003 -0.876 25716 4350 1 9 . 1 1 60 60 ILE CB C 60 38.217 38.217 37.762 0.455 25716 4351 1 9 . 1 1 60 60 ILE H H 60 8.257 8.257 8.307 -0.050 25716 4352 1 9 . 1 1 61 61 PRO HA H 61 4.501 4.501 4.646 -0.145 25716 4353 1 9 . 1 1 61 61 PRO CA C 61 62.352 62.352 62.422 -0.070 25716 4354 1 9 . 1 1 61 61 PRO CB C 61 32.469 32.469 32.753 -0.284 25716 4355 1 9 . 1 1 62 62 SER HA H 62 4.058 4.058 4.241 -0.183 25716 4356 1 9 . 1 1 62 62 SER C C 62 173.269 173.269 176.123 -2.854 25716 4357 1 9 . 1 1 62 62 SER CA C 62 61.511 61.511 60.795 0.716 25716 4358 1 9 . 1 1 62 62 SER CB C 62 62.646 62.646 62.538 0.108 25716 4359 1 9 . 1 1 63 63 THR N N 63 110.178 110.178 116.664 -6.486 25716 4360 1 9 . 1 1 63 63 THR HA H 63 4.066 4.066 4.199 -0.133 25716 4361 1 9 . 1 1 63 63 THR C C 63 172.917 172.917 174.868 -1.951 25716 4362 1 9 . 1 1 63 63 THR CA C 63 63.007 63.007 64.271 -1.264 25716 4363 1 9 . 1 1 63 63 THR CB C 63 69.323 69.323 68.665 0.658 25716 4364 1 9 . 1 1 63 63 THR H H 63 7.307 7.307 8.213 -0.906 25716 4365 1 9 . 1 1 64 64 HIS N N 64 121.862 121.862 117.218 4.644 25716 4366 1 9 . 1 1 64 64 HIS HA H 64 4.495 4.495 4.785 -0.290 25716 4367 1 9 . 1 1 64 64 HIS C C 64 171.495 171.495 175.389 -3.894 25716 4368 1 9 . 1 1 64 64 HIS CA C 64 56.203 56.203 56.718 -0.515 25716 4369 1 9 . 1 1 64 64 HIS CB C 64 29.814 29.814 30.458 -0.644 25716 4370 1 9 . 1 1 64 64 HIS H H 64 8.132 8.132 7.662 0.470 25716 4371 1 9 . 1 1 65 65 ILE N N 65 118.536 118.536 121.767 -3.231 25716 4372 1 9 . 1 1 65 65 ILE HA H 65 4.165 4.165 4.189 -0.024 25716 4373 1 9 . 1 1 65 65 ILE C C 65 172.049 172.049 175.407 -3.358 25716 4374 1 9 . 1 1 65 65 ILE CA C 65 60.576 60.576 60.385 0.191 25716 4375 1 9 . 1 1 65 65 ILE CB C 65 35.561 35.561 35.530 0.031 25716 4376 1 9 . 1 1 65 65 ILE H H 65 7.223 7.223 7.277 -0.054 25716 4377 1 9 . 1 1 66 66 THR N N 66 114.529 114.529 121.719 -7.190 25716 4378 1 9 . 1 1 66 66 THR HA H 66 4.635 4.635 4.548 0.087 25716 4379 1 9 . 1 1 66 66 THR C C 66 172.176 172.176 175.635 -3.459 25716 4380 1 9 . 1 1 66 66 THR CA C 66 59.827 59.827 60.660 -0.833 25716 4381 1 9 . 1 1 66 66 THR CB C 66 70.679 70.679 72.313 -1.634 25716 4382 1 9 . 1 1 66 66 THR H H 66 7.943 7.943 8.018 -0.075 25716 4383 1 9 . 1 1 67 67 GLY N N 67 109.454 109.454 110.831 -1.377 25716 4384 1 9 . 1 1 67 67 GLY C C 67 172.080 172.080 175.650 -3.570 25716 4385 1 9 . 1 1 67 67 GLY CA C 67 47.245 47.245 46.536 0.709 25716 4386 1 9 . 1 1 67 67 GLY H H 67 8.736 8.736 8.894 -0.158 25716 4387 1 9 . 1 1 68 68 LYS N N 68 118.551 118.551 121.635 -3.084 25716 4388 1 9 . 1 1 68 68 LYS HA H 68 3.851 3.851 3.910 -0.059 25716 4389 1 9 . 1 1 68 68 LYS C C 68 174.455 174.455 179.005 -4.550 25716 4390 1 9 . 1 1 68 68 LYS CA C 68 58.697 58.697 59.011 -0.314 25716 4391 1 9 . 1 1 68 68 LYS CB C 68 32.350 32.350 32.129 0.221 25716 4392 1 9 . 1 1 68 68 LYS H H 68 7.968 7.968 7.462 0.506 25716 4393 1 9 . 1 1 69 69 TYR N N 69 115.203 115.203 117.762 -2.559 25716 4394 1 9 . 1 1 69 69 TYR HA H 69 4.213 4.213 4.434 -0.221 25716 4395 1 9 . 1 1 69 69 TYR C C 69 171.772 171.772 176.600 -4.828 25716 4396 1 9 . 1 1 69 69 TYR CA C 69 59.212 59.212 59.674 -0.462 25716 4397 1 9 . 1 1 69 69 TYR CB C 69 38.555 38.555 39.167 -0.612 25716 4398 1 9 . 1 1 69 69 TYR H H 69 6.826 6.826 7.708 -0.882 25716 4399 1 9 . 1 1 70 70 PHE N N 70 112.140 112.140 114.685 -2.545 25716 4400 1 9 . 1 1 70 70 PHE HA H 70 4.629 4.629 4.712 -0.083 25716 4401 1 9 . 1 1 70 70 PHE C C 70 171.998 171.998 176.401 -4.403 25716 4402 1 9 . 1 1 70 70 PHE CA C 70 57.245 57.245 58.347 -1.102 25716 4403 1 9 . 1 1 70 70 PHE CB C 70 40.329 40.329 39.202 1.127 25716 4404 1 9 . 1 1 70 70 PHE H H 70 7.327 7.327 8.210 -0.883 25716 4405 1 9 . 1 1 71 71 LYS N N 71 113.603 113.603 120.346 -6.743 25716 4406 1 9 . 1 1 71 71 LYS HA H 71 3.875 3.875 4.140 -0.265 25716 4407 1 9 . 1 1 71 71 LYS C C 71 172.963 172.963 175.877 -2.914 25716 4408 1 9 . 1 1 71 71 LYS CA C 71 59.667 59.667 58.633 1.034 25716 4409 1 9 . 1 1 71 71 LYS CB C 71 33.074 33.074 32.643 0.431 25716 4410 1 9 . 1 1 71 71 LYS H H 71 6.925 6.925 7.926 -1.001 25716 4411 1 9 . 1 1 72 72 ASP N N 72 110.434 110.434 115.127 -4.693 25716 4412 1 9 . 1 1 72 72 ASP HA H 72 4.441 4.441 4.887 -0.446 25716 4413 1 9 . 1 1 72 72 ASP C C 72 172.750 172.750 176.167 -3.417 25716 4414 1 9 . 1 1 72 72 ASP CA C 72 52.378 52.378 52.710 -0.332 25716 4415 1 9 . 1 1 72 72 ASP CB C 72 42.426 42.426 43.678 -1.252 25716 4416 1 9 . 1 1 72 72 ASP H H 72 7.363 7.363 7.474 -0.111 25716 4417 1 9 . 1 1 73 73 LEU N N 73 120.273 120.273 118.976 1.297 25716 4418 1 9 . 1 1 73 73 LEU HA H 73 3.920 3.920 3.933 -0.013 25716 4419 1 9 . 1 1 73 73 LEU C C 73 176.648 176.648 178.372 -1.724 25716 4420 1 9 . 1 1 73 73 LEU CA C 73 58.120 58.120 57.425 0.695 25716 4421 1 9 . 1 1 73 73 LEU CB C 73 42.574 42.574 42.028 0.546 25716 4422 1 9 . 1 1 73 73 LEU H H 73 9.983 9.983 8.182 1.801 25716 4423 1 9 . 1 1 74 74 ASN N N 74 119.506 119.506 117.956 1.550 25716 4424 1 9 . 1 1 74 74 ASN HA H 74 4.405 4.405 4.452 -0.047 25716 4425 1 9 . 1 1 74 74 ASN C C 74 174.659 174.659 177.176 -2.517 25716 4426 1 9 . 1 1 74 74 ASN CA C 74 56.287 56.287 56.539 -0.253 25716 4427 1 9 . 1 1 74 74 ASN CB C 74 37.579 37.579 38.365 -0.786 25716 4428 1 9 . 1 1 74 74 ASN H H 74 7.893 7.893 7.947 -0.054 25716 4429 1 9 . 1 1 75 75 ALA N N 75 125.068 125.068 122.800 2.268 25716 4430 1 9 . 1 1 75 75 ALA HA H 75 4.097 4.097 4.239 -0.142 25716 4431 1 9 . 1 1 75 75 ALA C C 75 177.809 177.809 179.582 -1.773 25716 4432 1 9 . 1 1 75 75 ALA CA C 75 55.365 55.365 54.593 0.772 25716 4433 1 9 . 1 1 75 75 ALA CB C 75 18.572 18.572 18.409 0.163 25716 4434 1 9 . 1 1 75 75 ALA H H 75 8.951 8.951 7.581 1.370 25716 4435 1 9 . 1 1 76 76 ILE N N 76 119.561 119.561 118.758 0.803 25716 4436 1 9 . 1 1 76 76 ILE HA H 76 3.615 3.615 3.258 0.357 25716 4437 1 9 . 1 1 76 76 ILE C C 76 175.344 175.344 177.586 -2.242 25716 4438 1 9 . 1 1 76 76 ILE CA C 76 65.272 65.272 64.907 0.365 25716 4439 1 9 . 1 1 76 76 ILE CB C 76 39.056 39.056 37.719 1.337 25716 4440 1 9 . 1 1 76 76 ILE H H 76 8.386 8.386 7.495 0.891 25716 4441 1 9 . 1 1 77 77 SER N N 77 114.090 114.090 115.782 -1.692 25716 4442 1 9 . 1 1 77 77 SER HA H 77 3.878 3.878 4.141 -0.263 25716 4443 1 9 . 1 1 77 77 SER C C 77 173.592 173.592 176.555 -2.963 25716 4444 1 9 . 1 1 77 77 SER CA C 77 62.733 62.733 61.864 0.869 25716 4445 1 9 . 1 1 77 77 SER CB C 77 62.864 62.864 63.307 -0.443 25716 4446 1 9 . 1 1 77 77 SER H H 77 8.250 8.250 8.392 -0.142 25716 4447 1 9 . 1 1 78 78 ARG N N 78 121.670 121.670 120.244 1.426 25716 4448 1 9 . 1 1 78 78 ARG HA H 78 4.129 4.129 4.129 -0.000 25716 4449 1 9 . 1 1 78 78 ARG C C 78 176.111 176.111 178.473 -2.362 25716 4450 1 9 . 1 1 78 78 ARG CA C 78 59.328 59.328 58.967 0.361 25716 4451 1 9 . 1 1 78 78 ARG CB C 78 29.814 29.814 29.493 0.321 25716 4452 1 9 . 1 1 78 78 ARG H H 78 8.086 8.086 7.774 0.312 25716 4453 1 9 . 1 1 79 79 THR N N 79 118.928 118.928 114.944 3.984 25716 4454 1 9 . 1 1 79 79 THR HA H 79 4.525 4.525 4.020 0.505 25716 4455 1 9 . 1 1 79 79 THR C C 79 173.364 173.364 176.051 -2.687 25716 4456 1 9 . 1 1 79 79 THR CA C 79 68.289 68.289 65.147 3.142 25716 4457 1 9 . 1 1 79 79 THR CB C 79 67.268 67.268 68.239 -0.971 25716 4458 1 9 . 1 1 79 79 THR H H 79 8.351 8.351 7.319 1.032 25716 4459 1 9 . 1 1 80 80 VAL N N 80 120.643 120.643 121.770 -1.127 25716 4460 1 9 . 1 1 80 80 VAL HA H 80 3.339 3.339 3.510 -0.171 25716 4461 1 9 . 1 1 80 80 VAL C C 80 174.438 174.438 177.885 -3.447 25716 4462 1 9 . 1 1 80 80 VAL CA C 80 67.603 67.603 66.635 0.968 25716 4463 1 9 . 1 1 80 80 VAL CB C 80 31.532 31.532 31.637 -0.105 25716 4464 1 9 . 1 1 80 80 VAL H H 80 8.242 8.242 7.568 0.674 25716 4465 1 9 . 1 1 81 81 GLU N N 81 118.067 118.067 118.161 -0.094 25716 4466 1 9 . 1 1 81 81 GLU HA H 81 3.943 3.943 4.007 -0.064 25716 4467 1 9 . 1 1 81 81 GLU C C 81 176.961 176.961 178.999 -2.038 25716 4468 1 9 . 1 1 81 81 GLU CA C 81 59.974 59.974 58.913 1.061 25716 4469 1 9 . 1 1 81 81 GLU CB C 81 29.817 29.817 28.692 1.125 25716 4470 1 9 . 1 1 81 81 GLU H H 81 8.296 8.296 7.872 0.424 25716 4471 1 9 . 1 1 82 82 GLN N N 82 119.947 119.947 120.339 -0.392 25716 4472 1 9 . 1 1 82 82 GLN HA H 82 4.110 4.110 4.150 -0.040 25716 4473 1 9 . 1 1 82 82 GLN C C 82 176.023 176.023 178.231 -2.208 25716 4474 1 9 . 1 1 82 82 GLN CA C 82 58.991 58.991 58.018 0.973 25716 4475 1 9 . 1 1 82 82 GLN CB C 82 28.136 28.136 28.300 -0.164 25716 4476 1 9 . 1 1 82 82 GLN H H 82 8.444 8.444 7.462 0.982 25716 4477 1 9 . 1 1 83 83 LEU N N 83 119.916 119.916 120.109 -0.193 25716 4478 1 9 . 1 1 83 83 LEU HA H 83 4.075 4.075 4.141 -0.066 25716 4479 1 9 . 1 1 83 83 LEU C C 83 177.753 177.753 179.423 -1.670 25716 4480 1 9 . 1 1 83 83 LEU CA C 83 57.453 57.453 57.062 0.391 25716 4481 1 9 . 1 1 83 83 LEU CB C 83 41.673 41.673 41.328 0.346 25716 4482 1 9 . 1 1 83 83 LEU H H 83 8.149 8.149 8.478 -0.329 25716 4483 1 9 . 1 1 84 84 LYS N N 84 121.059 121.059 119.610 1.449 25716 4484 1 9 . 1 1 84 84 LYS HA H 84 3.951 3.951 3.895 0.056 25716 4485 1 9 . 1 1 84 84 LYS C C 84 176.055 176.055 178.541 -2.486 25716 4486 1 9 . 1 1 84 84 LYS CA C 84 59.328 59.328 59.414 -0.086 25716 4487 1 9 . 1 1 84 84 LYS CB C 84 32.291 32.291 31.858 0.433 25716 4488 1 9 . 1 1 84 84 LYS H H 84 8.373 8.373 7.936 0.437 25716 4489 1 9 . 1 1 85 85 ALA N N 85 122.134 122.134 120.987 1.147 25716 4490 1 9 . 1 1 85 85 ALA HA H 85 4.188 4.188 4.125 0.063 25716 4491 1 9 . 1 1 85 85 ALA C C 85 177.240 177.240 179.938 -2.698 25716 4492 1 9 . 1 1 85 85 ALA CA C 85 54.423 54.423 55.003 -0.580 25716 4493 1 9 . 1 1 85 85 ALA CB C 85 18.193 18.193 18.275 -0.082 25716 4494 1 9 . 1 1 85 85 ALA H H 85 7.854 7.854 7.377 0.477 25716 4495 1 9 . 1 1 86 86 GLU N N 86 117.813 117.813 117.898 -0.085 25716 4496 1 9 . 1 1 86 86 GLU HA H 86 4.115 4.115 3.977 0.138 25716 4497 1 9 . 1 1 86 86 GLU C C 86 175.547 175.547 179.061 -3.514 25716 4498 1 9 . 1 1 86 86 GLU CA C 86 58.199 58.199 58.852 -0.652 25716 4499 1 9 . 1 1 86 86 GLU CB C 86 29.841 29.841 29.546 0.295 25716 4500 1 9 . 1 1 86 86 GLU H H 86 8.059 8.059 7.968 0.091 25716 4501 1 9 . 1 1 87 87 SER N N 87 114.771 114.771 114.560 0.211 25716 4502 1 9 . 1 1 87 87 SER HA H 87 4.362 4.362 4.281 0.081 25716 4503 1 9 . 1 1 87 87 SER C C 87 172.405 172.405 175.734 -3.329 25716 4504 1 9 . 1 1 87 87 SER CA C 87 59.806 59.806 60.446 -0.640 25716 4505 1 9 . 1 1 87 87 SER CB C 87 63.528 63.528 63.154 0.374 25716 4506 1 9 . 1 1 87 87 SER H H 87 7.908 7.908 8.059 -0.151 25716 4507 1 9 . 1 1 88 88 ALA N N 88 124.277 124.277 123.165 1.112 25716 4508 1 9 . 1 1 88 88 ALA HA H 88 4.284 4.284 4.176 0.108 25716 4509 1 9 . 1 1 88 88 ALA C C 88 175.489 175.489 178.869 -3.380 25716 4510 1 9 . 1 1 88 88 ALA CA C 88 53.087 53.087 54.207 -1.120 25716 4511 1 9 . 1 1 88 88 ALA CB C 88 18.792 18.792 18.991 -0.199 25716 4512 1 9 . 1 1 88 88 ALA H H 88 7.812 7.812 7.630 0.182 25716 4513 1 9 . 1 1 89 89 LEU N N 89 119.411 119.411 118.385 1.026 25716 4514 1 9 . 1 1 89 89 LEU HA H 89 4.219 4.219 4.251 -0.032 25716 4515 1 9 . 1 1 89 89 LEU C C 89 175.025 175.025 177.805 -2.780 25716 4516 1 9 . 1 1 89 89 LEU CA C 89 55.608 55.608 55.203 0.405 25716 4517 1 9 . 1 1 89 89 LEU CB C 89 42.213 42.213 42.304 -0.091 25716 4518 1 9 . 1 1 89 89 LEU H H 89 7.769 7.769 7.800 -0.031 25716 4519 1 10 . 1 1 2 2 ASP HA H 2 4.704 4.704 4.633 0.071 25716 4520 1 10 . 1 1 2 2 ASP C C 2 173.822 173.822 177.398 -3.576 25716 4521 1 10 . 1 1 2 2 ASP CA C 2 54.130 54.130 54.249 -0.119 25716 4522 1 10 . 1 1 2 2 ASP CB C 2 41.601 41.601 42.230 -0.629 25716 4523 1 10 . 1 1 3 3 GLY N N 3 109.376 109.376 110.971 -1.595 25716 4524 1 10 . 1 1 3 3 GLY C C 3 172.786 172.786 175.973 -3.187 25716 4525 1 10 . 1 1 3 3 GLY CA C 3 46.704 46.704 46.952 -0.248 25716 4526 1 10 . 1 1 3 3 GLY H H 3 8.712 8.712 8.549 0.163 25716 4527 1 10 . 1 1 4 4 GLU N N 4 120.623 120.623 120.309 0.314 25716 4528 1 10 . 1 1 4 4 GLU HA H 4 4.207 4.207 4.068 0.139 25716 4529 1 10 . 1 1 4 4 GLU C C 4 175.198 175.198 178.743 -3.545 25716 4530 1 10 . 1 1 4 4 GLU CA C 4 58.159 58.159 59.193 -1.034 25716 4531 1 10 . 1 1 4 4 GLU CB C 4 29.793 29.793 28.914 0.879 25716 4532 1 10 . 1 1 4 4 GLU H H 4 8.280 8.280 8.835 -0.555 25716 4533 1 10 . 1 1 5 5 GLU N N 5 121.684 121.684 119.061 2.623 25716 4534 1 10 . 1 1 5 5 GLU HA H 5 4.173 4.173 4.133 0.040 25716 4535 1 10 . 1 1 5 5 GLU C C 5 175.720 175.720 178.950 -3.230 25716 4536 1 10 . 1 1 5 5 GLU CA C 5 58.648 58.648 59.170 -0.522 25716 4537 1 10 . 1 1 5 5 GLU CB C 5 29.819 29.819 29.239 0.580 25716 4538 1 10 . 1 1 5 5 GLU H H 5 8.254 8.254 8.353 -0.099 25716 4539 1 10 . 1 1 6 6 VAL N N 6 120.195 120.195 119.431 0.764 25716 4540 1 10 . 1 1 6 6 VAL HA H 6 3.594 3.594 3.720 -0.126 25716 4541 1 10 . 1 1 6 6 VAL C C 6 174.638 174.638 178.689 -4.051 25716 4542 1 10 . 1 1 6 6 VAL CA C 6 66.621 66.621 66.498 0.123 25716 4543 1 10 . 1 1 6 6 VAL CB C 6 32.041 32.041 31.398 0.644 25716 4544 1 10 . 1 1 6 6 VAL H H 6 8.137 8.137 7.719 0.418 25716 4545 1 10 . 1 1 7 7 LYS N N 7 118.688 118.688 119.460 -0.772 25716 4546 1 10 . 1 1 7 7 LYS HA H 7 3.776 3.776 3.983 -0.207 25716 4547 1 10 . 1 1 7 7 LYS C C 7 175.192 175.192 178.739 -3.547 25716 4548 1 10 . 1 1 7 7 LYS CA C 7 60.903 60.903 60.130 0.773 25716 4549 1 10 . 1 1 7 7 LYS CB C 7 32.251 32.251 32.094 0.157 25716 4550 1 10 . 1 1 7 7 LYS H H 7 8.099 8.099 7.776 0.323 25716 4551 1 10 . 1 1 8 8 GLU N N 8 117.138 117.138 119.216 -2.078 25716 4552 1 10 . 1 1 8 8 GLU HA H 8 4.188 4.188 3.924 0.264 25716 4553 1 10 . 1 1 8 8 GLU C C 8 176.405 176.405 178.829 -2.424 25716 4554 1 10 . 1 1 8 8 GLU CA C 8 58.635 58.635 59.387 -0.752 25716 4555 1 10 . 1 1 8 8 GLU CB C 8 29.149 29.149 29.521 -0.372 25716 4556 1 10 . 1 1 8 8 GLU H H 8 7.875 7.875 8.040 -0.165 25716 4557 1 10 . 1 1 9 9 LYS N N 9 119.639 119.639 119.545 0.094 25716 4558 1 10 . 1 1 9 9 LYS HA H 9 4.072 4.072 4.138 -0.066 25716 4559 1 10 . 1 1 9 9 LYS C C 9 177.376 177.376 179.188 -1.812 25716 4560 1 10 . 1 1 9 9 LYS CA C 9 59.994 59.994 59.868 0.126 25716 4561 1 10 . 1 1 9 9 LYS CB C 9 32.471 32.471 32.623 -0.152 25716 4562 1 10 . 1 1 9 9 LYS H H 9 8.102 8.102 8.058 0.044 25716 4563 1 10 . 1 1 10 10 ILE N N 10 119.456 119.456 118.784 0.672 25716 4564 1 10 . 1 1 10 10 ILE HA H 10 3.713 3.713 3.603 0.110 25716 4565 1 10 . 1 1 10 10 ILE C C 10 174.153 174.153 178.068 -3.915 25716 4566 1 10 . 1 1 10 10 ILE CA C 10 65.549 65.549 64.710 0.839 25716 4567 1 10 . 1 1 10 10 ILE CB C 10 37.522 37.522 37.988 -0.466 25716 4568 1 10 . 1 1 10 10 ILE H H 10 8.210 8.210 7.609 0.601 25716 4569 1 10 . 1 1 11 11 ARG N N 11 121.172 121.172 119.477 1.695 25716 4570 1 10 . 1 1 11 11 ARG HA H 11 3.608 3.608 4.056 -0.449 25716 4571 1 10 . 1 1 11 11 ARG C C 11 174.925 174.925 178.340 -3.415 25716 4572 1 10 . 1 1 11 11 ARG CA C 11 60.617 60.617 58.588 2.029 25716 4573 1 10 . 1 1 11 11 ARG CB C 11 30.480 30.480 29.341 1.139 25716 4574 1 10 . 1 1 11 11 ARG H H 11 8.851 8.851 8.312 0.539 25716 4575 1 10 . 1 1 12 12 ARG N N 12 116.578 116.578 120.842 -4.264 25716 4576 1 10 . 1 1 12 12 ARG HA H 12 3.935 3.935 4.059 -0.124 25716 4577 1 10 . 1 1 12 12 ARG C C 12 174.817 174.817 178.421 -3.604 25716 4578 1 10 . 1 1 12 12 ARG CA C 12 59.162 59.162 59.013 0.149 25716 4579 1 10 . 1 1 12 12 ARG CB C 12 29.476 29.476 29.470 0.006 25716 4580 1 10 . 1 1 12 12 ARG H H 12 8.126 8.126 7.992 0.134 25716 4581 1 10 . 1 1 13 13 TYR N N 13 119.994 119.994 120.113 -0.119 25716 4582 1 10 . 1 1 13 13 TYR HA H 13 4.047 4.047 4.190 -0.143 25716 4583 1 10 . 1 1 13 13 TYR C C 13 175.273 175.273 177.835 -2.562 25716 4584 1 10 . 1 1 13 13 TYR CA C 13 61.856 61.856 60.594 1.262 25716 4585 1 10 . 1 1 13 13 TYR CB C 13 38.459 38.459 37.784 0.675 25716 4586 1 10 . 1 1 13 13 TYR H H 13 7.758 7.758 7.595 0.163 25716 4587 1 10 . 1 1 14 14 ILE N N 14 117.754 117.754 119.613 -1.859 25716 4588 1 10 . 1 1 14 14 ILE HA H 14 3.239 3.239 3.434 -0.195 25716 4589 1 10 . 1 1 14 14 ILE C C 14 175.425 175.425 177.069 -1.644 25716 4590 1 10 . 1 1 14 14 ILE CA C 14 65.826 65.826 65.200 0.626 25716 4591 1 10 . 1 1 14 14 ILE CB C 14 37.782 37.782 37.742 0.040 25716 4592 1 10 . 1 1 14 14 ILE H H 14 8.464 8.464 7.712 0.752 25716 4593 1 10 . 1 1 15 15 MET N N 15 116.173 116.173 117.200 -1.027 25716 4594 1 10 . 1 1 15 15 MET HA H 15 3.939 3.939 4.171 -0.232 25716 4595 1 10 . 1 1 15 15 MET C C 15 174.676 174.676 177.855 -3.179 25716 4596 1 10 . 1 1 15 15 MET CA C 15 59.276 59.276 58.861 0.415 25716 4597 1 10 . 1 1 15 15 MET CB C 15 32.885 32.885 32.345 0.540 25716 4598 1 10 . 1 1 15 15 MET H H 15 8.265 8.265 7.531 0.734 25716 4599 1 10 . 1 1 16 16 GLU N N 16 116.398 116.398 118.713 -2.315 25716 4600 1 10 . 1 1 16 16 GLU HA H 16 3.980 3.980 4.126 -0.146 25716 4601 1 10 . 1 1 16 16 GLU C C 16 175.158 175.158 178.355 -3.197 25716 4602 1 10 . 1 1 16 16 GLU CA C 16 58.767 58.767 58.719 0.048 25716 4603 1 10 . 1 1 16 16 GLU CB C 16 30.078 30.078 29.713 0.365 25716 4604 1 10 . 1 1 16 16 GLU H H 16 8.619 8.619 7.561 1.058 25716 4605 1 10 . 1 1 17 17 ASP N N 17 116.973 116.973 118.258 -1.285 25716 4606 1 10 . 1 1 17 17 ASP HA H 17 4.591 4.591 4.476 0.115 25716 4607 1 10 . 1 1 17 17 ASP C C 17 174.240 174.240 178.083 -3.843 25716 4608 1 10 . 1 1 17 17 ASP CA C 17 55.438 55.438 55.702 -0.264 25716 4609 1 10 . 1 1 17 17 ASP CB C 17 42.657 42.657 41.121 1.536 25716 4610 1 10 . 1 1 17 17 ASP H H 17 8.119 8.119 7.772 0.347 25716 4611 1 10 . 1 1 18 18 LEU N N 18 115.667 115.667 119.788 -4.121 25716 4612 1 10 . 1 1 18 18 LEU HA H 18 4.488 4.488 4.011 0.477 25716 4613 1 10 . 1 1 18 18 LEU C C 18 175.062 175.062 177.664 -2.602 25716 4614 1 10 . 1 1 18 18 LEU CA C 18 56.075 56.075 57.150 -1.075 25716 4615 1 10 . 1 1 18 18 LEU CB C 18 41.096 41.096 42.407 -1.311 25716 4616 1 10 . 1 1 18 18 LEU H H 18 7.162 7.162 7.233 -0.071 25716 4617 1 10 . 1 1 19 19 ILE N N 19 120.763 120.763 115.716 5.047 25716 4618 1 10 . 1 1 19 19 ILE HA H 19 3.979 3.979 4.203 -0.224 25716 4619 1 10 . 1 1 19 19 ILE C C 19 174.557 174.557 175.697 -1.140 25716 4620 1 10 . 1 1 19 19 ILE CA C 19 63.809 63.809 60.763 3.046 25716 4621 1 10 . 1 1 19 19 ILE CB C 19 38.044 38.044 40.484 -2.440 25716 4622 1 10 . 1 1 19 19 ILE H H 19 8.017 8.017 7.895 0.122 25716 4623 1 10 . 1 1 20 20 GLY N N 20 108.619 108.619 109.489 -0.870 25716 4624 1 10 . 1 1 20 20 GLY CA C 20 44.560 44.560 45.070 -0.510 25716 4625 1 10 . 1 1 20 20 GLY H H 20 8.126 8.126 8.447 -0.321 25716 4626 1 10 . 1 1 21 21 PRO HA H 21 4.385 4.385 4.429 -0.044 25716 4627 1 10 . 1 1 21 21 PRO C C 21 174.855 174.855 177.137 -2.282 25716 4628 1 10 . 1 1 21 21 PRO CA C 21 64.406 64.406 64.193 0.213 25716 4629 1 10 . 1 1 21 21 PRO CB C 21 32.027 32.027 31.903 0.124 25716 4630 1 10 . 1 1 22 22 SER N N 22 114.165 114.165 115.052 -0.887 25716 4631 1 10 . 1 1 22 22 SER HA H 22 4.394 4.394 4.445 -0.051 25716 4632 1 10 . 1 1 22 22 SER C C 22 171.708 171.708 173.416 -1.708 25716 4633 1 10 . 1 1 22 22 SER CA C 22 58.871 58.871 57.971 0.900 25716 4634 1 10 . 1 1 22 22 SER CB C 22 63.473 63.473 62.909 0.564 25716 4635 1 10 . 1 1 22 22 SER H H 22 8.279 8.279 7.971 0.308 25716 4636 1 10 . 1 1 23 23 ALA N N 23 125.151 125.151 124.200 0.951 25716 4637 1 10 . 1 1 23 23 ALA HA H 23 4.250 4.250 4.538 -0.288 25716 4638 1 10 . 1 1 23 23 ALA C C 23 174.903 174.903 175.560 -0.657 25716 4639 1 10 . 1 1 23 23 ALA CA C 23 52.851 52.851 51.417 1.433 25716 4640 1 10 . 1 1 23 23 ALA CB C 23 19.376 19.376 19.789 -0.413 25716 4641 1 10 . 1 1 23 23 ALA H H 23 8.040 8.040 7.379 0.661 25716 4642 1 10 . 1 1 24 24 LYS N N 24 120.823 120.823 122.068 -1.245 25716 4643 1 10 . 1 1 24 24 LYS HA H 24 4.346 4.346 4.298 0.048 25716 4644 1 10 . 1 1 24 24 LYS C C 24 174.522 174.522 178.105 -3.583 25716 4645 1 10 . 1 1 24 24 LYS CA C 24 55.938 55.938 56.102 -0.164 25716 4646 1 10 . 1 1 24 24 LYS CB C 24 33.187 33.187 33.822 -0.634 25716 4647 1 10 . 1 1 24 24 LYS H H 24 8.306 8.306 8.207 0.099 25716 4648 1 10 . 1 1 25 25 GLU N N 25 121.186 121.186 121.648 -0.462 25716 4649 1 10 . 1 1 25 25 GLU HA H 25 4.114 4.114 4.078 0.036 25716 4650 1 10 . 1 1 25 25 GLU C C 25 173.808 173.808 176.997 -3.189 25716 4651 1 10 . 1 1 25 25 GLU CA C 25 58.023 58.023 59.860 -1.837 25716 4652 1 10 . 1 1 25 25 GLU CB C 25 29.769 29.769 29.554 0.215 25716 4653 1 10 . 1 1 25 25 GLU H H 25 8.569 8.569 8.996 -0.427 25716 4654 1 10 . 1 1 26 26 ASP N N 26 117.111 117.111 115.509 1.602 25716 4655 1 10 . 1 1 26 26 ASP HA H 26 4.569 4.569 4.758 -0.189 25716 4656 1 10 . 1 1 26 26 ASP C C 26 173.265 173.265 176.133 -2.868 25716 4657 1 10 . 1 1 26 26 ASP CA C 26 54.061 54.061 54.418 -0.357 25716 4658 1 10 . 1 1 26 26 ASP CB C 26 40.742 40.742 40.529 0.213 25716 4659 1 10 . 1 1 26 26 ASP H H 26 8.139 8.139 8.469 -0.330 25716 4660 1 10 . 1 1 27 27 GLU N N 27 118.932 118.932 119.428 -0.496 25716 4661 1 10 . 1 1 27 27 GLU HA H 27 4.239 4.239 4.402 -0.163 25716 4662 1 10 . 1 1 27 27 GLU C C 27 172.838 172.838 176.120 -3.282 25716 4663 1 10 . 1 1 27 27 GLU CA C 27 56.645 56.645 58.152 -1.507 25716 4664 1 10 . 1 1 27 27 GLU CB C 27 30.703 30.703 30.885 -0.182 25716 4665 1 10 . 1 1 27 27 GLU H H 27 7.859 7.859 7.966 -0.107 25716 4666 1 10 . 1 1 28 28 LEU N N 28 121.726 121.726 120.237 1.489 25716 4667 1 10 . 1 1 28 28 LEU HA H 28 4.570 4.570 4.400 0.170 25716 4668 1 10 . 1 1 28 28 LEU C C 28 172.438 172.438 175.432 -2.994 25716 4669 1 10 . 1 1 28 28 LEU CA C 28 54.503 54.503 53.743 0.760 25716 4670 1 10 . 1 1 28 28 LEU CB C 28 43.342 43.342 41.768 1.574 25716 4671 1 10 . 1 1 28 28 LEU H H 28 7.671 7.671 7.492 0.179 25716 4672 1 10 . 1 1 29 29 ASP N N 29 126.685 126.685 124.909 1.776 25716 4673 1 10 . 1 1 29 29 ASP HA H 29 4.822 4.822 4.820 0.002 25716 4674 1 10 . 1 1 29 29 ASP C C 29 173.732 173.732 176.168 -2.436 25716 4675 1 10 . 1 1 29 29 ASP CA C 29 52.855 52.855 53.062 -0.207 25716 4676 1 10 . 1 1 29 29 ASP CB C 29 43.124 43.124 43.433 -0.309 25716 4677 1 10 . 1 1 29 29 ASP H H 29 8.950 8.950 8.228 0.722 25716 4678 1 10 . 1 1 30 30 ASP N N 30 120.317 120.317 118.000 2.317 25716 4679 1 10 . 1 1 30 30 ASP HA H 30 4.247 4.247 4.419 -0.172 25716 4680 1 10 . 1 1 30 30 ASP C C 30 172.143 172.143 175.862 -3.719 25716 4681 1 10 . 1 1 30 30 ASP CA C 30 57.352 57.352 56.572 0.780 25716 4682 1 10 . 1 1 30 30 ASP CB C 30 40.160 40.160 40.848 -0.688 25716 4683 1 10 . 1 1 30 30 ASP H H 30 8.500 8.500 8.585 -0.085 25716 4684 1 10 . 1 1 31 31 GLN N N 31 111.109 111.109 117.256 -6.147 25716 4685 1 10 . 1 1 31 31 GLN HA H 31 4.590 4.590 4.930 -0.340 25716 4686 1 10 . 1 1 31 31 GLN C C 31 174.343 174.343 174.969 -0.626 25716 4687 1 10 . 1 1 31 31 GLN CA C 31 54.437 54.437 54.900 -0.463 25716 4688 1 10 . 1 1 31 31 GLN CB C 31 30.038 30.038 29.079 0.959 25716 4689 1 10 . 1 1 31 31 GLN H H 31 8.234 8.234 7.963 0.271 25716 4690 1 10 . 1 1 32 32 THR N N 32 123.333 123.333 118.071 5.262 25716 4691 1 10 . 1 1 32 32 THR HA H 32 3.856 3.856 4.353 -0.497 25716 4692 1 10 . 1 1 32 32 THR CA C 32 62.805 62.805 61.080 1.725 25716 4693 1 10 . 1 1 32 32 THR CB C 32 69.907 69.907 69.140 0.767 25716 4694 1 10 . 1 1 32 32 THR H H 32 7.663 7.663 7.359 0.304 25716 4695 1 10 . 1 1 33 33 PRO HA H 33 4.823 4.823 4.727 0.096 25716 4696 1 10 . 1 1 33 33 PRO C C 33 172.190 172.190 176.951 -4.761 25716 4697 1 10 . 1 1 33 33 PRO CA C 33 61.670 61.670 62.532 -0.862 25716 4698 1 10 . 1 1 33 33 PRO CB C 33 29.880 29.880 31.495 -1.615 25716 4699 1 10 . 1 1 34 34 LEU N N 34 126.562 126.562 125.250 1.312 25716 4700 1 10 . 1 1 34 34 LEU HA H 34 3.820 3.820 3.792 0.028 25716 4701 1 10 . 1 1 34 34 LEU C C 34 176.590 176.590 178.601 -2.011 25716 4702 1 10 . 1 1 34 34 LEU CA C 34 57.808 57.808 58.521 -0.713 25716 4703 1 10 . 1 1 34 34 LEU CB C 34 42.569 42.569 41.378 1.191 25716 4704 1 10 . 1 1 34 34 LEU H H 34 7.988 7.988 7.848 0.140 25716 4705 1 10 . 1 1 35 35 LEU N N 35 117.687 117.687 118.812 -1.125 25716 4706 1 10 . 1 1 35 35 LEU HA H 35 4.539 4.539 4.049 0.490 25716 4707 1 10 . 1 1 35 35 LEU C C 35 178.411 178.411 178.780 -0.369 25716 4708 1 10 . 1 1 35 35 LEU CA C 35 56.531 56.531 57.792 -1.261 25716 4709 1 10 . 1 1 35 35 LEU CB C 35 41.338 41.338 41.786 -0.448 25716 4710 1 10 . 1 1 35 35 LEU H H 35 8.184 8.184 7.623 0.561 25716 4711 1 10 . 1 1 36 36 GLU N N 36 121.488 121.488 119.608 1.880 25716 4712 1 10 . 1 1 36 36 GLU HA H 36 4.118 4.118 4.135 -0.017 25716 4713 1 10 . 1 1 36 36 GLU C C 36 175.984 175.984 178.786 -2.802 25716 4714 1 10 . 1 1 36 36 GLU CA C 36 59.264 59.264 58.953 0.311 25716 4715 1 10 . 1 1 36 36 GLU CB C 36 29.608 29.608 29.341 0.267 25716 4716 1 10 . 1 1 36 36 GLU H H 36 7.857 7.857 8.402 -0.545 25716 4717 1 10 . 1 1 37 37 TRP N N 37 115.319 115.319 117.951 -2.632 25716 4718 1 10 . 1 1 37 37 TRP HA H 37 4.950 4.950 4.527 0.423 25716 4719 1 10 . 1 1 37 37 TRP C C 37 174.270 174.270 177.613 -3.343 25716 4720 1 10 . 1 1 37 37 TRP CA C 37 56.075 56.075 57.362 -1.287 25716 4721 1 10 . 1 1 37 37 TRP CB C 37 29.050 29.050 29.576 -0.527 25716 4722 1 10 . 1 1 37 37 TRP H H 37 8.180 8.180 7.871 0.309 25716 4723 1 10 . 1 1 38 38 GLY N N 38 106.793 106.793 106.765 0.028 25716 4724 1 10 . 1 1 38 38 GLY C C 38 171.784 171.784 175.293 -3.509 25716 4725 1 10 . 1 1 38 38 GLY CA C 38 46.275 46.275 45.857 0.418 25716 4726 1 10 . 1 1 38 38 GLY H H 38 7.704 7.704 7.682 0.022 25716 4727 1 10 . 1 1 39 39 ILE N N 39 120.597 120.597 114.217 6.380 25716 4728 1 10 . 1 1 39 39 ILE HA H 39 3.753 3.753 4.125 -0.372 25716 4729 1 10 . 1 1 39 39 ILE C C 39 174.148 174.148 175.775 -1.627 25716 4730 1 10 . 1 1 39 39 ILE CA C 39 63.934 63.934 62.585 1.349 25716 4731 1 10 . 1 1 39 39 ILE CB C 39 38.673 38.673 38.146 0.527 25716 4732 1 10 . 1 1 39 39 ILE H H 39 7.697 7.697 7.500 0.197 25716 4733 1 10 . 1 1 40 40 LEU N N 40 115.102 115.102 121.633 -6.531 25716 4734 1 10 . 1 1 40 40 LEU HA H 40 4.934 4.934 4.463 0.471 25716 4735 1 10 . 1 1 40 40 LEU C C 40 172.286 172.286 175.872 -3.586 25716 4736 1 10 . 1 1 40 40 LEU CA C 40 52.249 52.249 53.711 -1.462 25716 4737 1 10 . 1 1 40 40 LEU CB C 40 43.454 43.454 40.323 3.131 25716 4738 1 10 . 1 1 40 40 LEU H H 40 7.307 7.307 7.846 -0.539 25716 4739 1 10 . 1 1 41 41 ASN N N 41 117.306 117.306 119.458 -2.152 25716 4740 1 10 . 1 1 41 41 ASN HA H 41 4.589 4.589 4.732 -0.143 25716 4741 1 10 . 1 1 41 41 ASN C C 41 171.807 171.807 175.668 -3.861 25716 4742 1 10 . 1 1 41 41 ASN CA C 41 52.017 52.017 53.062 -1.045 25716 4743 1 10 . 1 1 41 41 ASN CB C 41 39.872 39.872 39.887 -0.015 25716 4744 1 10 . 1 1 41 41 ASN H H 41 8.466 8.466 7.713 0.753 25716 4745 1 10 . 1 1 42 42 SER N N 42 113.236 113.236 116.344 -3.108 25716 4746 1 10 . 1 1 42 42 SER HA H 42 4.116 4.116 4.207 -0.091 25716 4747 1 10 . 1 1 42 42 SER C C 42 171.631 171.631 176.679 -5.048 25716 4748 1 10 . 1 1 42 42 SER CA C 42 60.951 60.951 61.779 -0.828 25716 4749 1 10 . 1 1 42 42 SER CB C 42 65.868 65.868 62.936 2.932 25716 4750 1 10 . 1 1 42 42 SER H H 42 9.138 9.138 8.639 0.499 25716 4751 1 10 . 1 1 43 43 MET N N 43 118.797 118.797 119.951 -1.154 25716 4752 1 10 . 1 1 43 43 MET HA H 43 4.467 4.467 4.298 0.169 25716 4753 1 10 . 1 1 43 43 MET CA C 43 57.429 57.429 57.592 -0.163 25716 4754 1 10 . 1 1 43 43 MET CB C 43 32.494 32.494 32.036 0.458 25716 4755 1 10 . 1 1 43 43 MET H H 43 8.292 8.292 8.350 -0.058 25716 4756 1 10 . 1 1 44 44 ASN N N 44 117.701 117.701 117.340 0.361 25716 4757 1 10 . 1 1 44 44 ASN HA H 44 4.686 4.686 4.608 0.078 25716 4758 1 10 . 1 1 44 44 ASN C C 44 175.889 175.889 177.406 -1.517 25716 4759 1 10 . 1 1 44 44 ASN CA C 44 53.826 53.826 55.407 -1.581 25716 4760 1 10 . 1 1 44 44 ASN CB C 44 38.484 38.484 38.669 -0.185 25716 4761 1 10 . 1 1 44 44 ASN H H 44 8.299 8.299 7.839 0.460 25716 4762 1 10 . 1 1 45 45 ILE N N 45 122.124 122.124 121.332 0.792 25716 4763 1 10 . 1 1 45 45 ILE HA H 45 3.783 3.783 3.983 -0.200 25716 4764 1 10 . 1 1 45 45 ILE C C 45 174.370 174.370 177.293 -2.923 25716 4765 1 10 . 1 1 45 45 ILE CA C 45 64.892 64.892 63.859 1.033 25716 4766 1 10 . 1 1 45 45 ILE CB C 45 37.778 37.778 38.179 -0.402 25716 4767 1 10 . 1 1 45 45 ILE H H 45 8.417 8.417 8.073 0.344 25716 4768 1 10 . 1 1 46 46 VAL N N 46 120.176 120.176 116.396 3.780 25716 4769 1 10 . 1 1 46 46 VAL HA H 46 3.714 3.714 3.867 -0.153 25716 4770 1 10 . 1 1 46 46 VAL C C 46 175.129 175.129 177.420 -2.291 25716 4771 1 10 . 1 1 46 46 VAL CA C 46 66.227 66.227 65.693 0.534 25716 4772 1 10 . 1 1 46 46 VAL CB C 46 31.294 31.294 30.520 0.774 25716 4773 1 10 . 1 1 46 46 VAL H H 46 7.394 7.394 7.554 -0.160 25716 4774 1 10 . 1 1 47 47 LYS N N 47 118.640 118.640 119.668 -1.028 25716 4775 1 10 . 1 1 47 47 LYS HA H 47 4.005 4.005 4.218 -0.213 25716 4776 1 10 . 1 1 47 47 LYS CA C 47 60.033 60.033 59.322 0.711 25716 4777 1 10 . 1 1 47 47 LYS CB C 47 32.093 32.093 31.976 0.117 25716 4778 1 10 . 1 1 47 47 LYS H H 47 7.221 7.221 7.343 -0.121 25716 4779 1 10 . 1 1 48 48 LEU N N 48 119.812 119.812 120.018 -0.206 25716 4780 1 10 . 1 1 48 48 LEU HA H 48 4.261 4.261 4.152 0.109 25716 4781 1 10 . 1 1 48 48 LEU C C 48 175.105 175.105 178.717 -3.612 25716 4782 1 10 . 1 1 48 48 LEU CA C 48 57.717 57.717 58.128 -0.411 25716 4783 1 10 . 1 1 48 48 LEU CB C 48 41.683 41.683 41.838 -0.155 25716 4784 1 10 . 1 1 48 48 LEU H H 48 7.812 7.812 7.373 0.439 25716 4785 1 10 . 1 1 49 49 MET N N 49 118.031 118.031 117.629 0.402 25716 4786 1 10 . 1 1 49 49 MET HA H 49 3.919 3.919 4.118 -0.199 25716 4787 1 10 . 1 1 49 49 MET C C 49 176.673 176.673 178.804 -2.131 25716 4788 1 10 . 1 1 49 49 MET CA C 49 60.304 60.304 59.616 0.688 25716 4789 1 10 . 1 1 49 49 MET CB C 49 33.071 33.071 32.442 0.629 25716 4790 1 10 . 1 1 49 49 MET H H 49 8.583 8.583 7.715 0.868 25716 4791 1 10 . 1 1 50 50 VAL N N 50 122.370 122.370 116.318 6.052 25716 4792 1 10 . 1 1 50 50 VAL HA H 50 3.497 3.497 3.823 -0.326 25716 4793 1 10 . 1 1 50 50 VAL C C 50 173.639 173.639 177.258 -3.619 25716 4794 1 10 . 1 1 50 50 VAL CA C 50 67.182 67.182 65.445 1.737 25716 4795 1 10 . 1 1 50 50 VAL CB C 50 31.551 31.551 30.796 0.755 25716 4796 1 10 . 1 1 50 50 VAL H H 50 8.246 8.246 7.846 0.400 25716 4797 1 10 . 1 1 51 51 TYR N N 51 121.444 121.444 122.130 -0.686 25716 4798 1 10 . 1 1 51 51 TYR HA H 51 4.110 4.110 4.038 0.072 25716 4799 1 10 . 1 1 51 51 TYR C C 51 174.688 174.688 177.120 -2.432 25716 4800 1 10 . 1 1 51 51 TYR CA C 51 61.795 61.795 62.264 -0.470 25716 4801 1 10 . 1 1 51 51 TYR CB C 51 38.036 38.036 38.682 -0.646 25716 4802 1 10 . 1 1 51 51 TYR H H 51 7.774 7.774 7.299 0.475 25716 4803 1 10 . 1 1 52 52 ILE N N 52 118.347 118.347 118.352 -0.005 25716 4804 1 10 . 1 1 52 52 ILE HA H 52 3.283 3.283 3.642 -0.359 25716 4805 1 10 . 1 1 52 52 ILE C C 52 175.421 175.421 178.152 -2.731 25716 4806 1 10 . 1 1 52 52 ILE CA C 52 65.477 65.477 64.978 0.499 25716 4807 1 10 . 1 1 52 52 ILE CB C 52 38.703 38.703 37.862 0.841 25716 4808 1 10 . 1 1 52 52 ILE H H 52 8.388 8.388 8.481 -0.093 25716 4809 1 10 . 1 1 53 53 ARG N N 53 121.323 121.323 119.000 2.323 25716 4810 1 10 . 1 1 53 53 ARG HA H 53 3.920 3.920 4.081 -0.161 25716 4811 1 10 . 1 1 53 53 ARG C C 53 176.463 176.463 177.734 -1.271 25716 4812 1 10 . 1 1 53 53 ARG CA C 53 59.458 59.458 59.245 0.213 25716 4813 1 10 . 1 1 53 53 ARG CB C 53 30.296 30.296 29.579 0.717 25716 4814 1 10 . 1 1 53 53 ARG H H 53 7.831 7.831 8.209 -0.378 25716 4815 1 10 . 1 1 54 54 ASP N N 54 119.945 119.945 119.371 0.574 25716 4816 1 10 . 1 1 54 54 ASP HA H 54 4.319 4.319 4.534 -0.215 25716 4817 1 10 . 1 1 54 54 ASP C C 54 175.314 175.314 177.597 -2.283 25716 4818 1 10 . 1 1 54 54 ASP CA C 54 57.126 57.126 56.136 0.990 25716 4819 1 10 . 1 1 54 54 ASP CB C 54 40.074 40.074 41.131 -1.057 25716 4820 1 10 . 1 1 54 54 ASP H H 54 8.760 8.760 7.513 1.247 25716 4821 1 10 . 1 1 55 55 GLU N N 55 117.530 117.530 119.109 -1.579 25716 4822 1 10 . 1 1 55 55 GLU HA H 55 4.239 4.239 3.993 0.246 25716 4823 1 10 . 1 1 55 55 GLU C C 55 175.224 175.224 178.144 -2.920 25716 4824 1 10 . 1 1 55 55 GLU CA C 55 56.852 56.852 58.353 -1.501 25716 4825 1 10 . 1 1 55 55 GLU CB C 55 29.329 29.329 29.554 -0.225 25716 4826 1 10 . 1 1 55 55 GLU H H 55 8.701 8.701 8.019 0.682 25716 4827 1 10 . 1 1 56 56 MET N N 56 113.874 113.874 115.943 -2.069 25716 4828 1 10 . 1 1 56 56 MET HA H 56 4.566 4.566 4.443 0.123 25716 4829 1 10 . 1 1 56 56 MET C C 56 173.968 173.968 177.025 -3.057 25716 4830 1 10 . 1 1 56 56 MET CA C 56 55.539 55.539 54.278 1.261 25716 4831 1 10 . 1 1 56 56 MET CB C 56 34.094 34.094 33.523 0.571 25716 4832 1 10 . 1 1 56 56 MET H H 56 7.464 7.464 7.837 -0.373 25716 4833 1 10 . 1 1 57 57 GLY N N 57 107.900 107.900 106.166 1.734 25716 4834 1 10 . 1 1 57 57 GLY C C 57 171.496 171.496 174.019 -2.523 25716 4835 1 10 . 1 1 57 57 GLY CA C 57 46.561 46.561 45.206 1.355 25716 4836 1 10 . 1 1 57 57 GLY H H 57 7.291 7.291 7.923 -0.632 25716 4837 1 10 . 1 1 58 58 VAL N N 58 117.126 117.126 121.254 -4.128 25716 4838 1 10 . 1 1 58 58 VAL HA H 58 4.283 4.283 4.259 0.024 25716 4839 1 10 . 1 1 58 58 VAL C C 58 171.116 171.116 174.932 -3.816 25716 4840 1 10 . 1 1 58 58 VAL CA C 58 60.487 60.487 60.776 -0.290 25716 4841 1 10 . 1 1 58 58 VAL CB C 58 34.837 34.837 33.050 1.787 25716 4842 1 10 . 1 1 58 58 VAL H H 58 6.970 6.970 7.506 -0.536 25716 4843 1 10 . 1 1 59 59 SER N N 59 122.188 122.188 121.861 0.327 25716 4844 1 10 . 1 1 59 59 SER HA H 59 4.432 4.432 4.437 -0.005 25716 4845 1 10 . 1 1 59 59 SER C C 59 170.766 170.766 174.434 -3.668 25716 4846 1 10 . 1 1 59 59 SER CA C 59 56.563 56.563 57.915 -1.352 25716 4847 1 10 . 1 1 59 59 SER CB C 59 63.106 63.106 64.076 -0.970 25716 4848 1 10 . 1 1 59 59 SER H H 59 8.609 8.609 8.319 0.290 25716 4849 1 10 . 1 1 60 60 ILE N N 60 128.230 128.230 124.910 3.320 25716 4850 1 10 . 1 1 60 60 ILE HA H 60 4.033 4.033 4.404 -0.371 25716 4851 1 10 . 1 1 60 60 ILE CA C 60 58.127 58.127 58.179 -0.052 25716 4852 1 10 . 1 1 60 60 ILE CB C 60 38.217 38.217 38.166 0.051 25716 4853 1 10 . 1 1 60 60 ILE H H 60 8.257 8.257 8.247 0.010 25716 4854 1 10 . 1 1 61 61 PRO HA H 61 4.501 4.501 4.689 -0.188 25716 4855 1 10 . 1 1 61 61 PRO CA C 61 62.352 62.352 62.425 -0.073 25716 4856 1 10 . 1 1 61 61 PRO CB C 61 32.469 32.469 32.752 -0.283 25716 4857 1 10 . 1 1 62 62 SER HA H 62 4.058 4.058 4.176 -0.118 25716 4858 1 10 . 1 1 62 62 SER C C 62 173.269 173.269 176.467 -3.198 25716 4859 1 10 . 1 1 62 62 SER CA C 62 61.511 61.511 61.144 0.367 25716 4860 1 10 . 1 1 62 62 SER CB C 62 62.646 62.646 62.670 -0.024 25716 4861 1 10 . 1 1 63 63 THR N N 63 110.178 110.178 115.622 -5.444 25716 4862 1 10 . 1 1 63 63 THR HA H 63 4.066 4.066 4.266 -0.200 25716 4863 1 10 . 1 1 63 63 THR C C 63 172.917 172.917 175.257 -2.340 25716 4864 1 10 . 1 1 63 63 THR CA C 63 63.007 63.007 63.587 -0.581 25716 4865 1 10 . 1 1 63 63 THR CB C 63 69.323 69.323 68.663 0.660 25716 4866 1 10 . 1 1 63 63 THR H H 63 7.307 7.307 8.273 -0.966 25716 4867 1 10 . 1 1 64 64 HIS N N 64 121.862 121.862 119.314 2.548 25716 4868 1 10 . 1 1 64 64 HIS HA H 64 4.495 4.495 4.754 -0.259 25716 4869 1 10 . 1 1 64 64 HIS C C 64 171.495 171.495 174.397 -2.902 25716 4870 1 10 . 1 1 64 64 HIS CA C 64 56.203 56.203 55.846 0.357 25716 4871 1 10 . 1 1 64 64 HIS CB C 64 29.814 29.814 30.732 -0.918 25716 4872 1 10 . 1 1 64 64 HIS H H 64 8.132 8.132 7.662 0.470 25716 4873 1 10 . 1 1 65 65 ILE N N 65 118.536 118.536 121.964 -3.428 25716 4874 1 10 . 1 1 65 65 ILE HA H 65 4.165 4.165 4.102 0.063 25716 4875 1 10 . 1 1 65 65 ILE C C 65 172.049 172.049 175.630 -3.581 25716 4876 1 10 . 1 1 65 65 ILE CA C 65 60.576 60.576 60.031 0.545 25716 4877 1 10 . 1 1 65 65 ILE CB C 65 35.561 35.561 35.590 -0.029 25716 4878 1 10 . 1 1 65 65 ILE H H 65 7.223 7.223 7.284 -0.061 25716 4879 1 10 . 1 1 66 66 THR N N 66 114.529 114.529 121.706 -7.177 25716 4880 1 10 . 1 1 66 66 THR HA H 66 4.635 4.635 4.619 0.016 25716 4881 1 10 . 1 1 66 66 THR C C 66 172.176 172.176 174.957 -2.781 25716 4882 1 10 . 1 1 66 66 THR CA C 66 59.827 59.827 60.591 -0.764 25716 4883 1 10 . 1 1 66 66 THR CB C 66 70.679 70.679 72.171 -1.492 25716 4884 1 10 . 1 1 66 66 THR H H 66 7.943 7.943 8.052 -0.109 25716 4885 1 10 . 1 1 67 67 GLY N N 67 109.454 109.454 110.261 -0.807 25716 4886 1 10 . 1 1 67 67 GLY C C 67 172.080 172.080 174.538 -2.458 25716 4887 1 10 . 1 1 67 67 GLY CA C 67 47.245 47.245 45.859 1.386 25716 4888 1 10 . 1 1 67 67 GLY H H 67 8.736 8.736 8.741 -0.005 25716 4889 1 10 . 1 1 68 68 LYS N N 68 118.551 118.551 120.790 -2.239 25716 4890 1 10 . 1 1 68 68 LYS HA H 68 3.851 3.851 4.134 -0.283 25716 4891 1 10 . 1 1 68 68 LYS C C 68 174.455 174.455 176.897 -2.442 25716 4892 1 10 . 1 1 68 68 LYS CA C 68 58.697 58.697 57.935 0.762 25716 4893 1 10 . 1 1 68 68 LYS CB C 68 32.350 32.350 32.822 -0.472 25716 4894 1 10 . 1 1 68 68 LYS H H 68 7.968 7.968 7.461 0.507 25716 4895 1 10 . 1 1 69 69 TYR N N 69 115.203 115.203 116.073 -0.870 25716 4896 1 10 . 1 1 69 69 TYR HA H 69 4.213 4.213 4.504 -0.291 25716 4897 1 10 . 1 1 69 69 TYR C C 69 171.772 171.772 177.882 -6.110 25716 4898 1 10 . 1 1 69 69 TYR CA C 69 59.212 59.212 59.410 -0.198 25716 4899 1 10 . 1 1 69 69 TYR CB C 69 38.555 38.555 39.559 -1.004 25716 4900 1 10 . 1 1 69 69 TYR H H 69 6.826 6.826 7.448 -0.622 25716 4901 1 10 . 1 1 70 70 PHE N N 70 112.140 112.140 116.506 -4.366 25716 4902 1 10 . 1 1 70 70 PHE HA H 70 4.629 4.629 4.617 0.012 25716 4903 1 10 . 1 1 70 70 PHE C C 70 171.998 171.998 176.469 -4.471 25716 4904 1 10 . 1 1 70 70 PHE CA C 70 57.245 57.245 59.090 -1.845 25716 4905 1 10 . 1 1 70 70 PHE CB C 70 40.329 40.329 38.030 2.299 25716 4906 1 10 . 1 1 70 70 PHE H H 70 7.327 7.327 8.526 -1.199 25716 4907 1 10 . 1 1 71 71 LYS N N 71 113.603 113.603 118.490 -4.887 25716 4908 1 10 . 1 1 71 71 LYS HA H 71 3.875 3.875 4.088 -0.213 25716 4909 1 10 . 1 1 71 71 LYS C C 71 172.963 172.963 176.161 -3.198 25716 4910 1 10 . 1 1 71 71 LYS CA C 71 59.667 59.667 58.228 1.439 25716 4911 1 10 . 1 1 71 71 LYS CB C 71 33.074 33.074 32.762 0.312 25716 4912 1 10 . 1 1 71 71 LYS H H 71 6.925 6.925 7.998 -1.073 25716 4913 1 10 . 1 1 72 72 ASP N N 72 110.434 110.434 117.037 -6.603 25716 4914 1 10 . 1 1 72 72 ASP HA H 72 4.441 4.441 4.875 -0.434 25716 4915 1 10 . 1 1 72 72 ASP C C 72 172.750 172.750 175.423 -2.673 25716 4916 1 10 . 1 1 72 72 ASP CA C 72 52.378 52.378 52.882 -0.504 25716 4917 1 10 . 1 1 72 72 ASP CB C 72 42.426 42.426 44.038 -1.612 25716 4918 1 10 . 1 1 72 72 ASP H H 72 7.363 7.363 7.424 -0.061 25716 4919 1 10 . 1 1 73 73 LEU N N 73 120.273 120.273 122.286 -2.013 25716 4920 1 10 . 1 1 73 73 LEU HA H 73 3.920 3.920 4.151 -0.231 25716 4921 1 10 . 1 1 73 73 LEU C C 73 176.648 176.648 177.751 -1.103 25716 4922 1 10 . 1 1 73 73 LEU CA C 73 58.120 58.120 56.622 1.498 25716 4923 1 10 . 1 1 73 73 LEU CB C 73 42.574 42.574 42.391 0.183 25716 4924 1 10 . 1 1 73 73 LEU H H 73 9.983 9.983 8.774 1.209 25716 4925 1 10 . 1 1 74 74 ASN N N 74 119.506 119.506 118.217 1.289 25716 4926 1 10 . 1 1 74 74 ASN HA H 74 4.405 4.405 4.438 -0.033 25716 4927 1 10 . 1 1 74 74 ASN C C 74 174.659 174.659 176.852 -2.193 25716 4928 1 10 . 1 1 74 74 ASN CA C 74 56.287 56.287 56.658 -0.371 25716 4929 1 10 . 1 1 74 74 ASN CB C 74 37.579 37.579 38.124 -0.545 25716 4930 1 10 . 1 1 74 74 ASN H H 74 7.893 7.893 7.947 -0.054 25716 4931 1 10 . 1 1 75 75 ALA N N 75 125.068 125.068 122.111 2.957 25716 4932 1 10 . 1 1 75 75 ALA HA H 75 4.097 4.097 4.232 -0.135 25716 4933 1 10 . 1 1 75 75 ALA C C 75 177.809 177.809 179.704 -1.895 25716 4934 1 10 . 1 1 75 75 ALA CA C 75 55.365 55.365 54.302 1.063 25716 4935 1 10 . 1 1 75 75 ALA CB C 75 18.572 18.572 18.434 0.138 25716 4936 1 10 . 1 1 75 75 ALA H H 75 8.951 8.951 7.921 1.030 25716 4937 1 10 . 1 1 76 76 ILE N N 76 119.561 119.561 118.717 0.844 25716 4938 1 10 . 1 1 76 76 ILE HA H 76 3.615 3.615 3.265 0.350 25716 4939 1 10 . 1 1 76 76 ILE C C 76 175.344 175.344 177.372 -2.028 25716 4940 1 10 . 1 1 76 76 ILE CA C 76 65.272 65.272 64.713 0.559 25716 4941 1 10 . 1 1 76 76 ILE CB C 76 39.056 39.056 37.747 1.309 25716 4942 1 10 . 1 1 76 76 ILE H H 76 8.386 8.386 8.065 0.321 25716 4943 1 10 . 1 1 77 77 SER N N 77 114.090 114.090 115.496 -1.406 25716 4944 1 10 . 1 1 77 77 SER HA H 77 3.878 3.878 4.156 -0.278 25716 4945 1 10 . 1 1 77 77 SER C C 77 173.592 173.592 176.288 -2.696 25716 4946 1 10 . 1 1 77 77 SER CA C 77 62.733 62.733 61.181 1.552 25716 4947 1 10 . 1 1 77 77 SER CB C 77 62.864 62.864 62.846 0.018 25716 4948 1 10 . 1 1 77 77 SER H H 77 8.250 8.250 7.905 0.345 25716 4949 1 10 . 1 1 78 78 ARG N N 78 121.670 121.670 118.990 2.680 25716 4950 1 10 . 1 1 78 78 ARG HA H 78 4.129 4.129 4.115 0.014 25716 4951 1 10 . 1 1 78 78 ARG C C 78 176.111 176.111 178.478 -2.367 25716 4952 1 10 . 1 1 78 78 ARG CA C 78 59.328 59.328 59.390 -0.062 25716 4953 1 10 . 1 1 78 78 ARG CB C 78 29.814 29.814 29.543 0.271 25716 4954 1 10 . 1 1 78 78 ARG H H 78 8.086 8.086 8.058 0.028 25716 4955 1 10 . 1 1 79 79 THR N N 79 118.928 118.928 114.130 4.798 25716 4956 1 10 . 1 1 79 79 THR HA H 79 4.525 4.525 4.167 0.358 25716 4957 1 10 . 1 1 79 79 THR C C 79 173.364 173.364 175.892 -2.528 25716 4958 1 10 . 1 1 79 79 THR CA C 79 68.289 68.289 64.439 3.850 25716 4959 1 10 . 1 1 79 79 THR CB C 79 67.268 67.268 68.412 -1.144 25716 4960 1 10 . 1 1 79 79 THR H H 79 8.351 8.351 7.391 0.960 25716 4961 1 10 . 1 1 80 80 VAL N N 80 120.643 120.643 122.549 -1.906 25716 4962 1 10 . 1 1 80 80 VAL HA H 80 3.339 3.339 3.500 -0.161 25716 4963 1 10 . 1 1 80 80 VAL C C 80 174.438 174.438 177.704 -3.266 25716 4964 1 10 . 1 1 80 80 VAL CA C 80 67.603 67.603 67.086 0.517 25716 4965 1 10 . 1 1 80 80 VAL CB C 80 31.532 31.532 31.630 -0.098 25716 4966 1 10 . 1 1 80 80 VAL H H 80 8.242 8.242 7.953 0.289 25716 4967 1 10 . 1 1 81 81 GLU N N 81 118.067 118.067 117.207 0.860 25716 4968 1 10 . 1 1 81 81 GLU HA H 81 3.943 3.943 4.003 -0.060 25716 4969 1 10 . 1 1 81 81 GLU C C 81 176.961 176.961 179.008 -2.047 25716 4970 1 10 . 1 1 81 81 GLU CA C 81 59.974 59.974 58.903 1.071 25716 4971 1 10 . 1 1 81 81 GLU CB C 81 29.817 29.817 28.925 0.892 25716 4972 1 10 . 1 1 81 81 GLU H H 81 8.296 8.296 7.881 0.415 25716 4973 1 10 . 1 1 82 82 GLN N N 82 119.947 119.947 120.082 -0.135 25716 4974 1 10 . 1 1 82 82 GLN HA H 82 4.110 4.110 4.148 -0.038 25716 4975 1 10 . 1 1 82 82 GLN C C 82 176.023 176.023 178.342 -2.319 25716 4976 1 10 . 1 1 82 82 GLN CA C 82 58.991 58.991 58.119 0.872 25716 4977 1 10 . 1 1 82 82 GLN CB C 82 28.136 28.136 28.214 -0.078 25716 4978 1 10 . 1 1 82 82 GLN H H 82 8.444 8.444 7.537 0.907 25716 4979 1 10 . 1 1 83 83 LEU N N 83 119.916 119.916 119.725 0.191 25716 4980 1 10 . 1 1 83 83 LEU HA H 83 4.075 4.075 4.073 0.002 25716 4981 1 10 . 1 1 83 83 LEU C C 83 177.753 177.753 179.149 -1.396 25716 4982 1 10 . 1 1 83 83 LEU CA C 83 57.453 57.453 57.151 0.302 25716 4983 1 10 . 1 1 83 83 LEU CB C 83 41.673 41.673 41.395 0.278 25716 4984 1 10 . 1 1 83 83 LEU H H 83 8.149 8.149 8.210 -0.061 25716 4985 1 10 . 1 1 84 84 LYS N N 84 121.059 121.059 120.050 1.009 25716 4986 1 10 . 1 1 84 84 LYS HA H 84 3.951 3.951 3.911 0.040 25716 4987 1 10 . 1 1 84 84 LYS C C 84 176.055 176.055 178.642 -2.587 25716 4988 1 10 . 1 1 84 84 LYS CA C 84 59.328 59.328 59.609 -0.281 25716 4989 1 10 . 1 1 84 84 LYS CB C 84 32.291 32.291 32.251 0.041 25716 4990 1 10 . 1 1 84 84 LYS H H 84 8.373 8.373 7.884 0.489 25716 4991 1 10 . 1 1 85 85 ALA N N 85 122.134 122.134 120.635 1.499 25716 4992 1 10 . 1 1 85 85 ALA HA H 85 4.188 4.188 4.160 0.028 25716 4993 1 10 . 1 1 85 85 ALA C C 85 177.240 177.240 179.637 -2.397 25716 4994 1 10 . 1 1 85 85 ALA CA C 85 54.423 54.423 54.655 -0.232 25716 4995 1 10 . 1 1 85 85 ALA CB C 85 18.193 18.193 18.267 -0.074 25716 4996 1 10 . 1 1 85 85 ALA H H 85 7.854 7.854 7.427 0.427 25716 4997 1 10 . 1 1 86 86 GLU N N 86 117.813 117.813 117.960 -0.147 25716 4998 1 10 . 1 1 86 86 GLU HA H 86 4.115 4.115 4.042 0.073 25716 4999 1 10 . 1 1 86 86 GLU C C 86 175.547 175.547 179.251 -3.704 25716 5000 1 10 . 1 1 86 86 GLU CA C 86 58.199 58.199 58.675 -0.476 25716 5001 1 10 . 1 1 86 86 GLU CB C 86 29.841 29.841 29.713 0.128 25716 5002 1 10 . 1 1 86 86 GLU H H 86 8.059 8.059 7.865 0.194 25716 5003 1 10 . 1 1 87 87 SER N N 87 114.771 114.771 115.831 -1.060 25716 5004 1 10 . 1 1 87 87 SER HA H 87 4.362 4.362 4.232 0.130 25716 5005 1 10 . 1 1 87 87 SER C C 87 172.405 172.405 175.795 -3.390 25716 5006 1 10 . 1 1 87 87 SER CA C 87 59.806 59.806 60.882 -1.076 25716 5007 1 10 . 1 1 87 87 SER CB C 87 63.528 63.528 62.629 0.899 25716 5008 1 10 . 1 1 87 87 SER H H 87 7.908 7.908 8.188 -0.280 25716 5009 1 10 . 1 1 88 88 ALA N N 88 124.277 124.277 123.734 0.543 25716 5010 1 10 . 1 1 88 88 ALA HA H 88 4.284 4.284 4.168 0.116 25716 5011 1 10 . 1 1 88 88 ALA C C 88 175.489 175.489 178.510 -3.021 25716 5012 1 10 . 1 1 88 88 ALA CA C 88 53.087 53.087 54.473 -1.386 25716 5013 1 10 . 1 1 88 88 ALA CB C 88 18.792 18.792 18.465 0.327 25716 5014 1 10 . 1 1 88 88 ALA H H 88 7.812 7.812 7.548 0.264 25716 5015 1 10 . 1 1 89 89 LEU N N 89 119.411 119.411 119.383 0.028 25716 5016 1 10 . 1 1 89 89 LEU HA H 89 4.219 4.219 4.174 0.045 25716 5017 1 10 . 1 1 89 89 LEU C C 89 175.025 175.025 177.853 -2.828 25716 5018 1 10 . 1 1 89 89 LEU CA C 89 55.608 55.608 56.309 -0.702 25716 5019 1 10 . 1 1 89 89 LEU CB C 89 42.213 42.213 41.914 0.299 25716 5020 1 10 . 1 1 89 89 LEU H H 89 7.769 7.769 7.692 0.077 25716 5021 1 11 . 1 1 2 2 ASP HA H 2 4.704 4.704 4.676 0.028 25716 5022 1 11 . 1 1 2 2 ASP C C 2 173.822 173.822 177.390 -3.568 25716 5023 1 11 . 1 1 2 2 ASP CA C 2 54.130 54.130 55.142 -1.012 25716 5024 1 11 . 1 1 2 2 ASP CB C 2 41.601 41.601 41.530 0.071 25716 5025 1 11 . 1 1 3 3 GLY N N 3 109.376 109.376 108.365 1.011 25716 5026 1 11 . 1 1 3 3 GLY C C 3 172.786 172.786 175.827 -3.041 25716 5027 1 11 . 1 1 3 3 GLY CA C 3 46.704 46.704 46.791 -0.087 25716 5028 1 11 . 1 1 3 3 GLY H H 3 8.712 8.712 7.961 0.751 25716 5029 1 11 . 1 1 4 4 GLU N N 4 120.623 120.623 123.698 -3.075 25716 5030 1 11 . 1 1 4 4 GLU HA H 4 4.207 4.207 4.036 0.171 25716 5031 1 11 . 1 1 4 4 GLU C C 4 175.198 175.198 177.832 -2.634 25716 5032 1 11 . 1 1 4 4 GLU CA C 4 58.159 58.159 58.273 -0.114 25716 5033 1 11 . 1 1 4 4 GLU CB C 4 29.793 29.793 29.345 0.448 25716 5034 1 11 . 1 1 4 4 GLU H H 4 8.280 8.280 8.160 0.120 25716 5035 1 11 . 1 1 5 5 GLU N N 5 121.684 121.684 119.619 2.065 25716 5036 1 11 . 1 1 5 5 GLU HA H 5 4.173 4.173 4.167 0.006 25716 5037 1 11 . 1 1 5 5 GLU C C 5 175.720 175.720 178.721 -3.001 25716 5038 1 11 . 1 1 5 5 GLU CA C 5 58.648 58.648 58.500 0.148 25716 5039 1 11 . 1 1 5 5 GLU CB C 5 29.819 29.819 29.422 0.397 25716 5040 1 11 . 1 1 5 5 GLU H H 5 8.254 8.254 7.543 0.711 25716 5041 1 11 . 1 1 6 6 VAL N N 6 120.195 120.195 119.913 0.282 25716 5042 1 11 . 1 1 6 6 VAL HA H 6 3.594 3.594 3.687 -0.093 25716 5043 1 11 . 1 1 6 6 VAL C C 6 174.638 174.638 177.884 -3.246 25716 5044 1 11 . 1 1 6 6 VAL CA C 6 66.621 66.621 66.085 0.536 25716 5045 1 11 . 1 1 6 6 VAL CB C 6 32.041 32.041 31.290 0.751 25716 5046 1 11 . 1 1 6 6 VAL H H 6 8.137 8.137 7.462 0.675 25716 5047 1 11 . 1 1 7 7 LYS N N 7 118.688 118.688 119.622 -0.934 25716 5048 1 11 . 1 1 7 7 LYS HA H 7 3.776 3.776 3.955 -0.179 25716 5049 1 11 . 1 1 7 7 LYS C C 7 175.192 175.192 178.945 -3.753 25716 5050 1 11 . 1 1 7 7 LYS CA C 7 60.903 60.903 60.478 0.425 25716 5051 1 11 . 1 1 7 7 LYS CB C 7 32.251 32.251 32.071 0.180 25716 5052 1 11 . 1 1 7 7 LYS H H 7 8.099 8.099 7.458 0.641 25716 5053 1 11 . 1 1 8 8 GLU N N 8 117.138 117.138 119.026 -1.888 25716 5054 1 11 . 1 1 8 8 GLU HA H 8 4.188 4.188 4.002 0.186 25716 5055 1 11 . 1 1 8 8 GLU C C 8 176.405 176.405 178.627 -2.222 25716 5056 1 11 . 1 1 8 8 GLU CA C 8 58.635 58.635 59.342 -0.707 25716 5057 1 11 . 1 1 8 8 GLU CB C 8 29.149 29.149 29.399 -0.251 25716 5058 1 11 . 1 1 8 8 GLU H H 8 7.875 7.875 7.959 -0.084 25716 5059 1 11 . 1 1 9 9 LYS N N 9 119.639 119.639 119.787 -0.148 25716 5060 1 11 . 1 1 9 9 LYS HA H 9 4.072 4.072 4.140 -0.068 25716 5061 1 11 . 1 1 9 9 LYS C C 9 177.376 177.376 179.267 -1.891 25716 5062 1 11 . 1 1 9 9 LYS CA C 9 59.994 59.994 59.717 0.277 25716 5063 1 11 . 1 1 9 9 LYS CB C 9 32.471 32.471 32.605 -0.134 25716 5064 1 11 . 1 1 9 9 LYS H H 9 8.102 8.102 7.528 0.574 25716 5065 1 11 . 1 1 10 10 ILE N N 10 119.456 119.456 118.630 0.826 25716 5066 1 11 . 1 1 10 10 ILE HA H 10 3.713 3.713 3.685 0.028 25716 5067 1 11 . 1 1 10 10 ILE C C 10 174.153 174.153 177.903 -3.750 25716 5068 1 11 . 1 1 10 10 ILE CA C 10 65.549 65.549 64.759 0.790 25716 5069 1 11 . 1 1 10 10 ILE CB C 10 37.522 37.522 37.954 -0.432 25716 5070 1 11 . 1 1 10 10 ILE H H 10 8.210 8.210 8.050 0.160 25716 5071 1 11 . 1 1 11 11 ARG N N 11 121.172 121.172 119.355 1.817 25716 5072 1 11 . 1 1 11 11 ARG HA H 11 3.608 3.608 4.000 -0.392 25716 5073 1 11 . 1 1 11 11 ARG C C 11 174.925 174.925 178.280 -3.355 25716 5074 1 11 . 1 1 11 11 ARG CA C 11 60.617 60.617 58.931 1.685 25716 5075 1 11 . 1 1 11 11 ARG CB C 11 30.480 30.480 29.237 1.243 25716 5076 1 11 . 1 1 11 11 ARG H H 11 8.851 8.851 8.351 0.500 25716 5077 1 11 . 1 1 12 12 ARG N N 12 116.578 116.578 120.372 -3.794 25716 5078 1 11 . 1 1 12 12 ARG HA H 12 3.935 3.935 4.110 -0.175 25716 5079 1 11 . 1 1 12 12 ARG C C 12 174.817 174.817 178.378 -3.561 25716 5080 1 11 . 1 1 12 12 ARG CA C 12 59.162 59.162 58.731 0.431 25716 5081 1 11 . 1 1 12 12 ARG CB C 12 29.476 29.476 29.514 -0.038 25716 5082 1 11 . 1 1 12 12 ARG H H 12 8.126 8.126 7.699 0.427 25716 5083 1 11 . 1 1 13 13 TYR N N 13 119.994 119.994 120.536 -0.542 25716 5084 1 11 . 1 1 13 13 TYR HA H 13 4.047 4.047 4.146 -0.099 25716 5085 1 11 . 1 1 13 13 TYR C C 13 175.273 175.273 177.948 -2.675 25716 5086 1 11 . 1 1 13 13 TYR CA C 13 61.856 61.856 60.861 0.995 25716 5087 1 11 . 1 1 13 13 TYR CB C 13 38.459 38.459 37.743 0.716 25716 5088 1 11 . 1 1 13 13 TYR H H 13 7.758 7.758 7.547 0.211 25716 5089 1 11 . 1 1 14 14 ILE N N 14 117.754 117.754 119.627 -1.873 25716 5090 1 11 . 1 1 14 14 ILE HA H 14 3.239 3.239 3.442 -0.203 25716 5091 1 11 . 1 1 14 14 ILE C C 14 175.425 175.425 177.388 -1.963 25716 5092 1 11 . 1 1 14 14 ILE CA C 14 65.826 65.826 65.645 0.181 25716 5093 1 11 . 1 1 14 14 ILE CB C 14 37.782 37.782 37.671 0.111 25716 5094 1 11 . 1 1 14 14 ILE H H 14 8.464 8.464 7.925 0.539 25716 5095 1 11 . 1 1 15 15 MET N N 15 116.173 116.173 117.370 -1.197 25716 5096 1 11 . 1 1 15 15 MET HA H 15 3.939 3.939 4.105 -0.166 25716 5097 1 11 . 1 1 15 15 MET C C 15 174.676 174.676 177.797 -3.121 25716 5098 1 11 . 1 1 15 15 MET CA C 15 59.276 59.276 58.921 0.355 25716 5099 1 11 . 1 1 15 15 MET CB C 15 32.885 32.885 32.315 0.570 25716 5100 1 11 . 1 1 15 15 MET H H 15 8.265 8.265 7.307 0.958 25716 5101 1 11 . 1 1 16 16 GLU N N 16 116.398 116.398 116.666 -0.268 25716 5102 1 11 . 1 1 16 16 GLU HA H 16 3.980 3.980 4.092 -0.112 25716 5103 1 11 . 1 1 16 16 GLU C C 16 175.158 175.158 177.988 -2.830 25716 5104 1 11 . 1 1 16 16 GLU CA C 16 58.767 58.767 58.044 0.723 25716 5105 1 11 . 1 1 16 16 GLU CB C 16 30.078 30.078 29.835 0.243 25716 5106 1 11 . 1 1 16 16 GLU H H 16 8.619 8.619 7.656 0.963 25716 5107 1 11 . 1 1 17 17 ASP N N 17 116.973 116.973 118.131 -1.158 25716 5108 1 11 . 1 1 17 17 ASP HA H 17 4.591 4.591 4.493 0.098 25716 5109 1 11 . 1 1 17 17 ASP C C 17 174.240 174.240 178.205 -3.965 25716 5110 1 11 . 1 1 17 17 ASP CA C 17 55.438 55.438 55.775 -0.337 25716 5111 1 11 . 1 1 17 17 ASP CB C 17 42.657 42.657 41.092 1.565 25716 5112 1 11 . 1 1 17 17 ASP H H 17 8.119 8.119 7.735 0.384 25716 5113 1 11 . 1 1 18 18 LEU N N 18 115.667 115.667 120.460 -4.793 25716 5114 1 11 . 1 1 18 18 LEU HA H 18 4.488 4.488 4.074 0.414 25716 5115 1 11 . 1 1 18 18 LEU C C 18 175.062 175.062 177.845 -2.783 25716 5116 1 11 . 1 1 18 18 LEU CA C 18 56.075 56.075 57.217 -1.142 25716 5117 1 11 . 1 1 18 18 LEU CB C 18 41.096 41.096 42.497 -1.401 25716 5118 1 11 . 1 1 18 18 LEU H H 18 7.162 7.162 7.240 -0.078 25716 5119 1 11 . 1 1 19 19 ILE N N 19 120.763 120.763 116.349 4.414 25716 5120 1 11 . 1 1 19 19 ILE HA H 19 3.979 3.979 4.209 -0.230 25716 5121 1 11 . 1 1 19 19 ILE C C 19 174.557 174.557 176.186 -1.629 25716 5122 1 11 . 1 1 19 19 ILE CA C 19 63.809 63.809 60.986 2.823 25716 5123 1 11 . 1 1 19 19 ILE CB C 19 38.044 38.044 39.155 -1.111 25716 5124 1 11 . 1 1 19 19 ILE H H 19 8.017 8.017 7.993 0.024 25716 5125 1 11 . 1 1 20 20 GLY N N 20 108.619 108.619 110.372 -1.753 25716 5126 1 11 . 1 1 20 20 GLY CA C 20 44.560 44.560 45.190 -0.630 25716 5127 1 11 . 1 1 20 20 GLY H H 20 8.126 8.126 8.439 -0.313 25716 5128 1 11 . 1 1 21 21 PRO HA H 21 4.385 4.385 4.432 -0.047 25716 5129 1 11 . 1 1 21 21 PRO C C 21 174.855 174.855 177.061 -2.206 25716 5130 1 11 . 1 1 21 21 PRO CA C 21 64.406 64.406 64.079 0.327 25716 5131 1 11 . 1 1 21 21 PRO CB C 21 32.027 32.027 31.930 0.097 25716 5132 1 11 . 1 1 22 22 SER N N 22 114.165 114.165 114.216 -0.051 25716 5133 1 11 . 1 1 22 22 SER HA H 22 4.394 4.394 4.402 -0.008 25716 5134 1 11 . 1 1 22 22 SER C C 22 171.708 171.708 173.745 -2.037 25716 5135 1 11 . 1 1 22 22 SER CA C 22 58.871 58.871 57.970 0.901 25716 5136 1 11 . 1 1 22 22 SER CB C 22 63.473 63.473 62.908 0.565 25716 5137 1 11 . 1 1 22 22 SER H H 22 8.279 8.279 8.024 0.255 25716 5138 1 11 . 1 1 23 23 ALA N N 23 125.151 125.151 123.453 1.698 25716 5139 1 11 . 1 1 23 23 ALA HA H 23 4.250 4.250 4.593 -0.343 25716 5140 1 11 . 1 1 23 23 ALA C C 23 174.903 174.903 176.166 -1.263 25716 5141 1 11 . 1 1 23 23 ALA CA C 23 52.851 52.851 51.515 1.336 25716 5142 1 11 . 1 1 23 23 ALA CB C 23 19.376 19.376 19.589 -0.213 25716 5143 1 11 . 1 1 23 23 ALA H H 23 8.040 8.040 7.275 0.765 25716 5144 1 11 . 1 1 24 24 LYS N N 24 120.823 120.823 121.120 -0.297 25716 5145 1 11 . 1 1 24 24 LYS HA H 24 4.346 4.346 4.304 0.042 25716 5146 1 11 . 1 1 24 24 LYS C C 24 174.522 174.522 177.929 -3.407 25716 5147 1 11 . 1 1 24 24 LYS CA C 24 55.938 55.938 55.121 0.817 25716 5148 1 11 . 1 1 24 24 LYS CB C 24 33.187 33.187 32.894 0.293 25716 5149 1 11 . 1 1 24 24 LYS H H 24 8.306 8.306 7.895 0.411 25716 5150 1 11 . 1 1 25 25 GLU N N 25 121.186 121.186 120.198 0.988 25716 5151 1 11 . 1 1 25 25 GLU HA H 25 4.114 4.114 4.060 0.054 25716 5152 1 11 . 1 1 25 25 GLU C C 25 173.808 173.808 176.139 -2.331 25716 5153 1 11 . 1 1 25 25 GLU CA C 25 58.023 58.023 58.855 -0.832 25716 5154 1 11 . 1 1 25 25 GLU CB C 25 29.769 29.769 29.824 -0.055 25716 5155 1 11 . 1 1 25 25 GLU H H 25 8.569 8.569 8.881 -0.312 25716 5156 1 11 . 1 1 26 26 ASP N N 26 117.111 117.111 115.339 1.772 25716 5157 1 11 . 1 1 26 26 ASP HA H 26 4.569 4.569 4.796 -0.227 25716 5158 1 11 . 1 1 26 26 ASP C C 26 173.265 173.265 175.897 -2.632 25716 5159 1 11 . 1 1 26 26 ASP CA C 26 54.061 54.061 53.998 0.063 25716 5160 1 11 . 1 1 26 26 ASP CB C 26 40.742 40.742 41.304 -0.562 25716 5161 1 11 . 1 1 26 26 ASP H H 26 8.139 8.139 8.074 0.065 25716 5162 1 11 . 1 1 27 27 GLU N N 27 118.932 118.932 120.168 -1.236 25716 5163 1 11 . 1 1 27 27 GLU HA H 27 4.239 4.239 4.460 -0.221 25716 5164 1 11 . 1 1 27 27 GLU C C 27 172.838 172.838 176.283 -3.445 25716 5165 1 11 . 1 1 27 27 GLU CA C 27 56.645 56.645 58.349 -1.704 25716 5166 1 11 . 1 1 27 27 GLU CB C 27 30.703 30.703 30.773 -0.070 25716 5167 1 11 . 1 1 27 27 GLU H H 27 7.859 7.859 7.989 -0.130 25716 5168 1 11 . 1 1 28 28 LEU N N 28 121.726 121.726 120.194 1.532 25716 5169 1 11 . 1 1 28 28 LEU HA H 28 4.570 4.570 4.413 0.157 25716 5170 1 11 . 1 1 28 28 LEU C C 28 172.438 172.438 175.390 -2.952 25716 5171 1 11 . 1 1 28 28 LEU CA C 28 54.503 54.503 54.020 0.483 25716 5172 1 11 . 1 1 28 28 LEU CB C 28 43.342 43.342 40.486 2.856 25716 5173 1 11 . 1 1 28 28 LEU H H 28 7.671 7.671 7.672 -0.001 25716 5174 1 11 . 1 1 29 29 ASP N N 29 126.685 126.685 124.150 2.535 25716 5175 1 11 . 1 1 29 29 ASP HA H 29 4.822 4.822 4.768 0.054 25716 5176 1 11 . 1 1 29 29 ASP C C 29 173.732 173.732 176.440 -2.708 25716 5177 1 11 . 1 1 29 29 ASP CA C 29 52.855 52.855 52.700 0.155 25716 5178 1 11 . 1 1 29 29 ASP CB C 29 43.124 43.124 44.460 -1.336 25716 5179 1 11 . 1 1 29 29 ASP H H 29 8.950 8.950 8.274 0.676 25716 5180 1 11 . 1 1 30 30 ASP N N 30 120.317 120.317 119.434 0.883 25716 5181 1 11 . 1 1 30 30 ASP HA H 30 4.247 4.247 4.391 -0.144 25716 5182 1 11 . 1 1 30 30 ASP C C 30 172.143 172.143 176.076 -3.933 25716 5183 1 11 . 1 1 30 30 ASP CA C 30 57.352 57.352 56.241 1.111 25716 5184 1 11 . 1 1 30 30 ASP CB C 30 40.160 40.160 40.846 -0.686 25716 5185 1 11 . 1 1 30 30 ASP H H 30 8.500 8.500 8.597 -0.097 25716 5186 1 11 . 1 1 31 31 GLN N N 31 111.109 111.109 116.895 -5.786 25716 5187 1 11 . 1 1 31 31 GLN HA H 31 4.590 4.590 4.751 -0.161 25716 5188 1 11 . 1 1 31 31 GLN C C 31 174.343 174.343 175.256 -0.913 25716 5189 1 11 . 1 1 31 31 GLN CA C 31 54.437 54.437 54.447 -0.010 25716 5190 1 11 . 1 1 31 31 GLN CB C 31 30.038 30.038 29.864 0.174 25716 5191 1 11 . 1 1 31 31 GLN H H 31 8.234 8.234 7.799 0.435 25716 5192 1 11 . 1 1 32 32 THR N N 32 123.333 123.333 119.921 3.412 25716 5193 1 11 . 1 1 32 32 THR HA H 32 3.856 3.856 4.105 -0.249 25716 5194 1 11 . 1 1 32 32 THR CA C 32 62.805 62.805 61.848 0.957 25716 5195 1 11 . 1 1 32 32 THR CB C 32 69.907 69.907 68.991 0.916 25716 5196 1 11 . 1 1 32 32 THR H H 32 7.663 7.663 7.027 0.636 25716 5197 1 11 . 1 1 33 33 PRO HA H 33 4.823 4.823 4.441 0.382 25716 5198 1 11 . 1 1 33 33 PRO C C 33 172.190 172.190 176.924 -4.734 25716 5199 1 11 . 1 1 33 33 PRO CA C 33 61.670 61.670 62.858 -1.188 25716 5200 1 11 . 1 1 33 33 PRO CB C 33 29.880 29.880 31.219 -1.339 25716 5201 1 11 . 1 1 34 34 LEU N N 34 126.562 126.562 122.743 3.819 25716 5202 1 11 . 1 1 34 34 LEU HA H 34 3.820 3.820 3.728 0.092 25716 5203 1 11 . 1 1 34 34 LEU C C 34 176.590 176.590 178.299 -1.709 25716 5204 1 11 . 1 1 34 34 LEU CA C 34 57.808 57.808 57.949 -0.141 25716 5205 1 11 . 1 1 34 34 LEU CB C 34 42.569 42.569 41.588 0.981 25716 5206 1 11 . 1 1 34 34 LEU H H 34 7.988 7.988 7.817 0.171 25716 5207 1 11 . 1 1 35 35 LEU N N 35 117.687 117.687 117.497 0.190 25716 5208 1 11 . 1 1 35 35 LEU HA H 35 4.539 4.539 4.024 0.515 25716 5209 1 11 . 1 1 35 35 LEU C C 35 178.411 178.411 179.387 -0.976 25716 5210 1 11 . 1 1 35 35 LEU CA C 35 56.531 56.531 57.491 -0.960 25716 5211 1 11 . 1 1 35 35 LEU CB C 35 41.338 41.338 41.736 -0.398 25716 5212 1 11 . 1 1 35 35 LEU H H 35 8.184 8.184 7.727 0.457 25716 5213 1 11 . 1 1 36 36 GLU N N 36 121.488 121.488 117.682 3.806 25716 5214 1 11 . 1 1 36 36 GLU HA H 36 4.118 4.118 4.163 -0.045 25716 5215 1 11 . 1 1 36 36 GLU C C 36 175.984 175.984 178.245 -2.261 25716 5216 1 11 . 1 1 36 36 GLU CA C 36 59.264 59.264 58.817 0.447 25716 5217 1 11 . 1 1 36 36 GLU CB C 36 29.608 29.608 28.945 0.663 25716 5218 1 11 . 1 1 36 36 GLU H H 36 7.857 7.857 8.005 -0.148 25716 5219 1 11 . 1 1 37 37 TRP N N 37 115.319 115.319 119.525 -4.206 25716 5220 1 11 . 1 1 37 37 TRP HA H 37 4.950 4.950 4.609 0.341 25716 5221 1 11 . 1 1 37 37 TRP C C 37 174.270 174.270 177.644 -3.374 25716 5222 1 11 . 1 1 37 37 TRP CA C 37 56.075 56.075 58.714 -2.639 25716 5223 1 11 . 1 1 37 37 TRP CB C 37 29.050 29.050 29.184 -0.134 25716 5224 1 11 . 1 1 37 37 TRP H H 37 8.180 8.180 8.267 -0.087 25716 5225 1 11 . 1 1 38 38 GLY N N 38 106.793 106.793 105.937 0.856 25716 5226 1 11 . 1 1 38 38 GLY C C 38 171.784 171.784 175.395 -3.611 25716 5227 1 11 . 1 1 38 38 GLY CA C 38 46.275 46.275 45.851 0.424 25716 5228 1 11 . 1 1 38 38 GLY H H 38 7.704 7.704 7.524 0.180 25716 5229 1 11 . 1 1 39 39 ILE N N 39 120.597 120.597 114.973 5.624 25716 5230 1 11 . 1 1 39 39 ILE HA H 39 3.753 3.753 4.119 -0.366 25716 5231 1 11 . 1 1 39 39 ILE C C 39 174.148 174.148 175.593 -1.445 25716 5232 1 11 . 1 1 39 39 ILE CA C 39 63.934 63.934 62.465 1.469 25716 5233 1 11 . 1 1 39 39 ILE CB C 39 38.673 38.673 38.107 0.566 25716 5234 1 11 . 1 1 39 39 ILE H H 39 7.697 7.697 7.467 0.230 25716 5235 1 11 . 1 1 40 40 LEU N N 40 115.102 115.102 122.435 -7.333 25716 5236 1 11 . 1 1 40 40 LEU HA H 40 4.934 4.934 4.491 0.443 25716 5237 1 11 . 1 1 40 40 LEU C C 40 172.286 172.286 174.947 -2.661 25716 5238 1 11 . 1 1 40 40 LEU CA C 40 52.249 52.249 53.691 -1.442 25716 5239 1 11 . 1 1 40 40 LEU CB C 40 43.454 43.454 41.153 2.301 25716 5240 1 11 . 1 1 40 40 LEU H H 40 7.307 7.307 7.442 -0.135 25716 5241 1 11 . 1 1 41 41 ASN N N 41 117.306 117.306 121.753 -4.447 25716 5242 1 11 . 1 1 41 41 ASN HA H 41 4.589 4.589 4.811 -0.222 25716 5243 1 11 . 1 1 41 41 ASN C C 41 171.807 171.807 175.610 -3.803 25716 5244 1 11 . 1 1 41 41 ASN CA C 41 52.017 52.017 51.921 0.096 25716 5245 1 11 . 1 1 41 41 ASN CB C 41 39.872 39.872 42.029 -2.157 25716 5246 1 11 . 1 1 41 41 ASN H H 41 8.466 8.466 8.130 0.336 25716 5247 1 11 . 1 1 42 42 SER N N 42 113.236 113.236 117.484 -4.248 25716 5248 1 11 . 1 1 42 42 SER HA H 42 4.116 4.116 4.224 -0.108 25716 5249 1 11 . 1 1 42 42 SER C C 42 171.631 171.631 175.986 -4.355 25716 5250 1 11 . 1 1 42 42 SER CA C 42 60.951 60.951 61.256 -0.305 25716 5251 1 11 . 1 1 42 42 SER CB C 42 65.868 65.868 62.946 2.922 25716 5252 1 11 . 1 1 42 42 SER H H 42 9.138 9.138 8.741 0.397 25716 5253 1 11 . 1 1 43 43 MET N N 43 118.797 118.797 117.818 0.979 25716 5254 1 11 . 1 1 43 43 MET HA H 43 4.467 4.467 4.369 0.098 25716 5255 1 11 . 1 1 43 43 MET CA C 43 57.429 57.429 57.526 -0.097 25716 5256 1 11 . 1 1 43 43 MET CB C 43 32.494 32.494 31.846 0.648 25716 5257 1 11 . 1 1 43 43 MET H H 43 8.292 8.292 8.145 0.147 25716 5258 1 11 . 1 1 44 44 ASN N N 44 117.701 117.701 117.563 0.138 25716 5259 1 11 . 1 1 44 44 ASN HA H 44 4.686 4.686 4.629 0.057 25716 5260 1 11 . 1 1 44 44 ASN C C 44 175.889 175.889 177.595 -1.706 25716 5261 1 11 . 1 1 44 44 ASN CA C 44 53.826 53.826 55.027 -1.201 25716 5262 1 11 . 1 1 44 44 ASN CB C 44 38.484 38.484 38.427 0.057 25716 5263 1 11 . 1 1 44 44 ASN H H 44 8.299 8.299 7.846 0.453 25716 5264 1 11 . 1 1 45 45 ILE N N 45 122.124 122.124 122.172 -0.048 25716 5265 1 11 . 1 1 45 45 ILE HA H 45 3.783 3.783 3.847 -0.064 25716 5266 1 11 . 1 1 45 45 ILE C C 45 174.370 174.370 176.458 -2.088 25716 5267 1 11 . 1 1 45 45 ILE CA C 45 64.892 64.892 63.574 1.318 25716 5268 1 11 . 1 1 45 45 ILE CB C 45 37.778 37.778 37.972 -0.194 25716 5269 1 11 . 1 1 45 45 ILE H H 45 8.417 8.417 8.069 0.347 25716 5270 1 11 . 1 1 46 46 VAL N N 46 120.176 120.176 115.883 4.293 25716 5271 1 11 . 1 1 46 46 VAL HA H 46 3.714 3.714 3.815 -0.101 25716 5272 1 11 . 1 1 46 46 VAL C C 46 175.129 175.129 177.246 -2.117 25716 5273 1 11 . 1 1 46 46 VAL CA C 46 66.227 66.227 65.953 0.274 25716 5274 1 11 . 1 1 46 46 VAL CB C 46 31.294 31.294 30.928 0.366 25716 5275 1 11 . 1 1 46 46 VAL H H 46 7.394 7.394 7.550 -0.156 25716 5276 1 11 . 1 1 47 47 LYS N N 47 118.640 118.640 119.289 -0.649 25716 5277 1 11 . 1 1 47 47 LYS HA H 47 4.005 4.005 4.232 -0.227 25716 5278 1 11 . 1 1 47 47 LYS CA C 47 60.033 60.033 59.196 0.837 25716 5279 1 11 . 1 1 47 47 LYS CB C 47 32.093 32.093 32.054 0.039 25716 5280 1 11 . 1 1 47 47 LYS H H 47 7.221 7.221 7.597 -0.376 25716 5281 1 11 . 1 1 48 48 LEU N N 48 119.812 119.812 120.467 -0.655 25716 5282 1 11 . 1 1 48 48 LEU HA H 48 4.261 4.261 4.205 0.056 25716 5283 1 11 . 1 1 48 48 LEU C C 48 175.105 175.105 178.619 -3.514 25716 5284 1 11 . 1 1 48 48 LEU CA C 48 57.717 57.717 57.821 -0.104 25716 5285 1 11 . 1 1 48 48 LEU CB C 48 41.683 41.683 41.870 -0.187 25716 5286 1 11 . 1 1 48 48 LEU H H 48 7.812 7.812 7.371 0.441 25716 5287 1 11 . 1 1 49 49 MET N N 49 118.031 118.031 118.167 -0.136 25716 5288 1 11 . 1 1 49 49 MET HA H 49 3.919 3.919 4.041 -0.122 25716 5289 1 11 . 1 1 49 49 MET C C 49 176.673 176.673 179.005 -2.332 25716 5290 1 11 . 1 1 49 49 MET CA C 49 60.304 60.304 59.780 0.524 25716 5291 1 11 . 1 1 49 49 MET CB C 49 33.071 33.071 32.479 0.592 25716 5292 1 11 . 1 1 49 49 MET H H 49 8.583 8.583 8.003 0.580 25716 5293 1 11 . 1 1 50 50 VAL N N 50 122.370 122.370 115.502 6.868 25716 5294 1 11 . 1 1 50 50 VAL HA H 50 3.497 3.497 3.681 -0.184 25716 5295 1 11 . 1 1 50 50 VAL C C 50 173.639 173.639 177.308 -3.669 25716 5296 1 11 . 1 1 50 50 VAL CA C 50 67.182 67.182 65.626 1.556 25716 5297 1 11 . 1 1 50 50 VAL CB C 50 31.551 31.551 31.436 0.115 25716 5298 1 11 . 1 1 50 50 VAL H H 50 8.246 8.246 7.759 0.487 25716 5299 1 11 . 1 1 51 51 TYR N N 51 121.444 121.444 122.502 -1.058 25716 5300 1 11 . 1 1 51 51 TYR HA H 51 4.110 4.110 3.999 0.111 25716 5301 1 11 . 1 1 51 51 TYR C C 51 174.688 174.688 177.239 -2.551 25716 5302 1 11 . 1 1 51 51 TYR CA C 51 61.795 61.795 61.877 -0.082 25716 5303 1 11 . 1 1 51 51 TYR CB C 51 38.036 38.036 38.403 -0.367 25716 5304 1 11 . 1 1 51 51 TYR H H 51 7.774 7.774 7.385 0.389 25716 5305 1 11 . 1 1 52 52 ILE N N 52 118.347 118.347 118.788 -0.441 25716 5306 1 11 . 1 1 52 52 ILE HA H 52 3.283 3.283 3.708 -0.425 25716 5307 1 11 . 1 1 52 52 ILE C C 52 175.421 175.421 178.098 -2.677 25716 5308 1 11 . 1 1 52 52 ILE CA C 52 65.477 65.477 63.895 1.582 25716 5309 1 11 . 1 1 52 52 ILE CB C 52 38.703 38.703 37.313 1.390 25716 5310 1 11 . 1 1 52 52 ILE H H 52 8.388 8.388 8.487 -0.099 25716 5311 1 11 . 1 1 53 53 ARG N N 53 121.323 121.323 119.573 1.750 25716 5312 1 11 . 1 1 53 53 ARG HA H 53 3.920 3.920 4.148 -0.228 25716 5313 1 11 . 1 1 53 53 ARG C C 53 176.463 176.463 177.688 -1.225 25716 5314 1 11 . 1 1 53 53 ARG CA C 53 59.458 59.458 58.608 0.850 25716 5315 1 11 . 1 1 53 53 ARG CB C 53 30.296 30.296 29.605 0.691 25716 5316 1 11 . 1 1 53 53 ARG H H 53 7.831 7.831 7.873 -0.042 25716 5317 1 11 . 1 1 54 54 ASP N N 54 119.945 119.945 119.256 0.689 25716 5318 1 11 . 1 1 54 54 ASP HA H 54 4.319 4.319 4.506 -0.187 25716 5319 1 11 . 1 1 54 54 ASP C C 54 175.314 175.314 177.413 -2.099 25716 5320 1 11 . 1 1 54 54 ASP CA C 54 57.126 57.126 56.421 0.705 25716 5321 1 11 . 1 1 54 54 ASP CB C 54 40.074 40.074 41.235 -1.161 25716 5322 1 11 . 1 1 54 54 ASP H H 54 8.760 8.760 7.508 1.252 25716 5323 1 11 . 1 1 55 55 GLU N N 55 117.530 117.530 117.702 -0.172 25716 5324 1 11 . 1 1 55 55 GLU HA H 55 4.239 4.239 4.035 0.204 25716 5325 1 11 . 1 1 55 55 GLU C C 55 175.224 175.224 177.413 -2.189 25716 5326 1 11 . 1 1 55 55 GLU CA C 55 56.852 56.852 57.375 -0.523 25716 5327 1 11 . 1 1 55 55 GLU CB C 55 29.329 29.329 29.798 -0.469 25716 5328 1 11 . 1 1 55 55 GLU H H 55 8.701 8.701 7.916 0.785 25716 5329 1 11 . 1 1 56 56 MET N N 56 113.874 113.874 115.080 -1.206 25716 5330 1 11 . 1 1 56 56 MET HA H 56 4.566 4.566 4.584 -0.018 25716 5331 1 11 . 1 1 56 56 MET C C 56 173.968 173.968 175.964 -1.996 25716 5332 1 11 . 1 1 56 56 MET CA C 56 55.539 55.539 55.005 0.534 25716 5333 1 11 . 1 1 56 56 MET CB C 56 34.094 34.094 34.364 -0.270 25716 5334 1 11 . 1 1 56 56 MET H H 56 7.464 7.464 7.701 -0.237 25716 5335 1 11 . 1 1 57 57 GLY N N 57 107.900 107.900 106.598 1.302 25716 5336 1 11 . 1 1 57 57 GLY C C 57 171.496 171.496 173.919 -2.423 25716 5337 1 11 . 1 1 57 57 GLY CA C 57 46.561 46.561 45.565 0.996 25716 5338 1 11 . 1 1 57 57 GLY H H 57 7.291 7.291 7.802 -0.511 25716 5339 1 11 . 1 1 58 58 VAL N N 58 117.126 117.126 119.759 -2.633 25716 5340 1 11 . 1 1 58 58 VAL HA H 58 4.283 4.283 4.243 0.040 25716 5341 1 11 . 1 1 58 58 VAL C C 58 171.116 171.116 175.261 -4.145 25716 5342 1 11 . 1 1 58 58 VAL CA C 58 60.487 60.487 60.432 0.055 25716 5343 1 11 . 1 1 58 58 VAL CB C 58 34.837 34.837 32.159 2.678 25716 5344 1 11 . 1 1 58 58 VAL H H 58 6.970 6.970 7.548 -0.578 25716 5345 1 11 . 1 1 59 59 SER N N 59 122.188 122.188 121.917 0.271 25716 5346 1 11 . 1 1 59 59 SER HA H 59 4.432 4.432 4.431 0.001 25716 5347 1 11 . 1 1 59 59 SER C C 59 170.766 170.766 174.507 -3.741 25716 5348 1 11 . 1 1 59 59 SER CA C 59 56.563 56.563 57.391 -0.828 25716 5349 1 11 . 1 1 59 59 SER CB C 59 63.106 63.106 63.322 -0.216 25716 5350 1 11 . 1 1 59 59 SER H H 59 8.609 8.609 8.447 0.162 25716 5351 1 11 . 1 1 60 60 ILE N N 60 128.230 128.230 129.514 -1.284 25716 5352 1 11 . 1 1 60 60 ILE HA H 60 4.033 4.033 4.268 -0.235 25716 5353 1 11 . 1 1 60 60 ILE CA C 60 58.127 58.127 58.554 -0.427 25716 5354 1 11 . 1 1 60 60 ILE CB C 60 38.217 38.217 37.410 0.807 25716 5355 1 11 . 1 1 60 60 ILE H H 60 8.257 8.257 8.374 -0.117 25716 5356 1 11 . 1 1 61 61 PRO HA H 61 4.501 4.501 4.640 -0.139 25716 5357 1 11 . 1 1 61 61 PRO CA C 61 62.352 62.352 62.542 -0.190 25716 5358 1 11 . 1 1 61 61 PRO CB C 61 32.469 32.469 32.743 -0.274 25716 5359 1 11 . 1 1 62 62 SER HA H 62 4.058 4.058 4.177 -0.119 25716 5360 1 11 . 1 1 62 62 SER C C 62 173.269 173.269 176.644 -3.375 25716 5361 1 11 . 1 1 62 62 SER CA C 62 61.511 61.511 60.942 0.569 25716 5362 1 11 . 1 1 62 62 SER CB C 62 62.646 62.646 62.908 -0.262 25716 5363 1 11 . 1 1 63 63 THR N N 63 110.178 110.178 115.892 -5.714 25716 5364 1 11 . 1 1 63 63 THR HA H 63 4.066 4.066 4.138 -0.072 25716 5365 1 11 . 1 1 63 63 THR C C 63 172.917 172.917 175.190 -2.273 25716 5366 1 11 . 1 1 63 63 THR CA C 63 63.007 63.007 63.999 -0.992 25716 5367 1 11 . 1 1 63 63 THR CB C 63 69.323 69.323 68.564 0.759 25716 5368 1 11 . 1 1 63 63 THR H H 63 7.307 7.307 8.235 -0.928 25716 5369 1 11 . 1 1 64 64 HIS N N 64 121.862 121.862 118.422 3.440 25716 5370 1 11 . 1 1 64 64 HIS HA H 64 4.495 4.495 4.559 -0.064 25716 5371 1 11 . 1 1 64 64 HIS C C 64 171.495 171.495 175.375 -3.880 25716 5372 1 11 . 1 1 64 64 HIS CA C 64 56.203 56.203 57.746 -1.543 25716 5373 1 11 . 1 1 64 64 HIS CB C 64 29.814 29.814 30.864 -1.050 25716 5374 1 11 . 1 1 64 64 HIS H H 64 8.132 8.132 7.739 0.393 25716 5375 1 11 . 1 1 65 65 ILE N N 65 118.536 118.536 123.203 -4.667 25716 5376 1 11 . 1 1 65 65 ILE HA H 65 4.165 4.165 3.928 0.237 25716 5377 1 11 . 1 1 65 65 ILE C C 65 172.049 172.049 175.117 -3.068 25716 5378 1 11 . 1 1 65 65 ILE CA C 65 60.576 60.576 61.208 -0.632 25716 5379 1 11 . 1 1 65 65 ILE CB C 65 35.561 35.561 36.134 -0.573 25716 5380 1 11 . 1 1 65 65 ILE H H 65 7.223 7.223 7.351 -0.129 25716 5381 1 11 . 1 1 66 66 THR N N 66 114.529 114.529 119.364 -4.835 25716 5382 1 11 . 1 1 66 66 THR HA H 66 4.635 4.635 4.671 -0.036 25716 5383 1 11 . 1 1 66 66 THR C C 66 172.176 172.176 175.352 -3.176 25716 5384 1 11 . 1 1 66 66 THR CA C 66 59.827 59.827 59.757 0.070 25716 5385 1 11 . 1 1 66 66 THR CB C 66 70.679 70.679 72.205 -1.526 25716 5386 1 11 . 1 1 66 66 THR H H 66 7.943 7.943 8.005 -0.062 25716 5387 1 11 . 1 1 67 67 GLY N N 67 109.454 109.454 107.939 1.515 25716 5388 1 11 . 1 1 67 67 GLY C C 67 172.080 172.080 174.979 -2.899 25716 5389 1 11 . 1 1 67 67 GLY CA C 67 47.245 47.245 45.980 1.265 25716 5390 1 11 . 1 1 67 67 GLY H H 67 8.736 8.736 8.591 0.145 25716 5391 1 11 . 1 1 68 68 LYS N N 68 118.551 118.551 119.042 -0.491 25716 5392 1 11 . 1 1 68 68 LYS HA H 68 3.851 3.851 4.061 -0.210 25716 5393 1 11 . 1 1 68 68 LYS C C 68 174.455 174.455 178.127 -3.672 25716 5394 1 11 . 1 1 68 68 LYS CA C 68 58.697 58.697 58.434 0.263 25716 5395 1 11 . 1 1 68 68 LYS CB C 68 32.350 32.350 32.153 0.197 25716 5396 1 11 . 1 1 68 68 LYS H H 68 7.968 7.968 7.767 0.201 25716 5397 1 11 . 1 1 69 69 TYR N N 69 115.203 115.203 115.211 -0.008 25716 5398 1 11 . 1 1 69 69 TYR HA H 69 4.213 4.213 4.344 -0.131 25716 5399 1 11 . 1 1 69 69 TYR C C 69 171.772 171.772 176.443 -4.671 25716 5400 1 11 . 1 1 69 69 TYR CA C 69 59.212 59.212 59.678 -0.466 25716 5401 1 11 . 1 1 69 69 TYR CB C 69 38.555 38.555 38.349 0.206 25716 5402 1 11 . 1 1 69 69 TYR H H 69 6.826 6.826 7.383 -0.557 25716 5403 1 11 . 1 1 70 70 PHE N N 70 112.140 112.140 114.067 -1.927 25716 5404 1 11 . 1 1 70 70 PHE HA H 70 4.629 4.629 4.827 -0.198 25716 5405 1 11 . 1 1 70 70 PHE C C 70 171.998 171.998 175.419 -3.421 25716 5406 1 11 . 1 1 70 70 PHE CA C 70 57.245 57.245 57.352 -0.107 25716 5407 1 11 . 1 1 70 70 PHE CB C 70 40.329 40.329 39.201 1.128 25716 5408 1 11 . 1 1 70 70 PHE H H 70 7.327 7.327 7.689 -0.362 25716 5409 1 11 . 1 1 71 71 LYS N N 71 113.603 113.603 120.932 -7.329 25716 5410 1 11 . 1 1 71 71 LYS HA H 71 3.875 3.875 4.059 -0.184 25716 5411 1 11 . 1 1 71 71 LYS C C 71 172.963 172.963 175.956 -2.993 25716 5412 1 11 . 1 1 71 71 LYS CA C 71 59.667 59.667 59.200 0.467 25716 5413 1 11 . 1 1 71 71 LYS CB C 71 33.074 33.074 32.833 0.241 25716 5414 1 11 . 1 1 71 71 LYS H H 71 6.925 6.925 7.474 -0.549 25716 5415 1 11 . 1 1 72 72 ASP N N 72 110.434 110.434 114.950 -4.516 25716 5416 1 11 . 1 1 72 72 ASP HA H 72 4.441 4.441 4.734 -0.293 25716 5417 1 11 . 1 1 72 72 ASP C C 72 172.750 172.750 175.781 -3.031 25716 5418 1 11 . 1 1 72 72 ASP CA C 72 52.378 52.378 52.340 0.038 25716 5419 1 11 . 1 1 72 72 ASP CB C 72 42.426 42.426 43.408 -0.982 25716 5420 1 11 . 1 1 72 72 ASP H H 72 7.363 7.363 7.514 -0.151 25716 5421 1 11 . 1 1 73 73 LEU N N 73 120.273 120.273 118.806 1.467 25716 5422 1 11 . 1 1 73 73 LEU HA H 73 3.920 3.920 3.979 -0.059 25716 5423 1 11 . 1 1 73 73 LEU C C 73 176.648 176.648 178.238 -1.590 25716 5424 1 11 . 1 1 73 73 LEU CA C 73 58.120 58.120 57.286 0.834 25716 5425 1 11 . 1 1 73 73 LEU CB C 73 42.574 42.574 42.040 0.534 25716 5426 1 11 . 1 1 73 73 LEU H H 73 9.983 9.983 8.168 1.815 25716 5427 1 11 . 1 1 74 74 ASN N N 74 119.506 119.506 117.710 1.796 25716 5428 1 11 . 1 1 74 74 ASN HA H 74 4.405 4.405 4.379 0.026 25716 5429 1 11 . 1 1 74 74 ASN C C 74 174.659 174.659 176.887 -2.228 25716 5430 1 11 . 1 1 74 74 ASN CA C 74 56.287 56.287 56.734 -0.447 25716 5431 1 11 . 1 1 74 74 ASN CB C 74 37.579 37.579 38.327 -0.748 25716 5432 1 11 . 1 1 74 74 ASN H H 74 7.893 7.893 7.901 -0.008 25716 5433 1 11 . 1 1 75 75 ALA N N 75 125.068 125.068 122.990 2.078 25716 5434 1 11 . 1 1 75 75 ALA HA H 75 4.097 4.097 4.160 -0.063 25716 5435 1 11 . 1 1 75 75 ALA C C 75 177.809 177.809 179.721 -1.912 25716 5436 1 11 . 1 1 75 75 ALA CA C 75 55.365 55.365 54.739 0.627 25716 5437 1 11 . 1 1 75 75 ALA CB C 75 18.572 18.572 18.439 0.133 25716 5438 1 11 . 1 1 75 75 ALA H H 75 8.951 8.951 7.627 1.324 25716 5439 1 11 . 1 1 76 76 ILE N N 76 119.561 119.561 118.671 0.890 25716 5440 1 11 . 1 1 76 76 ILE HA H 76 3.615 3.615 3.657 -0.042 25716 5441 1 11 . 1 1 76 76 ILE C C 76 175.344 175.344 178.259 -2.915 25716 5442 1 11 . 1 1 76 76 ILE CA C 76 65.272 65.272 64.689 0.583 25716 5443 1 11 . 1 1 76 76 ILE CB C 76 39.056 39.056 37.734 1.322 25716 5444 1 11 . 1 1 76 76 ILE H H 76 8.386 8.386 7.752 0.634 25716 5445 1 11 . 1 1 77 77 SER N N 77 114.090 114.090 115.330 -1.240 25716 5446 1 11 . 1 1 77 77 SER HA H 77 3.878 3.878 4.151 -0.273 25716 5447 1 11 . 1 1 77 77 SER C C 77 173.592 173.592 176.310 -2.718 25716 5448 1 11 . 1 1 77 77 SER CA C 77 62.733 62.733 61.455 1.278 25716 5449 1 11 . 1 1 77 77 SER CB C 77 62.864 62.864 63.073 -0.209 25716 5450 1 11 . 1 1 77 77 SER H H 77 8.250 8.250 8.211 0.039 25716 5451 1 11 . 1 1 78 78 ARG N N 78 121.670 121.670 119.326 2.344 25716 5452 1 11 . 1 1 78 78 ARG HA H 78 4.129 4.129 4.109 0.020 25716 5453 1 11 . 1 1 78 78 ARG C C 78 176.111 176.111 178.627 -2.516 25716 5454 1 11 . 1 1 78 78 ARG CA C 78 59.328 59.328 59.167 0.161 25716 5455 1 11 . 1 1 78 78 ARG CB C 78 29.814 29.814 29.470 0.344 25716 5456 1 11 . 1 1 78 78 ARG H H 78 8.086 8.086 7.888 0.198 25716 5457 1 11 . 1 1 79 79 THR N N 79 118.928 118.928 114.198 4.730 25716 5458 1 11 . 1 1 79 79 THR HA H 79 4.525 4.525 4.222 0.303 25716 5459 1 11 . 1 1 79 79 THR C C 79 173.364 173.364 176.530 -3.166 25716 5460 1 11 . 1 1 79 79 THR CA C 79 68.289 68.289 64.992 3.297 25716 5461 1 11 . 1 1 79 79 THR CB C 79 67.268 67.268 68.771 -1.503 25716 5462 1 11 . 1 1 79 79 THR H H 79 8.351 8.351 7.477 0.874 25716 5463 1 11 . 1 1 80 80 VAL N N 80 120.643 120.643 122.074 -1.431 25716 5464 1 11 . 1 1 80 80 VAL HA H 80 3.339 3.339 3.519 -0.180 25716 5465 1 11 . 1 1 80 80 VAL C C 80 174.438 174.438 177.579 -3.141 25716 5466 1 11 . 1 1 80 80 VAL CA C 80 67.603 67.603 66.949 0.654 25716 5467 1 11 . 1 1 80 80 VAL CB C 80 31.532 31.532 31.684 -0.152 25716 5468 1 11 . 1 1 80 80 VAL H H 80 8.242 8.242 8.063 0.179 25716 5469 1 11 . 1 1 81 81 GLU N N 81 118.067 118.067 118.099 -0.032 25716 5470 1 11 . 1 1 81 81 GLU HA H 81 3.943 3.943 3.965 -0.022 25716 5471 1 11 . 1 1 81 81 GLU C C 81 176.961 176.961 178.706 -1.745 25716 5472 1 11 . 1 1 81 81 GLU CA C 81 59.974 59.974 58.947 1.027 25716 5473 1 11 . 1 1 81 81 GLU CB C 81 29.817 29.817 29.239 0.577 25716 5474 1 11 . 1 1 81 81 GLU H H 81 8.296 8.296 7.855 0.441 25716 5475 1 11 . 1 1 82 82 GLN N N 82 119.947 119.947 120.615 -0.668 25716 5476 1 11 . 1 1 82 82 GLN HA H 82 4.110 4.110 4.107 0.003 25716 5477 1 11 . 1 1 82 82 GLN C C 82 176.023 176.023 177.797 -1.774 25716 5478 1 11 . 1 1 82 82 GLN CA C 82 58.991 58.991 58.735 0.256 25716 5479 1 11 . 1 1 82 82 GLN CB C 82 28.136 28.136 28.619 -0.483 25716 5480 1 11 . 1 1 82 82 GLN H H 82 8.444 8.444 7.591 0.853 25716 5481 1 11 . 1 1 83 83 LEU N N 83 119.916 119.916 119.262 0.654 25716 5482 1 11 . 1 1 83 83 LEU HA H 83 4.075 4.075 4.009 0.066 25716 5483 1 11 . 1 1 83 83 LEU C C 83 177.753 177.753 179.041 -1.288 25716 5484 1 11 . 1 1 83 83 LEU CA C 83 57.453 57.453 57.242 0.211 25716 5485 1 11 . 1 1 83 83 LEU CB C 83 41.673 41.673 41.456 0.216 25716 5486 1 11 . 1 1 83 83 LEU H H 83 8.149 8.149 8.223 -0.074 25716 5487 1 11 . 1 1 84 84 LYS N N 84 121.059 121.059 119.256 1.803 25716 5488 1 11 . 1 1 84 84 LYS HA H 84 3.951 3.951 4.009 -0.058 25716 5489 1 11 . 1 1 84 84 LYS C C 84 176.055 176.055 178.445 -2.390 25716 5490 1 11 . 1 1 84 84 LYS CA C 84 59.328 59.328 58.992 0.336 25716 5491 1 11 . 1 1 84 84 LYS CB C 84 32.291 32.291 32.251 0.040 25716 5492 1 11 . 1 1 84 84 LYS H H 84 8.373 8.373 7.982 0.391 25716 5493 1 11 . 1 1 85 85 ALA N N 85 122.134 122.134 122.652 -0.518 25716 5494 1 11 . 1 1 85 85 ALA HA H 85 4.188 4.188 4.105 0.083 25716 5495 1 11 . 1 1 85 85 ALA C C 85 177.240 177.240 179.907 -2.667 25716 5496 1 11 . 1 1 85 85 ALA CA C 85 54.423 54.423 55.130 -0.707 25716 5497 1 11 . 1 1 85 85 ALA CB C 85 18.193 18.193 18.194 -0.001 25716 5498 1 11 . 1 1 85 85 ALA H H 85 7.854 7.854 7.570 0.284 25716 5499 1 11 . 1 1 86 86 GLU N N 86 117.813 117.813 117.194 0.619 25716 5500 1 11 . 1 1 86 86 GLU HA H 86 4.115 4.115 4.069 0.046 25716 5501 1 11 . 1 1 86 86 GLU C C 86 175.547 175.547 177.873 -2.326 25716 5502 1 11 . 1 1 86 86 GLU CA C 86 58.199 58.199 58.435 -0.236 25716 5503 1 11 . 1 1 86 86 GLU CB C 86 29.841 29.841 29.143 0.698 25716 5504 1 11 . 1 1 86 86 GLU H H 86 8.059 8.059 8.098 -0.039 25716 5505 1 11 . 1 1 87 87 SER N N 87 114.771 114.771 112.333 2.438 25716 5506 1 11 . 1 1 87 87 SER HA H 87 4.362 4.362 4.462 -0.100 25716 5507 1 11 . 1 1 87 87 SER C C 87 172.405 172.405 175.409 -3.004 25716 5508 1 11 . 1 1 87 87 SER CA C 87 59.806 59.806 59.618 0.188 25716 5509 1 11 . 1 1 87 87 SER CB C 87 63.528 63.528 63.368 0.160 25716 5510 1 11 . 1 1 87 87 SER H H 87 7.908 7.908 7.708 0.200 25716 5511 1 11 . 1 1 88 88 ALA N N 88 124.277 124.277 122.183 2.094 25716 5512 1 11 . 1 1 88 88 ALA HA H 88 4.284 4.284 4.406 -0.122 25716 5513 1 11 . 1 1 88 88 ALA C C 88 175.489 175.489 178.428 -2.939 25716 5514 1 11 . 1 1 88 88 ALA CA C 88 53.087 53.087 53.753 -0.666 25716 5515 1 11 . 1 1 88 88 ALA CB C 88 18.792 18.792 19.401 -0.609 25716 5516 1 11 . 1 1 88 88 ALA H H 88 7.812 7.812 7.475 0.337 25716 5517 1 11 . 1 1 89 89 LEU N N 89 119.411 119.411 119.383 0.028 25716 5518 1 11 . 1 1 89 89 LEU HA H 89 4.219 4.219 4.308 -0.089 25716 5519 1 11 . 1 1 89 89 LEU C C 89 175.025 175.025 176.698 -1.673 25716 5520 1 11 . 1 1 89 89 LEU CA C 89 55.608 55.608 54.267 1.341 25716 5521 1 11 . 1 1 89 89 LEU CB C 89 42.213 42.213 41.797 0.416 25716 5522 1 11 . 1 1 89 89 LEU H H 89 7.769 7.769 7.843 -0.074 25716 5523 1 12 . 1 1 2 2 ASP HA H 2 4.704 4.704 4.724 -0.020 25716 5524 1 12 . 1 1 2 2 ASP C C 2 173.822 173.822 177.572 -3.750 25716 5525 1 12 . 1 1 2 2 ASP CA C 2 54.130 54.130 53.737 0.393 25716 5526 1 12 . 1 1 2 2 ASP CB C 2 41.601 41.601 42.881 -1.280 25716 5527 1 12 . 1 1 3 3 GLY N N 3 109.376 109.376 110.380 -1.004 25716 5528 1 12 . 1 1 3 3 GLY C C 3 172.786 172.786 175.592 -2.806 25716 5529 1 12 . 1 1 3 3 GLY CA C 3 46.704 46.704 46.425 0.279 25716 5530 1 12 . 1 1 3 3 GLY H H 3 8.712 8.712 8.739 -0.027 25716 5531 1 12 . 1 1 4 4 GLU N N 4 120.623 120.623 120.157 0.466 25716 5532 1 12 . 1 1 4 4 GLU HA H 4 4.207 4.207 4.161 0.046 25716 5533 1 12 . 1 1 4 4 GLU C C 4 175.198 175.198 178.364 -3.166 25716 5534 1 12 . 1 1 4 4 GLU CA C 4 58.159 58.159 58.352 -0.193 25716 5535 1 12 . 1 1 4 4 GLU CB C 4 29.793 29.793 29.007 0.786 25716 5536 1 12 . 1 1 4 4 GLU H H 4 8.280 8.280 8.839 -0.559 25716 5537 1 12 . 1 1 5 5 GLU N N 5 121.684 121.684 120.366 1.318 25716 5538 1 12 . 1 1 5 5 GLU HA H 5 4.173 4.173 4.044 0.129 25716 5539 1 12 . 1 1 5 5 GLU C C 5 175.720 175.720 179.132 -3.412 25716 5540 1 12 . 1 1 5 5 GLU CA C 5 58.648 58.648 59.168 -0.520 25716 5541 1 12 . 1 1 5 5 GLU CB C 5 29.819 29.819 29.190 0.629 25716 5542 1 12 . 1 1 5 5 GLU H H 5 8.254 8.254 8.033 0.221 25716 5543 1 12 . 1 1 6 6 VAL N N 6 120.195 120.195 119.213 0.982 25716 5544 1 12 . 1 1 6 6 VAL HA H 6 3.594 3.594 3.628 -0.034 25716 5545 1 12 . 1 1 6 6 VAL C C 6 174.638 174.638 177.209 -2.571 25716 5546 1 12 . 1 1 6 6 VAL CA C 6 66.621 66.621 66.471 0.150 25716 5547 1 12 . 1 1 6 6 VAL CB C 6 32.041 32.041 31.514 0.527 25716 5548 1 12 . 1 1 6 6 VAL H H 6 8.137 8.137 7.517 0.620 25716 5549 1 12 . 1 1 7 7 LYS N N 7 118.688 118.688 119.033 -0.345 25716 5550 1 12 . 1 1 7 7 LYS HA H 7 3.776 3.776 3.978 -0.202 25716 5551 1 12 . 1 1 7 7 LYS C C 7 175.192 175.192 178.916 -3.724 25716 5552 1 12 . 1 1 7 7 LYS CA C 7 60.903 60.903 60.177 0.726 25716 5553 1 12 . 1 1 7 7 LYS CB C 7 32.251 32.251 32.179 0.072 25716 5554 1 12 . 1 1 7 7 LYS H H 7 8.099 8.099 8.271 -0.172 25716 5555 1 12 . 1 1 8 8 GLU N N 8 117.138 117.138 118.871 -1.733 25716 5556 1 12 . 1 1 8 8 GLU HA H 8 4.188 4.188 4.109 0.079 25716 5557 1 12 . 1 1 8 8 GLU C C 8 176.405 176.405 178.825 -2.420 25716 5558 1 12 . 1 1 8 8 GLU CA C 8 58.635 58.635 59.100 -0.465 25716 5559 1 12 . 1 1 8 8 GLU CB C 8 29.149 29.149 28.678 0.471 25716 5560 1 12 . 1 1 8 8 GLU H H 8 7.875 7.875 8.277 -0.402 25716 5561 1 12 . 1 1 9 9 LYS N N 9 119.639 119.639 120.590 -0.951 25716 5562 1 12 . 1 1 9 9 LYS HA H 9 4.072 4.072 4.147 -0.075 25716 5563 1 12 . 1 1 9 9 LYS C C 9 177.376 177.376 179.115 -1.739 25716 5564 1 12 . 1 1 9 9 LYS CA C 9 59.994 59.994 59.809 0.185 25716 5565 1 12 . 1 1 9 9 LYS CB C 9 32.471 32.471 32.549 -0.078 25716 5566 1 12 . 1 1 9 9 LYS H H 9 8.102 8.102 7.916 0.186 25716 5567 1 12 . 1 1 10 10 ILE N N 10 119.456 119.456 118.757 0.699 25716 5568 1 12 . 1 1 10 10 ILE HA H 10 3.713 3.713 3.804 -0.091 25716 5569 1 12 . 1 1 10 10 ILE C C 10 174.153 174.153 177.740 -3.587 25716 5570 1 12 . 1 1 10 10 ILE CA C 10 65.549 65.549 65.620 -0.071 25716 5571 1 12 . 1 1 10 10 ILE CB C 10 37.522 37.522 37.968 -0.446 25716 5572 1 12 . 1 1 10 10 ILE H H 10 8.210 8.210 7.856 0.354 25716 5573 1 12 . 1 1 11 11 ARG N N 11 121.172 121.172 119.563 1.609 25716 5574 1 12 . 1 1 11 11 ARG HA H 11 3.608 3.608 4.043 -0.435 25716 5575 1 12 . 1 1 11 11 ARG C C 11 174.925 174.925 178.341 -3.416 25716 5576 1 12 . 1 1 11 11 ARG CA C 11 60.617 60.617 58.857 1.760 25716 5577 1 12 . 1 1 11 11 ARG CB C 11 30.480 30.480 29.184 1.296 25716 5578 1 12 . 1 1 11 11 ARG H H 11 8.851 8.851 8.256 0.595 25716 5579 1 12 . 1 1 12 12 ARG N N 12 116.578 116.578 120.333 -3.755 25716 5580 1 12 . 1 1 12 12 ARG HA H 12 3.935 3.935 4.103 -0.168 25716 5581 1 12 . 1 1 12 12 ARG C C 12 174.817 174.817 178.628 -3.811 25716 5582 1 12 . 1 1 12 12 ARG CA C 12 59.162 59.162 59.634 -0.472 25716 5583 1 12 . 1 1 12 12 ARG CB C 12 29.476 29.476 29.853 -0.377 25716 5584 1 12 . 1 1 12 12 ARG H H 12 8.126 8.126 7.930 0.196 25716 5585 1 12 . 1 1 13 13 TYR N N 13 119.994 119.994 121.189 -1.195 25716 5586 1 12 . 1 1 13 13 TYR HA H 13 4.047 4.047 4.067 -0.020 25716 5587 1 12 . 1 1 13 13 TYR C C 13 175.273 175.273 177.497 -2.224 25716 5588 1 12 . 1 1 13 13 TYR CA C 13 61.856 61.856 60.927 0.929 25716 5589 1 12 . 1 1 13 13 TYR CB C 13 38.459 38.459 37.774 0.685 25716 5590 1 12 . 1 1 13 13 TYR H H 13 7.758 7.758 7.763 -0.005 25716 5591 1 12 . 1 1 14 14 ILE N N 14 117.754 117.754 119.324 -1.570 25716 5592 1 12 . 1 1 14 14 ILE HA H 14 3.239 3.239 3.400 -0.161 25716 5593 1 12 . 1 1 14 14 ILE C C 14 175.425 175.425 177.465 -2.040 25716 5594 1 12 . 1 1 14 14 ILE CA C 14 65.826 65.826 65.377 0.448 25716 5595 1 12 . 1 1 14 14 ILE CB C 14 37.782 37.782 37.566 0.216 25716 5596 1 12 . 1 1 14 14 ILE H H 14 8.464 8.464 7.994 0.470 25716 5597 1 12 . 1 1 15 15 MET N N 15 116.173 116.173 117.936 -1.763 25716 5598 1 12 . 1 1 15 15 MET HA H 15 3.939 3.939 4.071 -0.132 25716 5599 1 12 . 1 1 15 15 MET C C 15 174.676 174.676 178.099 -3.423 25716 5600 1 12 . 1 1 15 15 MET CA C 15 59.276 59.276 59.256 0.020 25716 5601 1 12 . 1 1 15 15 MET CB C 15 32.885 32.885 32.310 0.575 25716 5602 1 12 . 1 1 15 15 MET H H 15 8.265 8.265 7.446 0.819 25716 5603 1 12 . 1 1 16 16 GLU N N 16 116.398 116.398 118.602 -2.204 25716 5604 1 12 . 1 1 16 16 GLU HA H 16 3.980 3.980 4.061 -0.081 25716 5605 1 12 . 1 1 16 16 GLU C C 16 175.158 175.158 179.031 -3.873 25716 5606 1 12 . 1 1 16 16 GLU CA C 16 58.767 58.767 58.384 0.383 25716 5607 1 12 . 1 1 16 16 GLU CB C 16 30.078 30.078 29.286 0.792 25716 5608 1 12 . 1 1 16 16 GLU H H 16 8.619 8.619 7.748 0.871 25716 5609 1 12 . 1 1 17 17 ASP N N 17 116.973 116.973 119.201 -2.228 25716 5610 1 12 . 1 1 17 17 ASP HA H 17 4.591 4.591 4.332 0.259 25716 5611 1 12 . 1 1 17 17 ASP C C 17 174.240 174.240 178.238 -3.998 25716 5612 1 12 . 1 1 17 17 ASP CA C 17 55.438 55.438 56.101 -0.663 25716 5613 1 12 . 1 1 17 17 ASP CB C 17 42.657 42.657 40.659 1.998 25716 5614 1 12 . 1 1 17 17 ASP H H 17 8.119 8.119 7.678 0.441 25716 5615 1 12 . 1 1 18 18 LEU N N 18 115.667 115.667 119.183 -3.516 25716 5616 1 12 . 1 1 18 18 LEU HA H 18 4.488 4.488 4.017 0.471 25716 5617 1 12 . 1 1 18 18 LEU C C 18 175.062 175.062 178.510 -3.448 25716 5618 1 12 . 1 1 18 18 LEU CA C 18 56.075 56.075 57.000 -0.925 25716 5619 1 12 . 1 1 18 18 LEU CB C 18 41.096 41.096 41.695 -0.599 25716 5620 1 12 . 1 1 18 18 LEU H H 18 7.162 7.162 7.219 -0.057 25716 5621 1 12 . 1 1 19 19 ILE N N 19 120.763 120.763 116.175 4.588 25716 5622 1 12 . 1 1 19 19 ILE HA H 19 3.979 3.979 4.055 -0.076 25716 5623 1 12 . 1 1 19 19 ILE C C 19 174.557 174.557 176.497 -1.940 25716 5624 1 12 . 1 1 19 19 ILE CA C 19 63.809 63.809 62.784 1.025 25716 5625 1 12 . 1 1 19 19 ILE CB C 19 38.044 38.044 38.480 -0.436 25716 5626 1 12 . 1 1 19 19 ILE H H 19 8.017 8.017 8.299 -0.282 25716 5627 1 12 . 1 1 20 20 GLY N N 20 108.619 108.619 106.827 1.792 25716 5628 1 12 . 1 1 20 20 GLY CA C 20 44.560 44.560 45.119 -0.559 25716 5629 1 12 . 1 1 20 20 GLY H H 20 8.126 8.126 7.825 0.301 25716 5630 1 12 . 1 1 21 21 PRO HA H 21 4.385 4.385 4.501 -0.116 25716 5631 1 12 . 1 1 21 21 PRO C C 21 174.855 174.855 177.549 -2.694 25716 5632 1 12 . 1 1 21 21 PRO CA C 21 64.406 64.406 63.617 0.789 25716 5633 1 12 . 1 1 21 21 PRO CB C 21 32.027 32.027 31.921 0.106 25716 5634 1 12 . 1 1 22 22 SER N N 22 114.165 114.165 118.055 -3.890 25716 5635 1 12 . 1 1 22 22 SER HA H 22 4.394 4.394 4.415 -0.021 25716 5636 1 12 . 1 1 22 22 SER C C 22 171.708 171.708 173.210 -1.502 25716 5637 1 12 . 1 1 22 22 SER CA C 22 58.871 58.871 57.791 1.080 25716 5638 1 12 . 1 1 22 22 SER CB C 22 63.473 63.473 61.377 2.096 25716 5639 1 12 . 1 1 22 22 SER H H 22 8.279 8.279 8.231 0.048 25716 5640 1 12 . 1 1 23 23 ALA N N 23 125.151 125.151 126.750 -1.599 25716 5641 1 12 . 1 1 23 23 ALA HA H 23 4.250 4.250 4.547 -0.297 25716 5642 1 12 . 1 1 23 23 ALA C C 23 174.903 174.903 175.259 -0.356 25716 5643 1 12 . 1 1 23 23 ALA CA C 23 52.851 52.851 51.650 1.201 25716 5644 1 12 . 1 1 23 23 ALA CB C 23 19.376 19.376 20.269 -0.893 25716 5645 1 12 . 1 1 23 23 ALA H H 23 8.040 8.040 7.809 0.231 25716 5646 1 12 . 1 1 24 24 LYS N N 24 120.823 120.823 123.449 -2.626 25716 5647 1 12 . 1 1 24 24 LYS HA H 24 4.346 4.346 4.265 0.081 25716 5648 1 12 . 1 1 24 24 LYS C C 24 174.522 174.522 178.409 -3.887 25716 5649 1 12 . 1 1 24 24 LYS CA C 24 55.938 55.938 55.847 0.091 25716 5650 1 12 . 1 1 24 24 LYS CB C 24 33.187 33.187 33.614 -0.427 25716 5651 1 12 . 1 1 24 24 LYS H H 24 8.306 8.306 8.308 -0.002 25716 5652 1 12 . 1 1 25 25 GLU N N 25 121.186 121.186 119.447 1.739 25716 5653 1 12 . 1 1 25 25 GLU HA H 25 4.114 4.114 4.039 0.075 25716 5654 1 12 . 1 1 25 25 GLU C C 25 173.808 173.808 176.481 -2.673 25716 5655 1 12 . 1 1 25 25 GLU CA C 25 58.023 58.023 59.197 -1.174 25716 5656 1 12 . 1 1 25 25 GLU CB C 25 29.769 29.769 29.723 0.046 25716 5657 1 12 . 1 1 25 25 GLU H H 25 8.569 8.569 8.842 -0.273 25716 5658 1 12 . 1 1 26 26 ASP N N 26 117.111 117.111 114.798 2.313 25716 5659 1 12 . 1 1 26 26 ASP HA H 26 4.569 4.569 4.878 -0.309 25716 5660 1 12 . 1 1 26 26 ASP C C 26 173.265 173.265 175.655 -2.390 25716 5661 1 12 . 1 1 26 26 ASP CA C 26 54.061 54.061 53.896 0.165 25716 5662 1 12 . 1 1 26 26 ASP CB C 26 40.742 40.742 40.578 0.164 25716 5663 1 12 . 1 1 26 26 ASP H H 26 8.139 8.139 8.072 0.067 25716 5664 1 12 . 1 1 27 27 GLU N N 27 118.932 118.932 119.743 -0.811 25716 5665 1 12 . 1 1 27 27 GLU HA H 27 4.239 4.239 4.251 -0.012 25716 5666 1 12 . 1 1 27 27 GLU C C 27 172.838 172.838 176.422 -3.584 25716 5667 1 12 . 1 1 27 27 GLU CA C 27 56.645 56.645 58.715 -2.070 25716 5668 1 12 . 1 1 27 27 GLU CB C 27 30.703 30.703 30.484 0.219 25716 5669 1 12 . 1 1 27 27 GLU H H 27 7.859 7.859 8.065 -0.206 25716 5670 1 12 . 1 1 28 28 LEU N N 28 121.726 121.726 120.827 0.899 25716 5671 1 12 . 1 1 28 28 LEU HA H 28 4.570 4.570 4.388 0.182 25716 5672 1 12 . 1 1 28 28 LEU C C 28 172.438 172.438 174.937 -2.499 25716 5673 1 12 . 1 1 28 28 LEU CA C 28 54.503 54.503 53.880 0.623 25716 5674 1 12 . 1 1 28 28 LEU CB C 28 43.342 43.342 41.043 2.299 25716 5675 1 12 . 1 1 28 28 LEU H H 28 7.671 7.671 7.758 -0.087 25716 5676 1 12 . 1 1 29 29 ASP N N 29 126.685 126.685 123.506 3.179 25716 5677 1 12 . 1 1 29 29 ASP HA H 29 4.822 4.822 4.867 -0.045 25716 5678 1 12 . 1 1 29 29 ASP C C 29 173.732 173.732 176.724 -2.992 25716 5679 1 12 . 1 1 29 29 ASP CA C 29 52.855 52.855 52.400 0.455 25716 5680 1 12 . 1 1 29 29 ASP CB C 29 43.124 43.124 44.119 -0.995 25716 5681 1 12 . 1 1 29 29 ASP H H 29 8.950 8.950 7.826 1.124 25716 5682 1 12 . 1 1 30 30 ASP N N 30 120.317 120.317 121.061 -0.744 25716 5683 1 12 . 1 1 30 30 ASP HA H 30 4.247 4.247 4.345 -0.098 25716 5684 1 12 . 1 1 30 30 ASP C C 30 172.143 172.143 176.630 -4.487 25716 5685 1 12 . 1 1 30 30 ASP CA C 30 57.352 57.352 56.942 0.410 25716 5686 1 12 . 1 1 30 30 ASP CB C 30 40.160 40.160 41.115 -0.955 25716 5687 1 12 . 1 1 30 30 ASP H H 30 8.500 8.500 8.801 -0.301 25716 5688 1 12 . 1 1 31 31 GLN N N 31 111.109 111.109 114.047 -2.938 25716 5689 1 12 . 1 1 31 31 GLN HA H 31 4.590 4.590 4.798 -0.207 25716 5690 1 12 . 1 1 31 31 GLN C C 31 174.343 174.343 175.382 -1.039 25716 5691 1 12 . 1 1 31 31 GLN CA C 31 54.437 54.437 54.466 -0.029 25716 5692 1 12 . 1 1 31 31 GLN CB C 31 30.038 30.038 29.963 0.075 25716 5693 1 12 . 1 1 31 31 GLN H H 31 8.234 8.234 7.769 0.465 25716 5694 1 12 . 1 1 32 32 THR N N 32 123.333 123.333 120.077 3.256 25716 5695 1 12 . 1 1 32 32 THR HA H 32 3.856 3.856 4.119 -0.263 25716 5696 1 12 . 1 1 32 32 THR CA C 32 62.805 62.805 61.867 0.938 25716 5697 1 12 . 1 1 32 32 THR CB C 32 69.907 69.907 69.240 0.667 25716 5698 1 12 . 1 1 32 32 THR H H 32 7.663 7.663 7.236 0.427 25716 5699 1 12 . 1 1 33 33 PRO HA H 33 4.823 4.823 4.585 0.238 25716 5700 1 12 . 1 1 33 33 PRO C C 33 172.190 172.190 176.899 -4.709 25716 5701 1 12 . 1 1 33 33 PRO CA C 33 61.670 61.670 62.584 -0.915 25716 5702 1 12 . 1 1 33 33 PRO CB C 33 29.880 29.880 31.477 -1.597 25716 5703 1 12 . 1 1 34 34 LEU N N 34 126.562 126.562 124.405 2.157 25716 5704 1 12 . 1 1 34 34 LEU HA H 34 3.820 3.820 3.647 0.173 25716 5705 1 12 . 1 1 34 34 LEU C C 34 176.590 176.590 178.590 -2.000 25716 5706 1 12 . 1 1 34 34 LEU CA C 34 57.808 57.808 58.094 -0.286 25716 5707 1 12 . 1 1 34 34 LEU CB C 34 42.569 42.569 41.482 1.087 25716 5708 1 12 . 1 1 34 34 LEU H H 34 7.988 7.988 7.857 0.131 25716 5709 1 12 . 1 1 35 35 LEU N N 35 117.687 117.687 118.250 -0.563 25716 5710 1 12 . 1 1 35 35 LEU HA H 35 4.539 4.539 4.101 0.438 25716 5711 1 12 . 1 1 35 35 LEU C C 35 178.411 178.411 178.763 -0.352 25716 5712 1 12 . 1 1 35 35 LEU CA C 35 56.531 56.531 57.491 -0.960 25716 5713 1 12 . 1 1 35 35 LEU CB C 35 41.338 41.338 41.982 -0.644 25716 5714 1 12 . 1 1 35 35 LEU H H 35 8.184 8.184 7.570 0.614 25716 5715 1 12 . 1 1 36 36 GLU N N 36 121.488 121.488 119.179 2.309 25716 5716 1 12 . 1 1 36 36 GLU HA H 36 4.118 4.118 4.146 -0.028 25716 5717 1 12 . 1 1 36 36 GLU C C 36 175.984 175.984 178.491 -2.507 25716 5718 1 12 . 1 1 36 36 GLU CA C 36 59.264 59.264 59.036 0.228 25716 5719 1 12 . 1 1 36 36 GLU CB C 36 29.608 29.608 29.291 0.317 25716 5720 1 12 . 1 1 36 36 GLU H H 36 7.857 7.857 8.161 -0.304 25716 5721 1 12 . 1 1 37 37 TRP N N 37 115.319 115.319 118.682 -3.363 25716 5722 1 12 . 1 1 37 37 TRP HA H 37 4.950 4.950 4.649 0.301 25716 5723 1 12 . 1 1 37 37 TRP C C 37 174.270 174.270 177.259 -2.989 25716 5724 1 12 . 1 1 37 37 TRP CA C 37 56.075 56.075 58.291 -2.216 25716 5725 1 12 . 1 1 37 37 TRP CB C 37 29.050 29.050 29.189 -0.139 25716 5726 1 12 . 1 1 37 37 TRP H H 37 8.180 8.180 8.070 0.110 25716 5727 1 12 . 1 1 38 38 GLY N N 38 106.793 106.793 107.301 -0.508 25716 5728 1 12 . 1 1 38 38 GLY C C 38 171.784 171.784 175.415 -3.631 25716 5729 1 12 . 1 1 38 38 GLY CA C 38 46.275 46.275 45.574 0.701 25716 5730 1 12 . 1 1 38 38 GLY H H 38 7.704 7.704 7.560 0.144 25716 5731 1 12 . 1 1 39 39 ILE N N 39 120.597 120.597 114.926 5.671 25716 5732 1 12 . 1 1 39 39 ILE HA H 39 3.753 3.753 4.165 -0.412 25716 5733 1 12 . 1 1 39 39 ILE C C 39 174.148 174.148 175.639 -1.491 25716 5734 1 12 . 1 1 39 39 ILE CA C 39 63.934 63.934 62.681 1.253 25716 5735 1 12 . 1 1 39 39 ILE CB C 39 38.673 38.673 38.374 0.299 25716 5736 1 12 . 1 1 39 39 ILE H H 39 7.697 7.697 7.569 0.128 25716 5737 1 12 . 1 1 40 40 LEU N N 40 115.102 115.102 120.670 -5.568 25716 5738 1 12 . 1 1 40 40 LEU HA H 40 4.934 4.934 4.966 -0.032 25716 5739 1 12 . 1 1 40 40 LEU C C 40 172.286 172.286 175.433 -3.147 25716 5740 1 12 . 1 1 40 40 LEU CA C 40 52.249 52.249 53.633 -1.385 25716 5741 1 12 . 1 1 40 40 LEU CB C 40 43.454 43.454 43.930 -0.476 25716 5742 1 12 . 1 1 40 40 LEU H H 40 7.307 7.307 7.485 -0.178 25716 5743 1 12 . 1 1 41 41 ASN N N 41 117.306 117.306 118.724 -1.418 25716 5744 1 12 . 1 1 41 41 ASN HA H 41 4.589 4.589 4.674 -0.085 25716 5745 1 12 . 1 1 41 41 ASN C C 41 171.807 171.807 174.660 -2.853 25716 5746 1 12 . 1 1 41 41 ASN CA C 41 52.017 52.017 52.556 -0.539 25716 5747 1 12 . 1 1 41 41 ASN CB C 41 39.872 39.872 39.701 0.171 25716 5748 1 12 . 1 1 41 41 ASN H H 41 8.466 8.466 8.614 -0.148 25716 5749 1 12 . 1 1 42 42 SER N N 42 113.236 113.236 114.563 -1.327 25716 5750 1 12 . 1 1 42 42 SER HA H 42 4.116 4.116 4.196 -0.080 25716 5751 1 12 . 1 1 42 42 SER C C 42 171.631 171.631 175.999 -4.368 25716 5752 1 12 . 1 1 42 42 SER CA C 42 60.951 60.951 60.849 0.102 25716 5753 1 12 . 1 1 42 42 SER CB C 42 65.868 65.868 62.908 2.959 25716 5754 1 12 . 1 1 42 42 SER H H 42 9.138 9.138 8.597 0.541 25716 5755 1 12 . 1 1 43 43 MET N N 43 118.797 118.797 118.996 -0.199 25716 5756 1 12 . 1 1 43 43 MET HA H 43 4.467 4.467 4.306 0.161 25716 5757 1 12 . 1 1 43 43 MET CA C 43 57.429 57.429 57.491 -0.062 25716 5758 1 12 . 1 1 43 43 MET CB C 43 32.494 32.494 32.014 0.480 25716 5759 1 12 . 1 1 43 43 MET H H 43 8.292 8.292 7.998 0.294 25716 5760 1 12 . 1 1 44 44 ASN N N 44 117.701 117.701 118.000 -0.299 25716 5761 1 12 . 1 1 44 44 ASN HA H 44 4.686 4.686 4.607 0.079 25716 5762 1 12 . 1 1 44 44 ASN C C 44 175.889 175.889 177.093 -1.204 25716 5763 1 12 . 1 1 44 44 ASN CA C 44 53.826 53.826 55.184 -1.358 25716 5764 1 12 . 1 1 44 44 ASN CB C 44 38.484 38.484 38.620 -0.136 25716 5765 1 12 . 1 1 44 44 ASN H H 44 8.299 8.299 8.331 -0.032 25716 5766 1 12 . 1 1 45 45 ILE N N 45 122.124 122.124 121.434 0.690 25716 5767 1 12 . 1 1 45 45 ILE HA H 45 3.783 3.783 3.658 0.125 25716 5768 1 12 . 1 1 45 45 ILE C C 45 174.370 174.370 177.100 -2.730 25716 5769 1 12 . 1 1 45 45 ILE CA C 45 64.892 64.892 64.387 0.505 25716 5770 1 12 . 1 1 45 45 ILE CB C 45 37.778 37.778 37.767 0.012 25716 5771 1 12 . 1 1 45 45 ILE H H 45 8.417 8.417 7.754 0.663 25716 5772 1 12 . 1 1 46 46 VAL N N 46 120.176 120.176 115.418 4.758 25716 5773 1 12 . 1 1 46 46 VAL HA H 46 3.714 3.714 3.857 -0.143 25716 5774 1 12 . 1 1 46 46 VAL C C 46 175.129 175.129 177.362 -2.233 25716 5775 1 12 . 1 1 46 46 VAL CA C 46 66.227 66.227 66.111 0.116 25716 5776 1 12 . 1 1 46 46 VAL CB C 46 31.294 31.294 31.043 0.251 25716 5777 1 12 . 1 1 46 46 VAL H H 46 7.394 7.394 7.650 -0.256 25716 5778 1 12 . 1 1 47 47 LYS N N 47 118.640 118.640 120.223 -1.583 25716 5779 1 12 . 1 1 47 47 LYS HA H 47 4.005 4.005 4.214 -0.209 25716 5780 1 12 . 1 1 47 47 LYS CA C 47 60.033 60.033 59.536 0.497 25716 5781 1 12 . 1 1 47 47 LYS CB C 47 32.093 32.093 32.142 -0.049 25716 5782 1 12 . 1 1 47 47 LYS H H 47 7.221 7.221 7.623 -0.402 25716 5783 1 12 . 1 1 48 48 LEU N N 48 119.812 119.812 120.652 -0.840 25716 5784 1 12 . 1 1 48 48 LEU HA H 48 4.261 4.261 4.208 0.053 25716 5785 1 12 . 1 1 48 48 LEU C C 48 175.105 175.105 178.581 -3.476 25716 5786 1 12 . 1 1 48 48 LEU CA C 48 57.717 57.717 57.920 -0.203 25716 5787 1 12 . 1 1 48 48 LEU CB C 48 41.683 41.683 42.078 -0.395 25716 5788 1 12 . 1 1 48 48 LEU H H 48 7.812 7.812 7.716 0.096 25716 5789 1 12 . 1 1 49 49 MET N N 49 118.031 118.031 119.637 -1.606 25716 5790 1 12 . 1 1 49 49 MET HA H 49 3.919 3.919 4.160 -0.241 25716 5791 1 12 . 1 1 49 49 MET C C 49 176.673 176.673 178.333 -1.660 25716 5792 1 12 . 1 1 49 49 MET CA C 49 60.304 60.304 59.389 0.915 25716 5793 1 12 . 1 1 49 49 MET CB C 49 33.071 33.071 32.850 0.221 25716 5794 1 12 . 1 1 49 49 MET H H 49 8.583 8.583 8.094 0.489 25716 5795 1 12 . 1 1 50 50 VAL N N 50 122.370 122.370 115.887 6.483 25716 5796 1 12 . 1 1 50 50 VAL HA H 50 3.497 3.497 3.801 -0.304 25716 5797 1 12 . 1 1 50 50 VAL C C 50 173.639 173.639 177.193 -3.554 25716 5798 1 12 . 1 1 50 50 VAL CA C 50 67.182 67.182 65.362 1.819 25716 5799 1 12 . 1 1 50 50 VAL CB C 50 31.551 31.551 30.764 0.787 25716 5800 1 12 . 1 1 50 50 VAL H H 50 8.246 8.246 8.023 0.223 25716 5801 1 12 . 1 1 51 51 TYR N N 51 121.444 121.444 122.280 -0.836 25716 5802 1 12 . 1 1 51 51 TYR HA H 51 4.110 4.110 3.989 0.121 25716 5803 1 12 . 1 1 51 51 TYR C C 51 174.688 174.688 177.309 -2.621 25716 5804 1 12 . 1 1 51 51 TYR CA C 51 61.795 61.795 62.075 -0.280 25716 5805 1 12 . 1 1 51 51 TYR CB C 51 38.036 38.036 38.318 -0.282 25716 5806 1 12 . 1 1 51 51 TYR H H 51 7.774 7.774 7.294 0.480 25716 5807 1 12 . 1 1 52 52 ILE N N 52 118.347 118.347 118.826 -0.479 25716 5808 1 12 . 1 1 52 52 ILE HA H 52 3.283 3.283 3.667 -0.384 25716 5809 1 12 . 1 1 52 52 ILE C C 52 175.421 175.421 178.349 -2.928 25716 5810 1 12 . 1 1 52 52 ILE CA C 52 65.477 65.477 64.583 0.894 25716 5811 1 12 . 1 1 52 52 ILE CB C 52 38.703 38.703 37.730 0.973 25716 5812 1 12 . 1 1 52 52 ILE H H 52 8.388 8.388 8.234 0.154 25716 5813 1 12 . 1 1 53 53 ARG N N 53 121.323 121.323 120.896 0.427 25716 5814 1 12 . 1 1 53 53 ARG HA H 53 3.920 3.920 3.828 0.092 25716 5815 1 12 . 1 1 53 53 ARG C C 53 176.463 176.463 177.724 -1.261 25716 5816 1 12 . 1 1 53 53 ARG CA C 53 59.458 59.458 60.001 -0.543 25716 5817 1 12 . 1 1 53 53 ARG CB C 53 30.296 30.296 29.894 0.402 25716 5818 1 12 . 1 1 53 53 ARG H H 53 7.831 7.831 7.694 0.137 25716 5819 1 12 . 1 1 54 54 ASP N N 54 119.945 119.945 118.114 1.831 25716 5820 1 12 . 1 1 54 54 ASP HA H 54 4.319 4.319 4.397 -0.078 25716 5821 1 12 . 1 1 54 54 ASP C C 54 175.314 175.314 178.231 -2.917 25716 5822 1 12 . 1 1 54 54 ASP CA C 54 57.126 57.126 56.757 0.369 25716 5823 1 12 . 1 1 54 54 ASP CB C 54 40.074 40.074 40.638 -0.564 25716 5824 1 12 . 1 1 54 54 ASP H H 54 8.760 8.760 7.632 1.128 25716 5825 1 12 . 1 1 55 55 GLU N N 55 117.530 117.530 118.388 -0.858 25716 5826 1 12 . 1 1 55 55 GLU HA H 55 4.239 4.239 4.084 0.155 25716 5827 1 12 . 1 1 55 55 GLU C C 55 175.224 175.224 177.494 -2.270 25716 5828 1 12 . 1 1 55 55 GLU CA C 55 56.852 56.852 57.285 -0.433 25716 5829 1 12 . 1 1 55 55 GLU CB C 55 29.329 29.329 29.791 -0.462 25716 5830 1 12 . 1 1 55 55 GLU H H 55 8.701 8.701 8.074 0.627 25716 5831 1 12 . 1 1 56 56 MET N N 56 113.874 113.874 115.658 -1.784 25716 5832 1 12 . 1 1 56 56 MET HA H 56 4.566 4.566 4.393 0.173 25716 5833 1 12 . 1 1 56 56 MET C C 56 173.968 173.968 177.385 -3.417 25716 5834 1 12 . 1 1 56 56 MET CA C 56 55.539 55.539 55.546 -0.007 25716 5835 1 12 . 1 1 56 56 MET CB C 56 34.094 34.094 33.511 0.583 25716 5836 1 12 . 1 1 56 56 MET H H 56 7.464 7.464 7.650 -0.186 25716 5837 1 12 . 1 1 57 57 GLY N N 57 107.900 107.900 107.062 0.838 25716 5838 1 12 . 1 1 57 57 GLY C C 57 171.496 171.496 174.100 -2.604 25716 5839 1 12 . 1 1 57 57 GLY CA C 57 46.561 46.561 45.318 1.243 25716 5840 1 12 . 1 1 57 57 GLY H H 57 7.291 7.291 7.862 -0.571 25716 5841 1 12 . 1 1 58 58 VAL N N 58 117.126 117.126 120.306 -3.180 25716 5842 1 12 . 1 1 58 58 VAL HA H 58 4.283 4.283 4.258 0.025 25716 5843 1 12 . 1 1 58 58 VAL C C 58 171.116 171.116 174.884 -3.768 25716 5844 1 12 . 1 1 58 58 VAL CA C 58 60.487 60.487 61.013 -0.526 25716 5845 1 12 . 1 1 58 58 VAL CB C 58 34.837 34.837 33.408 1.429 25716 5846 1 12 . 1 1 58 58 VAL H H 58 6.970 6.970 7.547 -0.577 25716 5847 1 12 . 1 1 59 59 SER N N 59 122.188 122.188 122.408 -0.220 25716 5848 1 12 . 1 1 59 59 SER HA H 59 4.432 4.432 4.504 -0.072 25716 5849 1 12 . 1 1 59 59 SER C C 59 170.766 170.766 174.068 -3.302 25716 5850 1 12 . 1 1 59 59 SER CA C 59 56.563 56.563 57.756 -1.193 25716 5851 1 12 . 1 1 59 59 SER CB C 59 63.106 63.106 64.062 -0.956 25716 5852 1 12 . 1 1 59 59 SER H H 59 8.609 8.609 8.359 0.250 25716 5853 1 12 . 1 1 60 60 ILE N N 60 128.230 128.230 127.419 0.811 25716 5854 1 12 . 1 1 60 60 ILE HA H 60 4.033 4.033 4.305 -0.272 25716 5855 1 12 . 1 1 60 60 ILE CA C 60 58.127 58.127 57.975 0.152 25716 5856 1 12 . 1 1 60 60 ILE CB C 60 38.217 38.217 37.443 0.774 25716 5857 1 12 . 1 1 60 60 ILE H H 60 8.257 8.257 8.381 -0.124 25716 5858 1 12 . 1 1 61 61 PRO HA H 61 4.501 4.501 4.713 -0.212 25716 5859 1 12 . 1 1 61 61 PRO CA C 61 62.352 62.352 62.316 0.036 25716 5860 1 12 . 1 1 61 61 PRO CB C 61 32.469 32.469 32.926 -0.457 25716 5861 1 12 . 1 1 62 62 SER HA H 62 4.058 4.058 4.231 -0.173 25716 5862 1 12 . 1 1 62 62 SER C C 62 173.269 173.269 176.558 -3.289 25716 5863 1 12 . 1 1 62 62 SER CA C 62 61.511 61.511 61.278 0.234 25716 5864 1 12 . 1 1 62 62 SER CB C 62 62.646 62.646 62.825 -0.179 25716 5865 1 12 . 1 1 63 63 THR N N 63 110.178 110.178 115.705 -5.527 25716 5866 1 12 . 1 1 63 63 THR HA H 63 4.066 4.066 4.267 -0.201 25716 5867 1 12 . 1 1 63 63 THR C C 63 172.917 172.917 175.157 -2.240 25716 5868 1 12 . 1 1 63 63 THR CA C 63 63.007 63.007 63.892 -0.885 25716 5869 1 12 . 1 1 63 63 THR CB C 63 69.323 69.323 68.792 0.531 25716 5870 1 12 . 1 1 63 63 THR H H 63 7.307 7.307 8.337 -1.030 25716 5871 1 12 . 1 1 64 64 HIS N N 64 121.862 121.862 118.462 3.400 25716 5872 1 12 . 1 1 64 64 HIS HA H 64 4.495 4.495 4.924 -0.429 25716 5873 1 12 . 1 1 64 64 HIS C C 64 171.495 171.495 174.554 -3.059 25716 5874 1 12 . 1 1 64 64 HIS CA C 64 56.203 56.203 55.552 0.651 25716 5875 1 12 . 1 1 64 64 HIS CB C 64 29.814 29.814 30.668 -0.854 25716 5876 1 12 . 1 1 64 64 HIS H H 64 8.132 8.132 7.837 0.295 25716 5877 1 12 . 1 1 65 65 ILE N N 65 118.536 118.536 121.804 -3.268 25716 5878 1 12 . 1 1 65 65 ILE HA H 65 4.165 4.165 4.415 -0.250 25716 5879 1 12 . 1 1 65 65 ILE C C 65 172.049 172.049 175.737 -3.688 25716 5880 1 12 . 1 1 65 65 ILE CA C 65 60.576 60.576 60.493 0.083 25716 5881 1 12 . 1 1 65 65 ILE CB C 65 35.561 35.561 35.538 0.022 25716 5882 1 12 . 1 1 65 65 ILE H H 65 7.223 7.223 7.386 -0.163 25716 5883 1 12 . 1 1 66 66 THR N N 66 114.529 114.529 121.308 -6.779 25716 5884 1 12 . 1 1 66 66 THR HA H 66 4.635 4.635 4.621 0.014 25716 5885 1 12 . 1 1 66 66 THR C C 66 172.176 172.176 175.593 -3.417 25716 5886 1 12 . 1 1 66 66 THR CA C 66 59.827 59.827 60.184 -0.357 25716 5887 1 12 . 1 1 66 66 THR CB C 66 70.679 70.679 71.576 -0.897 25716 5888 1 12 . 1 1 66 66 THR H H 66 7.943 7.943 8.005 -0.062 25716 5889 1 12 . 1 1 67 67 GLY N N 67 109.454 109.454 112.218 -2.764 25716 5890 1 12 . 1 1 67 67 GLY C C 67 172.080 172.080 174.423 -2.343 25716 5891 1 12 . 1 1 67 67 GLY CA C 67 47.245 47.245 45.953 1.292 25716 5892 1 12 . 1 1 67 67 GLY H H 67 8.736 8.736 8.808 -0.072 25716 5893 1 12 . 1 1 68 68 LYS N N 68 118.551 118.551 120.397 -1.846 25716 5894 1 12 . 1 1 68 68 LYS HA H 68 3.851 3.851 4.019 -0.168 25716 5895 1 12 . 1 1 68 68 LYS C C 68 174.455 174.455 178.194 -3.739 25716 5896 1 12 . 1 1 68 68 LYS CA C 68 58.697 58.697 58.804 -0.107 25716 5897 1 12 . 1 1 68 68 LYS CB C 68 32.350 32.350 32.335 0.015 25716 5898 1 12 . 1 1 68 68 LYS H H 68 7.968 7.968 7.355 0.613 25716 5899 1 12 . 1 1 69 69 TYR N N 69 115.203 115.203 114.935 0.268 25716 5900 1 12 . 1 1 69 69 TYR HA H 69 4.213 4.213 4.419 -0.206 25716 5901 1 12 . 1 1 69 69 TYR C C 69 171.772 171.772 177.885 -6.113 25716 5902 1 12 . 1 1 69 69 TYR CA C 69 59.212 59.212 57.729 1.483 25716 5903 1 12 . 1 1 69 69 TYR CB C 69 38.555 38.555 38.835 -0.280 25716 5904 1 12 . 1 1 69 69 TYR H H 69 6.826 6.826 7.447 -0.621 25716 5905 1 12 . 1 1 70 70 PHE N N 70 112.140 112.140 116.521 -4.381 25716 5906 1 12 . 1 1 70 70 PHE HA H 70 4.629 4.629 4.486 0.143 25716 5907 1 12 . 1 1 70 70 PHE C C 70 171.998 171.998 177.015 -5.017 25716 5908 1 12 . 1 1 70 70 PHE CA C 70 57.245 57.245 59.244 -1.999 25716 5909 1 12 . 1 1 70 70 PHE CB C 70 40.329 40.329 38.288 2.042 25716 5910 1 12 . 1 1 70 70 PHE H H 70 7.327 7.327 7.867 -0.540 25716 5911 1 12 . 1 1 71 71 LYS N N 71 113.603 113.603 120.145 -6.542 25716 5912 1 12 . 1 1 71 71 LYS HA H 71 3.875 3.875 4.042 -0.167 25716 5913 1 12 . 1 1 71 71 LYS C C 71 172.963 172.963 176.337 -3.374 25716 5914 1 12 . 1 1 71 71 LYS CA C 71 59.667 59.667 59.277 0.390 25716 5915 1 12 . 1 1 71 71 LYS CB C 71 33.074 33.074 32.879 0.195 25716 5916 1 12 . 1 1 71 71 LYS H H 71 6.925 6.925 8.261 -1.336 25716 5917 1 12 . 1 1 72 72 ASP N N 72 110.434 110.434 111.742 -1.308 25716 5918 1 12 . 1 1 72 72 ASP HA H 72 4.441 4.441 4.967 -0.526 25716 5919 1 12 . 1 1 72 72 ASP C C 72 172.750 172.750 176.558 -3.808 25716 5920 1 12 . 1 1 72 72 ASP CA C 72 52.378 52.378 52.770 -0.392 25716 5921 1 12 . 1 1 72 72 ASP CB C 72 42.426 42.426 43.021 -0.595 25716 5922 1 12 . 1 1 72 72 ASP H H 72 7.363 7.363 7.485 -0.122 25716 5923 1 12 . 1 1 73 73 LEU N N 73 120.273 120.273 118.934 1.339 25716 5924 1 12 . 1 1 73 73 LEU HA H 73 3.920 3.920 3.954 -0.034 25716 5925 1 12 . 1 1 73 73 LEU C C 73 176.648 176.648 178.545 -1.897 25716 5926 1 12 . 1 1 73 73 LEU CA C 73 58.120 58.120 58.025 0.095 25716 5927 1 12 . 1 1 73 73 LEU CB C 73 42.574 42.574 42.002 0.572 25716 5928 1 12 . 1 1 73 73 LEU H H 73 9.983 9.983 8.513 1.470 25716 5929 1 12 . 1 1 74 74 ASN N N 74 119.506 119.506 117.909 1.597 25716 5930 1 12 . 1 1 74 74 ASN HA H 74 4.405 4.405 4.414 -0.009 25716 5931 1 12 . 1 1 74 74 ASN C C 74 174.659 174.659 177.223 -2.564 25716 5932 1 12 . 1 1 74 74 ASN CA C 74 56.287 56.287 56.723 -0.436 25716 5933 1 12 . 1 1 74 74 ASN CB C 74 37.579 37.579 37.925 -0.346 25716 5934 1 12 . 1 1 74 74 ASN H H 74 7.893 7.893 7.956 -0.063 25716 5935 1 12 . 1 1 75 75 ALA N N 75 125.068 125.068 122.957 2.111 25716 5936 1 12 . 1 1 75 75 ALA HA H 75 4.097 4.097 4.178 -0.081 25716 5937 1 12 . 1 1 75 75 ALA C C 75 177.809 177.809 179.521 -1.712 25716 5938 1 12 . 1 1 75 75 ALA CA C 75 55.365 55.365 54.704 0.661 25716 5939 1 12 . 1 1 75 75 ALA CB C 75 18.572 18.572 18.481 0.091 25716 5940 1 12 . 1 1 75 75 ALA H H 75 8.951 8.951 8.048 0.903 25716 5941 1 12 . 1 1 76 76 ILE N N 76 119.561 119.561 119.278 0.283 25716 5942 1 12 . 1 1 76 76 ILE HA H 76 3.615 3.615 3.422 0.193 25716 5943 1 12 . 1 1 76 76 ILE C C 76 175.344 175.344 177.733 -2.389 25716 5944 1 12 . 1 1 76 76 ILE CA C 76 65.272 65.272 64.067 1.205 25716 5945 1 12 . 1 1 76 76 ILE CB C 76 39.056 39.056 36.705 2.351 25716 5946 1 12 . 1 1 76 76 ILE H H 76 8.386 8.386 8.108 0.278 25716 5947 1 12 . 1 1 77 77 SER N N 77 114.090 114.090 115.134 -1.044 25716 5948 1 12 . 1 1 77 77 SER HA H 77 3.878 3.878 4.118 -0.240 25716 5949 1 12 . 1 1 77 77 SER C C 77 173.592 173.592 176.801 -3.209 25716 5950 1 12 . 1 1 77 77 SER CA C 77 62.733 62.733 61.981 0.752 25716 5951 1 12 . 1 1 77 77 SER CB C 77 62.864 62.864 63.149 -0.285 25716 5952 1 12 . 1 1 77 77 SER H H 77 8.250 8.250 8.318 -0.068 25716 5953 1 12 . 1 1 78 78 ARG N N 78 121.670 121.670 118.763 2.907 25716 5954 1 12 . 1 1 78 78 ARG HA H 78 4.129 4.129 4.529 -0.400 25716 5955 1 12 . 1 1 78 78 ARG C C 78 176.111 176.111 178.594 -2.483 25716 5956 1 12 . 1 1 78 78 ARG CA C 78 59.328 59.328 58.687 0.641 25716 5957 1 12 . 1 1 78 78 ARG CB C 78 29.814 29.814 29.421 0.393 25716 5958 1 12 . 1 1 78 78 ARG H H 78 8.086 8.086 7.763 0.323 25716 5959 1 12 . 1 1 79 79 THR N N 79 118.928 118.928 114.511 4.417 25716 5960 1 12 . 1 1 79 79 THR HA H 79 4.525 4.525 4.024 0.501 25716 5961 1 12 . 1 1 79 79 THR C C 79 173.364 173.364 175.860 -2.496 25716 5962 1 12 . 1 1 79 79 THR CA C 79 68.289 68.289 64.500 3.789 25716 5963 1 12 . 1 1 79 79 THR CB C 79 67.268 67.268 68.312 -1.044 25716 5964 1 12 . 1 1 79 79 THR H H 79 8.351 8.351 7.350 1.001 25716 5965 1 12 . 1 1 80 80 VAL N N 80 120.643 120.643 122.078 -1.435 25716 5966 1 12 . 1 1 80 80 VAL HA H 80 3.339 3.339 3.468 -0.129 25716 5967 1 12 . 1 1 80 80 VAL C C 80 174.438 174.438 177.482 -3.044 25716 5968 1 12 . 1 1 80 80 VAL CA C 80 67.603 67.603 66.614 0.989 25716 5969 1 12 . 1 1 80 80 VAL CB C 80 31.532 31.532 31.556 -0.024 25716 5970 1 12 . 1 1 80 80 VAL H H 80 8.242 8.242 7.899 0.343 25716 5971 1 12 . 1 1 81 81 GLU N N 81 118.067 118.067 119.332 -1.265 25716 5972 1 12 . 1 1 81 81 GLU HA H 81 3.943 3.943 3.897 0.046 25716 5973 1 12 . 1 1 81 81 GLU C C 81 176.961 176.961 178.850 -1.889 25716 5974 1 12 . 1 1 81 81 GLU CA C 81 59.974 59.974 59.473 0.501 25716 5975 1 12 . 1 1 81 81 GLU CB C 81 29.817 29.817 29.160 0.657 25716 5976 1 12 . 1 1 81 81 GLU H H 81 8.296 8.296 8.036 0.260 25716 5977 1 12 . 1 1 82 82 GLN N N 82 119.947 119.947 119.964 -0.017 25716 5978 1 12 . 1 1 82 82 GLN HA H 82 4.110 4.110 4.065 0.045 25716 5979 1 12 . 1 1 82 82 GLN C C 82 176.023 176.023 178.309 -2.286 25716 5980 1 12 . 1 1 82 82 GLN CA C 82 58.991 58.991 58.370 0.621 25716 5981 1 12 . 1 1 82 82 GLN CB C 82 28.136 28.136 28.188 -0.052 25716 5982 1 12 . 1 1 82 82 GLN H H 82 8.444 8.444 7.545 0.899 25716 5983 1 12 . 1 1 83 83 LEU N N 83 119.916 119.916 119.625 0.291 25716 5984 1 12 . 1 1 83 83 LEU HA H 83 4.075 4.075 3.934 0.141 25716 5985 1 12 . 1 1 83 83 LEU C C 83 177.753 177.753 178.590 -0.837 25716 5986 1 12 . 1 1 83 83 LEU CA C 83 57.453 57.453 57.182 0.271 25716 5987 1 12 . 1 1 83 83 LEU CB C 83 41.673 41.673 41.324 0.349 25716 5988 1 12 . 1 1 83 83 LEU H H 83 8.149 8.149 8.254 -0.105 25716 5989 1 12 . 1 1 84 84 LYS N N 84 121.059 121.059 120.089 0.970 25716 5990 1 12 . 1 1 84 84 LYS HA H 84 3.951 3.951 3.890 0.061 25716 5991 1 12 . 1 1 84 84 LYS C C 84 176.055 176.055 178.627 -2.572 25716 5992 1 12 . 1 1 84 84 LYS CA C 84 59.328 59.328 59.599 -0.271 25716 5993 1 12 . 1 1 84 84 LYS CB C 84 32.291 32.291 32.162 0.129 25716 5994 1 12 . 1 1 84 84 LYS H H 84 8.373 8.373 7.940 0.433 25716 5995 1 12 . 1 1 85 85 ALA N N 85 122.134 122.134 122.354 -0.220 25716 5996 1 12 . 1 1 85 85 ALA HA H 85 4.188 4.188 3.962 0.226 25716 5997 1 12 . 1 1 85 85 ALA C C 85 177.240 177.240 179.285 -2.045 25716 5998 1 12 . 1 1 85 85 ALA CA C 85 54.423 54.423 55.213 -0.790 25716 5999 1 12 . 1 1 85 85 ALA CB C 85 18.193 18.193 18.429 -0.236 25716 6000 1 12 . 1 1 85 85 ALA H H 85 7.854 7.854 7.717 0.137 25716 6001 1 12 . 1 1 86 86 GLU N N 86 117.813 117.813 118.097 -0.284 25716 6002 1 12 . 1 1 86 86 GLU HA H 86 4.115 4.115 3.976 0.139 25716 6003 1 12 . 1 1 86 86 GLU C C 86 175.547 175.547 177.917 -2.370 25716 6004 1 12 . 1 1 86 86 GLU CA C 86 58.199 58.199 58.837 -0.638 25716 6005 1 12 . 1 1 86 86 GLU CB C 86 29.841 29.841 29.630 0.211 25716 6006 1 12 . 1 1 86 86 GLU H H 86 8.059 8.059 8.142 -0.083 25716 6007 1 12 . 1 1 87 87 SER N N 87 114.771 114.771 113.481 1.290 25716 6008 1 12 . 1 1 87 87 SER HA H 87 4.362 4.362 4.394 -0.032 25716 6009 1 12 . 1 1 87 87 SER C C 87 172.405 172.405 175.962 -3.557 25716 6010 1 12 . 1 1 87 87 SER CA C 87 59.806 59.806 60.605 -0.799 25716 6011 1 12 . 1 1 87 87 SER CB C 87 63.528 63.528 63.468 0.060 25716 6012 1 12 . 1 1 87 87 SER H H 87 7.908 7.908 7.770 0.138 25716 6013 1 12 . 1 1 88 88 ALA N N 88 124.277 124.277 124.080 0.197 25716 6014 1 12 . 1 1 88 88 ALA HA H 88 4.284 4.284 4.244 0.040 25716 6015 1 12 . 1 1 88 88 ALA C C 88 175.489 175.489 178.475 -2.986 25716 6016 1 12 . 1 1 88 88 ALA CA C 88 53.087 53.087 54.635 -1.548 25716 6017 1 12 . 1 1 88 88 ALA CB C 88 18.792 18.792 18.929 -0.137 25716 6018 1 12 . 1 1 88 88 ALA H H 88 7.812 7.812 7.750 0.062 25716 6019 1 12 . 1 1 89 89 LEU N N 89 119.411 119.411 118.625 0.786 25716 6020 1 12 . 1 1 89 89 LEU HA H 89 4.219 4.219 4.449 -0.230 25716 6021 1 12 . 1 1 89 89 LEU C C 89 175.025 175.025 177.205 -2.180 25716 6022 1 12 . 1 1 89 89 LEU CA C 89 55.608 55.608 54.910 0.698 25716 6023 1 12 . 1 1 89 89 LEU CB C 89 42.213 42.213 41.847 0.366 25716 6024 1 12 . 1 1 89 89 LEU H H 89 7.769 7.769 7.848 -0.079 25716 6025 1 13 . 1 1 2 2 ASP HA H 2 4.704 4.704 4.740 -0.036 25716 6026 1 13 . 1 1 2 2 ASP C C 2 173.822 173.822 176.711 -2.889 25716 6027 1 13 . 1 1 2 2 ASP CA C 2 54.130 54.130 53.229 0.901 25716 6028 1 13 . 1 1 2 2 ASP CB C 2 41.601 41.601 41.864 -0.263 25716 6029 1 13 . 1 1 3 3 GLY N N 3 109.376 109.376 108.244 1.132 25716 6030 1 13 . 1 1 3 3 GLY C C 3 172.786 172.786 175.211 -2.425 25716 6031 1 13 . 1 1 3 3 GLY CA C 3 46.704 46.704 46.266 0.438 25716 6032 1 13 . 1 1 3 3 GLY H H 3 8.712 8.712 8.782 -0.070 25716 6033 1 13 . 1 1 4 4 GLU N N 4 120.623 120.623 119.856 0.767 25716 6034 1 13 . 1 1 4 4 GLU HA H 4 4.207 4.207 4.002 0.205 25716 6035 1 13 . 1 1 4 4 GLU C C 4 175.198 175.198 177.757 -2.559 25716 6036 1 13 . 1 1 4 4 GLU CA C 4 58.159 58.159 58.432 -0.273 25716 6037 1 13 . 1 1 4 4 GLU CB C 4 29.793 29.793 28.151 1.642 25716 6038 1 13 . 1 1 4 4 GLU H H 4 8.280 8.280 8.356 -0.076 25716 6039 1 13 . 1 1 5 5 GLU N N 5 121.684 121.684 119.626 2.058 25716 6040 1 13 . 1 1 5 5 GLU HA H 5 4.173 4.173 4.096 0.077 25716 6041 1 13 . 1 1 5 5 GLU C C 5 175.720 175.720 178.819 -3.099 25716 6042 1 13 . 1 1 5 5 GLU CA C 5 58.648 58.648 58.587 0.062 25716 6043 1 13 . 1 1 5 5 GLU CB C 5 29.819 29.819 29.169 0.650 25716 6044 1 13 . 1 1 5 5 GLU H H 5 8.254 8.254 7.673 0.581 25716 6045 1 13 . 1 1 6 6 VAL N N 6 120.195 120.195 119.750 0.445 25716 6046 1 13 . 1 1 6 6 VAL HA H 6 3.594 3.594 3.662 -0.068 25716 6047 1 13 . 1 1 6 6 VAL C C 6 174.638 174.638 178.254 -3.616 25716 6048 1 13 . 1 1 6 6 VAL CA C 6 66.621 66.621 66.318 0.303 25716 6049 1 13 . 1 1 6 6 VAL CB C 6 32.041 32.041 31.502 0.539 25716 6050 1 13 . 1 1 6 6 VAL H H 6 8.137 8.137 7.481 0.656 25716 6051 1 13 . 1 1 7 7 LYS N N 7 118.688 118.688 119.527 -0.839 25716 6052 1 13 . 1 1 7 7 LYS HA H 7 3.776 3.776 3.934 -0.158 25716 6053 1 13 . 1 1 7 7 LYS C C 7 175.192 175.192 179.024 -3.832 25716 6054 1 13 . 1 1 7 7 LYS CA C 7 60.903 60.903 60.119 0.784 25716 6055 1 13 . 1 1 7 7 LYS CB C 7 32.251 32.251 32.243 0.008 25716 6056 1 13 . 1 1 7 7 LYS H H 7 8.099 8.099 7.517 0.582 25716 6057 1 13 . 1 1 8 8 GLU N N 8 117.138 117.138 118.875 -1.737 25716 6058 1 13 . 1 1 8 8 GLU HA H 8 4.188 4.188 4.122 0.066 25716 6059 1 13 . 1 1 8 8 GLU C C 8 176.405 176.405 178.944 -2.539 25716 6060 1 13 . 1 1 8 8 GLU CA C 8 58.635 58.635 59.007 -0.372 25716 6061 1 13 . 1 1 8 8 GLU CB C 8 29.149 29.149 29.291 -0.142 25716 6062 1 13 . 1 1 8 8 GLU H H 8 7.875 7.875 7.894 -0.019 25716 6063 1 13 . 1 1 9 9 LYS N N 9 119.639 119.639 119.682 -0.043 25716 6064 1 13 . 1 1 9 9 LYS HA H 9 4.072 4.072 4.145 -0.073 25716 6065 1 13 . 1 1 9 9 LYS C C 9 177.376 177.376 179.249 -1.873 25716 6066 1 13 . 1 1 9 9 LYS CA C 9 59.994 59.994 59.831 0.163 25716 6067 1 13 . 1 1 9 9 LYS CB C 9 32.471 32.471 32.650 -0.179 25716 6068 1 13 . 1 1 9 9 LYS H H 9 8.102 8.102 7.971 0.131 25716 6069 1 13 . 1 1 10 10 ILE N N 10 119.456 119.456 118.882 0.574 25716 6070 1 13 . 1 1 10 10 ILE HA H 10 3.713 3.713 3.788 -0.075 25716 6071 1 13 . 1 1 10 10 ILE C C 10 174.153 174.153 177.814 -3.661 25716 6072 1 13 . 1 1 10 10 ILE CA C 10 65.549 65.549 64.994 0.555 25716 6073 1 13 . 1 1 10 10 ILE CB C 10 37.522 37.522 37.906 -0.384 25716 6074 1 13 . 1 1 10 10 ILE H H 10 8.210 8.210 8.045 0.165 25716 6075 1 13 . 1 1 11 11 ARG N N 11 121.172 121.172 119.274 1.898 25716 6076 1 13 . 1 1 11 11 ARG HA H 11 3.608 3.608 4.068 -0.460 25716 6077 1 13 . 1 1 11 11 ARG C C 11 174.925 174.925 178.456 -3.531 25716 6078 1 13 . 1 1 11 11 ARG CA C 11 60.617 60.617 58.767 1.850 25716 6079 1 13 . 1 1 11 11 ARG CB C 11 30.480 30.480 29.392 1.087 25716 6080 1 13 . 1 1 11 11 ARG H H 11 8.851 8.851 7.902 0.949 25716 6081 1 13 . 1 1 12 12 ARG N N 12 116.578 116.578 119.161 -2.583 25716 6082 1 13 . 1 1 12 12 ARG HA H 12 3.935 3.935 4.248 -0.313 25716 6083 1 13 . 1 1 12 12 ARG C C 12 174.817 174.817 178.208 -3.391 25716 6084 1 13 . 1 1 12 12 ARG CA C 12 59.162 59.162 57.303 1.859 25716 6085 1 13 . 1 1 12 12 ARG CB C 12 29.476 29.476 29.586 -0.110 25716 6086 1 13 . 1 1 12 12 ARG H H 12 8.126 8.126 7.682 0.444 25716 6087 1 13 . 1 1 13 13 TYR N N 13 119.994 119.994 122.330 -2.336 25716 6088 1 13 . 1 1 13 13 TYR HA H 13 4.047 4.047 4.085 -0.038 25716 6089 1 13 . 1 1 13 13 TYR C C 13 175.273 175.273 177.738 -2.465 25716 6090 1 13 . 1 1 13 13 TYR CA C 13 61.856 61.856 61.198 0.658 25716 6091 1 13 . 1 1 13 13 TYR CB C 13 38.459 38.459 37.633 0.826 25716 6092 1 13 . 1 1 13 13 TYR H H 13 7.758 7.758 7.962 -0.204 25716 6093 1 13 . 1 1 14 14 ILE N N 14 117.754 117.754 119.029 -1.275 25716 6094 1 13 . 1 1 14 14 ILE HA H 14 3.239 3.239 3.407 -0.168 25716 6095 1 13 . 1 1 14 14 ILE C C 14 175.425 175.425 177.219 -1.794 25716 6096 1 13 . 1 1 14 14 ILE CA C 14 65.826 65.826 65.525 0.301 25716 6097 1 13 . 1 1 14 14 ILE CB C 14 37.782 37.782 37.671 0.111 25716 6098 1 13 . 1 1 14 14 ILE H H 14 8.464 8.464 8.264 0.200 25716 6099 1 13 . 1 1 15 15 MET N N 15 116.173 116.173 117.470 -1.297 25716 6100 1 13 . 1 1 15 15 MET HA H 15 3.939 3.939 4.090 -0.151 25716 6101 1 13 . 1 1 15 15 MET C C 15 174.676 174.676 177.764 -3.088 25716 6102 1 13 . 1 1 15 15 MET CA C 15 59.276 59.276 59.027 0.249 25716 6103 1 13 . 1 1 15 15 MET CB C 15 32.885 32.885 32.390 0.495 25716 6104 1 13 . 1 1 15 15 MET H H 15 8.265 8.265 7.532 0.733 25716 6105 1 13 . 1 1 16 16 GLU N N 16 116.398 116.398 117.960 -1.562 25716 6106 1 13 . 1 1 16 16 GLU HA H 16 3.980 3.980 4.082 -0.102 25716 6107 1 13 . 1 1 16 16 GLU C C 16 175.158 175.158 178.276 -3.118 25716 6108 1 13 . 1 1 16 16 GLU CA C 16 58.767 58.767 58.379 0.388 25716 6109 1 13 . 1 1 16 16 GLU CB C 16 30.078 30.078 29.684 0.394 25716 6110 1 13 . 1 1 16 16 GLU H H 16 8.619 8.619 7.601 1.018 25716 6111 1 13 . 1 1 17 17 ASP N N 17 116.973 116.973 117.855 -0.882 25716 6112 1 13 . 1 1 17 17 ASP HA H 17 4.591 4.591 4.522 0.069 25716 6113 1 13 . 1 1 17 17 ASP C C 17 174.240 174.240 177.758 -3.518 25716 6114 1 13 . 1 1 17 17 ASP CA C 17 55.438 55.438 55.593 -0.155 25716 6115 1 13 . 1 1 17 17 ASP CB C 17 42.657 42.657 41.105 1.552 25716 6116 1 13 . 1 1 17 17 ASP H H 17 8.119 8.119 7.783 0.336 25716 6117 1 13 . 1 1 18 18 LEU N N 18 115.667 115.667 119.972 -4.305 25716 6118 1 13 . 1 1 18 18 LEU HA H 18 4.488 4.488 4.124 0.364 25716 6119 1 13 . 1 1 18 18 LEU C C 18 175.062 175.062 177.647 -2.585 25716 6120 1 13 . 1 1 18 18 LEU CA C 18 56.075 56.075 56.567 -0.492 25716 6121 1 13 . 1 1 18 18 LEU CB C 18 41.096 41.096 42.450 -1.354 25716 6122 1 13 . 1 1 18 18 LEU H H 18 7.162 7.162 7.198 -0.036 25716 6123 1 13 . 1 1 19 19 ILE N N 19 120.763 120.763 116.563 4.200 25716 6124 1 13 . 1 1 19 19 ILE HA H 19 3.979 3.979 4.147 -0.168 25716 6125 1 13 . 1 1 19 19 ILE C C 19 174.557 174.557 176.208 -1.651 25716 6126 1 13 . 1 1 19 19 ILE CA C 19 63.809 63.809 61.645 2.164 25716 6127 1 13 . 1 1 19 19 ILE CB C 19 38.044 38.044 39.433 -1.389 25716 6128 1 13 . 1 1 19 19 ILE H H 19 8.017 8.017 7.867 0.150 25716 6129 1 13 . 1 1 20 20 GLY N N 20 108.619 108.619 109.729 -1.110 25716 6130 1 13 . 1 1 20 20 GLY CA C 20 44.560 44.560 45.499 -0.939 25716 6131 1 13 . 1 1 20 20 GLY H H 20 8.126 8.126 8.478 -0.352 25716 6132 1 13 . 1 1 21 21 PRO HA H 21 4.385 4.385 4.554 -0.169 25716 6133 1 13 . 1 1 21 21 PRO C C 21 174.855 174.855 177.574 -2.719 25716 6134 1 13 . 1 1 21 21 PRO CA C 21 64.406 64.406 63.667 0.739 25716 6135 1 13 . 1 1 21 21 PRO CB C 21 32.027 32.027 31.999 0.028 25716 6136 1 13 . 1 1 22 22 SER N N 22 114.165 114.165 117.046 -2.881 25716 6137 1 13 . 1 1 22 22 SER HA H 22 4.394 4.394 4.450 -0.056 25716 6138 1 13 . 1 1 22 22 SER C C 22 171.708 171.708 173.369 -1.661 25716 6139 1 13 . 1 1 22 22 SER CA C 22 58.871 58.871 57.667 1.204 25716 6140 1 13 . 1 1 22 22 SER CB C 22 63.473 63.473 61.483 1.990 25716 6141 1 13 . 1 1 22 22 SER H H 22 8.279 8.279 8.106 0.173 25716 6142 1 13 . 1 1 23 23 ALA N N 23 125.151 125.151 127.493 -2.342 25716 6143 1 13 . 1 1 23 23 ALA HA H 23 4.250 4.250 4.552 -0.302 25716 6144 1 13 . 1 1 23 23 ALA C C 23 174.903 174.903 176.039 -1.136 25716 6145 1 13 . 1 1 23 23 ALA CA C 23 52.851 52.851 51.721 1.130 25716 6146 1 13 . 1 1 23 23 ALA CB C 23 19.376 19.376 19.866 -0.490 25716 6147 1 13 . 1 1 23 23 ALA H H 23 8.040 8.040 7.605 0.435 25716 6148 1 13 . 1 1 24 24 LYS N N 24 120.823 120.823 122.135 -1.312 25716 6149 1 13 . 1 1 24 24 LYS HA H 24 4.346 4.346 4.222 0.124 25716 6150 1 13 . 1 1 24 24 LYS C C 24 174.522 174.522 178.558 -4.036 25716 6151 1 13 . 1 1 24 24 LYS CA C 24 55.938 55.938 55.770 0.168 25716 6152 1 13 . 1 1 24 24 LYS CB C 24 33.187 33.187 33.700 -0.513 25716 6153 1 13 . 1 1 24 24 LYS H H 24 8.306 8.306 8.101 0.205 25716 6154 1 13 . 1 1 25 25 GLU N N 25 121.186 121.186 121.786 -0.600 25716 6155 1 13 . 1 1 25 25 GLU HA H 25 4.114 4.114 4.027 0.087 25716 6156 1 13 . 1 1 25 25 GLU C C 25 173.808 173.808 176.417 -2.609 25716 6157 1 13 . 1 1 25 25 GLU CA C 25 58.023 58.023 59.277 -1.254 25716 6158 1 13 . 1 1 25 25 GLU CB C 25 29.769 29.769 29.334 0.435 25716 6159 1 13 . 1 1 25 25 GLU H H 25 8.569 8.569 9.011 -0.442 25716 6160 1 13 . 1 1 26 26 ASP N N 26 117.111 117.111 118.206 -1.095 25716 6161 1 13 . 1 1 26 26 ASP HA H 26 4.569 4.569 4.888 -0.319 25716 6162 1 13 . 1 1 26 26 ASP C C 26 173.265 173.265 175.458 -2.193 25716 6163 1 13 . 1 1 26 26 ASP CA C 26 54.061 54.061 53.919 0.142 25716 6164 1 13 . 1 1 26 26 ASP CB C 26 40.742 40.742 40.853 -0.111 25716 6165 1 13 . 1 1 26 26 ASP H H 26 8.139 8.139 8.232 -0.093 25716 6166 1 13 . 1 1 27 27 GLU N N 27 118.932 118.932 120.216 -1.284 25716 6167 1 13 . 1 1 27 27 GLU HA H 27 4.239 4.239 4.293 -0.054 25716 6168 1 13 . 1 1 27 27 GLU C C 27 172.838 172.838 175.637 -2.799 25716 6169 1 13 . 1 1 27 27 GLU CA C 27 56.645 56.645 59.124 -2.479 25716 6170 1 13 . 1 1 27 27 GLU CB C 27 30.703 30.703 30.867 -0.164 25716 6171 1 13 . 1 1 27 27 GLU H H 27 7.859 7.859 8.173 -0.314 25716 6172 1 13 . 1 1 28 28 LEU N N 28 121.726 121.726 118.987 2.739 25716 6173 1 13 . 1 1 28 28 LEU HA H 28 4.570 4.570 4.337 0.233 25716 6174 1 13 . 1 1 28 28 LEU C C 28 172.438 172.438 175.246 -2.808 25716 6175 1 13 . 1 1 28 28 LEU CA C 28 54.503 54.503 54.122 0.381 25716 6176 1 13 . 1 1 28 28 LEU CB C 28 43.342 43.342 41.122 2.220 25716 6177 1 13 . 1 1 28 28 LEU H H 28 7.671 7.671 8.028 -0.357 25716 6178 1 13 . 1 1 29 29 ASP N N 29 126.685 126.685 123.741 2.944 25716 6179 1 13 . 1 1 29 29 ASP HA H 29 4.822 4.822 4.900 -0.078 25716 6180 1 13 . 1 1 29 29 ASP C C 29 173.732 173.732 176.964 -3.232 25716 6181 1 13 . 1 1 29 29 ASP CA C 29 52.855 52.855 52.842 0.013 25716 6182 1 13 . 1 1 29 29 ASP CB C 29 43.124 43.124 44.236 -1.112 25716 6183 1 13 . 1 1 29 29 ASP H H 29 8.950 8.950 8.089 0.861 25716 6184 1 13 . 1 1 30 30 ASP N N 30 120.317 120.317 119.558 0.759 25716 6185 1 13 . 1 1 30 30 ASP HA H 30 4.247 4.247 4.356 -0.109 25716 6186 1 13 . 1 1 30 30 ASP C C 30 172.143 172.143 176.477 -4.334 25716 6187 1 13 . 1 1 30 30 ASP CA C 30 57.352 57.352 56.871 0.481 25716 6188 1 13 . 1 1 30 30 ASP CB C 30 40.160 40.160 40.977 -0.817 25716 6189 1 13 . 1 1 30 30 ASP H H 30 8.500 8.500 8.655 -0.155 25716 6190 1 13 . 1 1 31 31 GLN N N 31 111.109 111.109 115.739 -4.630 25716 6191 1 13 . 1 1 31 31 GLN HA H 31 4.590 4.590 4.638 -0.048 25716 6192 1 13 . 1 1 31 31 GLN C C 31 174.343 174.343 175.391 -1.048 25716 6193 1 13 . 1 1 31 31 GLN CA C 31 54.437 54.437 54.468 -0.031 25716 6194 1 13 . 1 1 31 31 GLN CB C 31 30.038 30.038 28.552 1.486 25716 6195 1 13 . 1 1 31 31 GLN H H 31 8.234 8.234 8.264 -0.030 25716 6196 1 13 . 1 1 32 32 THR N N 32 123.333 123.333 119.399 3.934 25716 6197 1 13 . 1 1 32 32 THR HA H 32 3.856 3.856 4.404 -0.548 25716 6198 1 13 . 1 1 32 32 THR CA C 32 62.805 62.805 60.897 1.908 25716 6199 1 13 . 1 1 32 32 THR CB C 32 69.907 69.907 68.979 0.928 25716 6200 1 13 . 1 1 32 32 THR H H 32 7.663 7.663 7.259 0.404 25716 6201 1 13 . 1 1 33 33 PRO HA H 33 4.823 4.823 4.638 0.185 25716 6202 1 13 . 1 1 33 33 PRO C C 33 172.190 172.190 176.990 -4.800 25716 6203 1 13 . 1 1 33 33 PRO CA C 33 61.670 61.670 62.973 -1.303 25716 6204 1 13 . 1 1 33 33 PRO CB C 33 29.880 29.880 31.192 -1.312 25716 6205 1 13 . 1 1 34 34 LEU N N 34 126.562 126.562 123.636 2.926 25716 6206 1 13 . 1 1 34 34 LEU HA H 34 3.820 3.820 3.631 0.189 25716 6207 1 13 . 1 1 34 34 LEU C C 34 176.590 176.590 178.552 -1.962 25716 6208 1 13 . 1 1 34 34 LEU CA C 34 57.808 57.808 58.008 -0.200 25716 6209 1 13 . 1 1 34 34 LEU CB C 34 42.569 42.569 41.426 1.143 25716 6210 1 13 . 1 1 34 34 LEU H H 34 7.988 7.988 8.073 -0.085 25716 6211 1 13 . 1 1 35 35 LEU N N 35 117.687 117.687 118.238 -0.551 25716 6212 1 13 . 1 1 35 35 LEU HA H 35 4.539 4.539 4.107 0.432 25716 6213 1 13 . 1 1 35 35 LEU C C 35 178.411 178.411 178.497 -0.086 25716 6214 1 13 . 1 1 35 35 LEU CA C 35 56.531 56.531 57.833 -1.302 25716 6215 1 13 . 1 1 35 35 LEU CB C 35 41.338 41.338 41.941 -0.603 25716 6216 1 13 . 1 1 35 35 LEU H H 35 8.184 8.184 7.449 0.735 25716 6217 1 13 . 1 1 36 36 GLU N N 36 121.488 121.488 117.749 3.739 25716 6218 1 13 . 1 1 36 36 GLU HA H 36 4.118 4.118 4.143 -0.025 25716 6219 1 13 . 1 1 36 36 GLU C C 36 175.984 175.984 178.393 -2.409 25716 6220 1 13 . 1 1 36 36 GLU CA C 36 59.264 59.264 58.814 0.450 25716 6221 1 13 . 1 1 36 36 GLU CB C 36 29.608 29.608 28.881 0.727 25716 6222 1 13 . 1 1 36 36 GLU H H 36 7.857 7.857 8.179 -0.322 25716 6223 1 13 . 1 1 37 37 TRP N N 37 115.319 115.319 119.895 -4.576 25716 6224 1 13 . 1 1 37 37 TRP HA H 37 4.950 4.950 4.578 0.372 25716 6225 1 13 . 1 1 37 37 TRP C C 37 174.270 174.270 177.617 -3.347 25716 6226 1 13 . 1 1 37 37 TRP CA C 37 56.075 56.075 58.735 -2.660 25716 6227 1 13 . 1 1 37 37 TRP CB C 37 29.050 29.050 29.000 0.050 25716 6228 1 13 . 1 1 37 37 TRP H H 37 8.180 8.180 8.152 0.028 25716 6229 1 13 . 1 1 38 38 GLY N N 38 106.793 106.793 106.160 0.633 25716 6230 1 13 . 1 1 38 38 GLY C C 38 171.784 171.784 175.287 -3.503 25716 6231 1 13 . 1 1 38 38 GLY CA C 38 46.275 46.275 45.740 0.534 25716 6232 1 13 . 1 1 38 38 GLY H H 38 7.704 7.704 7.578 0.126 25716 6233 1 13 . 1 1 39 39 ILE N N 39 120.597 120.597 114.116 6.481 25716 6234 1 13 . 1 1 39 39 ILE HA H 39 3.753 3.753 4.144 -0.391 25716 6235 1 13 . 1 1 39 39 ILE C C 39 174.148 174.148 175.615 -1.467 25716 6236 1 13 . 1 1 39 39 ILE CA C 39 63.934 63.934 62.281 1.653 25716 6237 1 13 . 1 1 39 39 ILE CB C 39 38.673 38.673 38.350 0.323 25716 6238 1 13 . 1 1 39 39 ILE H H 39 7.697 7.697 7.383 0.314 25716 6239 1 13 . 1 1 40 40 LEU N N 40 115.102 115.102 121.510 -6.408 25716 6240 1 13 . 1 1 40 40 LEU HA H 40 4.934 4.934 4.480 0.454 25716 6241 1 13 . 1 1 40 40 LEU C C 40 172.286 172.286 175.873 -3.587 25716 6242 1 13 . 1 1 40 40 LEU CA C 40 52.249 52.249 53.563 -1.314 25716 6243 1 13 . 1 1 40 40 LEU CB C 40 43.454 43.454 40.563 2.891 25716 6244 1 13 . 1 1 40 40 LEU H H 40 7.307 7.307 7.732 -0.425 25716 6245 1 13 . 1 1 41 41 ASN N N 41 117.306 117.306 120.534 -3.228 25716 6246 1 13 . 1 1 41 41 ASN HA H 41 4.589 4.589 4.767 -0.178 25716 6247 1 13 . 1 1 41 41 ASN C C 41 171.807 171.807 175.373 -3.566 25716 6248 1 13 . 1 1 41 41 ASN CA C 41 52.017 52.017 52.937 -0.920 25716 6249 1 13 . 1 1 41 41 ASN CB C 41 39.872 39.872 40.659 -0.787 25716 6250 1 13 . 1 1 41 41 ASN H H 41 8.466 8.466 8.339 0.127 25716 6251 1 13 . 1 1 42 42 SER N N 42 113.236 113.236 116.373 -3.137 25716 6252 1 13 . 1 1 42 42 SER HA H 42 4.116 4.116 4.225 -0.109 25716 6253 1 13 . 1 1 42 42 SER C C 42 171.631 171.631 176.402 -4.771 25716 6254 1 13 . 1 1 42 42 SER CA C 42 60.951 60.951 60.940 0.011 25716 6255 1 13 . 1 1 42 42 SER CB C 42 65.868 65.868 63.014 2.854 25716 6256 1 13 . 1 1 42 42 SER H H 42 9.138 9.138 8.768 0.370 25716 6257 1 13 . 1 1 43 43 MET N N 43 118.797 118.797 118.910 -0.113 25716 6258 1 13 . 1 1 43 43 MET HA H 43 4.467 4.467 4.391 0.076 25716 6259 1 13 . 1 1 43 43 MET CA C 43 57.429 57.429 57.703 -0.274 25716 6260 1 13 . 1 1 43 43 MET CB C 43 32.494 32.494 32.127 0.367 25716 6261 1 13 . 1 1 43 43 MET H H 43 8.292 8.292 8.199 0.093 25716 6262 1 13 . 1 1 44 44 ASN N N 44 117.701 117.701 116.427 1.274 25716 6263 1 13 . 1 1 44 44 ASN HA H 44 4.686 4.686 4.666 0.020 25716 6264 1 13 . 1 1 44 44 ASN C C 44 175.889 175.889 176.916 -1.027 25716 6265 1 13 . 1 1 44 44 ASN CA C 44 53.826 53.826 54.727 -0.901 25716 6266 1 13 . 1 1 44 44 ASN CB C 44 38.484 38.484 38.605 -0.121 25716 6267 1 13 . 1 1 44 44 ASN H H 44 8.299 8.299 7.781 0.518 25716 6268 1 13 . 1 1 45 45 ILE N N 45 122.124 122.124 121.438 0.686 25716 6269 1 13 . 1 1 45 45 ILE HA H 45 3.783 3.783 3.830 -0.047 25716 6270 1 13 . 1 1 45 45 ILE C C 45 174.370 174.370 176.633 -2.263 25716 6271 1 13 . 1 1 45 45 ILE CA C 45 64.892 64.892 63.445 1.447 25716 6272 1 13 . 1 1 45 45 ILE CB C 45 37.778 37.778 38.138 -0.360 25716 6273 1 13 . 1 1 45 45 ILE H H 45 8.417 8.417 7.946 0.471 25716 6274 1 13 . 1 1 46 46 VAL N N 46 120.176 120.176 115.404 4.772 25716 6275 1 13 . 1 1 46 46 VAL HA H 46 3.714 3.714 3.882 -0.168 25716 6276 1 13 . 1 1 46 46 VAL C C 46 175.129 175.129 177.267 -2.138 25716 6277 1 13 . 1 1 46 46 VAL CA C 46 66.227 66.227 65.390 0.837 25716 6278 1 13 . 1 1 46 46 VAL CB C 46 31.294 31.294 30.655 0.639 25716 6279 1 13 . 1 1 46 46 VAL H H 46 7.394 7.394 7.845 -0.451 25716 6280 1 13 . 1 1 47 47 LYS N N 47 118.640 118.640 119.398 -0.758 25716 6281 1 13 . 1 1 47 47 LYS HA H 47 4.005 4.005 4.234 -0.229 25716 6282 1 13 . 1 1 47 47 LYS CA C 47 60.033 60.033 58.613 1.420 25716 6283 1 13 . 1 1 47 47 LYS CB C 47 32.093 32.093 31.785 0.308 25716 6284 1 13 . 1 1 47 47 LYS H H 47 7.221 7.221 7.410 -0.189 25716 6285 1 13 . 1 1 48 48 LEU N N 48 119.812 119.812 120.586 -0.774 25716 6286 1 13 . 1 1 48 48 LEU HA H 48 4.261 4.261 4.269 -0.008 25716 6287 1 13 . 1 1 48 48 LEU C C 48 175.105 175.105 178.852 -3.747 25716 6288 1 13 . 1 1 48 48 LEU CA C 48 57.717 57.717 57.732 -0.015 25716 6289 1 13 . 1 1 48 48 LEU CB C 48 41.683 41.683 41.906 -0.223 25716 6290 1 13 . 1 1 48 48 LEU H H 48 7.812 7.812 7.340 0.472 25716 6291 1 13 . 1 1 49 49 MET N N 49 118.031 118.031 118.121 -0.090 25716 6292 1 13 . 1 1 49 49 MET HA H 49 3.919 3.919 4.059 -0.140 25716 6293 1 13 . 1 1 49 49 MET C C 49 176.673 176.673 178.921 -2.248 25716 6294 1 13 . 1 1 49 49 MET CA C 49 60.304 60.304 59.602 0.702 25716 6295 1 13 . 1 1 49 49 MET CB C 49 33.071 33.071 32.360 0.711 25716 6296 1 13 . 1 1 49 49 MET H H 49 8.583 8.583 8.062 0.521 25716 6297 1 13 . 1 1 50 50 VAL N N 50 122.370 122.370 116.091 6.279 25716 6298 1 13 . 1 1 50 50 VAL HA H 50 3.497 3.497 3.760 -0.263 25716 6299 1 13 . 1 1 50 50 VAL C C 50 173.639 173.639 177.191 -3.552 25716 6300 1 13 . 1 1 50 50 VAL CA C 50 67.182 67.182 66.150 1.032 25716 6301 1 13 . 1 1 50 50 VAL CB C 50 31.551 31.551 30.959 0.592 25716 6302 1 13 . 1 1 50 50 VAL H H 50 8.246 8.246 7.799 0.447 25716 6303 1 13 . 1 1 51 51 TYR N N 51 121.444 121.444 121.196 0.248 25716 6304 1 13 . 1 1 51 51 TYR HA H 51 4.110 4.110 3.961 0.149 25716 6305 1 13 . 1 1 51 51 TYR C C 51 174.688 174.688 177.126 -2.438 25716 6306 1 13 . 1 1 51 51 TYR CA C 51 61.795 61.795 61.683 0.112 25716 6307 1 13 . 1 1 51 51 TYR CB C 51 38.036 38.036 38.149 -0.113 25716 6308 1 13 . 1 1 51 51 TYR H H 51 7.774 7.774 7.248 0.526 25716 6309 1 13 . 1 1 52 52 ILE N N 52 118.347 118.347 118.888 -0.541 25716 6310 1 13 . 1 1 52 52 ILE HA H 52 3.283 3.283 3.664 -0.381 25716 6311 1 13 . 1 1 52 52 ILE C C 52 175.421 175.421 177.984 -2.563 25716 6312 1 13 . 1 1 52 52 ILE CA C 52 65.477 65.477 64.226 1.251 25716 6313 1 13 . 1 1 52 52 ILE CB C 52 38.703 38.703 37.494 1.209 25716 6314 1 13 . 1 1 52 52 ILE H H 52 8.388 8.388 8.431 -0.043 25716 6315 1 13 . 1 1 53 53 ARG N N 53 121.323 121.323 119.184 2.139 25716 6316 1 13 . 1 1 53 53 ARG HA H 53 3.920 3.920 4.046 -0.126 25716 6317 1 13 . 1 1 53 53 ARG C C 53 176.463 176.463 177.611 -1.148 25716 6318 1 13 . 1 1 53 53 ARG CA C 53 59.458 59.458 59.563 -0.105 25716 6319 1 13 . 1 1 53 53 ARG CB C 53 30.296 30.296 30.090 0.205 25716 6320 1 13 . 1 1 53 53 ARG H H 53 7.831 7.831 7.929 -0.098 25716 6321 1 13 . 1 1 54 54 ASP N N 54 119.945 119.945 118.968 0.977 25716 6322 1 13 . 1 1 54 54 ASP HA H 54 4.319 4.319 4.494 -0.175 25716 6323 1 13 . 1 1 54 54 ASP C C 54 175.314 175.314 177.745 -2.431 25716 6324 1 13 . 1 1 54 54 ASP CA C 54 57.126 57.126 56.466 0.660 25716 6325 1 13 . 1 1 54 54 ASP CB C 54 40.074 40.074 41.289 -1.215 25716 6326 1 13 . 1 1 54 54 ASP H H 54 8.760 8.760 7.648 1.112 25716 6327 1 13 . 1 1 55 55 GLU N N 55 117.530 117.530 118.806 -1.276 25716 6328 1 13 . 1 1 55 55 GLU HA H 55 4.239 4.239 3.961 0.278 25716 6329 1 13 . 1 1 55 55 GLU C C 55 175.224 175.224 177.603 -2.379 25716 6330 1 13 . 1 1 55 55 GLU CA C 55 56.852 56.852 57.626 -0.774 25716 6331 1 13 . 1 1 55 55 GLU CB C 55 29.329 29.329 29.681 -0.352 25716 6332 1 13 . 1 1 55 55 GLU H H 55 8.701 8.701 8.209 0.492 25716 6333 1 13 . 1 1 56 56 MET N N 56 113.874 113.874 115.679 -1.805 25716 6334 1 13 . 1 1 56 56 MET HA H 56 4.566 4.566 4.462 0.104 25716 6335 1 13 . 1 1 56 56 MET C C 56 173.968 173.968 177.200 -3.232 25716 6336 1 13 . 1 1 56 56 MET CA C 56 55.539 55.539 54.731 0.808 25716 6337 1 13 . 1 1 56 56 MET CB C 56 34.094 34.094 34.015 0.079 25716 6338 1 13 . 1 1 56 56 MET H H 56 7.464 7.464 7.526 -0.062 25716 6339 1 13 . 1 1 57 57 GLY N N 57 107.900 107.900 107.259 0.641 25716 6340 1 13 . 1 1 57 57 GLY C C 57 171.496 171.496 173.932 -2.436 25716 6341 1 13 . 1 1 57 57 GLY CA C 57 46.561 46.561 45.287 1.274 25716 6342 1 13 . 1 1 57 57 GLY H H 57 7.291 7.291 7.931 -0.640 25716 6343 1 13 . 1 1 58 58 VAL N N 58 117.126 117.126 120.560 -3.434 25716 6344 1 13 . 1 1 58 58 VAL HA H 58 4.283 4.283 4.209 0.074 25716 6345 1 13 . 1 1 58 58 VAL C C 58 171.116 171.116 174.844 -3.728 25716 6346 1 13 . 1 1 58 58 VAL CA C 58 60.487 60.487 60.888 -0.401 25716 6347 1 13 . 1 1 58 58 VAL CB C 58 34.837 34.837 33.319 1.518 25716 6348 1 13 . 1 1 58 58 VAL H H 58 6.970 6.970 7.640 -0.670 25716 6349 1 13 . 1 1 59 59 SER N N 59 122.188 122.188 122.153 0.035 25716 6350 1 13 . 1 1 59 59 SER HA H 59 4.432 4.432 4.427 0.005 25716 6351 1 13 . 1 1 59 59 SER C C 59 170.766 170.766 174.659 -3.893 25716 6352 1 13 . 1 1 59 59 SER CA C 59 56.563 56.563 57.577 -1.014 25716 6353 1 13 . 1 1 59 59 SER CB C 59 63.106 63.106 64.110 -1.004 25716 6354 1 13 . 1 1 59 59 SER H H 59 8.609 8.609 8.332 0.277 25716 6355 1 13 . 1 1 60 60 ILE N N 60 128.230 128.230 124.874 3.356 25716 6356 1 13 . 1 1 60 60 ILE HA H 60 4.033 4.033 4.319 -0.286 25716 6357 1 13 . 1 1 60 60 ILE CA C 60 58.127 58.127 58.819 -0.692 25716 6358 1 13 . 1 1 60 60 ILE CB C 60 38.217 38.217 37.633 0.584 25716 6359 1 13 . 1 1 60 60 ILE H H 60 8.257 8.257 8.316 -0.059 25716 6360 1 13 . 1 1 61 61 PRO HA H 61 4.501 4.501 4.797 -0.296 25716 6361 1 13 . 1 1 61 61 PRO CA C 61 62.352 62.352 62.093 0.259 25716 6362 1 13 . 1 1 61 61 PRO CB C 61 32.469 32.469 33.105 -0.636 25716 6363 1 13 . 1 1 62 62 SER HA H 62 4.058 4.058 4.213 -0.155 25716 6364 1 13 . 1 1 62 62 SER C C 62 173.269 173.269 175.790 -2.521 25716 6365 1 13 . 1 1 62 62 SER CA C 62 61.511 61.511 60.886 0.625 25716 6366 1 13 . 1 1 62 62 SER CB C 62 62.646 62.646 62.676 -0.030 25716 6367 1 13 . 1 1 63 63 THR N N 63 110.178 110.178 115.650 -5.472 25716 6368 1 13 . 1 1 63 63 THR HA H 63 4.066 4.066 4.184 -0.118 25716 6369 1 13 . 1 1 63 63 THR C C 63 172.917 172.917 174.884 -1.967 25716 6370 1 13 . 1 1 63 63 THR CA C 63 63.007 63.007 63.958 -0.951 25716 6371 1 13 . 1 1 63 63 THR CB C 63 69.323 69.323 68.797 0.525 25716 6372 1 13 . 1 1 63 63 THR H H 63 7.307 7.307 8.078 -0.771 25716 6373 1 13 . 1 1 64 64 HIS N N 64 121.862 121.862 117.185 4.677 25716 6374 1 13 . 1 1 64 64 HIS HA H 64 4.495 4.495 4.134 0.361 25716 6375 1 13 . 1 1 64 64 HIS C C 64 171.495 171.495 174.468 -2.973 25716 6376 1 13 . 1 1 64 64 HIS CA C 64 56.203 56.203 55.813 0.390 25716 6377 1 13 . 1 1 64 64 HIS CB C 64 29.814 29.814 30.472 -0.658 25716 6378 1 13 . 1 1 64 64 HIS H H 64 8.132 8.132 7.753 0.379 25716 6379 1 13 . 1 1 65 65 ILE N N 65 118.536 118.536 121.602 -3.066 25716 6380 1 13 . 1 1 65 65 ILE HA H 65 4.165 4.165 4.465 -0.300 25716 6381 1 13 . 1 1 65 65 ILE C C 65 172.049 172.049 175.077 -3.028 25716 6382 1 13 . 1 1 65 65 ILE CA C 65 60.576 60.576 61.065 -0.489 25716 6383 1 13 . 1 1 65 65 ILE CB C 65 35.561 35.561 37.392 -1.831 25716 6384 1 13 . 1 1 65 65 ILE H H 65 7.223 7.223 7.057 0.166 25716 6385 1 13 . 1 1 66 66 THR N N 66 114.529 114.529 121.467 -6.938 25716 6386 1 13 . 1 1 66 66 THR HA H 66 4.635 4.635 4.570 0.065 25716 6387 1 13 . 1 1 66 66 THR C C 66 172.176 172.176 175.492 -3.316 25716 6388 1 13 . 1 1 66 66 THR CA C 66 59.827 59.827 60.645 -0.818 25716 6389 1 13 . 1 1 66 66 THR CB C 66 70.679 70.679 71.902 -1.223 25716 6390 1 13 . 1 1 66 66 THR H H 66 7.943 7.943 7.846 0.097 25716 6391 1 13 . 1 1 67 67 GLY N N 67 109.454 109.454 109.579 -0.125 25716 6392 1 13 . 1 1 67 67 GLY C C 67 172.080 172.080 174.621 -2.541 25716 6393 1 13 . 1 1 67 67 GLY CA C 67 47.245 47.245 47.127 0.118 25716 6394 1 13 . 1 1 67 67 GLY H H 67 8.736 8.736 8.737 -0.001 25716 6395 1 13 . 1 1 68 68 LYS N N 68 118.551 118.551 118.420 0.131 25716 6396 1 13 . 1 1 68 68 LYS HA H 68 3.851 3.851 4.116 -0.265 25716 6397 1 13 . 1 1 68 68 LYS C C 68 174.455 174.455 177.835 -3.380 25716 6398 1 13 . 1 1 68 68 LYS CA C 68 58.697 58.697 58.090 0.607 25716 6399 1 13 . 1 1 68 68 LYS CB C 68 32.350 32.350 31.901 0.449 25716 6400 1 13 . 1 1 68 68 LYS H H 68 7.968 7.968 8.416 -0.448 25716 6401 1 13 . 1 1 69 69 TYR N N 69 115.203 115.203 117.381 -2.178 25716 6402 1 13 . 1 1 69 69 TYR HA H 69 4.213 4.213 4.352 -0.139 25716 6403 1 13 . 1 1 69 69 TYR C C 69 171.772 171.772 176.475 -4.703 25716 6404 1 13 . 1 1 69 69 TYR CA C 69 59.212 59.212 60.528 -1.316 25716 6405 1 13 . 1 1 69 69 TYR CB C 69 38.555 38.555 39.389 -0.834 25716 6406 1 13 . 1 1 69 69 TYR H H 69 6.826 6.826 7.790 -0.964 25716 6407 1 13 . 1 1 70 70 PHE N N 70 112.140 112.140 114.027 -1.887 25716 6408 1 13 . 1 1 70 70 PHE HA H 70 4.629 4.629 4.674 -0.045 25716 6409 1 13 . 1 1 70 70 PHE C C 70 171.998 171.998 176.366 -4.368 25716 6410 1 13 . 1 1 70 70 PHE CA C 70 57.245 57.245 58.022 -0.777 25716 6411 1 13 . 1 1 70 70 PHE CB C 70 40.329 40.329 38.820 1.509 25716 6412 1 13 . 1 1 70 70 PHE H H 70 7.327 7.327 7.848 -0.521 25716 6413 1 13 . 1 1 71 71 LYS N N 71 113.603 113.603 120.871 -7.268 25716 6414 1 13 . 1 1 71 71 LYS HA H 71 3.875 3.875 4.133 -0.258 25716 6415 1 13 . 1 1 71 71 LYS C C 71 172.963 172.963 175.294 -2.331 25716 6416 1 13 . 1 1 71 71 LYS CA C 71 59.667 59.667 58.999 0.668 25716 6417 1 13 . 1 1 71 71 LYS CB C 71 33.074 33.074 33.136 -0.062 25716 6418 1 13 . 1 1 71 71 LYS H H 71 6.925 6.925 8.113 -1.188 25716 6419 1 13 . 1 1 72 72 ASP N N 72 110.434 110.434 115.747 -5.313 25716 6420 1 13 . 1 1 72 72 ASP HA H 72 4.441 4.441 5.160 -0.719 25716 6421 1 13 . 1 1 72 72 ASP C C 72 172.750 172.750 176.935 -4.185 25716 6422 1 13 . 1 1 72 72 ASP CA C 72 52.378 52.378 52.694 -0.316 25716 6423 1 13 . 1 1 72 72 ASP CB C 72 42.426 42.426 44.728 -2.302 25716 6424 1 13 . 1 1 72 72 ASP H H 72 7.363 7.363 7.649 -0.286 25716 6425 1 13 . 1 1 73 73 LEU N N 73 120.273 120.273 122.156 -1.883 25716 6426 1 13 . 1 1 73 73 LEU HA H 73 3.920 3.920 4.095 -0.175 25716 6427 1 13 . 1 1 73 73 LEU C C 73 176.648 176.648 177.835 -1.187 25716 6428 1 13 . 1 1 73 73 LEU CA C 73 58.120 58.120 57.409 0.711 25716 6429 1 13 . 1 1 73 73 LEU CB C 73 42.574 42.574 42.030 0.544 25716 6430 1 13 . 1 1 73 73 LEU H H 73 9.983 9.983 8.262 1.721 25716 6431 1 13 . 1 1 74 74 ASN N N 74 119.506 119.506 118.451 1.055 25716 6432 1 13 . 1 1 74 74 ASN HA H 74 4.405 4.405 4.249 0.156 25716 6433 1 13 . 1 1 74 74 ASN C C 74 174.659 174.659 177.269 -2.610 25716 6434 1 13 . 1 1 74 74 ASN CA C 74 56.287 56.287 56.929 -0.642 25716 6435 1 13 . 1 1 74 74 ASN CB C 74 37.579 37.579 37.874 -0.295 25716 6436 1 13 . 1 1 74 74 ASN H H 74 7.893 7.893 8.219 -0.326 25716 6437 1 13 . 1 1 75 75 ALA N N 75 125.068 125.068 122.222 2.846 25716 6438 1 13 . 1 1 75 75 ALA HA H 75 4.097 4.097 4.064 0.033 25716 6439 1 13 . 1 1 75 75 ALA C C 75 177.809 177.809 179.915 -2.106 25716 6440 1 13 . 1 1 75 75 ALA CA C 75 55.365 55.365 54.587 0.778 25716 6441 1 13 . 1 1 75 75 ALA CB C 75 18.572 18.572 18.164 0.408 25716 6442 1 13 . 1 1 75 75 ALA H H 75 8.951 8.951 8.055 0.896 25716 6443 1 13 . 1 1 76 76 ILE N N 76 119.561 119.561 118.362 1.199 25716 6444 1 13 . 1 1 76 76 ILE HA H 76 3.615 3.615 3.385 0.230 25716 6445 1 13 . 1 1 76 76 ILE C C 76 175.344 175.344 178.044 -2.700 25716 6446 1 13 . 1 1 76 76 ILE CA C 76 65.272 65.272 65.006 0.266 25716 6447 1 13 . 1 1 76 76 ILE CB C 76 39.056 39.056 37.805 1.251 25716 6448 1 13 . 1 1 76 76 ILE H H 76 8.386 8.386 7.826 0.560 25716 6449 1 13 . 1 1 77 77 SER N N 77 114.090 114.090 115.170 -1.080 25716 6450 1 13 . 1 1 77 77 SER HA H 77 3.878 3.878 4.215 -0.337 25716 6451 1 13 . 1 1 77 77 SER C C 77 173.592 173.592 176.531 -2.939 25716 6452 1 13 . 1 1 77 77 SER CA C 77 62.733 62.733 61.350 1.383 25716 6453 1 13 . 1 1 77 77 SER CB C 77 62.864 62.864 63.214 -0.350 25716 6454 1 13 . 1 1 77 77 SER H H 77 8.250 8.250 8.055 0.195 25716 6455 1 13 . 1 1 78 78 ARG N N 78 121.670 121.670 119.535 2.135 25716 6456 1 13 . 1 1 78 78 ARG HA H 78 4.129 4.129 4.294 -0.165 25716 6457 1 13 . 1 1 78 78 ARG C C 78 176.111 176.111 178.410 -2.299 25716 6458 1 13 . 1 1 78 78 ARG CA C 78 59.328 59.328 59.077 0.251 25716 6459 1 13 . 1 1 78 78 ARG CB C 78 29.814 29.814 29.425 0.389 25716 6460 1 13 . 1 1 78 78 ARG H H 78 8.086 8.086 8.141 -0.055 25716 6461 1 13 . 1 1 79 79 THR N N 79 118.928 118.928 114.663 4.265 25716 6462 1 13 . 1 1 79 79 THR HA H 79 4.525 4.525 4.242 0.283 25716 6463 1 13 . 1 1 79 79 THR C C 79 173.364 173.364 176.014 -2.650 25716 6464 1 13 . 1 1 79 79 THR CA C 79 68.289 68.289 65.337 2.952 25716 6465 1 13 . 1 1 79 79 THR CB C 79 67.268 67.268 68.865 -1.597 25716 6466 1 13 . 1 1 79 79 THR H H 79 8.351 8.351 7.457 0.894 25716 6467 1 13 . 1 1 80 80 VAL N N 80 120.643 120.643 121.172 -0.529 25716 6468 1 13 . 1 1 80 80 VAL HA H 80 3.339 3.339 3.659 -0.320 25716 6469 1 13 . 1 1 80 80 VAL C C 80 174.438 174.438 178.133 -3.695 25716 6470 1 13 . 1 1 80 80 VAL CA C 80 67.603 67.603 66.499 1.104 25716 6471 1 13 . 1 1 80 80 VAL CB C 80 31.532 31.532 31.125 0.407 25716 6472 1 13 . 1 1 80 80 VAL H H 80 8.242 8.242 7.491 0.751 25716 6473 1 13 . 1 1 81 81 GLU N N 81 118.067 118.067 119.116 -1.049 25716 6474 1 13 . 1 1 81 81 GLU HA H 81 3.943 3.943 3.998 -0.055 25716 6475 1 13 . 1 1 81 81 GLU C C 81 176.961 176.961 178.753 -1.792 25716 6476 1 13 . 1 1 81 81 GLU CA C 81 59.974 59.974 59.219 0.755 25716 6477 1 13 . 1 1 81 81 GLU CB C 81 29.817 29.817 29.165 0.652 25716 6478 1 13 . 1 1 81 81 GLU H H 81 8.296 8.296 7.898 0.398 25716 6479 1 13 . 1 1 82 82 GLN N N 82 119.947 119.947 119.095 0.852 25716 6480 1 13 . 1 1 82 82 GLN HA H 82 4.110 4.110 4.209 -0.099 25716 6481 1 13 . 1 1 82 82 GLN C C 82 176.023 176.023 178.048 -2.025 25716 6482 1 13 . 1 1 82 82 GLN CA C 82 58.991 58.991 57.887 1.104 25716 6483 1 13 . 1 1 82 82 GLN CB C 82 28.136 28.136 28.693 -0.557 25716 6484 1 13 . 1 1 82 82 GLN H H 82 8.444 8.444 7.597 0.847 25716 6485 1 13 . 1 1 83 83 LEU N N 83 119.916 119.916 120.639 -0.723 25716 6486 1 13 . 1 1 83 83 LEU HA H 83 4.075 4.075 4.019 0.056 25716 6487 1 13 . 1 1 83 83 LEU C C 83 177.753 177.753 178.573 -0.820 25716 6488 1 13 . 1 1 83 83 LEU CA C 83 57.453 57.453 56.997 0.456 25716 6489 1 13 . 1 1 83 83 LEU CB C 83 41.673 41.673 41.596 0.077 25716 6490 1 13 . 1 1 83 83 LEU H H 83 8.149 8.149 8.374 -0.225 25716 6491 1 13 . 1 1 84 84 LYS N N 84 121.059 121.059 120.187 0.872 25716 6492 1 13 . 1 1 84 84 LYS HA H 84 3.951 3.951 3.966 -0.015 25716 6493 1 13 . 1 1 84 84 LYS C C 84 176.055 176.055 177.483 -1.428 25716 6494 1 13 . 1 1 84 84 LYS CA C 84 59.328 59.328 58.962 0.366 25716 6495 1 13 . 1 1 84 84 LYS CB C 84 32.291 32.291 32.294 -0.003 25716 6496 1 13 . 1 1 84 84 LYS H H 84 8.373 8.373 7.992 0.381 25716 6497 1 13 . 1 1 85 85 ALA N N 85 122.134 122.134 120.897 1.237 25716 6498 1 13 . 1 1 85 85 ALA HA H 85 4.188 4.188 4.300 -0.112 25716 6499 1 13 . 1 1 85 85 ALA C C 85 177.240 177.240 179.205 -1.965 25716 6500 1 13 . 1 1 85 85 ALA CA C 85 54.423 54.423 53.996 0.427 25716 6501 1 13 . 1 1 85 85 ALA CB C 85 18.193 18.193 19.349 -1.156 25716 6502 1 13 . 1 1 85 85 ALA H H 85 7.854 7.854 7.271 0.583 25716 6503 1 13 . 1 1 86 86 GLU N N 86 117.813 117.813 118.959 -1.146 25716 6504 1 13 . 1 1 86 86 GLU HA H 86 4.115 4.115 3.929 0.186 25716 6505 1 13 . 1 1 86 86 GLU C C 86 175.547 175.547 179.120 -3.573 25716 6506 1 13 . 1 1 86 86 GLU CA C 86 58.199 58.199 59.453 -1.254 25716 6507 1 13 . 1 1 86 86 GLU CB C 86 29.841 29.841 29.624 0.217 25716 6508 1 13 . 1 1 86 86 GLU H H 86 8.059 8.059 8.248 -0.189 25716 6509 1 13 . 1 1 87 87 SER N N 87 114.771 114.771 114.630 0.141 25716 6510 1 13 . 1 1 87 87 SER HA H 87 4.362 4.362 4.256 0.106 25716 6511 1 13 . 1 1 87 87 SER C C 87 172.405 172.405 175.393 -2.988 25716 6512 1 13 . 1 1 87 87 SER CA C 87 59.806 59.806 60.874 -1.068 25716 6513 1 13 . 1 1 87 87 SER CB C 87 63.528 63.528 62.680 0.848 25716 6514 1 13 . 1 1 87 87 SER H H 87 7.908 7.908 7.996 -0.088 25716 6515 1 13 . 1 1 88 88 ALA N N 88 124.277 124.277 123.827 0.450 25716 6516 1 13 . 1 1 88 88 ALA HA H 88 4.284 4.284 4.148 0.136 25716 6517 1 13 . 1 1 88 88 ALA C C 88 175.489 175.489 179.044 -3.555 25716 6518 1 13 . 1 1 88 88 ALA CA C 88 53.087 53.087 53.846 -0.759 25716 6519 1 13 . 1 1 88 88 ALA CB C 88 18.792 18.792 18.965 -0.173 25716 6520 1 13 . 1 1 88 88 ALA H H 88 7.812 7.812 7.367 0.445 25716 6521 1 13 . 1 1 89 89 LEU N N 89 119.411 119.411 118.666 0.745 25716 6522 1 13 . 1 1 89 89 LEU HA H 89 4.219 4.219 4.162 0.057 25716 6523 1 13 . 1 1 89 89 LEU C C 89 175.025 175.025 177.923 -2.898 25716 6524 1 13 . 1 1 89 89 LEU CA C 89 55.608 55.608 55.898 -0.290 25716 6525 1 13 . 1 1 89 89 LEU CB C 89 42.213 42.213 42.141 0.072 25716 6526 1 13 . 1 1 89 89 LEU H H 89 7.769 7.769 7.900 -0.131 25716 6527 1 14 . 1 1 2 2 ASP HA H 2 4.704 4.704 4.776 -0.072 25716 6528 1 14 . 1 1 2 2 ASP C C 2 173.822 173.822 174.568 -0.746 25716 6529 1 14 . 1 1 2 2 ASP CA C 2 54.130 54.130 53.791 0.339 25716 6530 1 14 . 1 1 2 2 ASP CB C 2 41.601 41.601 42.816 -1.215 25716 6531 1 14 . 1 1 3 3 GLY N N 3 109.376 109.376 106.592 2.784 25716 6532 1 14 . 1 1 3 3 GLY C C 3 172.786 172.786 175.518 -2.732 25716 6533 1 14 . 1 1 3 3 GLY CA C 3 46.704 46.704 45.578 1.125 25716 6534 1 14 . 1 1 3 3 GLY H H 3 8.712 8.712 8.419 0.293 25716 6535 1 14 . 1 1 4 4 GLU N N 4 120.623 120.623 120.261 0.362 25716 6536 1 14 . 1 1 4 4 GLU HA H 4 4.207 4.207 4.098 0.109 25716 6537 1 14 . 1 1 4 4 GLU C C 4 175.198 175.198 178.216 -3.018 25716 6538 1 14 . 1 1 4 4 GLU CA C 4 58.159 58.159 58.491 -0.332 25716 6539 1 14 . 1 1 4 4 GLU CB C 4 29.793 29.793 29.391 0.402 25716 6540 1 14 . 1 1 4 4 GLU H H 4 8.280 8.280 8.673 -0.393 25716 6541 1 14 . 1 1 5 5 GLU N N 5 121.684 121.684 119.885 1.799 25716 6542 1 14 . 1 1 5 5 GLU HA H 5 4.173 4.173 4.326 -0.153 25716 6543 1 14 . 1 1 5 5 GLU C C 5 175.720 175.720 178.388 -2.668 25716 6544 1 14 . 1 1 5 5 GLU CA C 5 58.648 58.648 59.093 -0.445 25716 6545 1 14 . 1 1 5 5 GLU CB C 5 29.819 29.819 29.266 0.553 25716 6546 1 14 . 1 1 5 5 GLU H H 5 8.254 8.254 8.448 -0.194 25716 6547 1 14 . 1 1 6 6 VAL N N 6 120.195 120.195 120.019 0.176 25716 6548 1 14 . 1 1 6 6 VAL HA H 6 3.594 3.594 3.588 0.006 25716 6549 1 14 . 1 1 6 6 VAL C C 6 174.638 174.638 178.376 -3.738 25716 6550 1 14 . 1 1 6 6 VAL CA C 6 66.621 66.621 66.321 0.300 25716 6551 1 14 . 1 1 6 6 VAL CB C 6 32.041 32.041 31.654 0.387 25716 6552 1 14 . 1 1 6 6 VAL H H 6 8.137 8.137 7.989 0.148 25716 6553 1 14 . 1 1 7 7 LYS N N 7 118.688 118.688 118.625 0.063 25716 6554 1 14 . 1 1 7 7 LYS HA H 7 3.776 3.776 3.976 -0.200 25716 6555 1 14 . 1 1 7 7 LYS C C 7 175.192 175.192 178.691 -3.499 25716 6556 1 14 . 1 1 7 7 LYS CA C 7 60.903 60.903 60.210 0.693 25716 6557 1 14 . 1 1 7 7 LYS CB C 7 32.251 32.251 32.086 0.165 25716 6558 1 14 . 1 1 7 7 LYS H H 7 8.099 8.099 7.565 0.534 25716 6559 1 14 . 1 1 8 8 GLU N N 8 117.138 117.138 118.036 -0.898 25716 6560 1 14 . 1 1 8 8 GLU HA H 8 4.188 4.188 4.077 0.111 25716 6561 1 14 . 1 1 8 8 GLU C C 8 176.405 176.405 178.677 -2.272 25716 6562 1 14 . 1 1 8 8 GLU CA C 8 58.635 58.635 59.032 -0.397 25716 6563 1 14 . 1 1 8 8 GLU CB C 8 29.149 29.149 29.017 0.132 25716 6564 1 14 . 1 1 8 8 GLU H H 8 7.875 7.875 7.933 -0.058 25716 6565 1 14 . 1 1 9 9 LYS N N 9 119.639 119.639 120.891 -1.252 25716 6566 1 14 . 1 1 9 9 LYS HA H 9 4.072 4.072 4.223 -0.151 25716 6567 1 14 . 1 1 9 9 LYS C C 9 177.376 177.376 178.924 -1.548 25716 6568 1 14 . 1 1 9 9 LYS CA C 9 59.994 59.994 59.699 0.295 25716 6569 1 14 . 1 1 9 9 LYS CB C 9 32.471 32.471 32.780 -0.309 25716 6570 1 14 . 1 1 9 9 LYS H H 9 8.102 8.102 7.942 0.160 25716 6571 1 14 . 1 1 10 10 ILE N N 10 119.456 119.456 119.236 0.220 25716 6572 1 14 . 1 1 10 10 ILE HA H 10 3.713 3.713 3.697 0.016 25716 6573 1 14 . 1 1 10 10 ILE C C 10 174.153 174.153 178.000 -3.847 25716 6574 1 14 . 1 1 10 10 ILE CA C 10 65.549 65.549 64.855 0.694 25716 6575 1 14 . 1 1 10 10 ILE CB C 10 37.522 37.522 37.951 -0.429 25716 6576 1 14 . 1 1 10 10 ILE H H 10 8.210 8.210 7.963 0.247 25716 6577 1 14 . 1 1 11 11 ARG N N 11 121.172 121.172 119.534 1.638 25716 6578 1 14 . 1 1 11 11 ARG HA H 11 3.608 3.608 4.039 -0.431 25716 6579 1 14 . 1 1 11 11 ARG C C 11 174.925 174.925 178.250 -3.325 25716 6580 1 14 . 1 1 11 11 ARG CA C 11 60.617 60.617 58.815 1.802 25716 6581 1 14 . 1 1 11 11 ARG CB C 11 30.480 30.480 29.144 1.336 25716 6582 1 14 . 1 1 11 11 ARG H H 11 8.851 8.851 8.403 0.448 25716 6583 1 14 . 1 1 12 12 ARG N N 12 116.578 116.578 120.369 -3.791 25716 6584 1 14 . 1 1 12 12 ARG HA H 12 3.935 3.935 4.092 -0.157 25716 6585 1 14 . 1 1 12 12 ARG C C 12 174.817 174.817 178.494 -3.677 25716 6586 1 14 . 1 1 12 12 ARG CA C 12 59.162 59.162 58.621 0.541 25716 6587 1 14 . 1 1 12 12 ARG CB C 12 29.476 29.476 29.384 0.092 25716 6588 1 14 . 1 1 12 12 ARG H H 12 8.126 8.126 7.539 0.587 25716 6589 1 14 . 1 1 13 13 TYR N N 13 119.994 119.994 120.493 -0.499 25716 6590 1 14 . 1 1 13 13 TYR HA H 13 4.047 4.047 4.131 -0.084 25716 6591 1 14 . 1 1 13 13 TYR C C 13 175.273 175.273 177.728 -2.455 25716 6592 1 14 . 1 1 13 13 TYR CA C 13 61.856 61.856 60.999 0.857 25716 6593 1 14 . 1 1 13 13 TYR CB C 13 38.459 38.459 37.767 0.692 25716 6594 1 14 . 1 1 13 13 TYR H H 13 7.758 7.758 7.691 0.067 25716 6595 1 14 . 1 1 14 14 ILE N N 14 117.754 117.754 119.808 -2.054 25716 6596 1 14 . 1 1 14 14 ILE HA H 14 3.239 3.239 3.464 -0.225 25716 6597 1 14 . 1 1 14 14 ILE C C 14 175.425 175.425 177.280 -1.855 25716 6598 1 14 . 1 1 14 14 ILE CA C 14 65.826 65.826 65.406 0.420 25716 6599 1 14 . 1 1 14 14 ILE CB C 14 37.782 37.782 37.656 0.127 25716 6600 1 14 . 1 1 14 14 ILE H H 14 8.464 8.464 7.628 0.836 25716 6601 1 14 . 1 1 15 15 MET N N 15 116.173 116.173 117.173 -1.000 25716 6602 1 14 . 1 1 15 15 MET HA H 15 3.939 3.939 4.181 -0.242 25716 6603 1 14 . 1 1 15 15 MET C C 15 174.676 174.676 177.853 -3.177 25716 6604 1 14 . 1 1 15 15 MET CA C 15 59.276 59.276 58.997 0.279 25716 6605 1 14 . 1 1 15 15 MET CB C 15 32.885 32.885 32.431 0.454 25716 6606 1 14 . 1 1 15 15 MET H H 15 8.265 8.265 7.582 0.683 25716 6607 1 14 . 1 1 16 16 GLU N N 16 116.398 116.398 118.712 -2.314 25716 6608 1 14 . 1 1 16 16 GLU HA H 16 3.980 3.980 4.102 -0.122 25716 6609 1 14 . 1 1 16 16 GLU C C 16 175.158 175.158 178.264 -3.106 25716 6610 1 14 . 1 1 16 16 GLU CA C 16 58.767 58.767 58.660 0.107 25716 6611 1 14 . 1 1 16 16 GLU CB C 16 30.078 30.078 29.755 0.323 25716 6612 1 14 . 1 1 16 16 GLU H H 16 8.619 8.619 7.688 0.931 25716 6613 1 14 . 1 1 17 17 ASP N N 17 116.973 116.973 117.588 -0.615 25716 6614 1 14 . 1 1 17 17 ASP HA H 17 4.591 4.591 4.511 0.080 25716 6615 1 14 . 1 1 17 17 ASP C C 17 174.240 174.240 177.967 -3.727 25716 6616 1 14 . 1 1 17 17 ASP CA C 17 55.438 55.438 55.603 -0.166 25716 6617 1 14 . 1 1 17 17 ASP CB C 17 42.657 42.657 41.465 1.192 25716 6618 1 14 . 1 1 17 17 ASP H H 17 8.119 8.119 7.719 0.400 25716 6619 1 14 . 1 1 18 18 LEU N N 18 115.667 115.667 119.220 -3.553 25716 6620 1 14 . 1 1 18 18 LEU HA H 18 4.488 4.488 4.264 0.224 25716 6621 1 14 . 1 1 18 18 LEU C C 18 175.062 175.062 177.655 -2.593 25716 6622 1 14 . 1 1 18 18 LEU CA C 18 56.075 56.075 56.319 -0.244 25716 6623 1 14 . 1 1 18 18 LEU CB C 18 41.096 41.096 42.933 -1.837 25716 6624 1 14 . 1 1 18 18 LEU H H 18 7.162 7.162 7.207 -0.045 25716 6625 1 14 . 1 1 19 19 ILE N N 19 120.763 120.763 116.199 4.564 25716 6626 1 14 . 1 1 19 19 ILE HA H 19 3.979 3.979 4.357 -0.378 25716 6627 1 14 . 1 1 19 19 ILE C C 19 174.557 174.557 175.701 -1.144 25716 6628 1 14 . 1 1 19 19 ILE CA C 19 63.809 63.809 60.823 2.986 25716 6629 1 14 . 1 1 19 19 ILE CB C 19 38.044 38.044 40.915 -2.871 25716 6630 1 14 . 1 1 19 19 ILE H H 19 8.017 8.017 7.916 0.101 25716 6631 1 14 . 1 1 20 20 GLY N N 20 108.619 108.619 109.597 -0.978 25716 6632 1 14 . 1 1 20 20 GLY CA C 20 44.560 44.560 44.953 -0.393 25716 6633 1 14 . 1 1 20 20 GLY H H 20 8.126 8.126 8.447 -0.320 25716 6634 1 14 . 1 1 21 21 PRO HA H 21 4.385 4.385 4.502 -0.117 25716 6635 1 14 . 1 1 21 21 PRO C C 21 174.855 174.855 176.909 -2.054 25716 6636 1 14 . 1 1 21 21 PRO CA C 21 64.406 64.406 63.849 0.557 25716 6637 1 14 . 1 1 21 21 PRO CB C 21 32.027 32.027 31.984 0.043 25716 6638 1 14 . 1 1 22 22 SER N N 22 114.165 114.165 113.058 1.107 25716 6639 1 14 . 1 1 22 22 SER HA H 22 4.394 4.394 4.407 -0.013 25716 6640 1 14 . 1 1 22 22 SER C C 22 171.708 171.708 174.476 -2.768 25716 6641 1 14 . 1 1 22 22 SER CA C 22 58.871 58.871 57.951 0.920 25716 6642 1 14 . 1 1 22 22 SER CB C 22 63.473 63.473 62.920 0.553 25716 6643 1 14 . 1 1 22 22 SER H H 22 8.279 8.279 7.898 0.381 25716 6644 1 14 . 1 1 23 23 ALA N N 23 125.151 125.151 124.059 1.092 25716 6645 1 14 . 1 1 23 23 ALA HA H 23 4.250 4.250 4.600 -0.350 25716 6646 1 14 . 1 1 23 23 ALA C C 23 174.903 174.903 175.768 -0.865 25716 6647 1 14 . 1 1 23 23 ALA CA C 23 52.851 52.851 51.149 1.702 25716 6648 1 14 . 1 1 23 23 ALA CB C 23 19.376 19.376 19.132 0.244 25716 6649 1 14 . 1 1 23 23 ALA H H 23 8.040 8.040 7.303 0.737 25716 6650 1 14 . 1 1 24 24 LYS N N 24 120.823 120.823 121.300 -0.477 25716 6651 1 14 . 1 1 24 24 LYS HA H 24 4.346 4.346 4.222 0.124 25716 6652 1 14 . 1 1 24 24 LYS C C 24 174.522 174.522 178.301 -3.779 25716 6653 1 14 . 1 1 24 24 LYS CA C 24 55.938 55.938 55.737 0.201 25716 6654 1 14 . 1 1 24 24 LYS CB C 24 33.187 33.187 33.185 0.002 25716 6655 1 14 . 1 1 24 24 LYS H H 24 8.306 8.306 7.993 0.313 25716 6656 1 14 . 1 1 25 25 GLU N N 25 121.186 121.186 120.935 0.251 25716 6657 1 14 . 1 1 25 25 GLU HA H 25 4.114 4.114 4.060 0.054 25716 6658 1 14 . 1 1 25 25 GLU C C 25 173.808 173.808 176.336 -2.528 25716 6659 1 14 . 1 1 25 25 GLU CA C 25 58.023 58.023 59.484 -1.461 25716 6660 1 14 . 1 1 25 25 GLU CB C 25 29.769 29.769 29.616 0.153 25716 6661 1 14 . 1 1 25 25 GLU H H 25 8.569 8.569 8.802 -0.233 25716 6662 1 14 . 1 1 26 26 ASP N N 26 117.111 117.111 114.847 2.264 25716 6663 1 14 . 1 1 26 26 ASP HA H 26 4.569 4.569 4.807 -0.238 25716 6664 1 14 . 1 1 26 26 ASP C C 26 173.265 173.265 175.629 -2.364 25716 6665 1 14 . 1 1 26 26 ASP CA C 26 54.061 54.061 53.763 0.298 25716 6666 1 14 . 1 1 26 26 ASP CB C 26 40.742 40.742 40.911 -0.169 25716 6667 1 14 . 1 1 26 26 ASP H H 26 8.139 8.139 8.156 -0.017 25716 6668 1 14 . 1 1 27 27 GLU N N 27 118.932 118.932 119.950 -1.018 25716 6669 1 14 . 1 1 27 27 GLU HA H 27 4.239 4.239 4.468 -0.229 25716 6670 1 14 . 1 1 27 27 GLU C C 27 172.838 172.838 176.548 -3.710 25716 6671 1 14 . 1 1 27 27 GLU CA C 27 56.645 56.645 57.493 -0.848 25716 6672 1 14 . 1 1 27 27 GLU CB C 27 30.703 30.703 30.883 -0.180 25716 6673 1 14 . 1 1 27 27 GLU H H 27 7.859 7.859 8.167 -0.308 25716 6674 1 14 . 1 1 28 28 LEU N N 28 121.726 121.726 121.000 0.726 25716 6675 1 14 . 1 1 28 28 LEU HA H 28 4.570 4.570 4.422 0.148 25716 6676 1 14 . 1 1 28 28 LEU C C 28 172.438 172.438 175.807 -3.369 25716 6677 1 14 . 1 1 28 28 LEU CA C 28 54.503 54.503 54.010 0.493 25716 6678 1 14 . 1 1 28 28 LEU CB C 28 43.342 43.342 40.755 2.587 25716 6679 1 14 . 1 1 28 28 LEU H H 28 7.671 7.671 7.536 0.135 25716 6680 1 14 . 1 1 29 29 ASP N N 29 126.685 126.685 124.843 1.842 25716 6681 1 14 . 1 1 29 29 ASP HA H 29 4.822 4.822 4.884 -0.062 25716 6682 1 14 . 1 1 29 29 ASP C C 29 173.732 173.732 176.825 -3.093 25716 6683 1 14 . 1 1 29 29 ASP CA C 29 52.855 52.855 53.431 -0.576 25716 6684 1 14 . 1 1 29 29 ASP CB C 29 43.124 43.124 43.625 -0.501 25716 6685 1 14 . 1 1 29 29 ASP H H 29 8.950 8.950 8.852 0.098 25716 6686 1 14 . 1 1 30 30 ASP N N 30 120.317 120.317 117.622 2.695 25716 6687 1 14 . 1 1 30 30 ASP HA H 30 4.247 4.247 4.358 -0.111 25716 6688 1 14 . 1 1 30 30 ASP C C 30 172.143 172.143 175.966 -3.823 25716 6689 1 14 . 1 1 30 30 ASP CA C 30 57.352 57.352 56.487 0.865 25716 6690 1 14 . 1 1 30 30 ASP CB C 30 40.160 40.160 40.666 -0.506 25716 6691 1 14 . 1 1 30 30 ASP H H 30 8.500 8.500 8.681 -0.181 25716 6692 1 14 . 1 1 31 31 GLN N N 31 111.109 111.109 115.973 -4.864 25716 6693 1 14 . 1 1 31 31 GLN HA H 31 4.590 4.590 4.820 -0.230 25716 6694 1 14 . 1 1 31 31 GLN C C 31 174.343 174.343 175.843 -1.500 25716 6695 1 14 . 1 1 31 31 GLN CA C 31 54.437 54.437 54.495 -0.058 25716 6696 1 14 . 1 1 31 31 GLN CB C 31 30.038 30.038 29.666 0.372 25716 6697 1 14 . 1 1 31 31 GLN H H 31 8.234 8.234 8.015 0.219 25716 6698 1 14 . 1 1 32 32 THR N N 32 123.333 123.333 119.394 3.939 25716 6699 1 14 . 1 1 32 32 THR HA H 32 3.856 3.856 4.185 -0.329 25716 6700 1 14 . 1 1 32 32 THR CA C 32 62.805 62.805 62.524 0.281 25716 6701 1 14 . 1 1 32 32 THR CB C 32 69.907 69.907 68.835 1.072 25716 6702 1 14 . 1 1 32 32 THR H H 32 7.663 7.663 7.303 0.360 25716 6703 1 14 . 1 1 33 33 PRO HA H 33 4.823 4.823 4.598 0.225 25716 6704 1 14 . 1 1 33 33 PRO C C 33 172.190 172.190 177.006 -4.816 25716 6705 1 14 . 1 1 33 33 PRO CA C 33 61.670 61.670 62.694 -1.024 25716 6706 1 14 . 1 1 33 33 PRO CB C 33 29.880 29.880 31.369 -1.489 25716 6707 1 14 . 1 1 34 34 LEU N N 34 126.562 126.562 124.155 2.407 25716 6708 1 14 . 1 1 34 34 LEU HA H 34 3.820 3.820 3.642 0.178 25716 6709 1 14 . 1 1 34 34 LEU C C 34 176.590 176.590 178.537 -1.947 25716 6710 1 14 . 1 1 34 34 LEU CA C 34 57.808 57.808 58.024 -0.216 25716 6711 1 14 . 1 1 34 34 LEU CB C 34 42.569 42.569 41.502 1.067 25716 6712 1 14 . 1 1 34 34 LEU H H 34 7.988 7.988 7.895 0.093 25716 6713 1 14 . 1 1 35 35 LEU N N 35 117.687 117.687 118.128 -0.441 25716 6714 1 14 . 1 1 35 35 LEU HA H 35 4.539 4.539 4.115 0.424 25716 6715 1 14 . 1 1 35 35 LEU C C 35 178.411 178.411 178.587 -0.176 25716 6716 1 14 . 1 1 35 35 LEU CA C 35 56.531 56.531 57.472 -0.942 25716 6717 1 14 . 1 1 35 35 LEU CB C 35 41.338 41.338 42.008 -0.670 25716 6718 1 14 . 1 1 35 35 LEU H H 35 8.184 8.184 7.509 0.675 25716 6719 1 14 . 1 1 36 36 GLU N N 36 121.488 121.488 119.162 2.326 25716 6720 1 14 . 1 1 36 36 GLU HA H 36 4.118 4.118 4.132 -0.014 25716 6721 1 14 . 1 1 36 36 GLU C C 36 175.984 175.984 178.387 -2.403 25716 6722 1 14 . 1 1 36 36 GLU CA C 36 59.264 59.264 59.022 0.242 25716 6723 1 14 . 1 1 36 36 GLU CB C 36 29.608 29.608 29.259 0.348 25716 6724 1 14 . 1 1 36 36 GLU H H 36 7.857 7.857 8.237 -0.380 25716 6725 1 14 . 1 1 37 37 TRP N N 37 115.319 115.319 119.160 -3.841 25716 6726 1 14 . 1 1 37 37 TRP HA H 37 4.950 4.950 4.616 0.334 25716 6727 1 14 . 1 1 37 37 TRP C C 37 174.270 174.270 177.277 -3.007 25716 6728 1 14 . 1 1 37 37 TRP CA C 37 56.075 56.075 58.484 -2.409 25716 6729 1 14 . 1 1 37 37 TRP CB C 37 29.050 29.050 29.153 -0.103 25716 6730 1 14 . 1 1 37 37 TRP H H 37 8.180 8.180 7.967 0.213 25716 6731 1 14 . 1 1 38 38 GLY N N 38 106.793 106.793 107.411 -0.618 25716 6732 1 14 . 1 1 38 38 GLY C C 38 171.784 171.784 175.390 -3.606 25716 6733 1 14 . 1 1 38 38 GLY CA C 38 46.275 46.275 45.599 0.676 25716 6734 1 14 . 1 1 38 38 GLY H H 38 7.704 7.704 7.566 0.138 25716 6735 1 14 . 1 1 39 39 ILE N N 39 120.597 120.597 114.266 6.331 25716 6736 1 14 . 1 1 39 39 ILE HA H 39 3.753 3.753 4.160 -0.407 25716 6737 1 14 . 1 1 39 39 ILE C C 39 174.148 174.148 175.197 -1.049 25716 6738 1 14 . 1 1 39 39 ILE CA C 39 63.934 63.934 62.215 1.719 25716 6739 1 14 . 1 1 39 39 ILE CB C 39 38.673 38.673 38.301 0.372 25716 6740 1 14 . 1 1 39 39 ILE H H 39 7.697 7.697 7.379 0.318 25716 6741 1 14 . 1 1 40 40 LEU N N 40 115.102 115.102 121.795 -6.693 25716 6742 1 14 . 1 1 40 40 LEU HA H 40 4.934 4.934 4.690 0.244 25716 6743 1 14 . 1 1 40 40 LEU C C 40 172.286 172.286 175.731 -3.445 25716 6744 1 14 . 1 1 40 40 LEU CA C 40 52.249 52.249 53.827 -1.578 25716 6745 1 14 . 1 1 40 40 LEU CB C 40 43.454 43.454 41.386 2.068 25716 6746 1 14 . 1 1 40 40 LEU H H 40 7.307 7.307 7.715 -0.408 25716 6747 1 14 . 1 1 41 41 ASN N N 41 117.306 117.306 121.945 -4.639 25716 6748 1 14 . 1 1 41 41 ASN HA H 41 4.589 4.589 4.890 -0.301 25716 6749 1 14 . 1 1 41 41 ASN C C 41 171.807 171.807 175.035 -3.228 25716 6750 1 14 . 1 1 41 41 ASN CA C 41 52.017 52.017 52.026 -0.009 25716 6751 1 14 . 1 1 41 41 ASN CB C 41 39.872 39.872 40.493 -0.621 25716 6752 1 14 . 1 1 41 41 ASN H H 41 8.466 8.466 8.620 -0.154 25716 6753 1 14 . 1 1 42 42 SER N N 42 113.236 113.236 113.640 -0.404 25716 6754 1 14 . 1 1 42 42 SER HA H 42 4.116 4.116 4.411 -0.295 25716 6755 1 14 . 1 1 42 42 SER C C 42 171.631 171.631 175.994 -4.363 25716 6756 1 14 . 1 1 42 42 SER CA C 42 60.951 60.951 60.369 0.582 25716 6757 1 14 . 1 1 42 42 SER CB C 42 65.868 65.868 62.770 3.098 25716 6758 1 14 . 1 1 42 42 SER H H 42 9.138 9.138 8.543 0.595 25716 6759 1 14 . 1 1 43 43 MET N N 43 118.797 118.797 119.293 -0.496 25716 6760 1 14 . 1 1 43 43 MET HA H 43 4.467 4.467 4.400 0.067 25716 6761 1 14 . 1 1 43 43 MET CA C 43 57.429 57.429 57.571 -0.142 25716 6762 1 14 . 1 1 43 43 MET CB C 43 32.494 32.494 32.522 -0.028 25716 6763 1 14 . 1 1 43 43 MET H H 43 8.292 8.292 8.042 0.250 25716 6764 1 14 . 1 1 44 44 ASN N N 44 117.701 117.701 117.238 0.463 25716 6765 1 14 . 1 1 44 44 ASN HA H 44 4.686 4.686 4.746 -0.060 25716 6766 1 14 . 1 1 44 44 ASN C C 44 175.889 175.889 176.738 -0.849 25716 6767 1 14 . 1 1 44 44 ASN CA C 44 53.826 53.826 54.005 -0.179 25716 6768 1 14 . 1 1 44 44 ASN CB C 44 38.484 38.484 38.910 -0.426 25716 6769 1 14 . 1 1 44 44 ASN H H 44 8.299 8.299 8.081 0.218 25716 6770 1 14 . 1 1 45 45 ILE N N 45 122.124 122.124 121.754 0.370 25716 6771 1 14 . 1 1 45 45 ILE HA H 45 3.783 3.783 3.872 -0.089 25716 6772 1 14 . 1 1 45 45 ILE C C 45 174.370 174.370 176.979 -2.609 25716 6773 1 14 . 1 1 45 45 ILE CA C 45 64.892 64.892 63.727 1.165 25716 6774 1 14 . 1 1 45 45 ILE CB C 45 37.778 37.778 37.825 -0.048 25716 6775 1 14 . 1 1 45 45 ILE H H 45 8.417 8.417 7.810 0.607 25716 6776 1 14 . 1 1 46 46 VAL N N 46 120.176 120.176 114.268 5.908 25716 6777 1 14 . 1 1 46 46 VAL HA H 46 3.714 3.714 3.819 -0.105 25716 6778 1 14 . 1 1 46 46 VAL C C 46 175.129 175.129 177.068 -1.939 25716 6779 1 14 . 1 1 46 46 VAL CA C 46 66.227 66.227 65.679 0.548 25716 6780 1 14 . 1 1 46 46 VAL CB C 46 31.294 31.294 31.331 -0.037 25716 6781 1 14 . 1 1 46 46 VAL H H 46 7.394 7.394 8.031 -0.637 25716 6782 1 14 . 1 1 47 47 LYS N N 47 118.640 118.640 120.144 -1.504 25716 6783 1 14 . 1 1 47 47 LYS HA H 47 4.005 4.005 4.240 -0.235 25716 6784 1 14 . 1 1 47 47 LYS CA C 47 60.033 60.033 58.664 1.369 25716 6785 1 14 . 1 1 47 47 LYS CB C 47 32.093 32.093 31.836 0.257 25716 6786 1 14 . 1 1 47 47 LYS H H 47 7.221 7.221 7.535 -0.314 25716 6787 1 14 . 1 1 48 48 LEU N N 48 119.812 119.812 120.596 -0.784 25716 6788 1 14 . 1 1 48 48 LEU HA H 48 4.261 4.261 4.180 0.081 25716 6789 1 14 . 1 1 48 48 LEU C C 48 175.105 175.105 178.878 -3.773 25716 6790 1 14 . 1 1 48 48 LEU CA C 48 57.717 57.717 58.013 -0.296 25716 6791 1 14 . 1 1 48 48 LEU CB C 48 41.683 41.683 41.917 -0.234 25716 6792 1 14 . 1 1 48 48 LEU H H 48 7.812 7.812 7.607 0.205 25716 6793 1 14 . 1 1 49 49 MET N N 49 118.031 118.031 119.183 -1.152 25716 6794 1 14 . 1 1 49 49 MET HA H 49 3.919 3.919 4.130 -0.211 25716 6795 1 14 . 1 1 49 49 MET C C 49 176.673 176.673 178.470 -1.797 25716 6796 1 14 . 1 1 49 49 MET CA C 49 60.304 60.304 59.389 0.915 25716 6797 1 14 . 1 1 49 49 MET CB C 49 33.071 33.071 32.898 0.173 25716 6798 1 14 . 1 1 49 49 MET H H 49 8.583 8.583 7.959 0.624 25716 6799 1 14 . 1 1 50 50 VAL N N 50 122.370 122.370 115.943 6.427 25716 6800 1 14 . 1 1 50 50 VAL HA H 50 3.497 3.497 3.740 -0.243 25716 6801 1 14 . 1 1 50 50 VAL C C 50 173.639 173.639 177.313 -3.674 25716 6802 1 14 . 1 1 50 50 VAL CA C 50 67.182 67.182 65.376 1.806 25716 6803 1 14 . 1 1 50 50 VAL CB C 50 31.551 31.551 31.366 0.184 25716 6804 1 14 . 1 1 50 50 VAL H H 50 8.246 8.246 7.957 0.289 25716 6805 1 14 . 1 1 51 51 TYR N N 51 121.444 121.444 122.133 -0.689 25716 6806 1 14 . 1 1 51 51 TYR HA H 51 4.110 4.110 3.942 0.168 25716 6807 1 14 . 1 1 51 51 TYR C C 51 174.688 174.688 176.899 -2.211 25716 6808 1 14 . 1 1 51 51 TYR CA C 51 61.795 61.795 62.267 -0.473 25716 6809 1 14 . 1 1 51 51 TYR CB C 51 38.036 38.036 38.359 -0.323 25716 6810 1 14 . 1 1 51 51 TYR H H 51 7.774 7.774 7.405 0.369 25716 6811 1 14 . 1 1 52 52 ILE N N 52 118.347 118.347 117.981 0.366 25716 6812 1 14 . 1 1 52 52 ILE HA H 52 3.283 3.283 3.561 -0.278 25716 6813 1 14 . 1 1 52 52 ILE C C 52 175.421 175.421 177.968 -2.547 25716 6814 1 14 . 1 1 52 52 ILE CA C 52 65.477 65.477 65.287 0.190 25716 6815 1 14 . 1 1 52 52 ILE CB C 52 38.703 38.703 37.653 1.050 25716 6816 1 14 . 1 1 52 52 ILE H H 52 8.388 8.388 8.319 0.069 25716 6817 1 14 . 1 1 53 53 ARG N N 53 121.323 121.323 120.423 0.900 25716 6818 1 14 . 1 1 53 53 ARG HA H 53 3.920 3.920 3.987 -0.067 25716 6819 1 14 . 1 1 53 53 ARG C C 53 176.463 176.463 177.976 -1.513 25716 6820 1 14 . 1 1 53 53 ARG CA C 53 59.458 59.458 59.375 0.083 25716 6821 1 14 . 1 1 53 53 ARG CB C 53 30.296 30.296 29.527 0.769 25716 6822 1 14 . 1 1 53 53 ARG H H 53 7.831 7.831 7.842 -0.011 25716 6823 1 14 . 1 1 54 54 ASP N N 54 119.945 119.945 118.304 1.641 25716 6824 1 14 . 1 1 54 54 ASP HA H 54 4.319 4.319 4.456 -0.137 25716 6825 1 14 . 1 1 54 54 ASP C C 54 175.314 175.314 178.181 -2.867 25716 6826 1 14 . 1 1 54 54 ASP CA C 54 57.126 57.126 56.504 0.622 25716 6827 1 14 . 1 1 54 54 ASP CB C 54 40.074 40.074 40.992 -0.918 25716 6828 1 14 . 1 1 54 54 ASP H H 54 8.760 8.760 7.613 1.147 25716 6829 1 14 . 1 1 55 55 GLU N N 55 117.530 117.530 119.520 -1.990 25716 6830 1 14 . 1 1 55 55 GLU HA H 55 4.239 4.239 3.955 0.284 25716 6831 1 14 . 1 1 55 55 GLU C C 55 175.224 175.224 178.335 -3.111 25716 6832 1 14 . 1 1 55 55 GLU CA C 55 56.852 56.852 58.366 -1.514 25716 6833 1 14 . 1 1 55 55 GLU CB C 55 29.329 29.329 29.498 -0.169 25716 6834 1 14 . 1 1 55 55 GLU H H 55 8.701 8.701 8.037 0.664 25716 6835 1 14 . 1 1 56 56 MET N N 56 113.874 113.874 115.107 -1.233 25716 6836 1 14 . 1 1 56 56 MET HA H 56 4.566 4.566 4.716 -0.150 25716 6837 1 14 . 1 1 56 56 MET C C 56 173.968 173.968 176.729 -2.761 25716 6838 1 14 . 1 1 56 56 MET CA C 56 55.539 55.539 54.910 0.629 25716 6839 1 14 . 1 1 56 56 MET CB C 56 34.094 34.094 33.666 0.428 25716 6840 1 14 . 1 1 56 56 MET H H 56 7.464 7.464 7.512 -0.048 25716 6841 1 14 . 1 1 57 57 GLY N N 57 107.900 107.900 109.280 -1.380 25716 6842 1 14 . 1 1 57 57 GLY C C 57 171.496 171.496 173.493 -1.997 25716 6843 1 14 . 1 1 57 57 GLY CA C 57 46.561 46.561 45.756 0.805 25716 6844 1 14 . 1 1 57 57 GLY H H 57 7.291 7.291 8.108 -0.817 25716 6845 1 14 . 1 1 58 58 VAL N N 58 117.126 117.126 119.190 -2.064 25716 6846 1 14 . 1 1 58 58 VAL HA H 58 4.283 4.283 4.230 0.053 25716 6847 1 14 . 1 1 58 58 VAL C C 58 171.116 171.116 174.814 -3.698 25716 6848 1 14 . 1 1 58 58 VAL CA C 58 60.487 60.487 60.971 -0.484 25716 6849 1 14 . 1 1 58 58 VAL CB C 58 34.837 34.837 33.362 1.475 25716 6850 1 14 . 1 1 58 58 VAL H H 58 6.970 6.970 7.600 -0.630 25716 6851 1 14 . 1 1 59 59 SER N N 59 122.188 122.188 121.765 0.423 25716 6852 1 14 . 1 1 59 59 SER HA H 59 4.432 4.432 4.511 -0.079 25716 6853 1 14 . 1 1 59 59 SER C C 59 170.766 170.766 174.057 -3.291 25716 6854 1 14 . 1 1 59 59 SER CA C 59 56.563 56.563 56.983 -0.420 25716 6855 1 14 . 1 1 59 59 SER CB C 59 63.106 63.106 64.164 -1.058 25716 6856 1 14 . 1 1 59 59 SER H H 59 8.609 8.609 8.377 0.232 25716 6857 1 14 . 1 1 60 60 ILE N N 60 128.230 128.230 128.398 -0.168 25716 6858 1 14 . 1 1 60 60 ILE HA H 60 4.033 4.033 4.323 -0.290 25716 6859 1 14 . 1 1 60 60 ILE CA C 60 58.127 58.127 57.373 0.754 25716 6860 1 14 . 1 1 60 60 ILE CB C 60 38.217 38.217 37.875 0.342 25716 6861 1 14 . 1 1 60 60 ILE H H 60 8.257 8.257 8.252 0.005 25716 6862 1 14 . 1 1 61 61 PRO HA H 61 4.501 4.501 4.639 -0.138 25716 6863 1 14 . 1 1 61 61 PRO CA C 61 62.352 62.352 62.230 0.122 25716 6864 1 14 . 1 1 61 61 PRO CB C 61 32.469 32.469 32.761 -0.292 25716 6865 1 14 . 1 1 62 62 SER HA H 62 4.058 4.058 4.293 -0.235 25716 6866 1 14 . 1 1 62 62 SER C C 62 173.269 173.269 175.941 -2.672 25716 6867 1 14 . 1 1 62 62 SER CA C 62 61.511 61.511 61.328 0.183 25716 6868 1 14 . 1 1 62 62 SER CB C 62 62.646 62.646 62.566 0.080 25716 6869 1 14 . 1 1 63 63 THR N N 63 110.178 110.178 115.553 -5.375 25716 6870 1 14 . 1 1 63 63 THR HA H 63 4.066 4.066 4.194 -0.128 25716 6871 1 14 . 1 1 63 63 THR C C 63 172.917 172.917 175.510 -2.593 25716 6872 1 14 . 1 1 63 63 THR CA C 63 63.007 63.007 64.499 -1.492 25716 6873 1 14 . 1 1 63 63 THR CB C 63 69.323 69.323 68.740 0.583 25716 6874 1 14 . 1 1 63 63 THR H H 63 7.307 7.307 8.145 -0.838 25716 6875 1 14 . 1 1 64 64 HIS N N 64 121.862 121.862 119.869 1.993 25716 6876 1 14 . 1 1 64 64 HIS HA H 64 4.495 4.495 4.584 -0.089 25716 6877 1 14 . 1 1 64 64 HIS C C 64 171.495 171.495 175.230 -3.735 25716 6878 1 14 . 1 1 64 64 HIS CA C 64 56.203 56.203 57.065 -0.862 25716 6879 1 14 . 1 1 64 64 HIS CB C 64 29.814 29.814 30.727 -0.913 25716 6880 1 14 . 1 1 64 64 HIS H H 64 8.132 8.132 7.649 0.483 25716 6881 1 14 . 1 1 65 65 ILE N N 65 118.536 118.536 122.052 -3.516 25716 6882 1 14 . 1 1 65 65 ILE HA H 65 4.165 4.165 3.912 0.253 25716 6883 1 14 . 1 1 65 65 ILE C C 65 172.049 172.049 175.615 -3.566 25716 6884 1 14 . 1 1 65 65 ILE CA C 65 60.576 60.576 61.390 -0.814 25716 6885 1 14 . 1 1 65 65 ILE CB C 65 35.561 35.561 34.973 0.588 25716 6886 1 14 . 1 1 65 65 ILE H H 65 7.223 7.223 7.313 -0.090 25716 6887 1 14 . 1 1 66 66 THR N N 66 114.529 114.529 120.964 -6.435 25716 6888 1 14 . 1 1 66 66 THR HA H 66 4.635 4.635 4.566 0.069 25716 6889 1 14 . 1 1 66 66 THR C C 66 172.176 172.176 175.383 -3.207 25716 6890 1 14 . 1 1 66 66 THR CA C 66 59.827 59.827 60.786 -0.959 25716 6891 1 14 . 1 1 66 66 THR CB C 66 70.679 70.679 72.310 -1.631 25716 6892 1 14 . 1 1 66 66 THR H H 66 7.943 7.943 8.059 -0.116 25716 6893 1 14 . 1 1 67 67 GLY N N 67 109.454 109.454 111.032 -1.578 25716 6894 1 14 . 1 1 67 67 GLY C C 67 172.080 172.080 175.039 -2.959 25716 6895 1 14 . 1 1 67 67 GLY CA C 67 47.245 47.245 46.408 0.837 25716 6896 1 14 . 1 1 67 67 GLY H H 67 8.736 8.736 8.756 -0.020 25716 6897 1 14 . 1 1 68 68 LYS N N 68 118.551 118.551 120.201 -1.650 25716 6898 1 14 . 1 1 68 68 LYS HA H 68 3.851 3.851 3.901 -0.050 25716 6899 1 14 . 1 1 68 68 LYS C C 68 174.455 174.455 178.528 -4.073 25716 6900 1 14 . 1 1 68 68 LYS CA C 68 58.697 58.697 58.694 0.003 25716 6901 1 14 . 1 1 68 68 LYS CB C 68 32.350 32.350 32.087 0.263 25716 6902 1 14 . 1 1 68 68 LYS H H 68 7.968 7.968 7.680 0.288 25716 6903 1 14 . 1 1 69 69 TYR N N 69 115.203 115.203 114.490 0.713 25716 6904 1 14 . 1 1 69 69 TYR HA H 69 4.213 4.213 4.493 -0.280 25716 6905 1 14 . 1 1 69 69 TYR C C 69 171.772 171.772 176.065 -4.293 25716 6906 1 14 . 1 1 69 69 TYR CA C 69 59.212 59.212 58.858 0.354 25716 6907 1 14 . 1 1 69 69 TYR CB C 69 38.555 38.555 38.855 -0.300 25716 6908 1 14 . 1 1 69 69 TYR H H 69 6.826 6.826 7.411 -0.585 25716 6909 1 14 . 1 1 70 70 PHE N N 70 112.140 112.140 114.579 -2.439 25716 6910 1 14 . 1 1 70 70 PHE HA H 70 4.629 4.629 4.710 -0.081 25716 6911 1 14 . 1 1 70 70 PHE C C 70 171.998 171.998 175.766 -3.768 25716 6912 1 14 . 1 1 70 70 PHE CA C 70 57.245 57.245 57.769 -0.524 25716 6913 1 14 . 1 1 70 70 PHE CB C 70 40.329 40.329 39.196 1.133 25716 6914 1 14 . 1 1 70 70 PHE H H 70 7.327 7.327 7.468 -0.141 25716 6915 1 14 . 1 1 71 71 LYS N N 71 113.603 113.603 119.818 -6.215 25716 6916 1 14 . 1 1 71 71 LYS HA H 71 3.875 3.875 4.109 -0.234 25716 6917 1 14 . 1 1 71 71 LYS C C 71 172.963 172.963 176.110 -3.147 25716 6918 1 14 . 1 1 71 71 LYS CA C 71 59.667 59.667 58.616 1.051 25716 6919 1 14 . 1 1 71 71 LYS CB C 71 33.074 33.074 32.671 0.403 25716 6920 1 14 . 1 1 71 71 LYS H H 71 6.925 6.925 7.865 -0.941 25716 6921 1 14 . 1 1 72 72 ASP N N 72 110.434 110.434 115.584 -5.150 25716 6922 1 14 . 1 1 72 72 ASP HA H 72 4.441 4.441 4.844 -0.403 25716 6923 1 14 . 1 1 72 72 ASP C C 72 172.750 172.750 175.402 -2.652 25716 6924 1 14 . 1 1 72 72 ASP CA C 72 52.378 52.378 52.451 -0.073 25716 6925 1 14 . 1 1 72 72 ASP CB C 72 42.426 42.426 43.568 -1.142 25716 6926 1 14 . 1 1 72 72 ASP H H 72 7.363 7.363 7.440 -0.077 25716 6927 1 14 . 1 1 73 73 LEU N N 73 120.273 120.273 118.739 1.534 25716 6928 1 14 . 1 1 73 73 LEU HA H 73 3.920 3.920 4.004 -0.084 25716 6929 1 14 . 1 1 73 73 LEU C C 73 176.648 176.648 178.432 -1.784 25716 6930 1 14 . 1 1 73 73 LEU CA C 73 58.120 58.120 57.199 0.921 25716 6931 1 14 . 1 1 73 73 LEU CB C 73 42.574 42.574 42.049 0.525 25716 6932 1 14 . 1 1 73 73 LEU H H 73 9.983 9.983 8.670 1.313 25716 6933 1 14 . 1 1 74 74 ASN N N 74 119.506 119.506 118.163 1.343 25716 6934 1 14 . 1 1 74 74 ASN HA H 74 4.405 4.405 4.464 -0.059 25716 6935 1 14 . 1 1 74 74 ASN C C 74 174.659 174.659 176.921 -2.262 25716 6936 1 14 . 1 1 74 74 ASN CA C 74 56.287 56.287 56.676 -0.390 25716 6937 1 14 . 1 1 74 74 ASN CB C 74 37.579 37.579 38.365 -0.786 25716 6938 1 14 . 1 1 74 74 ASN H H 74 7.893 7.893 8.227 -0.334 25716 6939 1 14 . 1 1 75 75 ALA N N 75 125.068 125.068 123.106 1.962 25716 6940 1 14 . 1 1 75 75 ALA HA H 75 4.097 4.097 4.178 -0.081 25716 6941 1 14 . 1 1 75 75 ALA C C 75 177.809 177.809 179.945 -2.136 25716 6942 1 14 . 1 1 75 75 ALA CA C 75 55.365 55.365 54.770 0.595 25716 6943 1 14 . 1 1 75 75 ALA CB C 75 18.572 18.572 18.395 0.177 25716 6944 1 14 . 1 1 75 75 ALA H H 75 8.951 8.951 7.649 1.302 25716 6945 1 14 . 1 1 76 76 ILE N N 76 119.561 119.561 119.043 0.518 25716 6946 1 14 . 1 1 76 76 ILE HA H 76 3.615 3.615 3.770 -0.155 25716 6947 1 14 . 1 1 76 76 ILE C C 76 175.344 175.344 178.209 -2.865 25716 6948 1 14 . 1 1 76 76 ILE CA C 76 65.272 65.272 63.386 1.885 25716 6949 1 14 . 1 1 76 76 ILE CB C 76 39.056 39.056 36.536 2.520 25716 6950 1 14 . 1 1 76 76 ILE H H 76 8.386 8.386 7.981 0.405 25716 6951 1 14 . 1 1 77 77 SER N N 77 114.090 114.090 115.579 -1.489 25716 6952 1 14 . 1 1 77 77 SER HA H 77 3.878 3.878 4.181 -0.303 25716 6953 1 14 . 1 1 77 77 SER C C 77 173.592 173.592 176.466 -2.874 25716 6954 1 14 . 1 1 77 77 SER CA C 77 62.733 62.733 61.287 1.446 25716 6955 1 14 . 1 1 77 77 SER CB C 77 62.864 62.864 63.131 -0.267 25716 6956 1 14 . 1 1 77 77 SER H H 77 8.250 8.250 8.214 0.036 25716 6957 1 14 . 1 1 78 78 ARG N N 78 121.670 121.670 118.846 2.824 25716 6958 1 14 . 1 1 78 78 ARG HA H 78 4.129 4.129 4.514 -0.385 25716 6959 1 14 . 1 1 78 78 ARG C C 78 176.111 176.111 178.767 -2.656 25716 6960 1 14 . 1 1 78 78 ARG CA C 78 59.328 59.328 58.934 0.394 25716 6961 1 14 . 1 1 78 78 ARG CB C 78 29.814 29.814 29.453 0.361 25716 6962 1 14 . 1 1 78 78 ARG H H 78 8.086 8.086 8.035 0.051 25716 6963 1 14 . 1 1 79 79 THR N N 79 118.928 118.928 113.933 4.995 25716 6964 1 14 . 1 1 79 79 THR HA H 79 4.525 4.525 4.242 0.283 25716 6965 1 14 . 1 1 79 79 THR C C 79 173.364 173.364 176.041 -2.677 25716 6966 1 14 . 1 1 79 79 THR CA C 79 68.289 68.289 64.571 3.718 25716 6967 1 14 . 1 1 79 79 THR CB C 79 67.268 67.268 68.552 -1.284 25716 6968 1 14 . 1 1 79 79 THR H H 79 8.351 8.351 7.455 0.896 25716 6969 1 14 . 1 1 80 80 VAL N N 80 120.643 120.643 122.227 -1.584 25716 6970 1 14 . 1 1 80 80 VAL HA H 80 3.339 3.339 3.580 -0.241 25716 6971 1 14 . 1 1 80 80 VAL C C 80 174.438 174.438 177.839 -3.401 25716 6972 1 14 . 1 1 80 80 VAL CA C 80 67.603 67.603 66.299 1.304 25716 6973 1 14 . 1 1 80 80 VAL CB C 80 31.532 31.532 31.062 0.470 25716 6974 1 14 . 1 1 80 80 VAL H H 80 8.242 8.242 7.960 0.282 25716 6975 1 14 . 1 1 81 81 GLU N N 81 118.067 118.067 119.254 -1.187 25716 6976 1 14 . 1 1 81 81 GLU HA H 81 3.943 3.943 3.901 0.042 25716 6977 1 14 . 1 1 81 81 GLU C C 81 176.961 176.961 179.000 -2.039 25716 6978 1 14 . 1 1 81 81 GLU CA C 81 59.974 59.974 59.549 0.425 25716 6979 1 14 . 1 1 81 81 GLU CB C 81 29.817 29.817 29.072 0.745 25716 6980 1 14 . 1 1 81 81 GLU H H 81 8.296 8.296 8.096 0.200 25716 6981 1 14 . 1 1 82 82 GLN N N 82 119.947 119.947 119.324 0.623 25716 6982 1 14 . 1 1 82 82 GLN HA H 82 4.110 4.110 4.138 -0.028 25716 6983 1 14 . 1 1 82 82 GLN C C 82 176.023 176.023 178.072 -2.049 25716 6984 1 14 . 1 1 82 82 GLN CA C 82 58.991 58.991 58.168 0.823 25716 6985 1 14 . 1 1 82 82 GLN CB C 82 28.136 28.136 28.368 -0.232 25716 6986 1 14 . 1 1 82 82 GLN H H 82 8.444 8.444 7.487 0.957 25716 6987 1 14 . 1 1 83 83 LEU N N 83 119.916 119.916 119.826 0.090 25716 6988 1 14 . 1 1 83 83 LEU HA H 83 4.075 4.075 3.943 0.132 25716 6989 1 14 . 1 1 83 83 LEU C C 83 177.753 177.753 178.881 -1.128 25716 6990 1 14 . 1 1 83 83 LEU CA C 83 57.453 57.453 57.178 0.275 25716 6991 1 14 . 1 1 83 83 LEU CB C 83 41.673 41.673 41.505 0.168 25716 6992 1 14 . 1 1 83 83 LEU H H 83 8.149 8.149 8.329 -0.180 25716 6993 1 14 . 1 1 84 84 LYS N N 84 121.059 121.059 120.212 0.847 25716 6994 1 14 . 1 1 84 84 LYS HA H 84 3.951 3.951 3.959 -0.008 25716 6995 1 14 . 1 1 84 84 LYS C C 84 176.055 176.055 178.516 -2.461 25716 6996 1 14 . 1 1 84 84 LYS CA C 84 59.328 59.328 59.568 -0.240 25716 6997 1 14 . 1 1 84 84 LYS CB C 84 32.291 32.291 32.300 -0.009 25716 6998 1 14 . 1 1 84 84 LYS H H 84 8.373 8.373 8.087 0.286 25716 6999 1 14 . 1 1 85 85 ALA N N 85 122.134 122.134 121.459 0.675 25716 7000 1 14 . 1 1 85 85 ALA HA H 85 4.188 4.188 4.178 0.010 25716 7001 1 14 . 1 1 85 85 ALA C C 85 177.240 177.240 179.968 -2.728 25716 7002 1 14 . 1 1 85 85 ALA CA C 85 54.423 54.423 54.870 -0.447 25716 7003 1 14 . 1 1 85 85 ALA CB C 85 18.193 18.193 18.078 0.115 25716 7004 1 14 . 1 1 85 85 ALA H H 85 7.854 7.854 7.422 0.432 25716 7005 1 14 . 1 1 86 86 GLU N N 86 117.813 117.813 118.395 -0.582 25716 7006 1 14 . 1 1 86 86 GLU HA H 86 4.115 4.115 4.124 -0.009 25716 7007 1 14 . 1 1 86 86 GLU C C 86 175.547 175.547 178.695 -3.148 25716 7008 1 14 . 1 1 86 86 GLU CA C 86 58.199 58.199 58.640 -0.441 25716 7009 1 14 . 1 1 86 86 GLU CB C 86 29.841 29.841 29.299 0.542 25716 7010 1 14 . 1 1 86 86 GLU H H 86 8.059 8.059 8.093 -0.034 25716 7011 1 14 . 1 1 87 87 SER N N 87 114.771 114.771 114.167 0.604 25716 7012 1 14 . 1 1 87 87 SER HA H 87 4.362 4.362 4.374 -0.012 25716 7013 1 14 . 1 1 87 87 SER C C 87 172.405 172.405 175.712 -3.307 25716 7014 1 14 . 1 1 87 87 SER CA C 87 59.806 59.806 59.333 0.473 25716 7015 1 14 . 1 1 87 87 SER CB C 87 63.528 63.528 63.426 0.102 25716 7016 1 14 . 1 1 87 87 SER H H 87 7.908 7.908 7.919 -0.011 25716 7017 1 14 . 1 1 88 88 ALA N N 88 124.277 124.277 123.760 0.517 25716 7018 1 14 . 1 1 88 88 ALA HA H 88 4.284 4.284 4.138 0.146 25716 7019 1 14 . 1 1 88 88 ALA C C 88 175.489 175.489 178.838 -3.349 25716 7020 1 14 . 1 1 88 88 ALA CA C 88 53.087 53.087 54.389 -1.302 25716 7021 1 14 . 1 1 88 88 ALA CB C 88 18.792 18.792 18.999 -0.207 25716 7022 1 14 . 1 1 88 88 ALA H H 88 7.812 7.812 7.720 0.092 25716 7023 1 14 . 1 1 89 89 LEU N N 89 119.411 119.411 118.736 0.675 25716 7024 1 14 . 1 1 89 89 LEU HA H 89 4.219 4.219 4.219 0.000 25716 7025 1 14 . 1 1 89 89 LEU C C 89 175.025 175.025 177.486 -2.461 25716 7026 1 14 . 1 1 89 89 LEU CA C 89 55.608 55.608 55.478 0.130 25716 7027 1 14 . 1 1 89 89 LEU CB C 89 42.213 42.213 41.940 0.273 25716 7028 1 14 . 1 1 89 89 LEU H H 89 7.769 7.769 7.918 -0.149 25716 7029 1 15 . 1 1 2 2 ASP HA H 2 4.704 4.704 4.437 0.267 25716 7030 1 15 . 1 1 2 2 ASP C C 2 173.822 173.822 177.479 -3.657 25716 7031 1 15 . 1 1 2 2 ASP CA C 2 54.130 54.130 55.007 -0.877 25716 7032 1 15 . 1 1 2 2 ASP CB C 2 41.601 41.601 41.210 0.391 25716 7033 1 15 . 1 1 3 3 GLY N N 3 109.376 109.376 110.461 -1.085 25716 7034 1 15 . 1 1 3 3 GLY C C 3 172.786 172.786 176.211 -3.425 25716 7035 1 15 . 1 1 3 3 GLY CA C 3 46.704 46.704 46.530 0.174 25716 7036 1 15 . 1 1 3 3 GLY H H 3 8.712 8.712 8.461 0.251 25716 7037 1 15 . 1 1 4 4 GLU N N 4 120.623 120.623 123.052 -2.429 25716 7038 1 15 . 1 1 4 4 GLU HA H 4 4.207 4.207 4.017 0.190 25716 7039 1 15 . 1 1 4 4 GLU C C 4 175.198 175.198 178.625 -3.427 25716 7040 1 15 . 1 1 4 4 GLU CA C 4 58.159 58.159 58.795 -0.636 25716 7041 1 15 . 1 1 4 4 GLU CB C 4 29.793 29.793 29.639 0.154 25716 7042 1 15 . 1 1 4 4 GLU H H 4 8.280 8.280 8.283 -0.003 25716 7043 1 15 . 1 1 5 5 GLU N N 5 121.684 121.684 119.003 2.681 25716 7044 1 15 . 1 1 5 5 GLU HA H 5 4.173 4.173 4.028 0.145 25716 7045 1 15 . 1 1 5 5 GLU C C 5 175.720 175.720 178.624 -2.904 25716 7046 1 15 . 1 1 5 5 GLU CA C 5 58.648 58.648 59.403 -0.755 25716 7047 1 15 . 1 1 5 5 GLU CB C 5 29.819 29.819 29.035 0.784 25716 7048 1 15 . 1 1 5 5 GLU H H 5 8.254 8.254 7.917 0.337 25716 7049 1 15 . 1 1 6 6 VAL N N 6 120.195 120.195 118.925 1.270 25716 7050 1 15 . 1 1 6 6 VAL HA H 6 3.594 3.594 3.742 -0.148 25716 7051 1 15 . 1 1 6 6 VAL C C 6 174.638 174.638 178.533 -3.895 25716 7052 1 15 . 1 1 6 6 VAL CA C 6 66.621 66.621 66.236 0.385 25716 7053 1 15 . 1 1 6 6 VAL CB C 6 32.041 32.041 31.034 1.007 25716 7054 1 15 . 1 1 6 6 VAL H H 6 8.137 8.137 8.165 -0.028 25716 7055 1 15 . 1 1 7 7 LYS N N 7 118.688 118.688 119.317 -0.629 25716 7056 1 15 . 1 1 7 7 LYS HA H 7 3.776 3.776 3.947 -0.171 25716 7057 1 15 . 1 1 7 7 LYS C C 7 175.192 175.192 178.923 -3.731 25716 7058 1 15 . 1 1 7 7 LYS CA C 7 60.903 60.903 60.499 0.404 25716 7059 1 15 . 1 1 7 7 LYS CB C 7 32.251 32.251 32.152 0.099 25716 7060 1 15 . 1 1 7 7 LYS H H 7 8.099 8.099 7.679 0.419 25716 7061 1 15 . 1 1 8 8 GLU N N 8 117.138 117.138 119.258 -2.120 25716 7062 1 15 . 1 1 8 8 GLU HA H 8 4.188 4.188 3.976 0.212 25716 7063 1 15 . 1 1 8 8 GLU C C 8 176.405 176.405 178.762 -2.357 25716 7064 1 15 . 1 1 8 8 GLU CA C 8 58.635 58.635 59.466 -0.831 25716 7065 1 15 . 1 1 8 8 GLU CB C 8 29.149 29.149 29.424 -0.275 25716 7066 1 15 . 1 1 8 8 GLU H H 8 7.875 7.875 8.060 -0.185 25716 7067 1 15 . 1 1 9 9 LYS N N 9 119.639 119.639 119.948 -0.309 25716 7068 1 15 . 1 1 9 9 LYS HA H 9 4.072 4.072 4.160 -0.088 25716 7069 1 15 . 1 1 9 9 LYS C C 9 177.376 177.376 179.295 -1.919 25716 7070 1 15 . 1 1 9 9 LYS CA C 9 59.994 59.994 59.799 0.195 25716 7071 1 15 . 1 1 9 9 LYS CB C 9 32.471 32.471 32.622 -0.151 25716 7072 1 15 . 1 1 9 9 LYS H H 9 8.102 8.102 7.628 0.474 25716 7073 1 15 . 1 1 10 10 ILE N N 10 119.456 119.456 119.063 0.393 25716 7074 1 15 . 1 1 10 10 ILE HA H 10 3.713 3.713 3.730 -0.017 25716 7075 1 15 . 1 1 10 10 ILE C C 10 174.153 174.153 177.873 -3.720 25716 7076 1 15 . 1 1 10 10 ILE CA C 10 65.549 65.549 64.953 0.596 25716 7077 1 15 . 1 1 10 10 ILE CB C 10 37.522 37.522 37.928 -0.406 25716 7078 1 15 . 1 1 10 10 ILE H H 10 8.210 8.210 8.219 -0.009 25716 7079 1 15 . 1 1 11 11 ARG N N 11 121.172 121.172 119.727 1.445 25716 7080 1 15 . 1 1 11 11 ARG HA H 11 3.608 3.608 3.962 -0.354 25716 7081 1 15 . 1 1 11 11 ARG C C 11 174.925 174.925 178.330 -3.405 25716 7082 1 15 . 1 1 11 11 ARG CA C 11 60.617 60.617 58.965 1.652 25716 7083 1 15 . 1 1 11 11 ARG CB C 11 30.480 30.480 29.177 1.303 25716 7084 1 15 . 1 1 11 11 ARG H H 11 8.851 8.851 8.251 0.600 25716 7085 1 15 . 1 1 12 12 ARG N N 12 116.578 116.578 120.237 -3.659 25716 7086 1 15 . 1 1 12 12 ARG HA H 12 3.935 3.935 4.079 -0.144 25716 7087 1 15 . 1 1 12 12 ARG C C 12 174.817 174.817 178.597 -3.780 25716 7088 1 15 . 1 1 12 12 ARG CA C 12 59.162 59.162 58.942 0.220 25716 7089 1 15 . 1 1 12 12 ARG CB C 12 29.476 29.476 29.518 -0.042 25716 7090 1 15 . 1 1 12 12 ARG H H 12 8.126 8.126 7.740 0.386 25716 7091 1 15 . 1 1 13 13 TYR N N 13 119.994 119.994 120.544 -0.550 25716 7092 1 15 . 1 1 13 13 TYR HA H 13 4.047 4.047 4.089 -0.042 25716 7093 1 15 . 1 1 13 13 TYR C C 13 175.273 175.273 177.836 -2.563 25716 7094 1 15 . 1 1 13 13 TYR CA C 13 61.856 61.856 60.907 0.949 25716 7095 1 15 . 1 1 13 13 TYR CB C 13 38.459 38.459 37.699 0.760 25716 7096 1 15 . 1 1 13 13 TYR H H 13 7.758 7.758 7.537 0.221 25716 7097 1 15 . 1 1 14 14 ILE N N 14 117.754 117.754 119.322 -1.568 25716 7098 1 15 . 1 1 14 14 ILE HA H 14 3.239 3.239 3.409 -0.170 25716 7099 1 15 . 1 1 14 14 ILE C C 14 175.425 175.425 177.503 -2.078 25716 7100 1 15 . 1 1 14 14 ILE CA C 14 65.826 65.826 65.793 0.033 25716 7101 1 15 . 1 1 14 14 ILE CB C 14 37.782 37.782 37.639 0.143 25716 7102 1 15 . 1 1 14 14 ILE H H 14 8.464 8.464 8.135 0.329 25716 7103 1 15 . 1 1 15 15 MET N N 15 116.173 116.173 117.019 -0.846 25716 7104 1 15 . 1 1 15 15 MET HA H 15 3.939 3.939 4.115 -0.176 25716 7105 1 15 . 1 1 15 15 MET C C 15 174.676 174.676 178.362 -3.686 25716 7106 1 15 . 1 1 15 15 MET CA C 15 59.276 59.276 59.051 0.225 25716 7107 1 15 . 1 1 15 15 MET CB C 15 32.885 32.885 32.221 0.664 25716 7108 1 15 . 1 1 15 15 MET H H 15 8.265 8.265 7.294 0.971 25716 7109 1 15 . 1 1 16 16 GLU N N 16 116.398 116.398 119.125 -2.727 25716 7110 1 15 . 1 1 16 16 GLU HA H 16 3.980 3.980 4.094 -0.114 25716 7111 1 15 . 1 1 16 16 GLU C C 16 175.158 175.158 178.863 -3.705 25716 7112 1 15 . 1 1 16 16 GLU CA C 16 58.767 58.767 58.695 0.072 25716 7113 1 15 . 1 1 16 16 GLU CB C 16 30.078 30.078 29.345 0.733 25716 7114 1 15 . 1 1 16 16 GLU H H 16 8.619 8.619 7.690 0.929 25716 7115 1 15 . 1 1 17 17 ASP N N 17 116.973 116.973 119.090 -2.117 25716 7116 1 15 . 1 1 17 17 ASP HA H 17 4.591 4.591 4.378 0.213 25716 7117 1 15 . 1 1 17 17 ASP C C 17 174.240 174.240 178.103 -3.863 25716 7118 1 15 . 1 1 17 17 ASP CA C 17 55.438 55.438 55.954 -0.516 25716 7119 1 15 . 1 1 17 17 ASP CB C 17 42.657 42.657 40.607 2.050 25716 7120 1 15 . 1 1 17 17 ASP H H 17 8.119 8.119 7.764 0.355 25716 7121 1 15 . 1 1 18 18 LEU N N 18 115.667 115.667 119.541 -3.874 25716 7122 1 15 . 1 1 18 18 LEU HA H 18 4.488 4.488 4.099 0.389 25716 7123 1 15 . 1 1 18 18 LEU C C 18 175.062 175.062 177.687 -2.625 25716 7124 1 15 . 1 1 18 18 LEU CA C 18 56.075 56.075 56.827 -0.752 25716 7125 1 15 . 1 1 18 18 LEU CB C 18 41.096 41.096 42.284 -1.188 25716 7126 1 15 . 1 1 18 18 LEU H H 18 7.162 7.162 7.233 -0.071 25716 7127 1 15 . 1 1 19 19 ILE N N 19 120.763 120.763 115.301 5.462 25716 7128 1 15 . 1 1 19 19 ILE HA H 19 3.979 3.979 4.101 -0.122 25716 7129 1 15 . 1 1 19 19 ILE C C 19 174.557 174.557 176.799 -2.242 25716 7130 1 15 . 1 1 19 19 ILE CA C 19 63.809 63.809 61.977 1.832 25716 7131 1 15 . 1 1 19 19 ILE CB C 19 38.044 38.044 39.304 -1.260 25716 7132 1 15 . 1 1 19 19 ILE H H 19 8.017 8.017 7.960 0.057 25716 7133 1 15 . 1 1 20 20 GLY N N 20 108.619 108.619 107.171 1.448 25716 7134 1 15 . 1 1 20 20 GLY CA C 20 44.560 44.560 45.152 -0.592 25716 7135 1 15 . 1 1 20 20 GLY H H 20 8.126 8.126 7.861 0.265 25716 7136 1 15 . 1 1 21 21 PRO HA H 21 4.385 4.385 4.517 -0.132 25716 7137 1 15 . 1 1 21 21 PRO C C 21 174.855 174.855 177.386 -2.531 25716 7138 1 15 . 1 1 21 21 PRO CA C 21 64.406 64.406 63.604 0.802 25716 7139 1 15 . 1 1 21 21 PRO CB C 21 32.027 32.027 31.952 0.075 25716 7140 1 15 . 1 1 22 22 SER N N 22 114.165 114.165 116.813 -2.648 25716 7141 1 15 . 1 1 22 22 SER HA H 22 4.394 4.394 4.440 -0.046 25716 7142 1 15 . 1 1 22 22 SER C C 22 171.708 171.708 173.517 -1.809 25716 7143 1 15 . 1 1 22 22 SER CA C 22 58.871 58.871 57.743 1.128 25716 7144 1 15 . 1 1 22 22 SER CB C 22 63.473 63.473 61.510 1.963 25716 7145 1 15 . 1 1 22 22 SER H H 22 8.279 8.279 8.206 0.073 25716 7146 1 15 . 1 1 23 23 ALA N N 23 125.151 125.151 124.771 0.380 25716 7147 1 15 . 1 1 23 23 ALA HA H 23 4.250 4.250 4.582 -0.332 25716 7148 1 15 . 1 1 23 23 ALA C C 23 174.903 174.903 175.916 -1.013 25716 7149 1 15 . 1 1 23 23 ALA CA C 23 52.851 52.851 52.298 0.553 25716 7150 1 15 . 1 1 23 23 ALA CB C 23 19.376 19.376 20.114 -0.738 25716 7151 1 15 . 1 1 23 23 ALA H H 23 8.040 8.040 7.551 0.489 25716 7152 1 15 . 1 1 24 24 LYS N N 24 120.823 120.823 122.490 -1.667 25716 7153 1 15 . 1 1 24 24 LYS HA H 24 4.346 4.346 4.318 0.028 25716 7154 1 15 . 1 1 24 24 LYS C C 24 174.522 174.522 178.528 -4.006 25716 7155 1 15 . 1 1 24 24 LYS CA C 24 55.938 55.938 55.234 0.704 25716 7156 1 15 . 1 1 24 24 LYS CB C 24 33.187 33.187 33.244 -0.057 25716 7157 1 15 . 1 1 24 24 LYS H H 24 8.306 8.306 8.013 0.293 25716 7158 1 15 . 1 1 25 25 GLU N N 25 121.186 121.186 120.638 0.548 25716 7159 1 15 . 1 1 25 25 GLU HA H 25 4.114 4.114 3.974 0.140 25716 7160 1 15 . 1 1 25 25 GLU C C 25 173.808 173.808 176.042 -2.234 25716 7161 1 15 . 1 1 25 25 GLU CA C 25 58.023 58.023 58.838 -0.815 25716 7162 1 15 . 1 1 25 25 GLU CB C 25 29.769 29.769 29.656 0.113 25716 7163 1 15 . 1 1 25 25 GLU H H 25 8.569 8.569 8.871 -0.302 25716 7164 1 15 . 1 1 26 26 ASP N N 26 117.111 117.111 113.727 3.384 25716 7165 1 15 . 1 1 26 26 ASP HA H 26 4.569 4.569 4.731 -0.162 25716 7166 1 15 . 1 1 26 26 ASP C C 26 173.265 173.265 176.188 -2.923 25716 7167 1 15 . 1 1 26 26 ASP CA C 26 54.061 54.061 53.652 0.409 25716 7168 1 15 . 1 1 26 26 ASP CB C 26 40.742 40.742 40.592 0.150 25716 7169 1 15 . 1 1 26 26 ASP H H 26 8.139 8.139 8.254 -0.115 25716 7170 1 15 . 1 1 27 27 GLU N N 27 118.932 118.932 119.872 -0.940 25716 7171 1 15 . 1 1 27 27 GLU HA H 27 4.239 4.239 4.356 -0.117 25716 7172 1 15 . 1 1 27 27 GLU C C 27 172.838 172.838 176.936 -4.098 25716 7173 1 15 . 1 1 27 27 GLU CA C 27 56.645 56.645 57.902 -1.257 25716 7174 1 15 . 1 1 27 27 GLU CB C 27 30.703 30.703 30.628 0.075 25716 7175 1 15 . 1 1 27 27 GLU H H 27 7.859 7.859 7.921 -0.062 25716 7176 1 15 . 1 1 28 28 LEU N N 28 121.726 121.726 120.383 1.343 25716 7177 1 15 . 1 1 28 28 LEU HA H 28 4.570 4.570 4.065 0.505 25716 7178 1 15 . 1 1 28 28 LEU C C 28 172.438 172.438 175.900 -3.462 25716 7179 1 15 . 1 1 28 28 LEU CA C 28 54.503 54.503 54.264 0.239 25716 7180 1 15 . 1 1 28 28 LEU CB C 28 43.342 43.342 40.734 2.608 25716 7181 1 15 . 1 1 28 28 LEU H H 28 7.671 7.671 7.582 0.089 25716 7182 1 15 . 1 1 29 29 ASP N N 29 126.685 126.685 124.349 2.336 25716 7183 1 15 . 1 1 29 29 ASP HA H 29 4.822 4.822 4.806 0.016 25716 7184 1 15 . 1 1 29 29 ASP C C 29 173.732 173.732 176.750 -3.018 25716 7185 1 15 . 1 1 29 29 ASP CA C 29 52.855 52.855 52.607 0.248 25716 7186 1 15 . 1 1 29 29 ASP CB C 29 43.124 43.124 44.434 -1.310 25716 7187 1 15 . 1 1 29 29 ASP H H 29 8.950 8.950 8.412 0.538 25716 7188 1 15 . 1 1 30 30 ASP N N 30 120.317 120.317 120.733 -0.416 25716 7189 1 15 . 1 1 30 30 ASP HA H 30 4.247 4.247 4.408 -0.161 25716 7190 1 15 . 1 1 30 30 ASP C C 30 172.143 172.143 176.348 -4.205 25716 7191 1 15 . 1 1 30 30 ASP CA C 30 57.352 57.352 56.602 0.750 25716 7192 1 15 . 1 1 30 30 ASP CB C 30 40.160 40.160 40.791 -0.631 25716 7193 1 15 . 1 1 30 30 ASP H H 30 8.500 8.500 8.777 -0.277 25716 7194 1 15 . 1 1 31 31 GLN N N 31 111.109 111.109 115.574 -4.465 25716 7195 1 15 . 1 1 31 31 GLN HA H 31 4.590 4.590 4.503 0.087 25716 7196 1 15 . 1 1 31 31 GLN C C 31 174.343 174.343 176.105 -1.762 25716 7197 1 15 . 1 1 31 31 GLN CA C 31 54.437 54.437 54.905 -0.468 25716 7198 1 15 . 1 1 31 31 GLN CB C 31 30.038 30.038 30.188 -0.150 25716 7199 1 15 . 1 1 31 31 GLN H H 31 8.234 8.234 7.753 0.481 25716 7200 1 15 . 1 1 32 32 THR N N 32 123.333 123.333 120.560 2.773 25716 7201 1 15 . 1 1 32 32 THR HA H 32 3.856 3.856 4.260 -0.404 25716 7202 1 15 . 1 1 32 32 THR CA C 32 62.805 62.805 61.520 1.285 25716 7203 1 15 . 1 1 32 32 THR CB C 32 69.907 69.907 68.887 1.020 25716 7204 1 15 . 1 1 32 32 THR H H 32 7.663 7.663 7.347 0.316 25716 7205 1 15 . 1 1 33 33 PRO HA H 33 4.823 4.823 4.658 0.165 25716 7206 1 15 . 1 1 33 33 PRO C C 33 172.190 172.190 177.133 -4.943 25716 7207 1 15 . 1 1 33 33 PRO CA C 33 61.670 61.670 62.896 -1.226 25716 7208 1 15 . 1 1 33 33 PRO CB C 33 29.880 29.880 31.599 -1.719 25716 7209 1 15 . 1 1 34 34 LEU N N 34 126.562 126.562 124.423 2.139 25716 7210 1 15 . 1 1 34 34 LEU HA H 34 3.820 3.820 3.750 0.070 25716 7211 1 15 . 1 1 34 34 LEU C C 34 176.590 176.590 178.455 -1.865 25716 7212 1 15 . 1 1 34 34 LEU CA C 34 57.808 57.808 58.103 -0.295 25716 7213 1 15 . 1 1 34 34 LEU CB C 34 42.569 42.569 41.595 0.974 25716 7214 1 15 . 1 1 34 34 LEU H H 34 7.988 7.988 8.136 -0.148 25716 7215 1 15 . 1 1 35 35 LEU N N 35 117.687 117.687 116.860 0.827 25716 7216 1 15 . 1 1 35 35 LEU HA H 35 4.539 4.539 4.134 0.405 25716 7217 1 15 . 1 1 35 35 LEU C C 35 178.411 178.411 179.536 -1.125 25716 7218 1 15 . 1 1 35 35 LEU CA C 35 56.531 56.531 56.909 -0.378 25716 7219 1 15 . 1 1 35 35 LEU CB C 35 41.338 41.338 41.734 -0.396 25716 7220 1 15 . 1 1 35 35 LEU H H 35 8.184 8.184 7.480 0.704 25716 7221 1 15 . 1 1 36 36 GLU N N 36 121.488 121.488 120.120 1.368 25716 7222 1 15 . 1 1 36 36 GLU HA H 36 4.118 4.118 4.161 -0.043 25716 7223 1 15 . 1 1 36 36 GLU C C 36 175.984 175.984 178.730 -2.746 25716 7224 1 15 . 1 1 36 36 GLU CA C 36 59.264 59.264 58.906 0.359 25716 7225 1 15 . 1 1 36 36 GLU CB C 36 29.608 29.608 29.414 0.194 25716 7226 1 15 . 1 1 36 36 GLU H H 36 7.857 7.857 8.194 -0.337 25716 7227 1 15 . 1 1 37 37 TRP N N 37 115.319 115.319 118.758 -3.439 25716 7228 1 15 . 1 1 37 37 TRP HA H 37 4.950 4.950 4.519 0.431 25716 7229 1 15 . 1 1 37 37 TRP C C 37 174.270 174.270 177.668 -3.398 25716 7230 1 15 . 1 1 37 37 TRP CA C 37 56.075 56.075 58.045 -1.970 25716 7231 1 15 . 1 1 37 37 TRP CB C 37 29.050 29.050 29.686 -0.636 25716 7232 1 15 . 1 1 37 37 TRP H H 37 8.180 8.180 8.204 -0.024 25716 7233 1 15 . 1 1 38 38 GLY N N 38 106.793 106.793 107.224 -0.431 25716 7234 1 15 . 1 1 38 38 GLY C C 38 171.784 171.784 175.564 -3.780 25716 7235 1 15 . 1 1 38 38 GLY CA C 38 46.275 46.275 45.789 0.486 25716 7236 1 15 . 1 1 38 38 GLY H H 38 7.704 7.704 7.760 -0.056 25716 7237 1 15 . 1 1 39 39 ILE N N 39 120.597 120.597 114.149 6.448 25716 7238 1 15 . 1 1 39 39 ILE HA H 39 3.753 3.753 4.191 -0.438 25716 7239 1 15 . 1 1 39 39 ILE C C 39 174.148 174.148 175.186 -1.038 25716 7240 1 15 . 1 1 39 39 ILE CA C 39 63.934 63.934 62.071 1.863 25716 7241 1 15 . 1 1 39 39 ILE CB C 39 38.673 38.673 38.395 0.278 25716 7242 1 15 . 1 1 39 39 ILE H H 39 7.697 7.697 7.388 0.309 25716 7243 1 15 . 1 1 40 40 LEU N N 40 115.102 115.102 122.612 -7.510 25716 7244 1 15 . 1 1 40 40 LEU HA H 40 4.934 4.934 4.499 0.435 25716 7245 1 15 . 1 1 40 40 LEU C C 40 172.286 172.286 175.136 -2.850 25716 7246 1 15 . 1 1 40 40 LEU CA C 40 52.249 52.249 53.655 -1.406 25716 7247 1 15 . 1 1 40 40 LEU CB C 40 43.454 43.454 41.990 1.464 25716 7248 1 15 . 1 1 40 40 LEU H H 40 7.307 7.307 7.595 -0.288 25716 7249 1 15 . 1 1 41 41 ASN N N 41 117.306 117.306 121.852 -4.546 25716 7250 1 15 . 1 1 41 41 ASN HA H 41 4.589 4.589 4.831 -0.242 25716 7251 1 15 . 1 1 41 41 ASN C C 41 171.807 171.807 175.161 -3.354 25716 7252 1 15 . 1 1 41 41 ASN CA C 41 52.017 52.017 51.650 0.367 25716 7253 1 15 . 1 1 41 41 ASN CB C 41 39.872 39.872 40.215 -0.343 25716 7254 1 15 . 1 1 41 41 ASN H H 41 8.466 8.466 8.523 -0.057 25716 7255 1 15 . 1 1 42 42 SER N N 42 113.236 113.236 113.572 -0.336 25716 7256 1 15 . 1 1 42 42 SER HA H 42 4.116 4.116 4.349 -0.233 25716 7257 1 15 . 1 1 42 42 SER C C 42 171.631 171.631 176.084 -4.453 25716 7258 1 15 . 1 1 42 42 SER CA C 42 60.951 60.951 60.575 0.376 25716 7259 1 15 . 1 1 42 42 SER CB C 42 65.868 65.868 62.715 3.153 25716 7260 1 15 . 1 1 42 42 SER H H 42 9.138 9.138 8.532 0.606 25716 7261 1 15 . 1 1 43 43 MET N N 43 118.797 118.797 119.943 -1.146 25716 7262 1 15 . 1 1 43 43 MET HA H 43 4.467 4.467 4.328 0.139 25716 7263 1 15 . 1 1 43 43 MET CA C 43 57.429 57.429 57.007 0.422 25716 7264 1 15 . 1 1 43 43 MET CB C 43 32.494 32.494 32.048 0.446 25716 7265 1 15 . 1 1 43 43 MET H H 43 8.292 8.292 7.798 0.494 25716 7266 1 15 . 1 1 44 44 ASN N N 44 117.701 117.701 117.536 0.165 25716 7267 1 15 . 1 1 44 44 ASN HA H 44 4.686 4.686 4.614 0.072 25716 7268 1 15 . 1 1 44 44 ASN C C 44 175.889 175.889 177.049 -1.160 25716 7269 1 15 . 1 1 44 44 ASN CA C 44 53.826 53.826 54.998 -1.172 25716 7270 1 15 . 1 1 44 44 ASN CB C 44 38.484 38.484 38.974 -0.490 25716 7271 1 15 . 1 1 44 44 ASN H H 44 8.299 8.299 8.429 -0.130 25716 7272 1 15 . 1 1 45 45 ILE N N 45 122.124 122.124 121.658 0.466 25716 7273 1 15 . 1 1 45 45 ILE HA H 45 3.783 3.783 3.746 0.037 25716 7274 1 15 . 1 1 45 45 ILE C C 45 174.370 174.370 176.882 -2.512 25716 7275 1 15 . 1 1 45 45 ILE CA C 45 64.892 64.892 63.680 1.212 25716 7276 1 15 . 1 1 45 45 ILE CB C 45 37.778 37.778 37.746 0.032 25716 7277 1 15 . 1 1 45 45 ILE H H 45 8.417 8.417 7.933 0.484 25716 7278 1 15 . 1 1 46 46 VAL N N 46 120.176 120.176 116.195 3.981 25716 7279 1 15 . 1 1 46 46 VAL HA H 46 3.714 3.714 3.690 0.024 25716 7280 1 15 . 1 1 46 46 VAL C C 46 175.129 175.129 177.273 -2.144 25716 7281 1 15 . 1 1 46 46 VAL CA C 46 66.227 66.227 66.278 -0.051 25716 7282 1 15 . 1 1 46 46 VAL CB C 46 31.294 31.294 31.110 0.184 25716 7283 1 15 . 1 1 46 46 VAL H H 46 7.394 7.394 7.559 -0.165 25716 7284 1 15 . 1 1 47 47 LYS N N 47 118.640 118.640 119.685 -1.045 25716 7285 1 15 . 1 1 47 47 LYS HA H 47 4.005 4.005 4.159 -0.154 25716 7286 1 15 . 1 1 47 47 LYS CA C 47 60.033 60.033 58.957 1.076 25716 7287 1 15 . 1 1 47 47 LYS CB C 47 32.093 32.093 31.522 0.571 25716 7288 1 15 . 1 1 47 47 LYS H H 47 7.221 7.221 7.947 -0.726 25716 7289 1 15 . 1 1 48 48 LEU N N 48 119.812 119.812 120.258 -0.446 25716 7290 1 15 . 1 1 48 48 LEU HA H 48 4.261 4.261 4.172 0.089 25716 7291 1 15 . 1 1 48 48 LEU C C 48 175.105 175.105 178.906 -3.801 25716 7292 1 15 . 1 1 48 48 LEU CA C 48 57.717 57.717 57.993 -0.276 25716 7293 1 15 . 1 1 48 48 LEU CB C 48 41.683 41.683 41.872 -0.189 25716 7294 1 15 . 1 1 48 48 LEU H H 48 7.812 7.812 7.472 0.340 25716 7295 1 15 . 1 1 49 49 MET N N 49 118.031 118.031 117.360 0.671 25716 7296 1 15 . 1 1 49 49 MET HA H 49 3.919 3.919 4.214 -0.295 25716 7297 1 15 . 1 1 49 49 MET C C 49 176.673 176.673 178.967 -2.294 25716 7298 1 15 . 1 1 49 49 MET CA C 49 60.304 60.304 59.234 1.070 25716 7299 1 15 . 1 1 49 49 MET CB C 49 33.071 33.071 32.582 0.489 25716 7300 1 15 . 1 1 49 49 MET H H 49 8.583 8.583 8.030 0.553 25716 7301 1 15 . 1 1 50 50 VAL N N 50 122.370 122.370 116.137 6.233 25716 7302 1 15 . 1 1 50 50 VAL HA H 50 3.497 3.497 3.881 -0.384 25716 7303 1 15 . 1 1 50 50 VAL C C 50 173.639 173.639 176.911 -3.272 25716 7304 1 15 . 1 1 50 50 VAL CA C 50 67.182 67.182 65.398 1.784 25716 7305 1 15 . 1 1 50 50 VAL CB C 50 31.551 31.551 30.920 0.631 25716 7306 1 15 . 1 1 50 50 VAL H H 50 8.246 8.246 8.048 0.198 25716 7307 1 15 . 1 1 51 51 TYR N N 51 121.444 121.444 122.078 -0.634 25716 7308 1 15 . 1 1 51 51 TYR HA H 51 4.110 4.110 3.983 0.127 25716 7309 1 15 . 1 1 51 51 TYR C C 51 174.688 174.688 177.021 -2.333 25716 7310 1 15 . 1 1 51 51 TYR CA C 51 61.795 61.795 61.858 -0.063 25716 7311 1 15 . 1 1 51 51 TYR CB C 51 38.036 38.036 38.408 -0.372 25716 7312 1 15 . 1 1 51 51 TYR H H 51 7.774 7.774 7.411 0.363 25716 7313 1 15 . 1 1 52 52 ILE N N 52 118.347 118.347 118.742 -0.395 25716 7314 1 15 . 1 1 52 52 ILE HA H 52 3.283 3.283 3.685 -0.402 25716 7315 1 15 . 1 1 52 52 ILE C C 52 175.421 175.421 178.119 -2.698 25716 7316 1 15 . 1 1 52 52 ILE CA C 52 65.477 65.477 64.082 1.395 25716 7317 1 15 . 1 1 52 52 ILE CB C 52 38.703 38.703 37.454 1.249 25716 7318 1 15 . 1 1 52 52 ILE H H 52 8.388 8.388 8.521 -0.133 25716 7319 1 15 . 1 1 53 53 ARG N N 53 121.323 121.323 119.710 1.613 25716 7320 1 15 . 1 1 53 53 ARG HA H 53 3.920 3.920 4.033 -0.113 25716 7321 1 15 . 1 1 53 53 ARG C C 53 176.463 176.463 177.928 -1.465 25716 7322 1 15 . 1 1 53 53 ARG CA C 53 59.458 59.458 59.643 -0.185 25716 7323 1 15 . 1 1 53 53 ARG CB C 53 30.296 30.296 29.934 0.362 25716 7324 1 15 . 1 1 53 53 ARG H H 53 7.831 7.831 7.661 0.170 25716 7325 1 15 . 1 1 54 54 ASP N N 54 119.945 119.945 118.683 1.262 25716 7326 1 15 . 1 1 54 54 ASP HA H 54 4.319 4.319 4.451 -0.132 25716 7327 1 15 . 1 1 54 54 ASP C C 54 175.314 175.314 177.745 -2.431 25716 7328 1 15 . 1 1 54 54 ASP CA C 54 57.126 57.126 56.418 0.708 25716 7329 1 15 . 1 1 54 54 ASP CB C 54 40.074 40.074 41.063 -0.989 25716 7330 1 15 . 1 1 54 54 ASP H H 54 8.760 8.760 7.543 1.216 25716 7331 1 15 . 1 1 55 55 GLU N N 55 117.530 117.530 118.766 -1.236 25716 7332 1 15 . 1 1 55 55 GLU HA H 55 4.239 4.239 3.930 0.309 25716 7333 1 15 . 1 1 55 55 GLU C C 55 175.224 175.224 177.985 -2.761 25716 7334 1 15 . 1 1 55 55 GLU CA C 55 56.852 56.852 57.874 -1.022 25716 7335 1 15 . 1 1 55 55 GLU CB C 55 29.329 29.329 29.654 -0.325 25716 7336 1 15 . 1 1 55 55 GLU H H 55 8.701 8.701 8.200 0.501 25716 7337 1 15 . 1 1 56 56 MET N N 56 113.874 113.874 115.965 -2.091 25716 7338 1 15 . 1 1 56 56 MET HA H 56 4.566 4.566 4.422 0.144 25716 7339 1 15 . 1 1 56 56 MET C C 56 173.968 173.968 176.872 -2.904 25716 7340 1 15 . 1 1 56 56 MET CA C 56 55.539 55.539 55.953 -0.414 25716 7341 1 15 . 1 1 56 56 MET CB C 56 34.094 34.094 34.117 -0.023 25716 7342 1 15 . 1 1 56 56 MET H H 56 7.464 7.464 7.658 -0.194 25716 7343 1 15 . 1 1 57 57 GLY N N 57 107.900 107.900 106.863 1.037 25716 7344 1 15 . 1 1 57 57 GLY C C 57 171.496 171.496 173.402 -1.906 25716 7345 1 15 . 1 1 57 57 GLY CA C 57 46.561 46.561 45.252 1.309 25716 7346 1 15 . 1 1 57 57 GLY H H 57 7.291 7.291 7.997 -0.706 25716 7347 1 15 . 1 1 58 58 VAL N N 58 117.126 117.126 118.745 -1.619 25716 7348 1 15 . 1 1 58 58 VAL HA H 58 4.283 4.283 4.404 -0.121 25716 7349 1 15 . 1 1 58 58 VAL C C 58 171.116 171.116 174.974 -3.858 25716 7350 1 15 . 1 1 58 58 VAL CA C 58 60.487 60.487 60.444 0.043 25716 7351 1 15 . 1 1 58 58 VAL CB C 58 34.837 34.837 34.047 0.790 25716 7352 1 15 . 1 1 58 58 VAL H H 58 6.970 6.970 7.575 -0.605 25716 7353 1 15 . 1 1 59 59 SER N N 59 122.188 122.188 120.704 1.484 25716 7354 1 15 . 1 1 59 59 SER HA H 59 4.432 4.432 4.533 -0.101 25716 7355 1 15 . 1 1 59 59 SER C C 59 170.766 170.766 174.177 -3.411 25716 7356 1 15 . 1 1 59 59 SER CA C 59 56.563 56.563 56.400 0.163 25716 7357 1 15 . 1 1 59 59 SER CB C 59 63.106 63.106 63.954 -0.848 25716 7358 1 15 . 1 1 59 59 SER H H 59 8.609 8.609 8.314 0.295 25716 7359 1 15 . 1 1 60 60 ILE N N 60 128.230 128.230 129.593 -1.363 25716 7360 1 15 . 1 1 60 60 ILE HA H 60 4.033 4.033 4.332 -0.299 25716 7361 1 15 . 1 1 60 60 ILE CA C 60 58.127 58.127 57.966 0.161 25716 7362 1 15 . 1 1 60 60 ILE CB C 60 38.217 38.217 37.756 0.461 25716 7363 1 15 . 1 1 60 60 ILE H H 60 8.257 8.257 8.254 0.003 25716 7364 1 15 . 1 1 61 61 PRO HA H 61 4.501 4.501 4.589 -0.088 25716 7365 1 15 . 1 1 61 61 PRO CA C 61 62.352 62.352 62.196 0.156 25716 7366 1 15 . 1 1 61 61 PRO CB C 61 32.469 32.469 32.735 -0.266 25716 7367 1 15 . 1 1 62 62 SER HA H 62 4.058 4.058 4.230 -0.172 25716 7368 1 15 . 1 1 62 62 SER C C 62 173.269 173.269 175.819 -2.550 25716 7369 1 15 . 1 1 62 62 SER CA C 62 61.511 61.511 61.007 0.504 25716 7370 1 15 . 1 1 62 62 SER CB C 62 62.646 62.646 62.832 -0.186 25716 7371 1 15 . 1 1 63 63 THR N N 63 110.178 110.178 115.130 -4.952 25716 7372 1 15 . 1 1 63 63 THR HA H 63 4.066 4.066 4.319 -0.253 25716 7373 1 15 . 1 1 63 63 THR C C 63 172.917 172.917 175.503 -2.586 25716 7374 1 15 . 1 1 63 63 THR CA C 63 63.007 63.007 63.962 -0.954 25716 7375 1 15 . 1 1 63 63 THR CB C 63 69.323 69.323 68.855 0.468 25716 7376 1 15 . 1 1 63 63 THR H H 63 7.307 7.307 8.087 -0.780 25716 7377 1 15 . 1 1 64 64 HIS N N 64 121.862 121.862 118.829 3.033 25716 7378 1 15 . 1 1 64 64 HIS HA H 64 4.495 4.495 4.487 0.008 25716 7379 1 15 . 1 1 64 64 HIS C C 64 171.495 171.495 174.687 -3.192 25716 7380 1 15 . 1 1 64 64 HIS CA C 64 56.203 56.203 55.041 1.163 25716 7381 1 15 . 1 1 64 64 HIS CB C 64 29.814 29.814 29.884 -0.070 25716 7382 1 15 . 1 1 64 64 HIS H H 64 8.132 8.132 7.668 0.464 25716 7383 1 15 . 1 1 65 65 ILE N N 65 118.536 118.536 121.116 -2.580 25716 7384 1 15 . 1 1 65 65 ILE HA H 65 4.165 4.165 4.256 -0.091 25716 7385 1 15 . 1 1 65 65 ILE C C 65 172.049 172.049 175.900 -3.851 25716 7386 1 15 . 1 1 65 65 ILE CA C 65 60.576 60.576 60.749 -0.173 25716 7387 1 15 . 1 1 65 65 ILE CB C 65 35.561 35.561 35.069 0.492 25716 7388 1 15 . 1 1 65 65 ILE H H 65 7.223 7.223 7.287 -0.064 25716 7389 1 15 . 1 1 66 66 THR N N 66 114.529 114.529 120.231 -5.702 25716 7390 1 15 . 1 1 66 66 THR HA H 66 4.635 4.635 4.675 -0.040 25716 7391 1 15 . 1 1 66 66 THR C C 66 172.176 172.176 174.622 -2.446 25716 7392 1 15 . 1 1 66 66 THR CA C 66 59.827 59.827 60.777 -0.950 25716 7393 1 15 . 1 1 66 66 THR CB C 66 70.679 70.679 71.606 -0.927 25716 7394 1 15 . 1 1 66 66 THR H H 66 7.943 7.943 8.152 -0.209 25716 7395 1 15 . 1 1 67 67 GLY N N 67 109.454 109.454 109.184 0.270 25716 7396 1 15 . 1 1 67 67 GLY C C 67 172.080 172.080 174.633 -2.553 25716 7397 1 15 . 1 1 67 67 GLY CA C 67 47.245 47.245 45.547 1.698 25716 7398 1 15 . 1 1 67 67 GLY H H 67 8.736 8.736 8.904 -0.168 25716 7399 1 15 . 1 1 68 68 LYS N N 68 118.551 118.551 119.636 -1.085 25716 7400 1 15 . 1 1 68 68 LYS HA H 68 3.851 3.851 4.110 -0.259 25716 7401 1 15 . 1 1 68 68 LYS C C 68 174.455 174.455 177.153 -2.698 25716 7402 1 15 . 1 1 68 68 LYS CA C 68 58.697 58.697 57.358 1.339 25716 7403 1 15 . 1 1 68 68 LYS CB C 68 32.350 32.350 31.847 0.503 25716 7404 1 15 . 1 1 68 68 LYS H H 68 7.968 7.968 7.812 0.156 25716 7405 1 15 . 1 1 69 69 TYR N N 69 115.203 115.203 116.780 -1.577 25716 7406 1 15 . 1 1 69 69 TYR HA H 69 4.213 4.213 4.383 -0.170 25716 7407 1 15 . 1 1 69 69 TYR C C 69 171.772 171.772 178.084 -6.312 25716 7408 1 15 . 1 1 69 69 TYR CA C 69 59.212 59.212 60.164 -0.952 25716 7409 1 15 . 1 1 69 69 TYR CB C 69 38.555 38.555 39.099 -0.544 25716 7410 1 15 . 1 1 69 69 TYR H H 69 6.826 6.826 7.388 -0.562 25716 7411 1 15 . 1 1 70 70 PHE N N 70 112.140 112.140 115.620 -3.480 25716 7412 1 15 . 1 1 70 70 PHE HA H 70 4.629 4.629 4.536 0.093 25716 7413 1 15 . 1 1 70 70 PHE C C 70 171.998 171.998 176.924 -4.926 25716 7414 1 15 . 1 1 70 70 PHE CA C 70 57.245 57.245 59.034 -1.789 25716 7415 1 15 . 1 1 70 70 PHE CB C 70 40.329 40.329 38.572 1.758 25716 7416 1 15 . 1 1 70 70 PHE H H 70 7.327 7.327 7.759 -0.432 25716 7417 1 15 . 1 1 71 71 LYS N N 71 113.603 113.603 120.038 -6.435 25716 7418 1 15 . 1 1 71 71 LYS HA H 71 3.875 3.875 4.044 -0.169 25716 7419 1 15 . 1 1 71 71 LYS C C 71 172.963 172.963 176.117 -3.154 25716 7420 1 15 . 1 1 71 71 LYS CA C 71 59.667 59.667 58.885 0.782 25716 7421 1 15 . 1 1 71 71 LYS CB C 71 33.074 33.074 32.707 0.367 25716 7422 1 15 . 1 1 71 71 LYS H H 71 6.925 6.925 8.197 -1.272 25716 7423 1 15 . 1 1 72 72 ASP N N 72 110.434 110.434 111.906 -1.472 25716 7424 1 15 . 1 1 72 72 ASP HA H 72 4.441 4.441 4.966 -0.525 25716 7425 1 15 . 1 1 72 72 ASP C C 72 172.750 172.750 176.285 -3.535 25716 7426 1 15 . 1 1 72 72 ASP CA C 72 52.378 52.378 52.556 -0.178 25716 7427 1 15 . 1 1 72 72 ASP CB C 72 42.426 42.426 43.440 -1.014 25716 7428 1 15 . 1 1 72 72 ASP H H 72 7.363 7.363 7.463 -0.100 25716 7429 1 15 . 1 1 73 73 LEU N N 73 120.273 120.273 119.436 0.837 25716 7430 1 15 . 1 1 73 73 LEU HA H 73 3.920 3.920 3.949 -0.029 25716 7431 1 15 . 1 1 73 73 LEU C C 73 176.648 176.648 178.915 -2.267 25716 7432 1 15 . 1 1 73 73 LEU CA C 73 58.120 58.120 58.337 -0.216 25716 7433 1 15 . 1 1 73 73 LEU CB C 73 42.574 42.574 41.831 0.743 25716 7434 1 15 . 1 1 73 73 LEU H H 73 9.983 9.983 8.731 1.252 25716 7435 1 15 . 1 1 74 74 ASN N N 74 119.506 119.506 116.774 2.732 25716 7436 1 15 . 1 1 74 74 ASN HA H 74 4.405 4.405 4.373 0.032 25716 7437 1 15 . 1 1 74 74 ASN C C 74 174.659 174.659 177.187 -2.528 25716 7438 1 15 . 1 1 74 74 ASN CA C 74 56.287 56.287 56.083 0.204 25716 7439 1 15 . 1 1 74 74 ASN CB C 74 37.579 37.579 37.863 -0.284 25716 7440 1 15 . 1 1 74 74 ASN H H 74 7.893 7.893 8.080 -0.187 25716 7441 1 15 . 1 1 75 75 ALA N N 75 125.068 125.068 122.861 2.207 25716 7442 1 15 . 1 1 75 75 ALA HA H 75 4.097 4.097 4.119 -0.022 25716 7443 1 15 . 1 1 75 75 ALA C C 75 177.809 177.809 179.721 -1.912 25716 7444 1 15 . 1 1 75 75 ALA CA C 75 55.365 55.365 54.677 0.688 25716 7445 1 15 . 1 1 75 75 ALA CB C 75 18.572 18.572 18.441 0.131 25716 7446 1 15 . 1 1 75 75 ALA H H 75 8.951 8.951 7.705 1.246 25716 7447 1 15 . 1 1 76 76 ILE N N 76 119.561 119.561 118.660 0.901 25716 7448 1 15 . 1 1 76 76 ILE HA H 76 3.615 3.615 3.390 0.225 25716 7449 1 15 . 1 1 76 76 ILE C C 76 175.344 175.344 177.684 -2.340 25716 7450 1 15 . 1 1 76 76 ILE CA C 76 65.272 65.272 65.132 0.140 25716 7451 1 15 . 1 1 76 76 ILE CB C 76 39.056 39.056 37.820 1.236 25716 7452 1 15 . 1 1 76 76 ILE H H 76 8.386 8.386 7.961 0.425 25716 7453 1 15 . 1 1 77 77 SER N N 77 114.090 114.090 115.478 -1.388 25716 7454 1 15 . 1 1 77 77 SER HA H 77 3.878 3.878 4.118 -0.240 25716 7455 1 15 . 1 1 77 77 SER C C 77 173.592 173.592 176.229 -2.637 25716 7456 1 15 . 1 1 77 77 SER CA C 77 62.733 62.733 61.691 1.042 25716 7457 1 15 . 1 1 77 77 SER CB C 77 62.864 62.864 63.035 -0.171 25716 7458 1 15 . 1 1 77 77 SER H H 77 8.250 8.250 8.277 -0.027 25716 7459 1 15 . 1 1 78 78 ARG N N 78 121.670 121.670 118.058 3.612 25716 7460 1 15 . 1 1 78 78 ARG HA H 78 4.129 4.129 4.472 -0.343 25716 7461 1 15 . 1 1 78 78 ARG C C 78 176.111 176.111 178.714 -2.603 25716 7462 1 15 . 1 1 78 78 ARG CA C 78 59.328 59.328 59.005 0.323 25716 7463 1 15 . 1 1 78 78 ARG CB C 78 29.814 29.814 29.491 0.323 25716 7464 1 15 . 1 1 78 78 ARG H H 78 8.086 8.086 7.709 0.377 25716 7465 1 15 . 1 1 79 79 THR N N 79 118.928 118.928 114.461 4.467 25716 7466 1 15 . 1 1 79 79 THR HA H 79 4.525 4.525 4.318 0.207 25716 7467 1 15 . 1 1 79 79 THR C C 79 173.364 173.364 176.093 -2.729 25716 7468 1 15 . 1 1 79 79 THR CA C 79 68.289 68.289 65.020 3.269 25716 7469 1 15 . 1 1 79 79 THR CB C 79 67.268 67.268 68.689 -1.421 25716 7470 1 15 . 1 1 79 79 THR H H 79 8.351 8.351 7.477 0.874 25716 7471 1 15 . 1 1 80 80 VAL N N 80 120.643 120.643 121.880 -1.237 25716 7472 1 15 . 1 1 80 80 VAL HA H 80 3.339 3.339 3.582 -0.243 25716 7473 1 15 . 1 1 80 80 VAL C C 80 174.438 174.438 177.733 -3.295 25716 7474 1 15 . 1 1 80 80 VAL CA C 80 67.603 67.603 66.484 1.119 25716 7475 1 15 . 1 1 80 80 VAL CB C 80 31.532 31.532 31.574 -0.042 25716 7476 1 15 . 1 1 80 80 VAL H H 80 8.242 8.242 7.944 0.298 25716 7477 1 15 . 1 1 81 81 GLU N N 81 118.067 118.067 118.974 -0.907 25716 7478 1 15 . 1 1 81 81 GLU HA H 81 3.943 3.943 3.962 -0.019 25716 7479 1 15 . 1 1 81 81 GLU C C 81 176.961 176.961 178.759 -1.798 25716 7480 1 15 . 1 1 81 81 GLU CA C 81 59.974 59.974 59.512 0.462 25716 7481 1 15 . 1 1 81 81 GLU CB C 81 29.817 29.817 29.213 0.604 25716 7482 1 15 . 1 1 81 81 GLU H H 81 8.296 8.296 8.101 0.195 25716 7483 1 15 . 1 1 82 82 GLN N N 82 119.947 119.947 120.369 -0.422 25716 7484 1 15 . 1 1 82 82 GLN HA H 82 4.110 4.110 4.143 -0.033 25716 7485 1 15 . 1 1 82 82 GLN C C 82 176.023 176.023 178.156 -2.133 25716 7486 1 15 . 1 1 82 82 GLN CA C 82 58.991 58.991 58.370 0.621 25716 7487 1 15 . 1 1 82 82 GLN CB C 82 28.136 28.136 28.282 -0.146 25716 7488 1 15 . 1 1 82 82 GLN H H 82 8.444 8.444 7.493 0.951 25716 7489 1 15 . 1 1 83 83 LEU N N 83 119.916 119.916 119.641 0.275 25716 7490 1 15 . 1 1 83 83 LEU HA H 83 4.075 4.075 4.030 0.045 25716 7491 1 15 . 1 1 83 83 LEU C C 83 177.753 177.753 179.212 -1.459 25716 7492 1 15 . 1 1 83 83 LEU CA C 83 57.453 57.453 57.264 0.188 25716 7493 1 15 . 1 1 83 83 LEU CB C 83 41.673 41.673 41.247 0.426 25716 7494 1 15 . 1 1 83 83 LEU H H 83 8.149 8.149 8.489 -0.340 25716 7495 1 15 . 1 1 84 84 LYS N N 84 121.059 121.059 120.608 0.451 25716 7496 1 15 . 1 1 84 84 LYS HA H 84 3.951 3.951 3.918 0.033 25716 7497 1 15 . 1 1 84 84 LYS C C 84 176.055 176.055 178.247 -2.192 25716 7498 1 15 . 1 1 84 84 LYS CA C 84 59.328 59.328 59.258 0.070 25716 7499 1 15 . 1 1 84 84 LYS CB C 84 32.291 32.291 31.779 0.512 25716 7500 1 15 . 1 1 84 84 LYS H H 84 8.373 8.373 7.881 0.492 25716 7501 1 15 . 1 1 85 85 ALA N N 85 122.134 122.134 121.194 0.940 25716 7502 1 15 . 1 1 85 85 ALA HA H 85 4.188 4.188 4.141 0.047 25716 7503 1 15 . 1 1 85 85 ALA C C 85 177.240 177.240 180.042 -2.802 25716 7504 1 15 . 1 1 85 85 ALA CA C 85 54.423 54.423 55.048 -0.625 25716 7505 1 15 . 1 1 85 85 ALA CB C 85 18.193 18.193 18.001 0.192 25716 7506 1 15 . 1 1 85 85 ALA H H 85 7.854 7.854 7.480 0.374 25716 7507 1 15 . 1 1 86 86 GLU N N 86 117.813 117.813 117.754 0.059 25716 7508 1 15 . 1 1 86 86 GLU HA H 86 4.115 4.115 3.989 0.126 25716 7509 1 15 . 1 1 86 86 GLU C C 86 175.547 175.547 179.161 -3.614 25716 7510 1 15 . 1 1 86 86 GLU CA C 86 58.199 58.199 59.116 -0.917 25716 7511 1 15 . 1 1 86 86 GLU CB C 86 29.841 29.841 29.108 0.734 25716 7512 1 15 . 1 1 86 86 GLU H H 86 8.059 8.059 8.283 -0.224 25716 7513 1 15 . 1 1 87 87 SER N N 87 114.771 114.771 114.942 -0.171 25716 7514 1 15 . 1 1 87 87 SER HA H 87 4.362 4.362 4.244 0.118 25716 7515 1 15 . 1 1 87 87 SER C C 87 172.405 172.405 176.214 -3.809 25716 7516 1 15 . 1 1 87 87 SER CA C 87 59.806 59.806 60.633 -0.827 25716 7517 1 15 . 1 1 87 87 SER CB C 87 63.528 63.528 63.094 0.434 25716 7518 1 15 . 1 1 87 87 SER H H 87 7.908 7.908 7.916 -0.008 25716 7519 1 15 . 1 1 88 88 ALA N N 88 124.277 124.277 123.186 1.091 25716 7520 1 15 . 1 1 88 88 ALA HA H 88 4.284 4.284 4.195 0.089 25716 7521 1 15 . 1 1 88 88 ALA C C 88 175.489 175.489 178.828 -3.339 25716 7522 1 15 . 1 1 88 88 ALA CA C 88 53.087 53.087 54.187 -1.100 25716 7523 1 15 . 1 1 88 88 ALA CB C 88 18.792 18.792 19.152 -0.360 25716 7524 1 15 . 1 1 88 88 ALA H H 88 7.812 7.812 7.658 0.154 25716 7525 1 15 . 1 1 89 89 LEU N N 89 119.411 119.411 118.647 0.764 25716 7526 1 15 . 1 1 89 89 LEU HA H 89 4.219 4.219 4.234 -0.015 25716 7527 1 15 . 1 1 89 89 LEU C C 89 175.025 175.025 178.125 -3.100 25716 7528 1 15 . 1 1 89 89 LEU CA C 89 55.608 55.608 55.692 -0.084 25716 7529 1 15 . 1 1 89 89 LEU CB C 89 42.213 42.213 42.492 -0.279 25716 7530 1 15 . 1 1 89 89 LEU H H 89 7.769 7.769 8.193 -0.424 25716 7531 1 16 . 1 1 2 2 ASP HA H 2 4.704 4.704 4.887 -0.183 25716 7532 1 16 . 1 1 2 2 ASP C C 2 173.822 173.822 176.627 -2.805 25716 7533 1 16 . 1 1 2 2 ASP CA C 2 54.130 54.130 53.588 0.542 25716 7534 1 16 . 1 1 2 2 ASP CB C 2 41.601 41.601 41.156 0.445 25716 7535 1 16 . 1 1 3 3 GLY N N 3 109.376 109.376 109.328 0.048 25716 7536 1 16 . 1 1 3 3 GLY C C 3 172.786 172.786 175.161 -2.375 25716 7537 1 16 . 1 1 3 3 GLY CA C 3 46.704 46.704 47.362 -0.658 25716 7538 1 16 . 1 1 3 3 GLY H H 3 8.712 8.712 8.456 0.256 25716 7539 1 16 . 1 1 4 4 GLU N N 4 120.623 120.623 120.478 0.145 25716 7540 1 16 . 1 1 4 4 GLU HA H 4 4.207 4.207 4.020 0.187 25716 7541 1 16 . 1 1 4 4 GLU C C 4 175.198 175.198 178.683 -3.485 25716 7542 1 16 . 1 1 4 4 GLU CA C 4 58.159 58.159 59.311 -1.152 25716 7543 1 16 . 1 1 4 4 GLU CB C 4 29.793 29.793 28.606 1.187 25716 7544 1 16 . 1 1 4 4 GLU H H 4 8.280 8.280 8.716 -0.436 25716 7545 1 16 . 1 1 5 5 GLU N N 5 121.684 121.684 120.127 1.557 25716 7546 1 16 . 1 1 5 5 GLU HA H 5 4.173 4.173 4.146 0.027 25716 7547 1 16 . 1 1 5 5 GLU C C 5 175.720 175.720 179.002 -3.282 25716 7548 1 16 . 1 1 5 5 GLU CA C 5 58.648 58.648 58.730 -0.082 25716 7549 1 16 . 1 1 5 5 GLU CB C 5 29.819 29.819 29.294 0.525 25716 7550 1 16 . 1 1 5 5 GLU H H 5 8.254 8.254 7.526 0.728 25716 7551 1 16 . 1 1 6 6 VAL N N 6 120.195 120.195 120.694 -0.499 25716 7552 1 16 . 1 1 6 6 VAL HA H 6 3.594 3.594 3.817 -0.223 25716 7553 1 16 . 1 1 6 6 VAL C C 6 174.638 174.638 177.823 -3.185 25716 7554 1 16 . 1 1 6 6 VAL CA C 6 66.621 66.621 65.020 1.601 25716 7555 1 16 . 1 1 6 6 VAL CB C 6 32.041 32.041 31.881 0.160 25716 7556 1 16 . 1 1 6 6 VAL H H 6 8.137 8.137 7.644 0.493 25716 7557 1 16 . 1 1 7 7 LYS N N 7 118.688 118.688 119.768 -1.080 25716 7558 1 16 . 1 1 7 7 LYS HA H 7 3.776 3.776 3.961 -0.185 25716 7559 1 16 . 1 1 7 7 LYS C C 7 175.192 175.192 178.592 -3.400 25716 7560 1 16 . 1 1 7 7 LYS CA C 7 60.903 60.903 60.584 0.319 25716 7561 1 16 . 1 1 7 7 LYS CB C 7 32.251 32.251 32.233 0.018 25716 7562 1 16 . 1 1 7 7 LYS H H 7 8.099 8.099 8.255 -0.156 25716 7563 1 16 . 1 1 8 8 GLU N N 8 117.138 117.138 119.343 -2.205 25716 7564 1 16 . 1 1 8 8 GLU HA H 8 4.188 4.188 4.074 0.114 25716 7565 1 16 . 1 1 8 8 GLU C C 8 176.405 176.405 179.081 -2.676 25716 7566 1 16 . 1 1 8 8 GLU CA C 8 58.635 58.635 59.428 -0.793 25716 7567 1 16 . 1 1 8 8 GLU CB C 8 29.149 29.149 29.459 -0.310 25716 7568 1 16 . 1 1 8 8 GLU H H 8 7.875 7.875 7.779 0.096 25716 7569 1 16 . 1 1 9 9 LYS N N 9 119.639 119.639 119.353 0.286 25716 7570 1 16 . 1 1 9 9 LYS HA H 9 4.072 4.072 4.165 -0.093 25716 7571 1 16 . 1 1 9 9 LYS C C 9 177.376 177.376 179.245 -1.869 25716 7572 1 16 . 1 1 9 9 LYS CA C 9 59.994 59.994 59.780 0.214 25716 7573 1 16 . 1 1 9 9 LYS CB C 9 32.471 32.471 32.578 -0.107 25716 7574 1 16 . 1 1 9 9 LYS H H 9 8.102 8.102 7.788 0.314 25716 7575 1 16 . 1 1 10 10 ILE N N 10 119.456 119.456 119.305 0.151 25716 7576 1 16 . 1 1 10 10 ILE HA H 10 3.713 3.713 3.747 -0.034 25716 7577 1 16 . 1 1 10 10 ILE C C 10 174.153 174.153 177.869 -3.716 25716 7578 1 16 . 1 1 10 10 ILE CA C 10 65.549 65.549 64.896 0.653 25716 7579 1 16 . 1 1 10 10 ILE CB C 10 37.522 37.522 38.038 -0.516 25716 7580 1 16 . 1 1 10 10 ILE H H 10 8.210 8.210 7.698 0.512 25716 7581 1 16 . 1 1 11 11 ARG N N 11 121.172 121.172 119.028 2.144 25716 7582 1 16 . 1 1 11 11 ARG HA H 11 3.608 3.608 4.049 -0.441 25716 7583 1 16 . 1 1 11 11 ARG C C 11 174.925 174.925 178.482 -3.557 25716 7584 1 16 . 1 1 11 11 ARG CA C 11 60.617 60.617 58.756 1.861 25716 7585 1 16 . 1 1 11 11 ARG CB C 11 30.480 30.480 29.364 1.116 25716 7586 1 16 . 1 1 11 11 ARG H H 11 8.851 8.851 8.295 0.556 25716 7587 1 16 . 1 1 12 12 ARG N N 12 116.578 116.578 120.209 -3.631 25716 7588 1 16 . 1 1 12 12 ARG HA H 12 3.935 3.935 4.114 -0.179 25716 7589 1 16 . 1 1 12 12 ARG C C 12 174.817 174.817 178.334 -3.517 25716 7590 1 16 . 1 1 12 12 ARG CA C 12 59.162 59.162 58.732 0.430 25716 7591 1 16 . 1 1 12 12 ARG CB C 12 29.476 29.476 29.555 -0.079 25716 7592 1 16 . 1 1 12 12 ARG H H 12 8.126 8.126 8.047 0.079 25716 7593 1 16 . 1 1 13 13 TYR N N 13 119.994 119.994 121.121 -1.127 25716 7594 1 16 . 1 1 13 13 TYR HA H 13 4.047 4.047 4.114 -0.067 25716 7595 1 16 . 1 1 13 13 TYR C C 13 175.273 175.273 177.879 -2.606 25716 7596 1 16 . 1 1 13 13 TYR CA C 13 61.856 61.856 60.856 1.000 25716 7597 1 16 . 1 1 13 13 TYR CB C 13 38.459 38.459 37.653 0.806 25716 7598 1 16 . 1 1 13 13 TYR H H 13 7.758 7.758 7.709 0.049 25716 7599 1 16 . 1 1 14 14 ILE N N 14 117.754 117.754 119.488 -1.734 25716 7600 1 16 . 1 1 14 14 ILE HA H 14 3.239 3.239 3.421 -0.182 25716 7601 1 16 . 1 1 14 14 ILE C C 14 175.425 175.425 177.252 -1.827 25716 7602 1 16 . 1 1 14 14 ILE CA C 14 65.826 65.826 65.508 0.318 25716 7603 1 16 . 1 1 14 14 ILE CB C 14 37.782 37.782 37.632 0.150 25716 7604 1 16 . 1 1 14 14 ILE H H 14 8.464 8.464 8.249 0.215 25716 7605 1 16 . 1 1 15 15 MET N N 15 116.173 116.173 117.996 -1.823 25716 7606 1 16 . 1 1 15 15 MET HA H 15 3.939 3.939 4.074 -0.136 25716 7607 1 16 . 1 1 15 15 MET C C 15 174.676 174.676 178.030 -3.354 25716 7608 1 16 . 1 1 15 15 MET CA C 15 59.276 59.276 59.139 0.137 25716 7609 1 16 . 1 1 15 15 MET CB C 15 32.885 32.885 32.373 0.512 25716 7610 1 16 . 1 1 15 15 MET H H 15 8.265 8.265 7.666 0.599 25716 7611 1 16 . 1 1 16 16 GLU N N 16 116.398 116.398 117.775 -1.377 25716 7612 1 16 . 1 1 16 16 GLU HA H 16 3.980 3.980 4.055 -0.075 25716 7613 1 16 . 1 1 16 16 GLU C C 16 175.158 175.158 178.215 -3.057 25716 7614 1 16 . 1 1 16 16 GLU CA C 16 58.767 58.767 58.437 0.330 25716 7615 1 16 . 1 1 16 16 GLU CB C 16 30.078 30.078 29.637 0.441 25716 7616 1 16 . 1 1 16 16 GLU H H 16 8.619 8.619 7.851 0.768 25716 7617 1 16 . 1 1 17 17 ASP N N 17 116.973 116.973 117.339 -0.366 25716 7618 1 16 . 1 1 17 17 ASP HA H 17 4.591 4.591 4.535 0.056 25716 7619 1 16 . 1 1 17 17 ASP C C 17 174.240 174.240 177.601 -3.361 25716 7620 1 16 . 1 1 17 17 ASP CA C 17 55.438 55.438 55.362 0.076 25716 7621 1 16 . 1 1 17 17 ASP CB C 17 42.657 42.657 41.847 0.810 25716 7622 1 16 . 1 1 17 17 ASP H H 17 8.119 8.119 7.709 0.410 25716 7623 1 16 . 1 1 18 18 LEU N N 18 115.667 115.667 119.919 -4.252 25716 7624 1 16 . 1 1 18 18 LEU HA H 18 4.488 4.488 4.218 0.270 25716 7625 1 16 . 1 1 18 18 LEU C C 18 175.062 175.062 177.976 -2.914 25716 7626 1 16 . 1 1 18 18 LEU CA C 18 56.075 56.075 56.450 -0.375 25716 7627 1 16 . 1 1 18 18 LEU CB C 18 41.096 41.096 42.626 -1.530 25716 7628 1 16 . 1 1 18 18 LEU H H 18 7.162 7.162 7.182 -0.020 25716 7629 1 16 . 1 1 19 19 ILE N N 19 120.763 120.763 116.964 3.799 25716 7630 1 16 . 1 1 19 19 ILE HA H 19 3.979 3.979 4.130 -0.151 25716 7631 1 16 . 1 1 19 19 ILE C C 19 174.557 174.557 176.174 -1.617 25716 7632 1 16 . 1 1 19 19 ILE CA C 19 63.809 63.809 61.789 2.020 25716 7633 1 16 . 1 1 19 19 ILE CB C 19 38.044 38.044 39.038 -0.994 25716 7634 1 16 . 1 1 19 19 ILE H H 19 8.017 8.017 7.981 0.036 25716 7635 1 16 . 1 1 20 20 GLY N N 20 108.619 108.619 110.167 -1.548 25716 7636 1 16 . 1 1 20 20 GLY CA C 20 44.560 44.560 45.271 -0.711 25716 7637 1 16 . 1 1 20 20 GLY H H 20 8.126 8.126 8.458 -0.332 25716 7638 1 16 . 1 1 21 21 PRO HA H 21 4.385 4.385 4.410 -0.025 25716 7639 1 16 . 1 1 21 21 PRO C C 21 174.855 174.855 177.497 -2.642 25716 7640 1 16 . 1 1 21 21 PRO CA C 21 64.406 64.406 63.972 0.434 25716 7641 1 16 . 1 1 21 21 PRO CB C 21 32.027 32.027 31.992 0.035 25716 7642 1 16 . 1 1 22 22 SER N N 22 114.165 114.165 116.208 -2.043 25716 7643 1 16 . 1 1 22 22 SER HA H 22 4.394 4.394 4.467 -0.073 25716 7644 1 16 . 1 1 22 22 SER C C 22 171.708 171.708 173.361 -1.653 25716 7645 1 16 . 1 1 22 22 SER CA C 22 58.871 58.871 57.636 1.235 25716 7646 1 16 . 1 1 22 22 SER CB C 22 63.473 63.473 62.080 1.393 25716 7647 1 16 . 1 1 22 22 SER H H 22 8.279 8.279 8.250 0.029 25716 7648 1 16 . 1 1 23 23 ALA N N 23 125.151 125.151 122.939 2.212 25716 7649 1 16 . 1 1 23 23 ALA HA H 23 4.250 4.250 4.640 -0.390 25716 7650 1 16 . 1 1 23 23 ALA C C 23 174.903 174.903 175.578 -0.675 25716 7651 1 16 . 1 1 23 23 ALA CA C 23 52.851 52.851 51.496 1.355 25716 7652 1 16 . 1 1 23 23 ALA CB C 23 19.376 19.376 19.815 -0.439 25716 7653 1 16 . 1 1 23 23 ALA H H 23 8.040 8.040 7.176 0.864 25716 7654 1 16 . 1 1 24 24 LYS N N 24 120.823 120.823 121.410 -0.587 25716 7655 1 16 . 1 1 24 24 LYS HA H 24 4.346 4.346 4.299 0.047 25716 7656 1 16 . 1 1 24 24 LYS C C 24 174.522 174.522 178.298 -3.776 25716 7657 1 16 . 1 1 24 24 LYS CA C 24 55.938 55.938 55.642 0.297 25716 7658 1 16 . 1 1 24 24 LYS CB C 24 33.187 33.187 33.270 -0.083 25716 7659 1 16 . 1 1 24 24 LYS H H 24 8.306 8.306 7.901 0.405 25716 7660 1 16 . 1 1 25 25 GLU N N 25 121.186 121.186 121.104 0.082 25716 7661 1 16 . 1 1 25 25 GLU HA H 25 4.114 4.114 4.052 0.062 25716 7662 1 16 . 1 1 25 25 GLU C C 25 173.808 173.808 176.403 -2.595 25716 7663 1 16 . 1 1 25 25 GLU CA C 25 58.023 58.023 59.472 -1.449 25716 7664 1 16 . 1 1 25 25 GLU CB C 25 29.769 29.769 29.510 0.259 25716 7665 1 16 . 1 1 25 25 GLU H H 25 8.569 8.569 8.847 -0.278 25716 7666 1 16 . 1 1 26 26 ASP N N 26 117.111 117.111 114.913 2.198 25716 7667 1 16 . 1 1 26 26 ASP HA H 26 4.569 4.569 4.732 -0.163 25716 7668 1 16 . 1 1 26 26 ASP C C 26 173.265 173.265 176.238 -2.973 25716 7669 1 16 . 1 1 26 26 ASP CA C 26 54.061 54.061 53.723 0.338 25716 7670 1 16 . 1 1 26 26 ASP CB C 26 40.742 40.742 40.820 -0.078 25716 7671 1 16 . 1 1 26 26 ASP H H 26 8.139 8.139 8.199 -0.060 25716 7672 1 16 . 1 1 27 27 GLU N N 27 118.932 118.932 119.929 -0.997 25716 7673 1 16 . 1 1 27 27 GLU HA H 27 4.239 4.239 4.566 -0.327 25716 7674 1 16 . 1 1 27 27 GLU C C 27 172.838 172.838 176.463 -3.625 25716 7675 1 16 . 1 1 27 27 GLU CA C 27 56.645 56.645 58.304 -1.659 25716 7676 1 16 . 1 1 27 27 GLU CB C 27 30.703 30.703 30.833 -0.130 25716 7677 1 16 . 1 1 27 27 GLU H H 27 7.859 7.859 7.970 -0.111 25716 7678 1 16 . 1 1 28 28 LEU N N 28 121.726 121.726 119.871 1.855 25716 7679 1 16 . 1 1 28 28 LEU HA H 28 4.570 4.570 4.330 0.240 25716 7680 1 16 . 1 1 28 28 LEU C C 28 172.438 172.438 175.626 -3.188 25716 7681 1 16 . 1 1 28 28 LEU CA C 28 54.503 54.503 55.162 -0.659 25716 7682 1 16 . 1 1 28 28 LEU CB C 28 43.342 43.342 40.998 2.344 25716 7683 1 16 . 1 1 28 28 LEU H H 28 7.671 7.671 7.753 -0.082 25716 7684 1 16 . 1 1 29 29 ASP N N 29 126.685 126.685 122.596 4.089 25716 7685 1 16 . 1 1 29 29 ASP HA H 29 4.822 4.822 4.788 0.034 25716 7686 1 16 . 1 1 29 29 ASP C C 29 173.732 173.732 176.405 -2.673 25716 7687 1 16 . 1 1 29 29 ASP CA C 29 52.855 52.855 53.137 -0.282 25716 7688 1 16 . 1 1 29 29 ASP CB C 29 43.124 43.124 45.067 -1.943 25716 7689 1 16 . 1 1 29 29 ASP H H 29 8.950 8.950 7.490 1.460 25716 7690 1 16 . 1 1 30 30 ASP N N 30 120.317 120.317 118.860 1.457 25716 7691 1 16 . 1 1 30 30 ASP HA H 30 4.247 4.247 4.351 -0.104 25716 7692 1 16 . 1 1 30 30 ASP C C 30 172.143 172.143 176.086 -3.943 25716 7693 1 16 . 1 1 30 30 ASP CA C 30 57.352 57.352 57.086 0.266 25716 7694 1 16 . 1 1 30 30 ASP CB C 30 40.160 40.160 40.357 -0.197 25716 7695 1 16 . 1 1 30 30 ASP H H 30 8.500 8.500 8.606 -0.106 25716 7696 1 16 . 1 1 31 31 GLN N N 31 111.109 111.109 116.563 -5.454 25716 7697 1 16 . 1 1 31 31 GLN HA H 31 4.590 4.590 4.491 0.099 25716 7698 1 16 . 1 1 31 31 GLN C C 31 174.343 174.343 175.396 -1.053 25716 7699 1 16 . 1 1 31 31 GLN CA C 31 54.437 54.437 54.742 -0.305 25716 7700 1 16 . 1 1 31 31 GLN CB C 31 30.038 30.038 29.320 0.718 25716 7701 1 16 . 1 1 31 31 GLN H H 31 8.234 8.234 8.182 0.052 25716 7702 1 16 . 1 1 32 32 THR N N 32 123.333 123.333 118.743 4.590 25716 7703 1 16 . 1 1 32 32 THR HA H 32 3.856 3.856 4.223 -0.367 25716 7704 1 16 . 1 1 32 32 THR CA C 32 62.805 62.805 61.575 1.230 25716 7705 1 16 . 1 1 32 32 THR CB C 32 69.907 69.907 68.837 1.070 25716 7706 1 16 . 1 1 32 32 THR H H 32 7.663 7.663 7.277 0.386 25716 7707 1 16 . 1 1 33 33 PRO HA H 33 4.823 4.823 4.602 0.221 25716 7708 1 16 . 1 1 33 33 PRO C C 33 172.190 172.190 176.851 -4.661 25716 7709 1 16 . 1 1 33 33 PRO CA C 33 61.670 61.670 62.699 -1.029 25716 7710 1 16 . 1 1 33 33 PRO CB C 33 29.880 29.880 31.289 -1.409 25716 7711 1 16 . 1 1 34 34 LEU N N 34 126.562 126.562 124.070 2.492 25716 7712 1 16 . 1 1 34 34 LEU HA H 34 3.820 3.820 3.733 0.087 25716 7713 1 16 . 1 1 34 34 LEU C C 34 176.590 176.590 178.550 -1.960 25716 7714 1 16 . 1 1 34 34 LEU CA C 34 57.808 57.808 58.118 -0.310 25716 7715 1 16 . 1 1 34 34 LEU CB C 34 42.569 42.569 41.641 0.928 25716 7716 1 16 . 1 1 34 34 LEU H H 34 7.988 7.988 8.247 -0.259 25716 7717 1 16 . 1 1 35 35 LEU N N 35 117.687 117.687 117.248 0.439 25716 7718 1 16 . 1 1 35 35 LEU HA H 35 4.539 4.539 4.142 0.397 25716 7719 1 16 . 1 1 35 35 LEU C C 35 178.411 178.411 179.090 -0.679 25716 7720 1 16 . 1 1 35 35 LEU CA C 35 56.531 56.531 57.543 -1.012 25716 7721 1 16 . 1 1 35 35 LEU CB C 35 41.338 41.338 41.877 -0.538 25716 7722 1 16 . 1 1 35 35 LEU H H 35 8.184 8.184 7.490 0.694 25716 7723 1 16 . 1 1 36 36 GLU N N 36 121.488 121.488 118.541 2.947 25716 7724 1 16 . 1 1 36 36 GLU HA H 36 4.118 4.118 4.160 -0.042 25716 7725 1 16 . 1 1 36 36 GLU C C 36 175.984 175.984 178.356 -2.372 25716 7726 1 16 . 1 1 36 36 GLU CA C 36 59.264 59.264 58.947 0.318 25716 7727 1 16 . 1 1 36 36 GLU CB C 36 29.608 29.608 29.067 0.541 25716 7728 1 16 . 1 1 36 36 GLU H H 36 7.857 7.857 8.111 -0.254 25716 7729 1 16 . 1 1 37 37 TRP N N 37 115.319 115.319 118.795 -3.476 25716 7730 1 16 . 1 1 37 37 TRP HA H 37 4.950 4.950 4.589 0.361 25716 7731 1 16 . 1 1 37 37 TRP C C 37 174.270 174.270 177.682 -3.412 25716 7732 1 16 . 1 1 37 37 TRP CA C 37 56.075 56.075 57.928 -1.853 25716 7733 1 16 . 1 1 37 37 TRP CB C 37 29.050 29.050 29.262 -0.211 25716 7734 1 16 . 1 1 37 37 TRP H H 37 8.180 8.180 8.101 0.079 25716 7735 1 16 . 1 1 38 38 GLY N N 38 106.793 106.793 106.675 0.118 25716 7736 1 16 . 1 1 38 38 GLY C C 38 171.784 171.784 175.320 -3.536 25716 7737 1 16 . 1 1 38 38 GLY CA C 38 46.275 46.275 46.072 0.204 25716 7738 1 16 . 1 1 38 38 GLY H H 38 7.704 7.704 7.789 -0.085 25716 7739 1 16 . 1 1 39 39 ILE N N 39 120.597 120.597 114.396 6.201 25716 7740 1 16 . 1 1 39 39 ILE HA H 39 3.753 3.753 4.045 -0.292 25716 7741 1 16 . 1 1 39 39 ILE C C 39 174.148 174.148 175.825 -1.677 25716 7742 1 16 . 1 1 39 39 ILE CA C 39 63.934 63.934 62.850 1.084 25716 7743 1 16 . 1 1 39 39 ILE CB C 39 38.673 38.673 38.144 0.529 25716 7744 1 16 . 1 1 39 39 ILE H H 39 7.697 7.697 7.454 0.243 25716 7745 1 16 . 1 1 40 40 LEU N N 40 115.102 115.102 120.579 -5.477 25716 7746 1 16 . 1 1 40 40 LEU HA H 40 4.934 4.934 4.471 0.463 25716 7747 1 16 . 1 1 40 40 LEU C C 40 172.286 172.286 175.664 -3.378 25716 7748 1 16 . 1 1 40 40 LEU CA C 40 52.249 52.249 53.411 -1.162 25716 7749 1 16 . 1 1 40 40 LEU CB C 40 43.454 43.454 40.409 3.045 25716 7750 1 16 . 1 1 40 40 LEU H H 40 7.307 7.307 7.604 -0.297 25716 7751 1 16 . 1 1 41 41 ASN N N 41 117.306 117.306 120.911 -3.605 25716 7752 1 16 . 1 1 41 41 ASN HA H 41 4.589 4.589 4.764 -0.175 25716 7753 1 16 . 1 1 41 41 ASN C C 41 171.807 171.807 175.731 -3.924 25716 7754 1 16 . 1 1 41 41 ASN CA C 41 52.017 52.017 52.811 -0.794 25716 7755 1 16 . 1 1 41 41 ASN CB C 41 39.872 39.872 42.172 -2.300 25716 7756 1 16 . 1 1 41 41 ASN H H 41 8.466 8.466 8.336 0.130 25716 7757 1 16 . 1 1 42 42 SER N N 42 113.236 113.236 118.961 -5.725 25716 7758 1 16 . 1 1 42 42 SER HA H 42 4.116 4.116 4.159 -0.043 25716 7759 1 16 . 1 1 42 42 SER C C 42 171.631 171.631 176.565 -4.934 25716 7760 1 16 . 1 1 42 42 SER CA C 42 60.951 60.951 61.598 -0.647 25716 7761 1 16 . 1 1 42 42 SER CB C 42 65.868 65.868 62.981 2.887 25716 7762 1 16 . 1 1 42 42 SER H H 42 9.138 9.138 8.694 0.444 25716 7763 1 16 . 1 1 43 43 MET N N 43 118.797 118.797 117.563 1.234 25716 7764 1 16 . 1 1 43 43 MET HA H 43 4.467 4.467 4.300 0.167 25716 7765 1 16 . 1 1 43 43 MET CA C 43 57.429 57.429 57.794 -0.365 25716 7766 1 16 . 1 1 43 43 MET CB C 43 32.494 32.494 32.071 0.423 25716 7767 1 16 . 1 1 43 43 MET H H 43 8.292 8.292 7.951 0.341 25716 7768 1 16 . 1 1 44 44 ASN N N 44 117.701 117.701 116.182 1.519 25716 7769 1 16 . 1 1 44 44 ASN HA H 44 4.686 4.686 4.685 0.001 25716 7770 1 16 . 1 1 44 44 ASN C C 44 175.889 175.889 176.918 -1.029 25716 7771 1 16 . 1 1 44 44 ASN CA C 44 53.826 53.826 54.717 -0.891 25716 7772 1 16 . 1 1 44 44 ASN CB C 44 38.484 38.484 39.254 -0.770 25716 7773 1 16 . 1 1 44 44 ASN H H 44 8.299 8.299 7.829 0.470 25716 7774 1 16 . 1 1 45 45 ILE N N 45 122.124 122.124 121.457 0.667 25716 7775 1 16 . 1 1 45 45 ILE HA H 45 3.783 3.783 3.906 -0.123 25716 7776 1 16 . 1 1 45 45 ILE C C 45 174.370 174.370 177.181 -2.811 25716 7777 1 16 . 1 1 45 45 ILE CA C 45 64.892 64.892 63.802 1.090 25716 7778 1 16 . 1 1 45 45 ILE CB C 45 37.778 37.778 38.073 -0.295 25716 7779 1 16 . 1 1 45 45 ILE H H 45 8.417 8.417 8.129 0.288 25716 7780 1 16 . 1 1 46 46 VAL N N 46 120.176 120.176 116.642 3.534 25716 7781 1 16 . 1 1 46 46 VAL HA H 46 3.714 3.714 3.676 0.038 25716 7782 1 16 . 1 1 46 46 VAL C C 46 175.129 175.129 177.254 -2.125 25716 7783 1 16 . 1 1 46 46 VAL CA C 46 66.227 66.227 66.128 0.099 25716 7784 1 16 . 1 1 46 46 VAL CB C 46 31.294 31.294 31.232 0.062 25716 7785 1 16 . 1 1 46 46 VAL H H 46 7.394 7.394 7.521 -0.127 25716 7786 1 16 . 1 1 47 47 LYS N N 47 118.640 118.640 119.564 -0.924 25716 7787 1 16 . 1 1 47 47 LYS HA H 47 4.005 4.005 4.207 -0.202 25716 7788 1 16 . 1 1 47 47 LYS CA C 47 60.033 60.033 58.857 1.176 25716 7789 1 16 . 1 1 47 47 LYS CB C 47 32.093 32.093 31.632 0.461 25716 7790 1 16 . 1 1 47 47 LYS H H 47 7.221 7.221 7.349 -0.128 25716 7791 1 16 . 1 1 48 48 LEU N N 48 119.812 119.812 120.223 -0.411 25716 7792 1 16 . 1 1 48 48 LEU HA H 48 4.261 4.261 4.207 0.054 25716 7793 1 16 . 1 1 48 48 LEU C C 48 175.105 175.105 179.005 -3.900 25716 7794 1 16 . 1 1 48 48 LEU CA C 48 57.717 57.717 57.872 -0.155 25716 7795 1 16 . 1 1 48 48 LEU CB C 48 41.683 41.683 41.869 -0.186 25716 7796 1 16 . 1 1 48 48 LEU H H 48 7.812 7.812 7.474 0.338 25716 7797 1 16 . 1 1 49 49 MET N N 49 118.031 118.031 117.372 0.659 25716 7798 1 16 . 1 1 49 49 MET HA H 49 3.919 3.919 4.193 -0.274 25716 7799 1 16 . 1 1 49 49 MET C C 49 176.673 176.673 178.899 -2.226 25716 7800 1 16 . 1 1 49 49 MET CA C 49 60.304 60.304 59.370 0.934 25716 7801 1 16 . 1 1 49 49 MET CB C 49 33.071 33.071 32.631 0.440 25716 7802 1 16 . 1 1 49 49 MET H H 49 8.583 8.583 7.730 0.853 25716 7803 1 16 . 1 1 50 50 VAL N N 50 122.370 122.370 117.219 5.151 25716 7804 1 16 . 1 1 50 50 VAL HA H 50 3.497 3.497 3.807 -0.310 25716 7805 1 16 . 1 1 50 50 VAL C C 50 173.639 173.639 177.404 -3.765 25716 7806 1 16 . 1 1 50 50 VAL CA C 50 67.182 67.182 65.578 1.604 25716 7807 1 16 . 1 1 50 50 VAL CB C 50 31.551 31.551 30.588 0.963 25716 7808 1 16 . 1 1 50 50 VAL H H 50 8.246 8.246 7.978 0.268 25716 7809 1 16 . 1 1 51 51 TYR N N 51 121.444 121.444 123.104 -1.660 25716 7810 1 16 . 1 1 51 51 TYR HA H 51 4.110 4.110 3.921 0.189 25716 7811 1 16 . 1 1 51 51 TYR C C 51 174.688 174.688 177.474 -2.786 25716 7812 1 16 . 1 1 51 51 TYR CA C 51 61.795 61.795 62.104 -0.309 25716 7813 1 16 . 1 1 51 51 TYR CB C 51 38.036 38.036 38.327 -0.291 25716 7814 1 16 . 1 1 51 51 TYR H H 51 7.774 7.774 7.409 0.365 25716 7815 1 16 . 1 1 52 52 ILE N N 52 118.347 118.347 118.033 0.314 25716 7816 1 16 . 1 1 52 52 ILE HA H 52 3.283 3.283 3.549 -0.266 25716 7817 1 16 . 1 1 52 52 ILE C C 52 175.421 175.421 178.023 -2.602 25716 7818 1 16 . 1 1 52 52 ILE CA C 52 65.477 65.477 65.430 0.047 25716 7819 1 16 . 1 1 52 52 ILE CB C 52 38.703 38.703 37.579 1.124 25716 7820 1 16 . 1 1 52 52 ILE H H 52 8.388 8.388 8.575 -0.187 25716 7821 1 16 . 1 1 53 53 ARG N N 53 121.323 121.323 119.537 1.786 25716 7822 1 16 . 1 1 53 53 ARG HA H 53 3.920 3.920 3.979 -0.059 25716 7823 1 16 . 1 1 53 53 ARG C C 53 176.463 176.463 177.706 -1.243 25716 7824 1 16 . 1 1 53 53 ARG CA C 53 59.458 59.458 59.791 -0.333 25716 7825 1 16 . 1 1 53 53 ARG CB C 53 30.296 30.296 30.017 0.279 25716 7826 1 16 . 1 1 53 53 ARG H H 53 7.831 7.831 8.026 -0.195 25716 7827 1 16 . 1 1 54 54 ASP N N 54 119.945 119.945 117.958 1.987 25716 7828 1 16 . 1 1 54 54 ASP HA H 54 4.319 4.319 4.470 -0.151 25716 7829 1 16 . 1 1 54 54 ASP C C 54 175.314 175.314 178.029 -2.715 25716 7830 1 16 . 1 1 54 54 ASP CA C 54 57.126 57.126 56.517 0.609 25716 7831 1 16 . 1 1 54 54 ASP CB C 54 40.074 40.074 41.129 -1.055 25716 7832 1 16 . 1 1 54 54 ASP H H 54 8.760 8.760 7.549 1.211 25716 7833 1 16 . 1 1 55 55 GLU N N 55 117.530 117.530 119.510 -1.980 25716 7834 1 16 . 1 1 55 55 GLU HA H 55 4.239 4.239 3.919 0.320 25716 7835 1 16 . 1 1 55 55 GLU C C 55 175.224 175.224 177.981 -2.757 25716 7836 1 16 . 1 1 55 55 GLU CA C 55 56.852 56.852 58.326 -1.474 25716 7837 1 16 . 1 1 55 55 GLU CB C 55 29.329 29.329 29.492 -0.164 25716 7838 1 16 . 1 1 55 55 GLU H H 55 8.701 8.701 8.208 0.493 25716 7839 1 16 . 1 1 56 56 MET N N 56 113.874 113.874 115.958 -2.084 25716 7840 1 16 . 1 1 56 56 MET HA H 56 4.566 4.566 4.420 0.146 25716 7841 1 16 . 1 1 56 56 MET C C 56 173.968 173.968 176.663 -2.695 25716 7842 1 16 . 1 1 56 56 MET CA C 56 55.539 55.539 54.543 0.996 25716 7843 1 16 . 1 1 56 56 MET CB C 56 34.094 34.094 33.436 0.658 25716 7844 1 16 . 1 1 56 56 MET H H 56 7.464 7.464 7.646 -0.182 25716 7845 1 16 . 1 1 57 57 GLY N N 57 107.900 107.900 105.737 2.163 25716 7846 1 16 . 1 1 57 57 GLY C C 57 171.496 171.496 174.161 -2.665 25716 7847 1 16 . 1 1 57 57 GLY CA C 57 46.561 46.561 45.211 1.350 25716 7848 1 16 . 1 1 57 57 GLY H H 57 7.291 7.291 7.727 -0.436 25716 7849 1 16 . 1 1 58 58 VAL N N 58 117.126 117.126 120.322 -3.196 25716 7850 1 16 . 1 1 58 58 VAL HA H 58 4.283 4.283 4.259 0.024 25716 7851 1 16 . 1 1 58 58 VAL C C 58 171.116 171.116 174.947 -3.831 25716 7852 1 16 . 1 1 58 58 VAL CA C 58 60.487 60.487 60.765 -0.278 25716 7853 1 16 . 1 1 58 58 VAL CB C 58 34.837 34.837 31.887 2.950 25716 7854 1 16 . 1 1 58 58 VAL H H 58 6.970 6.970 7.742 -0.772 25716 7855 1 16 . 1 1 59 59 SER N N 59 122.188 122.188 122.771 -0.583 25716 7856 1 16 . 1 1 59 59 SER HA H 59 4.432 4.432 4.493 -0.061 25716 7857 1 16 . 1 1 59 59 SER C C 59 170.766 170.766 174.466 -3.700 25716 7858 1 16 . 1 1 59 59 SER CA C 59 56.563 56.563 57.165 -0.602 25716 7859 1 16 . 1 1 59 59 SER CB C 59 63.106 63.106 63.238 -0.132 25716 7860 1 16 . 1 1 59 59 SER H H 59 8.609 8.609 8.465 0.144 25716 7861 1 16 . 1 1 60 60 ILE N N 60 128.230 128.230 129.833 -1.603 25716 7862 1 16 . 1 1 60 60 ILE HA H 60 4.033 4.033 4.271 -0.238 25716 7863 1 16 . 1 1 60 60 ILE CA C 60 58.127 58.127 58.729 -0.602 25716 7864 1 16 . 1 1 60 60 ILE CB C 60 38.217 38.217 37.647 0.570 25716 7865 1 16 . 1 1 60 60 ILE H H 60 8.257 8.257 8.318 -0.061 25716 7866 1 16 . 1 1 61 61 PRO HA H 61 4.501 4.501 4.618 -0.117 25716 7867 1 16 . 1 1 61 61 PRO CA C 61 62.352 62.352 62.302 0.050 25716 7868 1 16 . 1 1 61 61 PRO CB C 61 32.469 32.469 32.633 -0.164 25716 7869 1 16 . 1 1 62 62 SER HA H 62 4.058 4.058 4.118 -0.060 25716 7870 1 16 . 1 1 62 62 SER C C 62 173.269 173.269 176.706 -3.437 25716 7871 1 16 . 1 1 62 62 SER CA C 62 61.511 61.511 60.706 0.805 25716 7872 1 16 . 1 1 62 62 SER CB C 62 62.646 62.646 62.963 -0.317 25716 7873 1 16 . 1 1 63 63 THR N N 63 110.178 110.178 116.972 -6.794 25716 7874 1 16 . 1 1 63 63 THR HA H 63 4.066 4.066 4.182 -0.116 25716 7875 1 16 . 1 1 63 63 THR C C 63 172.917 172.917 175.328 -2.411 25716 7876 1 16 . 1 1 63 63 THR CA C 63 63.007 63.007 64.237 -1.230 25716 7877 1 16 . 1 1 63 63 THR CB C 63 69.323 69.323 68.730 0.593 25716 7878 1 16 . 1 1 63 63 THR H H 63 7.307 7.307 8.040 -0.733 25716 7879 1 16 . 1 1 64 64 HIS N N 64 121.862 121.862 116.104 5.758 25716 7880 1 16 . 1 1 64 64 HIS HA H 64 4.495 4.495 4.475 0.020 25716 7881 1 16 . 1 1 64 64 HIS C C 64 171.495 171.495 175.795 -4.300 25716 7882 1 16 . 1 1 64 64 HIS CA C 64 56.203 56.203 55.563 0.640 25716 7883 1 16 . 1 1 64 64 HIS CB C 64 29.814 29.814 29.704 0.109 25716 7884 1 16 . 1 1 64 64 HIS H H 64 8.132 8.132 7.784 0.348 25716 7885 1 16 . 1 1 65 65 ILE N N 65 118.536 118.536 121.614 -3.078 25716 7886 1 16 . 1 1 65 65 ILE HA H 65 4.165 4.165 4.121 0.044 25716 7887 1 16 . 1 1 65 65 ILE C C 65 172.049 172.049 175.442 -3.393 25716 7888 1 16 . 1 1 65 65 ILE CA C 65 60.576 60.576 61.215 -0.639 25716 7889 1 16 . 1 1 65 65 ILE CB C 65 35.561 35.561 36.025 -0.464 25716 7890 1 16 . 1 1 65 65 ILE H H 65 7.223 7.223 7.402 -0.179 25716 7891 1 16 . 1 1 66 66 THR N N 66 114.529 114.529 122.069 -7.540 25716 7892 1 16 . 1 1 66 66 THR HA H 66 4.635 4.635 4.610 0.025 25716 7893 1 16 . 1 1 66 66 THR C C 66 172.176 172.176 174.808 -2.632 25716 7894 1 16 . 1 1 66 66 THR CA C 66 59.827 59.827 60.853 -1.026 25716 7895 1 16 . 1 1 66 66 THR CB C 66 70.679 70.679 72.016 -1.337 25716 7896 1 16 . 1 1 66 66 THR H H 66 7.943 7.943 8.229 -0.286 25716 7897 1 16 . 1 1 67 67 GLY N N 67 109.454 109.454 110.541 -1.087 25716 7898 1 16 . 1 1 67 67 GLY C C 67 172.080 172.080 174.529 -2.449 25716 7899 1 16 . 1 1 67 67 GLY CA C 67 47.245 47.245 46.230 1.014 25716 7900 1 16 . 1 1 67 67 GLY H H 67 8.736 8.736 8.633 0.103 25716 7901 1 16 . 1 1 68 68 LYS N N 68 118.551 118.551 118.849 -0.298 25716 7902 1 16 . 1 1 68 68 LYS HA H 68 3.851 3.851 4.161 -0.310 25716 7903 1 16 . 1 1 68 68 LYS C C 68 174.455 174.455 176.440 -1.985 25716 7904 1 16 . 1 1 68 68 LYS CA C 68 58.697 58.697 57.504 1.193 25716 7905 1 16 . 1 1 68 68 LYS CB C 68 32.350 32.350 32.434 -0.084 25716 7906 1 16 . 1 1 68 68 LYS H H 68 7.968 7.968 8.117 -0.149 25716 7907 1 16 . 1 1 69 69 TYR N N 69 115.203 115.203 117.433 -2.230 25716 7908 1 16 . 1 1 69 69 TYR HA H 69 4.213 4.213 4.342 -0.129 25716 7909 1 16 . 1 1 69 69 TYR C C 69 171.772 171.772 177.881 -6.109 25716 7910 1 16 . 1 1 69 69 TYR CA C 69 59.212 59.212 60.226 -1.014 25716 7911 1 16 . 1 1 69 69 TYR CB C 69 38.555 38.555 39.279 -0.724 25716 7912 1 16 . 1 1 69 69 TYR H H 69 6.826 6.826 7.488 -0.662 25716 7913 1 16 . 1 1 70 70 PHE N N 70 112.140 112.140 116.056 -3.916 25716 7914 1 16 . 1 1 70 70 PHE HA H 70 4.629 4.629 4.644 -0.015 25716 7915 1 16 . 1 1 70 70 PHE C C 70 171.998 171.998 176.732 -4.734 25716 7916 1 16 . 1 1 70 70 PHE CA C 70 57.245 57.245 58.374 -1.129 25716 7917 1 16 . 1 1 70 70 PHE CB C 70 40.329 40.329 38.125 2.204 25716 7918 1 16 . 1 1 70 70 PHE H H 70 7.327 7.327 8.524 -1.197 25716 7919 1 16 . 1 1 71 71 LYS N N 71 113.603 113.603 120.837 -7.234 25716 7920 1 16 . 1 1 71 71 LYS HA H 71 3.875 3.875 4.055 -0.180 25716 7921 1 16 . 1 1 71 71 LYS C C 71 172.963 172.963 175.419 -2.456 25716 7922 1 16 . 1 1 71 71 LYS CA C 71 59.667 59.667 59.053 0.614 25716 7923 1 16 . 1 1 71 71 LYS CB C 71 33.074 33.074 32.914 0.160 25716 7924 1 16 . 1 1 71 71 LYS H H 71 6.925 6.925 8.252 -1.327 25716 7925 1 16 . 1 1 72 72 ASP N N 72 110.434 110.434 112.428 -1.994 25716 7926 1 16 . 1 1 72 72 ASP HA H 72 4.441 4.441 4.898 -0.457 25716 7927 1 16 . 1 1 72 72 ASP C C 72 172.750 172.750 175.693 -2.943 25716 7928 1 16 . 1 1 72 72 ASP CA C 72 52.378 52.378 52.404 -0.026 25716 7929 1 16 . 1 1 72 72 ASP CB C 72 42.426 42.426 44.011 -1.585 25716 7930 1 16 . 1 1 72 72 ASP H H 72 7.363 7.363 7.431 -0.068 25716 7931 1 16 . 1 1 73 73 LEU N N 73 120.273 120.273 119.167 1.106 25716 7932 1 16 . 1 1 73 73 LEU HA H 73 3.920 3.920 4.163 -0.243 25716 7933 1 16 . 1 1 73 73 LEU C C 73 176.648 176.648 177.887 -1.239 25716 7934 1 16 . 1 1 73 73 LEU CA C 73 58.120 58.120 56.362 1.758 25716 7935 1 16 . 1 1 73 73 LEU CB C 73 42.574 42.574 42.423 0.151 25716 7936 1 16 . 1 1 73 73 LEU H H 73 9.983 9.983 8.681 1.302 25716 7937 1 16 . 1 1 74 74 ASN N N 74 119.506 119.506 118.707 0.799 25716 7938 1 16 . 1 1 74 74 ASN HA H 74 4.405 4.405 4.513 -0.108 25716 7939 1 16 . 1 1 74 74 ASN C C 74 174.659 174.659 177.196 -2.537 25716 7940 1 16 . 1 1 74 74 ASN CA C 74 56.287 56.287 55.829 0.458 25716 7941 1 16 . 1 1 74 74 ASN CB C 74 37.579 37.579 38.060 -0.481 25716 7942 1 16 . 1 1 74 74 ASN H H 74 7.893 7.893 8.333 -0.440 25716 7943 1 16 . 1 1 75 75 ALA N N 75 125.068 125.068 122.655 2.413 25716 7944 1 16 . 1 1 75 75 ALA HA H 75 4.097 4.097 4.165 -0.068 25716 7945 1 16 . 1 1 75 75 ALA C C 75 177.809 177.809 179.472 -1.663 25716 7946 1 16 . 1 1 75 75 ALA CA C 75 55.365 55.365 54.469 0.896 25716 7947 1 16 . 1 1 75 75 ALA CB C 75 18.572 18.572 18.403 0.169 25716 7948 1 16 . 1 1 75 75 ALA H H 75 8.951 8.951 7.775 1.176 25716 7949 1 16 . 1 1 76 76 ILE N N 76 119.561 119.561 118.592 0.969 25716 7950 1 16 . 1 1 76 76 ILE HA H 76 3.615 3.615 3.354 0.261 25716 7951 1 16 . 1 1 76 76 ILE C C 76 175.344 175.344 177.446 -2.102 25716 7952 1 16 . 1 1 76 76 ILE CA C 76 65.272 65.272 64.696 0.576 25716 7953 1 16 . 1 1 76 76 ILE CB C 76 39.056 39.056 37.867 1.189 25716 7954 1 16 . 1 1 76 76 ILE H H 76 8.386 8.386 7.623 0.763 25716 7955 1 16 . 1 1 77 77 SER N N 77 114.090 114.090 116.467 -2.377 25716 7956 1 16 . 1 1 77 77 SER HA H 77 3.878 3.878 4.073 -0.195 25716 7957 1 16 . 1 1 77 77 SER C C 77 173.592 173.592 176.585 -2.993 25716 7958 1 16 . 1 1 77 77 SER CA C 77 62.733 62.733 61.786 0.947 25716 7959 1 16 . 1 1 77 77 SER CB C 77 62.864 62.864 63.089 -0.225 25716 7960 1 16 . 1 1 77 77 SER H H 77 8.250 8.250 8.000 0.250 25716 7961 1 16 . 1 1 78 78 ARG N N 78 121.670 121.670 120.566 1.104 25716 7962 1 16 . 1 1 78 78 ARG HA H 78 4.129 4.129 4.247 -0.118 25716 7963 1 16 . 1 1 78 78 ARG C C 78 176.111 176.111 178.580 -2.469 25716 7964 1 16 . 1 1 78 78 ARG CA C 78 59.328 59.328 59.187 0.141 25716 7965 1 16 . 1 1 78 78 ARG CB C 78 29.814 29.814 29.321 0.493 25716 7966 1 16 . 1 1 78 78 ARG H H 78 8.086 8.086 7.978 0.108 25716 7967 1 16 . 1 1 79 79 THR N N 79 118.928 118.928 114.278 4.650 25716 7968 1 16 . 1 1 79 79 THR HA H 79 4.525 4.525 4.189 0.336 25716 7969 1 16 . 1 1 79 79 THR C C 79 173.364 173.364 176.464 -3.100 25716 7970 1 16 . 1 1 79 79 THR CA C 79 68.289 68.289 65.586 2.703 25716 7971 1 16 . 1 1 79 79 THR CB C 79 67.268 67.268 68.502 -1.234 25716 7972 1 16 . 1 1 79 79 THR H H 79 8.351 8.351 7.484 0.867 25716 7973 1 16 . 1 1 80 80 VAL N N 80 120.643 120.643 121.773 -1.130 25716 7974 1 16 . 1 1 80 80 VAL HA H 80 3.339 3.339 3.637 -0.298 25716 7975 1 16 . 1 1 80 80 VAL C C 80 174.438 174.438 177.714 -3.276 25716 7976 1 16 . 1 1 80 80 VAL CA C 80 67.603 67.603 66.722 0.881 25716 7977 1 16 . 1 1 80 80 VAL CB C 80 31.532 31.532 31.555 -0.023 25716 7978 1 16 . 1 1 80 80 VAL H H 80 8.242 8.242 7.787 0.455 25716 7979 1 16 . 1 1 81 81 GLU N N 81 118.067 118.067 119.203 -1.136 25716 7980 1 16 . 1 1 81 81 GLU HA H 81 3.943 3.943 3.901 0.042 25716 7981 1 16 . 1 1 81 81 GLU C C 81 176.961 176.961 178.978 -2.017 25716 7982 1 16 . 1 1 81 81 GLU CA C 81 59.974 59.974 59.650 0.324 25716 7983 1 16 . 1 1 81 81 GLU CB C 81 29.817 29.817 29.301 0.516 25716 7984 1 16 . 1 1 81 81 GLU H H 81 8.296 8.296 8.357 -0.061 25716 7985 1 16 . 1 1 82 82 GLN N N 82 119.947 119.947 120.186 -0.239 25716 7986 1 16 . 1 1 82 82 GLN HA H 82 4.110 4.110 4.115 -0.005 25716 7987 1 16 . 1 1 82 82 GLN C C 82 176.023 176.023 178.176 -2.153 25716 7988 1 16 . 1 1 82 82 GLN CA C 82 58.991 58.991 58.486 0.505 25716 7989 1 16 . 1 1 82 82 GLN CB C 82 28.136 28.136 28.280 -0.144 25716 7990 1 16 . 1 1 82 82 GLN H H 82 8.444 8.444 7.627 0.817 25716 7991 1 16 . 1 1 83 83 LEU N N 83 119.916 119.916 119.502 0.414 25716 7992 1 16 . 1 1 83 83 LEU HA H 83 4.075 4.075 4.062 0.013 25716 7993 1 16 . 1 1 83 83 LEU C C 83 177.753 177.753 179.119 -1.366 25716 7994 1 16 . 1 1 83 83 LEU CA C 83 57.453 57.453 57.964 -0.511 25716 7995 1 16 . 1 1 83 83 LEU CB C 83 41.673 41.673 41.445 0.228 25716 7996 1 16 . 1 1 83 83 LEU H H 83 8.149 8.149 8.417 -0.268 25716 7997 1 16 . 1 1 84 84 LYS N N 84 121.059 121.059 119.873 1.186 25716 7998 1 16 . 1 1 84 84 LYS HA H 84 3.951 3.951 4.014 -0.063 25716 7999 1 16 . 1 1 84 84 LYS C C 84 176.055 176.055 178.649 -2.594 25716 8000 1 16 . 1 1 84 84 LYS CA C 84 59.328 59.328 59.335 -0.007 25716 8001 1 16 . 1 1 84 84 LYS CB C 84 32.291 32.291 32.279 0.012 25716 8002 1 16 . 1 1 84 84 LYS H H 84 8.373 8.373 8.092 0.281 25716 8003 1 16 . 1 1 85 85 ALA N N 85 122.134 122.134 122.404 -0.270 25716 8004 1 16 . 1 1 85 85 ALA HA H 85 4.188 4.188 4.114 0.074 25716 8005 1 16 . 1 1 85 85 ALA C C 85 177.240 177.240 179.951 -2.711 25716 8006 1 16 . 1 1 85 85 ALA CA C 85 54.423 54.423 55.158 -0.736 25716 8007 1 16 . 1 1 85 85 ALA CB C 85 18.193 18.193 18.171 0.022 25716 8008 1 16 . 1 1 85 85 ALA H H 85 7.854 7.854 7.639 0.215 25716 8009 1 16 . 1 1 86 86 GLU N N 86 117.813 117.813 117.900 -0.087 25716 8010 1 16 . 1 1 86 86 GLU HA H 86 4.115 4.115 4.067 0.048 25716 8011 1 16 . 1 1 86 86 GLU C C 86 175.547 175.547 179.114 -3.567 25716 8012 1 16 . 1 1 86 86 GLU CA C 86 58.199 58.199 58.866 -0.667 25716 8013 1 16 . 1 1 86 86 GLU CB C 86 29.841 29.841 29.210 0.631 25716 8014 1 16 . 1 1 86 86 GLU H H 86 8.059 8.059 8.252 -0.193 25716 8015 1 16 . 1 1 87 87 SER N N 87 114.771 114.771 114.577 0.194 25716 8016 1 16 . 1 1 87 87 SER HA H 87 4.362 4.362 4.307 0.055 25716 8017 1 16 . 1 1 87 87 SER C C 87 172.405 172.405 175.716 -3.311 25716 8018 1 16 . 1 1 87 87 SER CA C 87 59.806 59.806 60.365 -0.559 25716 8019 1 16 . 1 1 87 87 SER CB C 87 63.528 63.528 62.989 0.539 25716 8020 1 16 . 1 1 87 87 SER H H 87 7.908 7.908 7.900 0.008 25716 8021 1 16 . 1 1 88 88 ALA N N 88 124.277 124.277 122.857 1.420 25716 8022 1 16 . 1 1 88 88 ALA HA H 88 4.284 4.284 4.234 0.050 25716 8023 1 16 . 1 1 88 88 ALA C C 88 175.489 175.489 178.790 -3.301 25716 8024 1 16 . 1 1 88 88 ALA CA C 88 53.087 53.087 54.006 -0.919 25716 8025 1 16 . 1 1 88 88 ALA CB C 88 18.792 18.792 19.032 -0.239 25716 8026 1 16 . 1 1 88 88 ALA H H 88 7.812 7.812 7.550 0.262 25716 8027 1 16 . 1 1 89 89 LEU N N 89 119.411 119.411 118.091 1.320 25716 8028 1 16 . 1 1 89 89 LEU HA H 89 4.219 4.219 4.199 0.020 25716 8029 1 16 . 1 1 89 89 LEU C C 89 175.025 175.025 177.885 -2.860 25716 8030 1 16 . 1 1 89 89 LEU CA C 89 55.608 55.608 56.345 -0.737 25716 8031 1 16 . 1 1 89 89 LEU CB C 89 42.213 42.213 42.503 -0.290 25716 8032 1 16 . 1 1 89 89 LEU H H 89 7.769 7.769 7.844 -0.075 25716 8033 1 17 . 1 1 2 2 ASP HA H 2 4.704 4.704 4.940 -0.236 25716 8034 1 17 . 1 1 2 2 ASP C C 2 173.822 173.822 176.140 -2.318 25716 8035 1 17 . 1 1 2 2 ASP CA C 2 54.130 54.130 53.835 0.295 25716 8036 1 17 . 1 1 2 2 ASP CB C 2 41.601 41.601 43.068 -1.467 25716 8037 1 17 . 1 1 3 3 GLY N N 3 109.376 109.376 110.703 -1.327 25716 8038 1 17 . 1 1 3 3 GLY C C 3 172.786 172.786 175.396 -2.610 25716 8039 1 17 . 1 1 3 3 GLY CA C 3 46.704 46.704 46.822 -0.118 25716 8040 1 17 . 1 1 3 3 GLY H H 3 8.712 8.712 8.761 -0.049 25716 8041 1 17 . 1 1 4 4 GLU N N 4 120.623 120.623 120.498 0.125 25716 8042 1 17 . 1 1 4 4 GLU HA H 4 4.207 4.207 3.976 0.231 25716 8043 1 17 . 1 1 4 4 GLU C C 4 175.198 175.198 178.310 -3.112 25716 8044 1 17 . 1 1 4 4 GLU CA C 4 58.159 58.159 59.187 -1.028 25716 8045 1 17 . 1 1 4 4 GLU CB C 4 29.793 29.793 28.603 1.190 25716 8046 1 17 . 1 1 4 4 GLU H H 4 8.280 8.280 8.602 -0.322 25716 8047 1 17 . 1 1 5 5 GLU N N 5 121.684 121.684 119.046 2.638 25716 8048 1 17 . 1 1 5 5 GLU HA H 5 4.173 4.173 4.138 0.035 25716 8049 1 17 . 1 1 5 5 GLU C C 5 175.720 175.720 178.994 -3.274 25716 8050 1 17 . 1 1 5 5 GLU CA C 5 58.648 58.648 58.924 -0.276 25716 8051 1 17 . 1 1 5 5 GLU CB C 5 29.819 29.819 29.435 0.384 25716 8052 1 17 . 1 1 5 5 GLU H H 5 8.254 8.254 8.418 -0.164 25716 8053 1 17 . 1 1 6 6 VAL N N 6 120.195 120.195 120.046 0.149 25716 8054 1 17 . 1 1 6 6 VAL HA H 6 3.594 3.594 3.553 0.041 25716 8055 1 17 . 1 1 6 6 VAL C C 6 174.638 174.638 178.021 -3.383 25716 8056 1 17 . 1 1 6 6 VAL CA C 6 66.621 66.621 67.046 -0.425 25716 8057 1 17 . 1 1 6 6 VAL CB C 6 32.041 32.041 31.608 0.433 25716 8058 1 17 . 1 1 6 6 VAL H H 6 8.137 8.137 7.728 0.409 25716 8059 1 17 . 1 1 7 7 LYS N N 7 118.688 118.688 119.628 -0.940 25716 8060 1 17 . 1 1 7 7 LYS HA H 7 3.776 3.776 4.013 -0.237 25716 8061 1 17 . 1 1 7 7 LYS C C 7 175.192 175.192 178.703 -3.511 25716 8062 1 17 . 1 1 7 7 LYS CA C 7 60.903 60.903 59.918 0.985 25716 8063 1 17 . 1 1 7 7 LYS CB C 7 32.251 32.251 32.104 0.147 25716 8064 1 17 . 1 1 7 7 LYS H H 7 8.099 8.099 7.504 0.595 25716 8065 1 17 . 1 1 8 8 GLU N N 8 117.138 117.138 118.707 -1.569 25716 8066 1 17 . 1 1 8 8 GLU HA H 8 4.188 4.188 4.115 0.073 25716 8067 1 17 . 1 1 8 8 GLU C C 8 176.405 176.405 179.348 -2.943 25716 8068 1 17 . 1 1 8 8 GLU CA C 8 58.635 58.635 59.015 -0.380 25716 8069 1 17 . 1 1 8 8 GLU CB C 8 29.149 29.149 28.800 0.349 25716 8070 1 17 . 1 1 8 8 GLU H H 8 7.875 7.875 8.121 -0.246 25716 8071 1 17 . 1 1 9 9 LYS N N 9 119.639 119.639 120.443 -0.804 25716 8072 1 17 . 1 1 9 9 LYS HA H 9 4.072 4.072 4.249 -0.177 25716 8073 1 17 . 1 1 9 9 LYS C C 9 177.376 177.376 178.865 -1.489 25716 8074 1 17 . 1 1 9 9 LYS CA C 9 59.994 59.994 59.669 0.325 25716 8075 1 17 . 1 1 9 9 LYS CB C 9 32.471 32.471 32.778 -0.307 25716 8076 1 17 . 1 1 9 9 LYS H H 9 8.102 8.102 8.061 0.041 25716 8077 1 17 . 1 1 10 10 ILE N N 10 119.456 119.456 119.532 -0.076 25716 8078 1 17 . 1 1 10 10 ILE HA H 10 3.713 3.713 3.771 -0.058 25716 8079 1 17 . 1 1 10 10 ILE C C 10 174.153 174.153 177.751 -3.598 25716 8080 1 17 . 1 1 10 10 ILE CA C 10 65.549 65.549 65.549 -0.000 25716 8081 1 17 . 1 1 10 10 ILE CB C 10 37.522 37.522 38.058 -0.536 25716 8082 1 17 . 1 1 10 10 ILE H H 10 8.210 8.210 7.794 0.416 25716 8083 1 17 . 1 1 11 11 ARG N N 11 121.172 121.172 118.692 2.480 25716 8084 1 17 . 1 1 11 11 ARG HA H 11 3.608 3.608 4.057 -0.449 25716 8085 1 17 . 1 1 11 11 ARG C C 11 174.925 174.925 178.228 -3.303 25716 8086 1 17 . 1 1 11 11 ARG CA C 11 60.617 60.617 58.621 1.996 25716 8087 1 17 . 1 1 11 11 ARG CB C 11 30.480 30.480 29.204 1.276 25716 8088 1 17 . 1 1 11 11 ARG H H 11 8.851 8.851 8.307 0.544 25716 8089 1 17 . 1 1 12 12 ARG N N 12 116.578 116.578 120.328 -3.750 25716 8090 1 17 . 1 1 12 12 ARG HA H 12 3.935 3.935 4.076 -0.141 25716 8091 1 17 . 1 1 12 12 ARG C C 12 174.817 174.817 178.328 -3.511 25716 8092 1 17 . 1 1 12 12 ARG CA C 12 59.162 59.162 58.935 0.227 25716 8093 1 17 . 1 1 12 12 ARG CB C 12 29.476 29.476 29.530 -0.054 25716 8094 1 17 . 1 1 12 12 ARG H H 12 8.126 8.126 7.541 0.585 25716 8095 1 17 . 1 1 13 13 TYR N N 13 119.994 119.994 120.330 -0.336 25716 8096 1 17 . 1 1 13 13 TYR HA H 13 4.047 4.047 4.124 -0.077 25716 8097 1 17 . 1 1 13 13 TYR C C 13 175.273 175.273 177.905 -2.632 25716 8098 1 17 . 1 1 13 13 TYR CA C 13 61.856 61.856 60.916 0.940 25716 8099 1 17 . 1 1 13 13 TYR CB C 13 38.459 38.459 37.695 0.764 25716 8100 1 17 . 1 1 13 13 TYR H H 13 7.758 7.758 7.734 0.024 25716 8101 1 17 . 1 1 14 14 ILE N N 14 117.754 117.754 119.302 -1.548 25716 8102 1 17 . 1 1 14 14 ILE HA H 14 3.239 3.239 3.453 -0.214 25716 8103 1 17 . 1 1 14 14 ILE C C 14 175.425 175.425 177.210 -1.785 25716 8104 1 17 . 1 1 14 14 ILE CA C 14 65.826 65.826 65.260 0.566 25716 8105 1 17 . 1 1 14 14 ILE CB C 14 37.782 37.782 37.681 0.101 25716 8106 1 17 . 1 1 14 14 ILE H H 14 8.464 8.464 7.582 0.882 25716 8107 1 17 . 1 1 15 15 MET N N 15 116.173 116.173 117.571 -1.398 25716 8108 1 17 . 1 1 15 15 MET HA H 15 3.939 3.939 4.142 -0.203 25716 8109 1 17 . 1 1 15 15 MET C C 15 174.676 174.676 177.973 -3.297 25716 8110 1 17 . 1 1 15 15 MET CA C 15 59.276 59.276 58.947 0.329 25716 8111 1 17 . 1 1 15 15 MET CB C 15 32.885 32.885 32.459 0.426 25716 8112 1 17 . 1 1 15 15 MET H H 15 8.265 8.265 7.566 0.699 25716 8113 1 17 . 1 1 16 16 GLU N N 16 116.398 116.398 118.009 -1.611 25716 8114 1 17 . 1 1 16 16 GLU HA H 16 3.980 3.980 4.073 -0.093 25716 8115 1 17 . 1 1 16 16 GLU C C 16 175.158 175.158 178.192 -3.034 25716 8116 1 17 . 1 1 16 16 GLU CA C 16 58.767 58.767 58.439 0.328 25716 8117 1 17 . 1 1 16 16 GLU CB C 16 30.078 30.078 29.699 0.379 25716 8118 1 17 . 1 1 16 16 GLU H H 16 8.619 8.619 7.924 0.695 25716 8119 1 17 . 1 1 17 17 ASP N N 17 116.973 116.973 117.734 -0.761 25716 8120 1 17 . 1 1 17 17 ASP HA H 17 4.591 4.591 4.592 -0.001 25716 8121 1 17 . 1 1 17 17 ASP C C 17 174.240 174.240 178.452 -4.212 25716 8122 1 17 . 1 1 17 17 ASP CA C 17 55.438 55.438 55.264 0.174 25716 8123 1 17 . 1 1 17 17 ASP CB C 17 42.657 42.657 41.908 0.749 25716 8124 1 17 . 1 1 17 17 ASP H H 17 8.119 8.119 7.641 0.478 25716 8125 1 17 . 1 1 18 18 LEU N N 18 115.667 115.667 119.859 -4.192 25716 8126 1 17 . 1 1 18 18 LEU HA H 18 4.488 4.488 4.056 0.432 25716 8127 1 17 . 1 1 18 18 LEU C C 18 175.062 175.062 177.836 -2.774 25716 8128 1 17 . 1 1 18 18 LEU CA C 18 56.075 56.075 57.462 -1.387 25716 8129 1 17 . 1 1 18 18 LEU CB C 18 41.096 41.096 42.532 -1.436 25716 8130 1 17 . 1 1 18 18 LEU H H 18 7.162 7.162 7.187 -0.025 25716 8131 1 17 . 1 1 19 19 ILE N N 19 120.763 120.763 115.148 5.615 25716 8132 1 17 . 1 1 19 19 ILE HA H 19 3.979 3.979 4.344 -0.365 25716 8133 1 17 . 1 1 19 19 ILE C C 19 174.557 174.557 175.848 -1.291 25716 8134 1 17 . 1 1 19 19 ILE CA C 19 63.809 63.809 60.706 3.103 25716 8135 1 17 . 1 1 19 19 ILE CB C 19 38.044 38.044 40.943 -2.898 25716 8136 1 17 . 1 1 19 19 ILE H H 19 8.017 8.017 7.731 0.286 25716 8137 1 17 . 1 1 20 20 GLY N N 20 108.619 108.619 109.711 -1.092 25716 8138 1 17 . 1 1 20 20 GLY CA C 20 44.560 44.560 45.093 -0.533 25716 8139 1 17 . 1 1 20 20 GLY H H 20 8.126 8.126 8.493 -0.367 25716 8140 1 17 . 1 1 21 21 PRO HA H 21 4.385 4.385 4.525 -0.140 25716 8141 1 17 . 1 1 21 21 PRO C C 21 174.855 174.855 176.973 -2.118 25716 8142 1 17 . 1 1 21 21 PRO CA C 21 64.406 64.406 63.821 0.585 25716 8143 1 17 . 1 1 21 21 PRO CB C 21 32.027 32.027 31.939 0.088 25716 8144 1 17 . 1 1 22 22 SER N N 22 114.165 114.165 112.845 1.320 25716 8145 1 17 . 1 1 22 22 SER HA H 22 4.394 4.394 4.354 0.040 25716 8146 1 17 . 1 1 22 22 SER C C 22 171.708 171.708 174.502 -2.794 25716 8147 1 17 . 1 1 22 22 SER CA C 22 58.871 58.871 58.390 0.481 25716 8148 1 17 . 1 1 22 22 SER CB C 22 63.473 63.473 63.043 0.430 25716 8149 1 17 . 1 1 22 22 SER H H 22 8.279 8.279 8.020 0.259 25716 8150 1 17 . 1 1 23 23 ALA N N 23 125.151 125.151 125.415 -0.264 25716 8151 1 17 . 1 1 23 23 ALA HA H 23 4.250 4.250 4.551 -0.301 25716 8152 1 17 . 1 1 23 23 ALA C C 23 174.903 174.903 175.779 -0.876 25716 8153 1 17 . 1 1 23 23 ALA CA C 23 52.851 52.851 50.847 2.004 25716 8154 1 17 . 1 1 23 23 ALA CB C 23 19.376 19.376 18.721 0.655 25716 8155 1 17 . 1 1 23 23 ALA H H 23 8.040 8.040 7.281 0.759 25716 8156 1 17 . 1 1 24 24 LYS N N 24 120.823 120.823 122.269 -1.446 25716 8157 1 17 . 1 1 24 24 LYS HA H 24 4.346 4.346 4.194 0.152 25716 8158 1 17 . 1 1 24 24 LYS C C 24 174.522 174.522 178.237 -3.715 25716 8159 1 17 . 1 1 24 24 LYS CA C 24 55.938 55.938 55.712 0.226 25716 8160 1 17 . 1 1 24 24 LYS CB C 24 33.187 33.187 33.294 -0.107 25716 8161 1 17 . 1 1 24 24 LYS H H 24 8.306 8.306 7.858 0.448 25716 8162 1 17 . 1 1 25 25 GLU N N 25 121.186 121.186 121.121 0.065 25716 8163 1 17 . 1 1 25 25 GLU HA H 25 4.114 4.114 4.061 0.053 25716 8164 1 17 . 1 1 25 25 GLU C C 25 173.808 173.808 176.374 -2.566 25716 8165 1 17 . 1 1 25 25 GLU CA C 25 58.023 58.023 59.204 -1.181 25716 8166 1 17 . 1 1 25 25 GLU CB C 25 29.769 29.769 29.623 0.146 25716 8167 1 17 . 1 1 25 25 GLU H H 25 8.569 8.569 8.830 -0.261 25716 8168 1 17 . 1 1 26 26 ASP N N 26 117.111 117.111 114.759 2.352 25716 8169 1 17 . 1 1 26 26 ASP HA H 26 4.569 4.569 4.733 -0.164 25716 8170 1 17 . 1 1 26 26 ASP C C 26 173.265 173.265 175.888 -2.623 25716 8171 1 17 . 1 1 26 26 ASP CA C 26 54.061 54.061 53.791 0.270 25716 8172 1 17 . 1 1 26 26 ASP CB C 26 40.742 40.742 41.217 -0.475 25716 8173 1 17 . 1 1 26 26 ASP H H 26 8.139 8.139 8.121 0.018 25716 8174 1 17 . 1 1 27 27 GLU N N 27 118.932 118.932 119.333 -0.401 25716 8175 1 17 . 1 1 27 27 GLU HA H 27 4.239 4.239 4.527 -0.288 25716 8176 1 17 . 1 1 27 27 GLU C C 27 172.838 172.838 177.106 -4.268 25716 8177 1 17 . 1 1 27 27 GLU CA C 27 56.645 56.645 57.395 -0.750 25716 8178 1 17 . 1 1 27 27 GLU CB C 27 30.703 30.703 30.616 0.087 25716 8179 1 17 . 1 1 27 27 GLU H H 27 7.859 7.859 7.977 -0.118 25716 8180 1 17 . 1 1 28 28 LEU N N 28 121.726 121.726 121.261 0.465 25716 8181 1 17 . 1 1 28 28 LEU HA H 28 4.570 4.570 4.315 0.255 25716 8182 1 17 . 1 1 28 28 LEU C C 28 172.438 172.438 175.637 -3.199 25716 8183 1 17 . 1 1 28 28 LEU CA C 28 54.503 54.503 54.557 -0.054 25716 8184 1 17 . 1 1 28 28 LEU CB C 28 43.342 43.342 40.839 2.503 25716 8185 1 17 . 1 1 28 28 LEU H H 28 7.671 7.671 7.903 -0.232 25716 8186 1 17 . 1 1 29 29 ASP N N 29 126.685 126.685 123.673 3.012 25716 8187 1 17 . 1 1 29 29 ASP HA H 29 4.822 4.822 4.718 0.104 25716 8188 1 17 . 1 1 29 29 ASP C C 29 173.732 173.732 175.541 -1.809 25716 8189 1 17 . 1 1 29 29 ASP CA C 29 52.855 52.855 52.873 -0.018 25716 8190 1 17 . 1 1 29 29 ASP CB C 29 43.124 43.124 44.848 -1.724 25716 8191 1 17 . 1 1 29 29 ASP H H 29 8.950 8.950 7.919 1.031 25716 8192 1 17 . 1 1 30 30 ASP N N 30 120.317 120.317 118.314 2.003 25716 8193 1 17 . 1 1 30 30 ASP HA H 30 4.247 4.247 4.392 -0.145 25716 8194 1 17 . 1 1 30 30 ASP C C 30 172.143 172.143 176.404 -4.261 25716 8195 1 17 . 1 1 30 30 ASP CA C 30 57.352 57.352 56.938 0.414 25716 8196 1 17 . 1 1 30 30 ASP CB C 30 40.160 40.160 40.922 -0.762 25716 8197 1 17 . 1 1 30 30 ASP H H 30 8.500 8.500 8.604 -0.104 25716 8198 1 17 . 1 1 31 31 GLN N N 31 111.109 111.109 117.315 -6.206 25716 8199 1 17 . 1 1 31 31 GLN HA H 31 4.590 4.590 4.429 0.161 25716 8200 1 17 . 1 1 31 31 GLN C C 31 174.343 174.343 175.190 -0.847 25716 8201 1 17 . 1 1 31 31 GLN CA C 31 54.437 54.437 55.017 -0.580 25716 8202 1 17 . 1 1 31 31 GLN CB C 31 30.038 30.038 29.816 0.222 25716 8203 1 17 . 1 1 31 31 GLN H H 31 8.234 8.234 7.681 0.553 25716 8204 1 17 . 1 1 32 32 THR N N 32 123.333 123.333 118.932 4.401 25716 8205 1 17 . 1 1 32 32 THR HA H 32 3.856 3.856 4.138 -0.282 25716 8206 1 17 . 1 1 32 32 THR CA C 32 62.805 62.805 61.919 0.886 25716 8207 1 17 . 1 1 32 32 THR CB C 32 69.907 69.907 68.725 1.182 25716 8208 1 17 . 1 1 32 32 THR H H 32 7.663 7.663 7.243 0.420 25716 8209 1 17 . 1 1 33 33 PRO HA H 33 4.823 4.823 4.632 0.191 25716 8210 1 17 . 1 1 33 33 PRO C C 33 172.190 172.190 176.729 -4.539 25716 8211 1 17 . 1 1 33 33 PRO CA C 33 61.670 61.670 62.443 -0.773 25716 8212 1 17 . 1 1 33 33 PRO CB C 33 29.880 29.880 31.579 -1.699 25716 8213 1 17 . 1 1 34 34 LEU N N 34 126.562 126.562 125.720 0.842 25716 8214 1 17 . 1 1 34 34 LEU HA H 34 3.820 3.820 3.812 0.008 25716 8215 1 17 . 1 1 34 34 LEU C C 34 176.590 176.590 178.450 -1.860 25716 8216 1 17 . 1 1 34 34 LEU CA C 34 57.808 57.808 58.562 -0.754 25716 8217 1 17 . 1 1 34 34 LEU CB C 34 42.569 42.569 41.749 0.820 25716 8218 1 17 . 1 1 34 34 LEU H H 34 7.988 7.988 8.264 -0.277 25716 8219 1 17 . 1 1 35 35 LEU N N 35 117.687 117.687 117.679 0.008 25716 8220 1 17 . 1 1 35 35 LEU HA H 35 4.539 4.539 4.029 0.510 25716 8221 1 17 . 1 1 35 35 LEU C C 35 178.411 178.411 179.466 -1.055 25716 8222 1 17 . 1 1 35 35 LEU CA C 35 56.531 56.531 57.281 -0.750 25716 8223 1 17 . 1 1 35 35 LEU CB C 35 41.338 41.338 41.620 -0.282 25716 8224 1 17 . 1 1 35 35 LEU H H 35 8.184 8.184 7.325 0.859 25716 8225 1 17 . 1 1 36 36 GLU N N 36 121.488 121.488 119.832 1.656 25716 8226 1 17 . 1 1 36 36 GLU HA H 36 4.118 4.118 4.179 -0.061 25716 8227 1 17 . 1 1 36 36 GLU C C 36 175.984 175.984 178.165 -2.181 25716 8228 1 17 . 1 1 36 36 GLU CA C 36 59.264 59.264 59.001 0.263 25716 8229 1 17 . 1 1 36 36 GLU CB C 36 29.608 29.608 29.317 0.291 25716 8230 1 17 . 1 1 36 36 GLU H H 36 7.857 7.857 8.137 -0.280 25716 8231 1 17 . 1 1 37 37 TRP N N 37 115.319 115.319 117.884 -2.565 25716 8232 1 17 . 1 1 37 37 TRP HA H 37 4.950 4.950 4.688 0.262 25716 8233 1 17 . 1 1 37 37 TRP C C 37 174.270 174.270 177.180 -2.910 25716 8234 1 17 . 1 1 37 37 TRP CA C 37 56.075 56.075 57.790 -1.715 25716 8235 1 17 . 1 1 37 37 TRP CB C 37 29.050 29.050 29.532 -0.482 25716 8236 1 17 . 1 1 37 37 TRP H H 37 8.180 8.180 7.749 0.431 25716 8237 1 17 . 1 1 38 38 GLY N N 38 106.793 106.793 107.111 -0.318 25716 8238 1 17 . 1 1 38 38 GLY C C 38 171.784 171.784 175.339 -3.555 25716 8239 1 17 . 1 1 38 38 GLY CA C 38 46.275 46.275 45.993 0.282 25716 8240 1 17 . 1 1 38 38 GLY H H 38 7.704 7.704 7.632 0.072 25716 8241 1 17 . 1 1 39 39 ILE N N 39 120.597 120.597 113.290 7.307 25716 8242 1 17 . 1 1 39 39 ILE HA H 39 3.753 3.753 4.196 -0.443 25716 8243 1 17 . 1 1 39 39 ILE C C 39 174.148 174.148 175.686 -1.538 25716 8244 1 17 . 1 1 39 39 ILE CA C 39 63.934 63.934 62.237 1.697 25716 8245 1 17 . 1 1 39 39 ILE CB C 39 38.673 38.673 38.511 0.161 25716 8246 1 17 . 1 1 39 39 ILE H H 39 7.697 7.697 7.455 0.242 25716 8247 1 17 . 1 1 40 40 LEU N N 40 115.102 115.102 121.429 -6.327 25716 8248 1 17 . 1 1 40 40 LEU HA H 40 4.934 4.934 4.423 0.511 25716 8249 1 17 . 1 1 40 40 LEU C C 40 172.286 172.286 175.996 -3.710 25716 8250 1 17 . 1 1 40 40 LEU CA C 40 52.249 52.249 53.468 -1.219 25716 8251 1 17 . 1 1 40 40 LEU CB C 40 43.454 43.454 40.548 2.906 25716 8252 1 17 . 1 1 40 40 LEU H H 40 7.307 7.307 7.729 -0.422 25716 8253 1 17 . 1 1 41 41 ASN N N 41 117.306 117.306 121.108 -3.802 25716 8254 1 17 . 1 1 41 41 ASN HA H 41 4.589 4.589 4.651 -0.062 25716 8255 1 17 . 1 1 41 41 ASN C C 41 171.807 171.807 175.799 -3.992 25716 8256 1 17 . 1 1 41 41 ASN CA C 41 52.017 52.017 53.636 -1.619 25716 8257 1 17 . 1 1 41 41 ASN CB C 41 39.872 39.872 41.363 -1.491 25716 8258 1 17 . 1 1 41 41 ASN H H 41 8.466 8.466 8.023 0.443 25716 8259 1 17 . 1 1 42 42 SER N N 42 113.236 113.236 117.643 -4.407 25716 8260 1 17 . 1 1 42 42 SER HA H 42 4.116 4.116 4.308 -0.192 25716 8261 1 17 . 1 1 42 42 SER C C 42 171.631 171.631 176.493 -4.862 25716 8262 1 17 . 1 1 42 42 SER CA C 42 60.951 60.951 60.725 0.226 25716 8263 1 17 . 1 1 42 42 SER CB C 42 65.868 65.868 63.028 2.840 25716 8264 1 17 . 1 1 42 42 SER H H 42 9.138 9.138 8.674 0.464 25716 8265 1 17 . 1 1 43 43 MET N N 43 118.797 118.797 118.566 0.231 25716 8266 1 17 . 1 1 43 43 MET HA H 43 4.467 4.467 4.339 0.128 25716 8267 1 17 . 1 1 43 43 MET CA C 43 57.429 57.429 56.458 0.971 25716 8268 1 17 . 1 1 43 43 MET CB C 43 32.494 32.494 31.642 0.852 25716 8269 1 17 . 1 1 43 43 MET H H 43 8.292 8.292 8.527 -0.235 25716 8270 1 17 . 1 1 44 44 ASN N N 44 117.701 117.701 117.475 0.226 25716 8271 1 17 . 1 1 44 44 ASN HA H 44 4.686 4.686 4.626 0.060 25716 8272 1 17 . 1 1 44 44 ASN C C 44 175.889 175.889 177.225 -1.336 25716 8273 1 17 . 1 1 44 44 ASN CA C 44 53.826 53.826 55.509 -1.683 25716 8274 1 17 . 1 1 44 44 ASN CB C 44 38.484 38.484 39.110 -0.626 25716 8275 1 17 . 1 1 44 44 ASN H H 44 8.299 8.299 7.827 0.472 25716 8276 1 17 . 1 1 45 45 ILE N N 45 122.124 122.124 121.099 1.025 25716 8277 1 17 . 1 1 45 45 ILE HA H 45 3.783 3.783 3.759 0.024 25716 8278 1 17 . 1 1 45 45 ILE C C 45 174.370 174.370 177.146 -2.776 25716 8279 1 17 . 1 1 45 45 ILE CA C 45 64.892 64.892 63.324 1.568 25716 8280 1 17 . 1 1 45 45 ILE CB C 45 37.778 37.778 38.003 -0.225 25716 8281 1 17 . 1 1 45 45 ILE H H 45 8.417 8.417 7.892 0.525 25716 8282 1 17 . 1 1 46 46 VAL N N 46 120.176 120.176 115.716 4.460 25716 8283 1 17 . 1 1 46 46 VAL HA H 46 3.714 3.714 3.594 0.120 25716 8284 1 17 . 1 1 46 46 VAL C C 46 175.129 175.129 177.264 -2.135 25716 8285 1 17 . 1 1 46 46 VAL CA C 46 66.227 66.227 66.262 -0.035 25716 8286 1 17 . 1 1 46 46 VAL CB C 46 31.294 31.294 31.241 0.053 25716 8287 1 17 . 1 1 46 46 VAL H H 46 7.394 7.394 7.559 -0.165 25716 8288 1 17 . 1 1 47 47 LYS N N 47 118.640 118.640 119.778 -1.138 25716 8289 1 17 . 1 1 47 47 LYS HA H 47 4.005 4.005 4.192 -0.187 25716 8290 1 17 . 1 1 47 47 LYS CA C 47 60.033 60.033 59.369 0.664 25716 8291 1 17 . 1 1 47 47 LYS CB C 47 32.093 32.093 32.022 0.071 25716 8292 1 17 . 1 1 47 47 LYS H H 47 7.221 7.221 7.496 -0.275 25716 8293 1 17 . 1 1 48 48 LEU N N 48 119.812 119.812 120.319 -0.507 25716 8294 1 17 . 1 1 48 48 LEU HA H 48 4.261 4.261 4.096 0.165 25716 8295 1 17 . 1 1 48 48 LEU C C 48 175.105 175.105 178.803 -3.698 25716 8296 1 17 . 1 1 48 48 LEU CA C 48 57.717 57.717 58.265 -0.548 25716 8297 1 17 . 1 1 48 48 LEU CB C 48 41.683 41.683 41.842 -0.159 25716 8298 1 17 . 1 1 48 48 LEU H H 48 7.812 7.812 7.509 0.303 25716 8299 1 17 . 1 1 49 49 MET N N 49 118.031 118.031 117.488 0.543 25716 8300 1 17 . 1 1 49 49 MET HA H 49 3.919 3.919 4.190 -0.271 25716 8301 1 17 . 1 1 49 49 MET C C 49 176.673 176.673 178.929 -2.256 25716 8302 1 17 . 1 1 49 49 MET CA C 49 60.304 60.304 59.539 0.765 25716 8303 1 17 . 1 1 49 49 MET CB C 49 33.071 33.071 32.694 0.377 25716 8304 1 17 . 1 1 49 49 MET H H 49 8.583 8.583 7.762 0.821 25716 8305 1 17 . 1 1 50 50 VAL N N 50 122.370 122.370 116.319 6.051 25716 8306 1 17 . 1 1 50 50 VAL HA H 50 3.497 3.497 3.859 -0.362 25716 8307 1 17 . 1 1 50 50 VAL C C 50 173.639 173.639 177.227 -3.588 25716 8308 1 17 . 1 1 50 50 VAL CA C 50 67.182 67.182 64.949 2.233 25716 8309 1 17 . 1 1 50 50 VAL CB C 50 31.551 31.551 30.770 0.780 25716 8310 1 17 . 1 1 50 50 VAL H H 50 8.246 8.246 7.945 0.301 25716 8311 1 17 . 1 1 51 51 TYR N N 51 121.444 121.444 122.365 -0.921 25716 8312 1 17 . 1 1 51 51 TYR HA H 51 4.110 4.110 3.955 0.155 25716 8313 1 17 . 1 1 51 51 TYR C C 51 174.688 174.688 177.253 -2.565 25716 8314 1 17 . 1 1 51 51 TYR CA C 51 61.795 61.795 62.117 -0.322 25716 8315 1 17 . 1 1 51 51 TYR CB C 51 38.036 38.036 38.477 -0.441 25716 8316 1 17 . 1 1 51 51 TYR H H 51 7.774 7.774 7.474 0.300 25716 8317 1 17 . 1 1 52 52 ILE N N 52 118.347 118.347 118.739 -0.392 25716 8318 1 17 . 1 1 52 52 ILE HA H 52 3.283 3.283 3.647 -0.364 25716 8319 1 17 . 1 1 52 52 ILE C C 52 175.421 175.421 178.572 -3.151 25716 8320 1 17 . 1 1 52 52 ILE CA C 52 65.477 65.477 64.887 0.590 25716 8321 1 17 . 1 1 52 52 ILE CB C 52 38.703 38.703 37.766 0.937 25716 8322 1 17 . 1 1 52 52 ILE H H 52 8.388 8.388 8.372 0.016 25716 8323 1 17 . 1 1 53 53 ARG N N 53 121.323 121.323 119.948 1.375 25716 8324 1 17 . 1 1 53 53 ARG HA H 53 3.920 3.920 3.946 -0.026 25716 8325 1 17 . 1 1 53 53 ARG C C 53 176.463 176.463 177.856 -1.393 25716 8326 1 17 . 1 1 53 53 ARG CA C 53 59.458 59.458 59.739 -0.281 25716 8327 1 17 . 1 1 53 53 ARG CB C 53 30.296 30.296 29.988 0.308 25716 8328 1 17 . 1 1 53 53 ARG H H 53 7.831 7.831 7.884 -0.053 25716 8329 1 17 . 1 1 54 54 ASP N N 54 119.945 119.945 118.199 1.746 25716 8330 1 17 . 1 1 54 54 ASP HA H 54 4.319 4.319 4.530 -0.211 25716 8331 1 17 . 1 1 54 54 ASP C C 54 175.314 175.314 177.962 -2.648 25716 8332 1 17 . 1 1 54 54 ASP CA C 54 57.126 57.126 56.244 0.882 25716 8333 1 17 . 1 1 54 54 ASP CB C 54 40.074 40.074 40.840 -0.766 25716 8334 1 17 . 1 1 54 54 ASP H H 54 8.760 8.760 7.619 1.141 25716 8335 1 17 . 1 1 55 55 GLU N N 55 117.530 117.530 119.147 -1.617 25716 8336 1 17 . 1 1 55 55 GLU HA H 55 4.239 4.239 3.981 0.258 25716 8337 1 17 . 1 1 55 55 GLU C C 55 175.224 175.224 177.880 -2.656 25716 8338 1 17 . 1 1 55 55 GLU CA C 55 56.852 56.852 57.777 -0.925 25716 8339 1 17 . 1 1 55 55 GLU CB C 55 29.329 29.329 29.428 -0.099 25716 8340 1 17 . 1 1 55 55 GLU H H 55 8.701 8.701 8.085 0.616 25716 8341 1 17 . 1 1 56 56 MET N N 56 113.874 113.874 116.402 -2.528 25716 8342 1 17 . 1 1 56 56 MET HA H 56 4.566 4.566 4.418 0.148 25716 8343 1 17 . 1 1 56 56 MET C C 56 173.968 173.968 177.363 -3.395 25716 8344 1 17 . 1 1 56 56 MET CA C 56 55.539 55.539 55.039 0.500 25716 8345 1 17 . 1 1 56 56 MET CB C 56 34.094 34.094 33.339 0.755 25716 8346 1 17 . 1 1 56 56 MET H H 56 7.464 7.464 7.565 -0.101 25716 8347 1 17 . 1 1 57 57 GLY N N 57 107.900 107.900 107.664 0.236 25716 8348 1 17 . 1 1 57 57 GLY C C 57 171.496 171.496 173.910 -2.414 25716 8349 1 17 . 1 1 57 57 GLY CA C 57 46.561 46.561 45.326 1.235 25716 8350 1 17 . 1 1 57 57 GLY H H 57 7.291 7.291 7.972 -0.681 25716 8351 1 17 . 1 1 58 58 VAL N N 58 117.126 117.126 119.576 -2.450 25716 8352 1 17 . 1 1 58 58 VAL HA H 58 4.283 4.283 4.346 -0.063 25716 8353 1 17 . 1 1 58 58 VAL C C 58 171.116 171.116 174.818 -3.702 25716 8354 1 17 . 1 1 58 58 VAL CA C 58 60.487 60.487 60.405 0.082 25716 8355 1 17 . 1 1 58 58 VAL CB C 58 34.837 34.837 33.428 1.409 25716 8356 1 17 . 1 1 58 58 VAL H H 58 6.970 6.970 7.745 -0.775 25716 8357 1 17 . 1 1 59 59 SER N N 59 122.188 122.188 121.426 0.762 25716 8358 1 17 . 1 1 59 59 SER HA H 59 4.432 4.432 4.549 -0.117 25716 8359 1 17 . 1 1 59 59 SER C C 59 170.766 170.766 174.098 -3.332 25716 8360 1 17 . 1 1 59 59 SER CA C 59 56.563 56.563 57.197 -0.633 25716 8361 1 17 . 1 1 59 59 SER CB C 59 63.106 63.106 63.970 -0.864 25716 8362 1 17 . 1 1 59 59 SER H H 59 8.609 8.609 8.353 0.256 25716 8363 1 17 . 1 1 60 60 ILE N N 60 128.230 128.230 129.090 -0.860 25716 8364 1 17 . 1 1 60 60 ILE HA H 60 4.033 4.033 4.467 -0.434 25716 8365 1 17 . 1 1 60 60 ILE CA C 60 58.127 58.127 58.085 0.042 25716 8366 1 17 . 1 1 60 60 ILE CB C 60 38.217 38.217 38.370 -0.153 25716 8367 1 17 . 1 1 60 60 ILE H H 60 8.257 8.257 8.426 -0.169 25716 8368 1 17 . 1 1 61 61 PRO HA H 61 4.501 4.501 4.692 -0.191 25716 8369 1 17 . 1 1 61 61 PRO CA C 61 62.352 62.352 62.200 0.152 25716 8370 1 17 . 1 1 61 61 PRO CB C 61 32.469 32.469 32.604 -0.135 25716 8371 1 17 . 1 1 62 62 SER HA H 62 4.058 4.058 4.224 -0.166 25716 8372 1 17 . 1 1 62 62 SER C C 62 173.269 173.269 175.829 -2.560 25716 8373 1 17 . 1 1 62 62 SER CA C 62 61.511 61.511 60.926 0.585 25716 8374 1 17 . 1 1 62 62 SER CB C 62 62.646 62.646 62.929 -0.283 25716 8375 1 17 . 1 1 63 63 THR N N 63 110.178 110.178 115.364 -5.186 25716 8376 1 17 . 1 1 63 63 THR HA H 63 4.066 4.066 4.224 -0.158 25716 8377 1 17 . 1 1 63 63 THR C C 63 172.917 172.917 175.555 -2.638 25716 8378 1 17 . 1 1 63 63 THR CA C 63 63.007 63.007 64.160 -1.153 25716 8379 1 17 . 1 1 63 63 THR CB C 63 69.323 69.323 68.821 0.502 25716 8380 1 17 . 1 1 63 63 THR H H 63 7.307 7.307 8.128 -0.821 25716 8381 1 17 . 1 1 64 64 HIS N N 64 121.862 121.862 118.476 3.386 25716 8382 1 17 . 1 1 64 64 HIS HA H 64 4.495 4.495 4.235 0.260 25716 8383 1 17 . 1 1 64 64 HIS C C 64 171.495 171.495 174.881 -3.386 25716 8384 1 17 . 1 1 64 64 HIS CA C 64 56.203 56.203 55.284 0.919 25716 8385 1 17 . 1 1 64 64 HIS CB C 64 29.814 29.814 30.081 -0.267 25716 8386 1 17 . 1 1 64 64 HIS H H 64 8.132 8.132 7.645 0.487 25716 8387 1 17 . 1 1 65 65 ILE N N 65 118.536 118.536 121.373 -2.837 25716 8388 1 17 . 1 1 65 65 ILE HA H 65 4.165 4.165 4.166 -0.001 25716 8389 1 17 . 1 1 65 65 ILE C C 65 172.049 172.049 175.729 -3.680 25716 8390 1 17 . 1 1 65 65 ILE CA C 65 60.576 60.576 60.815 -0.239 25716 8391 1 17 . 1 1 65 65 ILE CB C 65 35.561 35.561 35.121 0.440 25716 8392 1 17 . 1 1 65 65 ILE H H 65 7.223 7.223 7.233 -0.010 25716 8393 1 17 . 1 1 66 66 THR N N 66 114.529 114.529 121.143 -6.614 25716 8394 1 17 . 1 1 66 66 THR HA H 66 4.635 4.635 4.554 0.081 25716 8395 1 17 . 1 1 66 66 THR C C 66 172.176 172.176 175.441 -3.265 25716 8396 1 17 . 1 1 66 66 THR CA C 66 59.827 59.827 60.526 -0.699 25716 8397 1 17 . 1 1 66 66 THR CB C 66 70.679 70.679 72.143 -1.464 25716 8398 1 17 . 1 1 66 66 THR H H 66 7.943 7.943 8.015 -0.072 25716 8399 1 17 . 1 1 67 67 GLY N N 67 109.454 109.454 109.967 -0.513 25716 8400 1 17 . 1 1 67 67 GLY C C 67 172.080 172.080 175.591 -3.511 25716 8401 1 17 . 1 1 67 67 GLY CA C 67 47.245 47.245 46.527 0.718 25716 8402 1 17 . 1 1 67 67 GLY H H 67 8.736 8.736 8.817 -0.081 25716 8403 1 17 . 1 1 68 68 LYS N N 68 118.551 118.551 120.214 -1.663 25716 8404 1 17 . 1 1 68 68 LYS HA H 68 3.851 3.851 4.105 -0.254 25716 8405 1 17 . 1 1 68 68 LYS C C 68 174.455 174.455 177.892 -3.437 25716 8406 1 17 . 1 1 68 68 LYS CA C 68 58.697 58.697 58.617 0.080 25716 8407 1 17 . 1 1 68 68 LYS CB C 68 32.350 32.350 32.519 -0.169 25716 8408 1 17 . 1 1 68 68 LYS H H 68 7.968 7.968 7.535 0.433 25716 8409 1 17 . 1 1 69 69 TYR N N 69 115.203 115.203 117.274 -2.071 25716 8410 1 17 . 1 1 69 69 TYR HA H 69 4.213 4.213 4.315 -0.102 25716 8411 1 17 . 1 1 69 69 TYR C C 69 171.772 171.772 177.617 -5.845 25716 8412 1 17 . 1 1 69 69 TYR CA C 69 59.212 59.212 57.921 1.291 25716 8413 1 17 . 1 1 69 69 TYR CB C 69 38.555 38.555 39.449 -0.894 25716 8414 1 17 . 1 1 69 69 TYR H H 69 6.826 6.826 7.520 -0.694 25716 8415 1 17 . 1 1 70 70 PHE N N 70 112.140 112.140 115.447 -3.307 25716 8416 1 17 . 1 1 70 70 PHE HA H 70 4.629 4.629 4.693 -0.064 25716 8417 1 17 . 1 1 70 70 PHE C C 70 171.998 171.998 176.223 -4.225 25716 8418 1 17 . 1 1 70 70 PHE CA C 70 57.245 57.245 58.346 -1.101 25716 8419 1 17 . 1 1 70 70 PHE CB C 70 40.329 40.329 38.446 1.883 25716 8420 1 17 . 1 1 70 70 PHE H H 70 7.327 7.327 8.267 -0.940 25716 8421 1 17 . 1 1 71 71 LYS N N 71 113.603 113.603 119.267 -5.664 25716 8422 1 17 . 1 1 71 71 LYS HA H 71 3.875 3.875 4.060 -0.185 25716 8423 1 17 . 1 1 71 71 LYS C C 71 172.963 172.963 176.224 -3.261 25716 8424 1 17 . 1 1 71 71 LYS CA C 71 59.667 59.667 58.387 1.280 25716 8425 1 17 . 1 1 71 71 LYS CB C 71 33.074 33.074 32.709 0.366 25716 8426 1 17 . 1 1 71 71 LYS H H 71 6.925 6.925 7.857 -0.932 25716 8427 1 17 . 1 1 72 72 ASP N N 72 110.434 110.434 113.612 -3.178 25716 8428 1 17 . 1 1 72 72 ASP HA H 72 4.441 4.441 4.829 -0.388 25716 8429 1 17 . 1 1 72 72 ASP C C 72 172.750 172.750 175.714 -2.964 25716 8430 1 17 . 1 1 72 72 ASP CA C 72 52.378 52.378 52.856 -0.478 25716 8431 1 17 . 1 1 72 72 ASP CB C 72 42.426 42.426 43.517 -1.091 25716 8432 1 17 . 1 1 72 72 ASP H H 72 7.363 7.363 7.410 -0.047 25716 8433 1 17 . 1 1 73 73 LEU N N 73 120.273 120.273 119.562 0.711 25716 8434 1 17 . 1 1 73 73 LEU HA H 73 3.920 3.920 4.118 -0.198 25716 8435 1 17 . 1 1 73 73 LEU C C 73 176.648 176.648 177.820 -1.172 25716 8436 1 17 . 1 1 73 73 LEU CA C 73 58.120 58.120 57.020 1.100 25716 8437 1 17 . 1 1 73 73 LEU CB C 73 42.574 42.574 42.272 0.302 25716 8438 1 17 . 1 1 73 73 LEU H H 73 9.983 9.983 8.347 1.636 25716 8439 1 17 . 1 1 74 74 ASN N N 74 119.506 119.506 118.727 0.779 25716 8440 1 17 . 1 1 74 74 ASN HA H 74 4.405 4.405 4.354 0.051 25716 8441 1 17 . 1 1 74 74 ASN C C 74 174.659 174.659 177.226 -2.567 25716 8442 1 17 . 1 1 74 74 ASN CA C 74 56.287 56.287 56.850 -0.563 25716 8443 1 17 . 1 1 74 74 ASN CB C 74 37.579 37.579 38.396 -0.817 25716 8444 1 17 . 1 1 74 74 ASN H H 74 7.893 7.893 7.954 -0.061 25716 8445 1 17 . 1 1 75 75 ALA N N 75 125.068 125.068 122.475 2.593 25716 8446 1 17 . 1 1 75 75 ALA HA H 75 4.097 4.097 4.017 0.080 25716 8447 1 17 . 1 1 75 75 ALA C C 75 177.809 177.809 179.681 -1.872 25716 8448 1 17 . 1 1 75 75 ALA CA C 75 55.365 55.365 54.556 0.809 25716 8449 1 17 . 1 1 75 75 ALA CB C 75 18.572 18.572 18.296 0.276 25716 8450 1 17 . 1 1 75 75 ALA H H 75 8.951 8.951 7.807 1.144 25716 8451 1 17 . 1 1 76 76 ILE N N 76 119.561 119.561 118.736 0.825 25716 8452 1 17 . 1 1 76 76 ILE HA H 76 3.615 3.615 3.200 0.415 25716 8453 1 17 . 1 1 76 76 ILE C C 76 175.344 175.344 177.556 -2.212 25716 8454 1 17 . 1 1 76 76 ILE CA C 76 65.272 65.272 64.928 0.344 25716 8455 1 17 . 1 1 76 76 ILE CB C 76 39.056 39.056 37.913 1.143 25716 8456 1 17 . 1 1 76 76 ILE H H 76 8.386 8.386 7.888 0.498 25716 8457 1 17 . 1 1 77 77 SER N N 77 114.090 114.090 115.422 -1.332 25716 8458 1 17 . 1 1 77 77 SER HA H 77 3.878 3.878 4.169 -0.291 25716 8459 1 17 . 1 1 77 77 SER C C 77 173.592 173.592 176.576 -2.984 25716 8460 1 17 . 1 1 77 77 SER CA C 77 62.733 62.733 61.713 1.020 25716 8461 1 17 . 1 1 77 77 SER CB C 77 62.864 62.864 63.345 -0.481 25716 8462 1 17 . 1 1 77 77 SER H H 77 8.250 8.250 8.115 0.135 25716 8463 1 17 . 1 1 78 78 ARG N N 78 121.670 121.670 120.503 1.167 25716 8464 1 17 . 1 1 78 78 ARG HA H 78 4.129 4.129 4.029 0.100 25716 8465 1 17 . 1 1 78 78 ARG C C 78 176.111 176.111 178.070 -1.959 25716 8466 1 17 . 1 1 78 78 ARG CA C 78 59.328 59.328 59.360 -0.032 25716 8467 1 17 . 1 1 78 78 ARG CB C 78 29.814 29.814 29.359 0.455 25716 8468 1 17 . 1 1 78 78 ARG H H 78 8.086 8.086 7.949 0.137 25716 8469 1 17 . 1 1 79 79 THR N N 79 118.928 118.928 113.878 5.050 25716 8470 1 17 . 1 1 79 79 THR HA H 79 4.525 4.525 4.128 0.397 25716 8471 1 17 . 1 1 79 79 THR C C 79 173.364 173.364 176.300 -2.936 25716 8472 1 17 . 1 1 79 79 THR CA C 79 68.289 68.289 65.216 3.073 25716 8473 1 17 . 1 1 79 79 THR CB C 79 67.268 67.268 68.190 -0.922 25716 8474 1 17 . 1 1 79 79 THR H H 79 8.351 8.351 7.396 0.955 25716 8475 1 17 . 1 1 80 80 VAL N N 80 120.643 120.643 121.635 -0.992 25716 8476 1 17 . 1 1 80 80 VAL HA H 80 3.339 3.339 3.718 -0.379 25716 8477 1 17 . 1 1 80 80 VAL C C 80 174.438 174.438 177.993 -3.555 25716 8478 1 17 . 1 1 80 80 VAL CA C 80 67.603 67.603 66.791 0.812 25716 8479 1 17 . 1 1 80 80 VAL CB C 80 31.532 31.532 31.488 0.044 25716 8480 1 17 . 1 1 80 80 VAL H H 80 8.242 8.242 7.505 0.737 25716 8481 1 17 . 1 1 81 81 GLU N N 81 118.067 118.067 119.255 -1.188 25716 8482 1 17 . 1 1 81 81 GLU HA H 81 3.943 3.943 4.057 -0.114 25716 8483 1 17 . 1 1 81 81 GLU C C 81 176.961 176.961 179.115 -2.154 25716 8484 1 17 . 1 1 81 81 GLU CA C 81 59.974 59.974 59.086 0.888 25716 8485 1 17 . 1 1 81 81 GLU CB C 81 29.817 29.817 28.787 1.030 25716 8486 1 17 . 1 1 81 81 GLU H H 81 8.296 8.296 8.119 0.177 25716 8487 1 17 . 1 1 82 82 GLN N N 82 119.947 119.947 120.200 -0.253 25716 8488 1 17 . 1 1 82 82 GLN HA H 82 4.110 4.110 4.128 -0.018 25716 8489 1 17 . 1 1 82 82 GLN C C 82 176.023 176.023 178.359 -2.336 25716 8490 1 17 . 1 1 82 82 GLN CA C 82 58.991 58.991 58.456 0.534 25716 8491 1 17 . 1 1 82 82 GLN CB C 82 28.136 28.136 28.185 -0.049 25716 8492 1 17 . 1 1 82 82 GLN H H 82 8.444 8.444 7.932 0.512 25716 8493 1 17 . 1 1 83 83 LEU N N 83 119.916 119.916 119.621 0.295 25716 8494 1 17 . 1 1 83 83 LEU HA H 83 4.075 4.075 4.121 -0.046 25716 8495 1 17 . 1 1 83 83 LEU C C 83 177.753 177.753 178.919 -1.166 25716 8496 1 17 . 1 1 83 83 LEU CA C 83 57.453 57.453 57.507 -0.054 25716 8497 1 17 . 1 1 83 83 LEU CB C 83 41.673 41.673 41.671 0.002 25716 8498 1 17 . 1 1 83 83 LEU H H 83 8.149 8.149 8.220 -0.071 25716 8499 1 17 . 1 1 84 84 LYS N N 84 121.059 121.059 120.156 0.903 25716 8500 1 17 . 1 1 84 84 LYS HA H 84 3.951 3.951 3.933 0.018 25716 8501 1 17 . 1 1 84 84 LYS C C 84 176.055 176.055 178.564 -2.509 25716 8502 1 17 . 1 1 84 84 LYS CA C 84 59.328 59.328 59.582 -0.254 25716 8503 1 17 . 1 1 84 84 LYS CB C 84 32.291 32.291 32.213 0.078 25716 8504 1 17 . 1 1 84 84 LYS H H 84 8.373 8.373 7.946 0.427 25716 8505 1 17 . 1 1 85 85 ALA N N 85 122.134 122.134 121.913 0.221 25716 8506 1 17 . 1 1 85 85 ALA HA H 85 4.188 4.188 4.082 0.106 25716 8507 1 17 . 1 1 85 85 ALA C C 85 177.240 177.240 180.154 -2.914 25716 8508 1 17 . 1 1 85 85 ALA CA C 85 54.423 54.423 55.218 -0.794 25716 8509 1 17 . 1 1 85 85 ALA CB C 85 18.193 18.193 18.050 0.143 25716 8510 1 17 . 1 1 85 85 ALA H H 85 7.854 7.854 7.811 0.043 25716 8511 1 17 . 1 1 86 86 GLU N N 86 117.813 117.813 117.822 -0.009 25716 8512 1 17 . 1 1 86 86 GLU HA H 86 4.115 4.115 4.124 -0.009 25716 8513 1 17 . 1 1 86 86 GLU C C 86 175.547 175.547 179.369 -3.822 25716 8514 1 17 . 1 1 86 86 GLU CA C 86 58.199 58.199 58.718 -0.519 25716 8515 1 17 . 1 1 86 86 GLU CB C 86 29.841 29.841 29.309 0.532 25716 8516 1 17 . 1 1 86 86 GLU H H 86 8.059 8.059 8.012 0.047 25716 8517 1 17 . 1 1 87 87 SER N N 87 114.771 114.771 115.087 -0.316 25716 8518 1 17 . 1 1 87 87 SER HA H 87 4.362 4.362 4.324 0.038 25716 8519 1 17 . 1 1 87 87 SER C C 87 172.405 172.405 176.056 -3.651 25716 8520 1 17 . 1 1 87 87 SER CA C 87 59.806 59.806 60.823 -1.017 25716 8521 1 17 . 1 1 87 87 SER CB C 87 63.528 63.528 63.097 0.431 25716 8522 1 17 . 1 1 87 87 SER H H 87 7.908 7.908 8.026 -0.118 25716 8523 1 17 . 1 1 88 88 ALA N N 88 124.277 124.277 124.955 -0.678 25716 8524 1 17 . 1 1 88 88 ALA HA H 88 4.284 4.284 4.145 0.139 25716 8525 1 17 . 1 1 88 88 ALA C C 88 175.489 175.489 178.735 -3.246 25716 8526 1 17 . 1 1 88 88 ALA CA C 88 53.087 53.087 54.806 -1.719 25716 8527 1 17 . 1 1 88 88 ALA CB C 88 18.792 18.792 18.814 -0.022 25716 8528 1 17 . 1 1 88 88 ALA H H 88 7.812 7.812 7.958 -0.146 25716 8529 1 17 . 1 1 89 89 LEU N N 89 119.411 119.411 118.811 0.600 25716 8530 1 17 . 1 1 89 89 LEU HA H 89 4.219 4.219 4.449 -0.230 25716 8531 1 17 . 1 1 89 89 LEU C C 89 175.025 175.025 177.896 -2.871 25716 8532 1 17 . 1 1 89 89 LEU CA C 89 55.608 55.608 55.541 0.067 25716 8533 1 17 . 1 1 89 89 LEU CB C 89 42.213 42.213 41.487 0.726 25716 8534 1 17 . 1 1 89 89 LEU H H 89 7.769 7.769 7.823 -0.054 25716 8535 1 18 . 1 1 2 2 ASP HA H 2 4.704 4.704 4.588 0.116 25716 8536 1 18 . 1 1 2 2 ASP C C 2 173.822 173.822 177.645 -3.823 25716 8537 1 18 . 1 1 2 2 ASP CA C 2 54.130 54.130 54.632 -0.502 25716 8538 1 18 . 1 1 2 2 ASP CB C 2 41.601 41.601 41.747 -0.146 25716 8539 1 18 . 1 1 3 3 GLY N N 3 109.376 109.376 110.212 -0.836 25716 8540 1 18 . 1 1 3 3 GLY C C 3 172.786 172.786 176.234 -3.448 25716 8541 1 18 . 1 1 3 3 GLY CA C 3 46.704 46.704 46.331 0.373 25716 8542 1 18 . 1 1 3 3 GLY H H 3 8.712 8.712 8.392 0.320 25716 8543 1 18 . 1 1 4 4 GLU N N 4 120.623 120.623 122.470 -1.847 25716 8544 1 18 . 1 1 4 4 GLU HA H 4 4.207 4.207 4.172 0.035 25716 8545 1 18 . 1 1 4 4 GLU C C 4 175.198 175.198 178.433 -3.235 25716 8546 1 18 . 1 1 4 4 GLU CA C 4 58.159 58.159 58.714 -0.555 25716 8547 1 18 . 1 1 4 4 GLU CB C 4 29.793 29.793 29.172 0.621 25716 8548 1 18 . 1 1 4 4 GLU H H 4 8.280 8.280 7.992 0.288 25716 8549 1 18 . 1 1 5 5 GLU N N 5 121.684 121.684 120.897 0.787 25716 8550 1 18 . 1 1 5 5 GLU HA H 5 4.173 4.173 4.169 0.004 25716 8551 1 18 . 1 1 5 5 GLU C C 5 175.720 175.720 179.006 -3.286 25716 8552 1 18 . 1 1 5 5 GLU CA C 5 58.648 58.648 58.992 -0.344 25716 8553 1 18 . 1 1 5 5 GLU CB C 5 29.819 29.819 29.345 0.474 25716 8554 1 18 . 1 1 5 5 GLU H H 5 8.254 8.254 7.826 0.428 25716 8555 1 18 . 1 1 6 6 VAL N N 6 120.195 120.195 120.684 -0.489 25716 8556 1 18 . 1 1 6 6 VAL HA H 6 3.594 3.594 3.557 0.037 25716 8557 1 18 . 1 1 6 6 VAL C C 6 174.638 174.638 178.065 -3.427 25716 8558 1 18 . 1 1 6 6 VAL CA C 6 66.621 66.621 66.864 -0.243 25716 8559 1 18 . 1 1 6 6 VAL CB C 6 32.041 32.041 31.514 0.527 25716 8560 1 18 . 1 1 6 6 VAL H H 6 8.137 8.137 8.409 -0.272 25716 8561 1 18 . 1 1 7 7 LYS N N 7 118.688 118.688 118.891 -0.203 25716 8562 1 18 . 1 1 7 7 LYS HA H 7 3.776 3.776 3.916 -0.140 25716 8563 1 18 . 1 1 7 7 LYS C C 7 175.192 175.192 178.677 -3.485 25716 8564 1 18 . 1 1 7 7 LYS CA C 7 60.903 60.903 60.220 0.683 25716 8565 1 18 . 1 1 7 7 LYS CB C 7 32.251 32.251 32.179 0.072 25716 8566 1 18 . 1 1 7 7 LYS H H 7 8.099 8.099 7.789 0.310 25716 8567 1 18 . 1 1 8 8 GLU N N 8 117.138 117.138 119.439 -2.301 25716 8568 1 18 . 1 1 8 8 GLU HA H 8 4.188 4.188 4.050 0.138 25716 8569 1 18 . 1 1 8 8 GLU C C 8 176.405 176.405 178.932 -2.527 25716 8570 1 18 . 1 1 8 8 GLU CA C 8 58.635 58.635 59.352 -0.717 25716 8571 1 18 . 1 1 8 8 GLU CB C 8 29.149 29.149 29.398 -0.249 25716 8572 1 18 . 1 1 8 8 GLU H H 8 7.875 7.875 8.126 -0.251 25716 8573 1 18 . 1 1 9 9 LYS N N 9 119.639 119.639 118.908 0.731 25716 8574 1 18 . 1 1 9 9 LYS HA H 9 4.072 4.072 4.136 -0.064 25716 8575 1 18 . 1 1 9 9 LYS C C 9 177.376 177.376 179.090 -1.714 25716 8576 1 18 . 1 1 9 9 LYS CA C 9 59.994 59.994 59.928 0.066 25716 8577 1 18 . 1 1 9 9 LYS CB C 9 32.471 32.471 32.431 0.040 25716 8578 1 18 . 1 1 9 9 LYS H H 9 8.102 8.102 8.021 0.081 25716 8579 1 18 . 1 1 10 10 ILE N N 10 119.456 119.456 118.425 1.031 25716 8580 1 18 . 1 1 10 10 ILE HA H 10 3.713 3.713 3.804 -0.091 25716 8581 1 18 . 1 1 10 10 ILE C C 10 174.153 174.153 178.022 -3.869 25716 8582 1 18 . 1 1 10 10 ILE CA C 10 65.549 65.549 64.632 0.917 25716 8583 1 18 . 1 1 10 10 ILE CB C 10 37.522 37.522 37.830 -0.307 25716 8584 1 18 . 1 1 10 10 ILE H H 10 8.210 8.210 7.455 0.755 25716 8585 1 18 . 1 1 11 11 ARG N N 11 121.172 121.172 119.190 1.982 25716 8586 1 18 . 1 1 11 11 ARG HA H 11 3.608 3.608 4.050 -0.442 25716 8587 1 18 . 1 1 11 11 ARG C C 11 174.925 174.925 178.456 -3.531 25716 8588 1 18 . 1 1 11 11 ARG CA C 11 60.617 60.617 58.872 1.745 25716 8589 1 18 . 1 1 11 11 ARG CB C 11 30.480 30.480 29.372 1.108 25716 8590 1 18 . 1 1 11 11 ARG H H 11 8.851 8.851 8.509 0.342 25716 8591 1 18 . 1 1 12 12 ARG N N 12 116.578 116.578 120.400 -3.822 25716 8592 1 18 . 1 1 12 12 ARG HA H 12 3.935 3.935 4.144 -0.209 25716 8593 1 18 . 1 1 12 12 ARG C C 12 174.817 174.817 178.365 -3.548 25716 8594 1 18 . 1 1 12 12 ARG CA C 12 59.162 59.162 58.255 0.907 25716 8595 1 18 . 1 1 12 12 ARG CB C 12 29.476 29.476 29.420 0.056 25716 8596 1 18 . 1 1 12 12 ARG H H 12 8.126 8.126 7.883 0.243 25716 8597 1 18 . 1 1 13 13 TYR N N 13 119.994 119.994 121.035 -1.041 25716 8598 1 18 . 1 1 13 13 TYR HA H 13 4.047 4.047 4.143 -0.096 25716 8599 1 18 . 1 1 13 13 TYR C C 13 175.273 175.273 177.853 -2.580 25716 8600 1 18 . 1 1 13 13 TYR CA C 13 61.856 61.856 60.655 1.201 25716 8601 1 18 . 1 1 13 13 TYR CB C 13 38.459 38.459 37.656 0.804 25716 8602 1 18 . 1 1 13 13 TYR H H 13 7.758 7.758 7.738 0.020 25716 8603 1 18 . 1 1 14 14 ILE N N 14 117.754 117.754 119.396 -1.642 25716 8604 1 18 . 1 1 14 14 ILE HA H 14 3.239 3.239 3.424 -0.185 25716 8605 1 18 . 1 1 14 14 ILE C C 14 175.425 175.425 177.247 -1.822 25716 8606 1 18 . 1 1 14 14 ILE CA C 14 65.826 65.826 65.349 0.477 25716 8607 1 18 . 1 1 14 14 ILE CB C 14 37.782 37.782 37.658 0.124 25716 8608 1 18 . 1 1 14 14 ILE H H 14 8.464 8.464 7.970 0.494 25716 8609 1 18 . 1 1 15 15 MET N N 15 116.173 116.173 117.197 -1.024 25716 8610 1 18 . 1 1 15 15 MET HA H 15 3.939 3.939 4.128 -0.189 25716 8611 1 18 . 1 1 15 15 MET C C 15 174.676 174.676 177.788 -3.112 25716 8612 1 18 . 1 1 15 15 MET CA C 15 59.276 59.276 58.959 0.318 25716 8613 1 18 . 1 1 15 15 MET CB C 15 32.885 32.885 32.319 0.566 25716 8614 1 18 . 1 1 15 15 MET H H 15 8.265 8.265 7.335 0.930 25716 8615 1 18 . 1 1 16 16 GLU N N 16 116.398 116.398 117.971 -1.573 25716 8616 1 18 . 1 1 16 16 GLU HA H 16 3.980 3.980 4.098 -0.118 25716 8617 1 18 . 1 1 16 16 GLU C C 16 175.158 175.158 178.400 -3.242 25716 8618 1 18 . 1 1 16 16 GLU CA C 16 58.767 58.767 58.881 -0.114 25716 8619 1 18 . 1 1 16 16 GLU CB C 16 30.078 30.078 29.877 0.201 25716 8620 1 18 . 1 1 16 16 GLU H H 16 8.619 8.619 7.900 0.719 25716 8621 1 18 . 1 1 17 17 ASP N N 17 116.973 116.973 118.082 -1.109 25716 8622 1 18 . 1 1 17 17 ASP HA H 17 4.591 4.591 4.611 -0.020 25716 8623 1 18 . 1 1 17 17 ASP C C 17 174.240 174.240 178.242 -4.002 25716 8624 1 18 . 1 1 17 17 ASP CA C 17 55.438 55.438 55.546 -0.108 25716 8625 1 18 . 1 1 17 17 ASP CB C 17 42.657 42.657 41.516 1.141 25716 8626 1 18 . 1 1 17 17 ASP H H 17 8.119 8.119 7.764 0.355 25716 8627 1 18 . 1 1 18 18 LEU N N 18 115.667 115.667 119.709 -4.042 25716 8628 1 18 . 1 1 18 18 LEU HA H 18 4.488 4.488 4.103 0.385 25716 8629 1 18 . 1 1 18 18 LEU C C 18 175.062 175.062 177.703 -2.641 25716 8630 1 18 . 1 1 18 18 LEU CA C 18 56.075 56.075 56.867 -0.792 25716 8631 1 18 . 1 1 18 18 LEU CB C 18 41.096 41.096 42.543 -1.447 25716 8632 1 18 . 1 1 18 18 LEU H H 18 7.162 7.162 7.172 -0.010 25716 8633 1 18 . 1 1 19 19 ILE N N 19 120.763 120.763 115.854 4.909 25716 8634 1 18 . 1 1 19 19 ILE HA H 19 3.979 3.979 4.337 -0.358 25716 8635 1 18 . 1 1 19 19 ILE C C 19 174.557 174.557 175.848 -1.291 25716 8636 1 18 . 1 1 19 19 ILE CA C 19 63.809 63.809 60.836 2.973 25716 8637 1 18 . 1 1 19 19 ILE CB C 19 38.044 38.044 40.854 -2.810 25716 8638 1 18 . 1 1 19 19 ILE H H 19 8.017 8.017 7.792 0.225 25716 8639 1 18 . 1 1 20 20 GLY N N 20 108.619 108.619 110.298 -1.679 25716 8640 1 18 . 1 1 20 20 GLY CA C 20 44.560 44.560 45.119 -0.559 25716 8641 1 18 . 1 1 20 20 GLY H H 20 8.126 8.126 8.502 -0.376 25716 8642 1 18 . 1 1 21 21 PRO HA H 21 4.385 4.385 4.566 -0.181 25716 8643 1 18 . 1 1 21 21 PRO C C 21 174.855 174.855 176.736 -1.881 25716 8644 1 18 . 1 1 21 21 PRO CA C 21 64.406 64.406 63.472 0.934 25716 8645 1 18 . 1 1 21 21 PRO CB C 21 32.027 32.027 32.087 -0.060 25716 8646 1 18 . 1 1 22 22 SER N N 22 114.165 114.165 113.446 0.719 25716 8647 1 18 . 1 1 22 22 SER HA H 22 4.394 4.394 4.429 -0.035 25716 8648 1 18 . 1 1 22 22 SER C C 22 171.708 171.708 174.424 -2.716 25716 8649 1 18 . 1 1 22 22 SER CA C 22 58.871 58.871 58.092 0.779 25716 8650 1 18 . 1 1 22 22 SER CB C 22 63.473 63.473 63.062 0.411 25716 8651 1 18 . 1 1 22 22 SER H H 22 8.279 8.279 7.979 0.300 25716 8652 1 18 . 1 1 23 23 ALA N N 23 125.151 125.151 125.329 -0.178 25716 8653 1 18 . 1 1 23 23 ALA HA H 23 4.250 4.250 4.519 -0.269 25716 8654 1 18 . 1 1 23 23 ALA C C 23 174.903 174.903 175.856 -0.953 25716 8655 1 18 . 1 1 23 23 ALA CA C 23 52.851 52.851 50.837 2.014 25716 8656 1 18 . 1 1 23 23 ALA CB C 23 19.376 19.376 18.635 0.741 25716 8657 1 18 . 1 1 23 23 ALA H H 23 8.040 8.040 7.272 0.768 25716 8658 1 18 . 1 1 24 24 LYS N N 24 120.823 120.823 122.188 -1.365 25716 8659 1 18 . 1 1 24 24 LYS HA H 24 4.346 4.346 4.160 0.186 25716 8660 1 18 . 1 1 24 24 LYS C C 24 174.522 174.522 178.346 -3.824 25716 8661 1 18 . 1 1 24 24 LYS CA C 24 55.938 55.938 55.775 0.163 25716 8662 1 18 . 1 1 24 24 LYS CB C 24 33.187 33.187 33.199 -0.012 25716 8663 1 18 . 1 1 24 24 LYS H H 24 8.306 8.306 7.744 0.562 25716 8664 1 18 . 1 1 25 25 GLU N N 25 121.186 121.186 122.128 -0.942 25716 8665 1 18 . 1 1 25 25 GLU HA H 25 4.114 4.114 3.979 0.135 25716 8666 1 18 . 1 1 25 25 GLU C C 25 173.808 173.808 177.084 -3.276 25716 8667 1 18 . 1 1 25 25 GLU CA C 25 58.023 58.023 59.598 -1.575 25716 8668 1 18 . 1 1 25 25 GLU CB C 25 29.769 29.769 29.656 0.113 25716 8669 1 18 . 1 1 25 25 GLU H H 25 8.569 8.569 8.922 -0.353 25716 8670 1 18 . 1 1 26 26 ASP N N 26 117.111 117.111 113.708 3.403 25716 8671 1 18 . 1 1 26 26 ASP HA H 26 4.569 4.569 4.805 -0.236 25716 8672 1 18 . 1 1 26 26 ASP C C 26 173.265 173.265 175.937 -2.672 25716 8673 1 18 . 1 1 26 26 ASP CA C 26 54.061 54.061 52.807 1.254 25716 8674 1 18 . 1 1 26 26 ASP CB C 26 40.742 40.742 40.760 -0.018 25716 8675 1 18 . 1 1 26 26 ASP H H 26 8.139 8.139 8.127 0.012 25716 8676 1 18 . 1 1 27 27 GLU N N 27 118.932 118.932 118.806 0.126 25716 8677 1 18 . 1 1 27 27 GLU HA H 27 4.239 4.239 4.414 -0.175 25716 8678 1 18 . 1 1 27 27 GLU C C 27 172.838 172.838 177.321 -4.483 25716 8679 1 18 . 1 1 27 27 GLU CA C 27 56.645 56.645 57.678 -1.033 25716 8680 1 18 . 1 1 27 27 GLU CB C 27 30.703 30.703 30.583 0.120 25716 8681 1 18 . 1 1 27 27 GLU H H 27 7.859 7.859 8.134 -0.275 25716 8682 1 18 . 1 1 28 28 LEU N N 28 121.726 121.726 120.157 1.569 25716 8683 1 18 . 1 1 28 28 LEU HA H 28 4.570 4.570 4.305 0.265 25716 8684 1 18 . 1 1 28 28 LEU C C 28 172.438 172.438 175.817 -3.379 25716 8685 1 18 . 1 1 28 28 LEU CA C 28 54.503 54.503 54.339 0.164 25716 8686 1 18 . 1 1 28 28 LEU CB C 28 43.342 43.342 41.056 2.286 25716 8687 1 18 . 1 1 28 28 LEU H H 28 7.671 7.671 7.814 -0.143 25716 8688 1 18 . 1 1 29 29 ASP N N 29 126.685 126.685 124.038 2.647 25716 8689 1 18 . 1 1 29 29 ASP HA H 29 4.822 4.822 4.737 0.085 25716 8690 1 18 . 1 1 29 29 ASP C C 29 173.732 173.732 175.523 -1.791 25716 8691 1 18 . 1 1 29 29 ASP CA C 29 52.855 52.855 52.694 0.161 25716 8692 1 18 . 1 1 29 29 ASP CB C 29 43.124 43.124 44.667 -1.543 25716 8693 1 18 . 1 1 29 29 ASP H H 29 8.950 8.950 8.230 0.720 25716 8694 1 18 . 1 1 30 30 ASP N N 30 120.317 120.317 117.083 3.234 25716 8695 1 18 . 1 1 30 30 ASP HA H 30 4.247 4.247 4.396 -0.149 25716 8696 1 18 . 1 1 30 30 ASP C C 30 172.143 172.143 176.288 -4.145 25716 8697 1 18 . 1 1 30 30 ASP CA C 30 57.352 57.352 56.175 1.177 25716 8698 1 18 . 1 1 30 30 ASP CB C 30 40.160 40.160 41.124 -0.964 25716 8699 1 18 . 1 1 30 30 ASP H H 30 8.500 8.500 8.478 0.022 25716 8700 1 18 . 1 1 31 31 GLN N N 31 111.109 111.109 117.684 -6.575 25716 8701 1 18 . 1 1 31 31 GLN HA H 31 4.590 4.590 4.435 0.155 25716 8702 1 18 . 1 1 31 31 GLN C C 31 174.343 174.343 175.395 -1.052 25716 8703 1 18 . 1 1 31 31 GLN CA C 31 54.437 54.437 55.171 -0.734 25716 8704 1 18 . 1 1 31 31 GLN CB C 31 30.038 30.038 29.758 0.280 25716 8705 1 18 . 1 1 31 31 GLN H H 31 8.234 8.234 7.986 0.248 25716 8706 1 18 . 1 1 32 32 THR N N 32 123.333 123.333 119.139 4.194 25716 8707 1 18 . 1 1 32 32 THR HA H 32 3.856 3.856 4.224 -0.368 25716 8708 1 18 . 1 1 32 32 THR CA C 32 62.805 62.805 61.601 1.204 25716 8709 1 18 . 1 1 32 32 THR CB C 32 69.907 69.907 68.839 1.068 25716 8710 1 18 . 1 1 32 32 THR H H 32 7.663 7.663 7.180 0.483 25716 8711 1 18 . 1 1 33 33 PRO HA H 33 4.823 4.823 4.770 0.053 25716 8712 1 18 . 1 1 33 33 PRO C C 33 172.190 172.190 177.090 -4.900 25716 8713 1 18 . 1 1 33 33 PRO CA C 33 61.670 61.670 62.852 -1.182 25716 8714 1 18 . 1 1 33 33 PRO CB C 33 29.880 29.880 31.179 -1.299 25716 8715 1 18 . 1 1 34 34 LEU N N 34 126.562 126.562 123.762 2.800 25716 8716 1 18 . 1 1 34 34 LEU HA H 34 3.820 3.820 3.640 0.180 25716 8717 1 18 . 1 1 34 34 LEU C C 34 176.590 176.590 178.529 -1.939 25716 8718 1 18 . 1 1 34 34 LEU CA C 34 57.808 57.808 58.130 -0.322 25716 8719 1 18 . 1 1 34 34 LEU CB C 34 42.569 42.569 41.490 1.079 25716 8720 1 18 . 1 1 34 34 LEU H H 34 7.988 7.988 7.847 0.141 25716 8721 1 18 . 1 1 35 35 LEU N N 35 117.687 117.687 117.753 -0.066 25716 8722 1 18 . 1 1 35 35 LEU HA H 35 4.539 4.539 4.171 0.368 25716 8723 1 18 . 1 1 35 35 LEU C C 35 178.411 178.411 178.763 -0.352 25716 8724 1 18 . 1 1 35 35 LEU CA C 35 56.531 56.531 57.045 -0.515 25716 8725 1 18 . 1 1 35 35 LEU CB C 35 41.338 41.338 42.032 -0.694 25716 8726 1 18 . 1 1 35 35 LEU H H 35 8.184 8.184 7.537 0.647 25716 8727 1 18 . 1 1 36 36 GLU N N 36 121.488 121.488 119.513 1.975 25716 8728 1 18 . 1 1 36 36 GLU HA H 36 4.118 4.118 4.144 -0.026 25716 8729 1 18 . 1 1 36 36 GLU C C 36 175.984 175.984 178.286 -2.302 25716 8730 1 18 . 1 1 36 36 GLU CA C 36 59.264 59.264 58.933 0.331 25716 8731 1 18 . 1 1 36 36 GLU CB C 36 29.608 29.608 29.207 0.401 25716 8732 1 18 . 1 1 36 36 GLU H H 36 7.857 7.857 8.168 -0.311 25716 8733 1 18 . 1 1 37 37 TRP N N 37 115.319 115.319 118.639 -3.320 25716 8734 1 18 . 1 1 37 37 TRP HA H 37 4.950 4.950 4.609 0.341 25716 8735 1 18 . 1 1 37 37 TRP C C 37 174.270 174.270 177.648 -3.378 25716 8736 1 18 . 1 1 37 37 TRP CA C 37 56.075 56.075 58.069 -1.994 25716 8737 1 18 . 1 1 37 37 TRP CB C 37 29.050 29.050 29.410 -0.360 25716 8738 1 18 . 1 1 37 37 TRP H H 37 8.180 8.180 7.992 0.188 25716 8739 1 18 . 1 1 38 38 GLY N N 38 106.793 106.793 106.906 -0.113 25716 8740 1 18 . 1 1 38 38 GLY C C 38 171.784 171.784 175.609 -3.825 25716 8741 1 18 . 1 1 38 38 GLY CA C 38 46.275 46.275 45.671 0.604 25716 8742 1 18 . 1 1 38 38 GLY H H 38 7.704 7.704 7.713 -0.009 25716 8743 1 18 . 1 1 39 39 ILE N N 39 120.597 120.597 114.456 6.141 25716 8744 1 18 . 1 1 39 39 ILE HA H 39 3.753 3.753 4.116 -0.363 25716 8745 1 18 . 1 1 39 39 ILE C C 39 174.148 174.148 175.266 -1.118 25716 8746 1 18 . 1 1 39 39 ILE CA C 39 63.934 63.934 62.476 1.458 25716 8747 1 18 . 1 1 39 39 ILE CB C 39 38.673 38.673 38.358 0.315 25716 8748 1 18 . 1 1 39 39 ILE H H 39 7.697 7.697 7.461 0.236 25716 8749 1 18 . 1 1 40 40 LEU N N 40 115.102 115.102 121.822 -6.720 25716 8750 1 18 . 1 1 40 40 LEU HA H 40 4.934 4.934 4.541 0.393 25716 8751 1 18 . 1 1 40 40 LEU C C 40 172.286 172.286 175.059 -2.773 25716 8752 1 18 . 1 1 40 40 LEU CA C 40 52.249 52.249 54.032 -1.783 25716 8753 1 18 . 1 1 40 40 LEU CB C 40 43.454 43.454 43.452 0.002 25716 8754 1 18 . 1 1 40 40 LEU H H 40 7.307 7.307 7.659 -0.352 25716 8755 1 18 . 1 1 41 41 ASN N N 41 117.306 117.306 118.696 -1.390 25716 8756 1 18 . 1 1 41 41 ASN HA H 41 4.589 4.589 4.663 -0.074 25716 8757 1 18 . 1 1 41 41 ASN C C 41 171.807 171.807 175.192 -3.385 25716 8758 1 18 . 1 1 41 41 ASN CA C 41 52.017 52.017 52.385 -0.368 25716 8759 1 18 . 1 1 41 41 ASN CB C 41 39.872 39.872 39.865 0.007 25716 8760 1 18 . 1 1 41 41 ASN H H 41 8.466 8.466 7.984 0.482 25716 8761 1 18 . 1 1 42 42 SER N N 42 113.236 113.236 113.895 -0.659 25716 8762 1 18 . 1 1 42 42 SER HA H 42 4.116 4.116 4.263 -0.147 25716 8763 1 18 . 1 1 42 42 SER C C 42 171.631 171.631 176.128 -4.497 25716 8764 1 18 . 1 1 42 42 SER CA C 42 60.951 60.951 61.077 -0.126 25716 8765 1 18 . 1 1 42 42 SER CB C 42 65.868 65.868 62.820 3.048 25716 8766 1 18 . 1 1 42 42 SER H H 42 9.138 9.138 8.534 0.604 25716 8767 1 18 . 1 1 43 43 MET N N 43 118.797 118.797 120.582 -1.785 25716 8768 1 18 . 1 1 43 43 MET HA H 43 4.467 4.467 4.340 0.127 25716 8769 1 18 . 1 1 43 43 MET CA C 43 57.429 57.429 57.272 0.157 25716 8770 1 18 . 1 1 43 43 MET CB C 43 32.494 32.494 32.611 -0.117 25716 8771 1 18 . 1 1 43 43 MET H H 43 8.292 8.292 7.666 0.626 25716 8772 1 18 . 1 1 44 44 ASN N N 44 117.701 117.701 117.013 0.688 25716 8773 1 18 . 1 1 44 44 ASN HA H 44 4.686 4.686 4.598 0.088 25716 8774 1 18 . 1 1 44 44 ASN C C 44 175.889 175.889 177.440 -1.551 25716 8775 1 18 . 1 1 44 44 ASN CA C 44 53.826 53.826 55.064 -1.238 25716 8776 1 18 . 1 1 44 44 ASN CB C 44 38.484 38.484 38.927 -0.443 25716 8777 1 18 . 1 1 44 44 ASN H H 44 8.299 8.299 8.206 0.093 25716 8778 1 18 . 1 1 45 45 ILE N N 45 122.124 122.124 121.462 0.662 25716 8779 1 18 . 1 1 45 45 ILE HA H 45 3.783 3.783 3.758 0.025 25716 8780 1 18 . 1 1 45 45 ILE C C 45 174.370 174.370 176.925 -2.555 25716 8781 1 18 . 1 1 45 45 ILE CA C 45 64.892 64.892 63.782 1.111 25716 8782 1 18 . 1 1 45 45 ILE CB C 45 37.778 37.778 37.610 0.168 25716 8783 1 18 . 1 1 45 45 ILE H H 45 8.417 8.417 7.887 0.530 25716 8784 1 18 . 1 1 46 46 VAL N N 46 120.176 120.176 114.862 5.314 25716 8785 1 18 . 1 1 46 46 VAL HA H 46 3.714 3.714 3.679 0.035 25716 8786 1 18 . 1 1 46 46 VAL C C 46 175.129 175.129 177.412 -2.283 25716 8787 1 18 . 1 1 46 46 VAL CA C 46 66.227 66.227 66.202 0.025 25716 8788 1 18 . 1 1 46 46 VAL CB C 46 31.294 31.294 31.148 0.146 25716 8789 1 18 . 1 1 46 46 VAL H H 46 7.394 7.394 7.981 -0.588 25716 8790 1 18 . 1 1 47 47 LYS N N 47 118.640 118.640 119.852 -1.212 25716 8791 1 18 . 1 1 47 47 LYS HA H 47 4.005 4.005 4.207 -0.202 25716 8792 1 18 . 1 1 47 47 LYS CA C 47 60.033 60.033 59.557 0.476 25716 8793 1 18 . 1 1 47 47 LYS CB C 47 32.093 32.093 32.124 -0.031 25716 8794 1 18 . 1 1 47 47 LYS H H 47 7.221 7.221 7.660 -0.439 25716 8795 1 18 . 1 1 48 48 LEU N N 48 119.812 119.812 120.795 -0.983 25716 8796 1 18 . 1 1 48 48 LEU HA H 48 4.261 4.261 4.222 0.039 25716 8797 1 18 . 1 1 48 48 LEU C C 48 175.105 175.105 178.911 -3.806 25716 8798 1 18 . 1 1 48 48 LEU CA C 48 57.717 57.717 58.117 -0.401 25716 8799 1 18 . 1 1 48 48 LEU CB C 48 41.683 41.683 42.018 -0.335 25716 8800 1 18 . 1 1 48 48 LEU H H 48 7.812 7.812 7.551 0.261 25716 8801 1 18 . 1 1 49 49 MET N N 49 118.031 118.031 117.209 0.822 25716 8802 1 18 . 1 1 49 49 MET HA H 49 3.919 3.919 4.181 -0.262 25716 8803 1 18 . 1 1 49 49 MET C C 49 176.673 176.673 179.101 -2.428 25716 8804 1 18 . 1 1 49 49 MET CA C 49 60.304 60.304 59.487 0.817 25716 8805 1 18 . 1 1 49 49 MET CB C 49 33.071 33.071 32.521 0.550 25716 8806 1 18 . 1 1 49 49 MET H H 49 8.583 8.583 8.247 0.336 25716 8807 1 18 . 1 1 50 50 VAL N N 50 122.370 122.370 116.498 5.872 25716 8808 1 18 . 1 1 50 50 VAL HA H 50 3.497 3.497 3.774 -0.277 25716 8809 1 18 . 1 1 50 50 VAL C C 50 173.639 173.639 177.166 -3.527 25716 8810 1 18 . 1 1 50 50 VAL CA C 50 67.182 67.182 66.118 1.064 25716 8811 1 18 . 1 1 50 50 VAL CB C 50 31.551 31.551 31.402 0.149 25716 8812 1 18 . 1 1 50 50 VAL H H 50 8.246 8.246 7.968 0.278 25716 8813 1 18 . 1 1 51 51 TYR N N 51 121.444 121.444 121.944 -0.500 25716 8814 1 18 . 1 1 51 51 TYR HA H 51 4.110 4.110 4.029 0.081 25716 8815 1 18 . 1 1 51 51 TYR C C 51 174.688 174.688 176.909 -2.221 25716 8816 1 18 . 1 1 51 51 TYR CA C 51 61.795 61.795 61.718 0.077 25716 8817 1 18 . 1 1 51 51 TYR CB C 51 38.036 38.036 38.389 -0.353 25716 8818 1 18 . 1 1 51 51 TYR H H 51 7.774 7.774 7.270 0.504 25716 8819 1 18 . 1 1 52 52 ILE N N 52 118.347 118.347 119.614 -1.267 25716 8820 1 18 . 1 1 52 52 ILE HA H 52 3.283 3.283 3.764 -0.481 25716 8821 1 18 . 1 1 52 52 ILE C C 52 175.421 175.421 178.252 -2.831 25716 8822 1 18 . 1 1 52 52 ILE CA C 52 65.477 65.477 63.757 1.720 25716 8823 1 18 . 1 1 52 52 ILE CB C 52 38.703 38.703 37.701 1.002 25716 8824 1 18 . 1 1 52 52 ILE H H 52 8.388 8.388 8.627 -0.239 25716 8825 1 18 . 1 1 53 53 ARG N N 53 121.323 121.323 119.926 1.397 25716 8826 1 18 . 1 1 53 53 ARG HA H 53 3.920 3.920 4.052 -0.132 25716 8827 1 18 . 1 1 53 53 ARG C C 53 176.463 176.463 178.015 -1.552 25716 8828 1 18 . 1 1 53 53 ARG CA C 53 59.458 59.458 59.529 -0.071 25716 8829 1 18 . 1 1 53 53 ARG CB C 53 30.296 30.296 29.964 0.332 25716 8830 1 18 . 1 1 53 53 ARG H H 53 7.831 7.831 7.869 -0.038 25716 8831 1 18 . 1 1 54 54 ASP N N 54 119.945 119.945 118.702 1.243 25716 8832 1 18 . 1 1 54 54 ASP HA H 54 4.319 4.319 4.454 -0.135 25716 8833 1 18 . 1 1 54 54 ASP C C 54 175.314 175.314 177.710 -2.396 25716 8834 1 18 . 1 1 54 54 ASP CA C 54 57.126 57.126 56.477 0.649 25716 8835 1 18 . 1 1 54 54 ASP CB C 54 40.074 40.074 41.107 -1.033 25716 8836 1 18 . 1 1 54 54 ASP H H 54 8.760 8.760 7.658 1.102 25716 8837 1 18 . 1 1 55 55 GLU N N 55 117.530 117.530 118.768 -1.238 25716 8838 1 18 . 1 1 55 55 GLU HA H 55 4.239 4.239 3.957 0.282 25716 8839 1 18 . 1 1 55 55 GLU C C 55 175.224 175.224 178.275 -3.051 25716 8840 1 18 . 1 1 55 55 GLU CA C 55 56.852 56.852 57.806 -0.954 25716 8841 1 18 . 1 1 55 55 GLU CB C 55 29.329 29.329 29.607 -0.278 25716 8842 1 18 . 1 1 55 55 GLU H H 55 8.701 8.701 8.153 0.548 25716 8843 1 18 . 1 1 56 56 MET N N 56 113.874 113.874 116.157 -2.283 25716 8844 1 18 . 1 1 56 56 MET HA H 56 4.566 4.566 4.297 0.269 25716 8845 1 18 . 1 1 56 56 MET C C 56 173.968 173.968 177.355 -3.387 25716 8846 1 18 . 1 1 56 56 MET CA C 56 55.539 55.539 56.924 -1.385 25716 8847 1 18 . 1 1 56 56 MET CB C 56 34.094 34.094 33.574 0.520 25716 8848 1 18 . 1 1 56 56 MET H H 56 7.464 7.464 7.629 -0.165 25716 8849 1 18 . 1 1 57 57 GLY N N 57 107.900 107.900 107.347 0.553 25716 8850 1 18 . 1 1 57 57 GLY C C 57 171.496 171.496 173.865 -2.369 25716 8851 1 18 . 1 1 57 57 GLY CA C 57 46.561 46.561 44.986 1.575 25716 8852 1 18 . 1 1 57 57 GLY H H 57 7.291 7.291 7.854 -0.563 25716 8853 1 18 . 1 1 58 58 VAL N N 58 117.126 117.126 119.475 -2.349 25716 8854 1 18 . 1 1 58 58 VAL HA H 58 4.283 4.283 4.225 0.058 25716 8855 1 18 . 1 1 58 58 VAL C C 58 171.116 171.116 174.695 -3.579 25716 8856 1 18 . 1 1 58 58 VAL CA C 58 60.487 60.487 60.897 -0.410 25716 8857 1 18 . 1 1 58 58 VAL CB C 58 34.837 34.837 33.028 1.809 25716 8858 1 18 . 1 1 58 58 VAL H H 58 6.970 6.970 7.540 -0.570 25716 8859 1 18 . 1 1 59 59 SER N N 59 122.188 122.188 122.878 -0.690 25716 8860 1 18 . 1 1 59 59 SER HA H 59 4.432 4.432 4.474 -0.042 25716 8861 1 18 . 1 1 59 59 SER C C 59 170.766 170.766 174.441 -3.675 25716 8862 1 18 . 1 1 59 59 SER CA C 59 56.563 56.563 57.344 -0.781 25716 8863 1 18 . 1 1 59 59 SER CB C 59 63.106 63.106 63.086 0.021 25716 8864 1 18 . 1 1 59 59 SER H H 59 8.609 8.609 8.434 0.175 25716 8865 1 18 . 1 1 60 60 ILE N N 60 128.230 128.230 129.748 -1.518 25716 8866 1 18 . 1 1 60 60 ILE HA H 60 4.033 4.033 4.291 -0.258 25716 8867 1 18 . 1 1 60 60 ILE CA C 60 58.127 58.127 58.672 -0.545 25716 8868 1 18 . 1 1 60 60 ILE CB C 60 38.217 38.217 37.533 0.684 25716 8869 1 18 . 1 1 60 60 ILE H H 60 8.257 8.257 8.256 0.001 25716 8870 1 18 . 1 1 61 61 PRO HA H 61 4.501 4.501 4.721 -0.220 25716 8871 1 18 . 1 1 61 61 PRO CA C 61 62.352 62.352 62.410 -0.058 25716 8872 1 18 . 1 1 61 61 PRO CB C 61 32.469 32.469 32.899 -0.430 25716 8873 1 18 . 1 1 62 62 SER HA H 62 4.058 4.058 4.166 -0.108 25716 8874 1 18 . 1 1 62 62 SER C C 62 173.269 173.269 176.692 -3.423 25716 8875 1 18 . 1 1 62 62 SER CA C 62 61.511 61.511 61.548 -0.037 25716 8876 1 18 . 1 1 62 62 SER CB C 62 62.646 62.646 62.698 -0.052 25716 8877 1 18 . 1 1 63 63 THR N N 63 110.178 110.178 116.631 -6.453 25716 8878 1 18 . 1 1 63 63 THR HA H 63 4.066 4.066 4.138 -0.072 25716 8879 1 18 . 1 1 63 63 THR C C 63 172.917 172.917 175.160 -2.243 25716 8880 1 18 . 1 1 63 63 THR CA C 63 63.007 63.007 64.462 -1.455 25716 8881 1 18 . 1 1 63 63 THR CB C 63 69.323 69.323 68.709 0.614 25716 8882 1 18 . 1 1 63 63 THR H H 63 7.307 7.307 8.101 -0.794 25716 8883 1 18 . 1 1 64 64 HIS N N 64 121.862 121.862 117.032 4.830 25716 8884 1 18 . 1 1 64 64 HIS HA H 64 4.495 4.495 4.673 -0.178 25716 8885 1 18 . 1 1 64 64 HIS C C 64 171.495 171.495 175.360 -3.865 25716 8886 1 18 . 1 1 64 64 HIS CA C 64 56.203 56.203 57.596 -1.393 25716 8887 1 18 . 1 1 64 64 HIS CB C 64 29.814 29.814 30.289 -0.475 25716 8888 1 18 . 1 1 64 64 HIS H H 64 8.132 8.132 7.771 0.361 25716 8889 1 18 . 1 1 65 65 ILE N N 65 118.536 118.536 121.507 -2.971 25716 8890 1 18 . 1 1 65 65 ILE HA H 65 4.165 4.165 4.412 -0.247 25716 8891 1 18 . 1 1 65 65 ILE C C 65 172.049 172.049 175.039 -2.990 25716 8892 1 18 . 1 1 65 65 ILE CA C 65 60.576 60.576 61.498 -0.922 25716 8893 1 18 . 1 1 65 65 ILE CB C 65 35.561 35.561 37.569 -2.008 25716 8894 1 18 . 1 1 65 65 ILE H H 65 7.223 7.223 7.460 -0.237 25716 8895 1 18 . 1 1 66 66 THR N N 66 114.529 114.529 122.337 -7.808 25716 8896 1 18 . 1 1 66 66 THR HA H 66 4.635 4.635 4.536 0.099 25716 8897 1 18 . 1 1 66 66 THR C C 66 172.176 172.176 175.105 -2.929 25716 8898 1 18 . 1 1 66 66 THR CA C 66 59.827 59.827 60.660 -0.833 25716 8899 1 18 . 1 1 66 66 THR CB C 66 70.679 70.679 71.708 -1.029 25716 8900 1 18 . 1 1 66 66 THR H H 66 7.943 7.943 8.329 -0.386 25716 8901 1 18 . 1 1 67 67 GLY N N 67 109.454 109.454 110.325 -0.871 25716 8902 1 18 . 1 1 67 67 GLY C C 67 172.080 172.080 174.504 -2.424 25716 8903 1 18 . 1 1 67 67 GLY CA C 67 47.245 47.245 45.939 1.306 25716 8904 1 18 . 1 1 67 67 GLY H H 67 8.736 8.736 8.749 -0.013 25716 8905 1 18 . 1 1 68 68 LYS N N 68 118.551 118.551 121.281 -2.730 25716 8906 1 18 . 1 1 68 68 LYS HA H 68 3.851 3.851 4.157 -0.306 25716 8907 1 18 . 1 1 68 68 LYS C C 68 174.455 174.455 177.443 -2.988 25716 8908 1 18 . 1 1 68 68 LYS CA C 68 58.697 58.697 58.128 0.569 25716 8909 1 18 . 1 1 68 68 LYS CB C 68 32.350 32.350 32.816 -0.466 25716 8910 1 18 . 1 1 68 68 LYS H H 68 7.968 7.968 7.530 0.438 25716 8911 1 18 . 1 1 69 69 TYR N N 69 115.203 115.203 117.238 -2.035 25716 8912 1 18 . 1 1 69 69 TYR HA H 69 4.213 4.213 4.330 -0.117 25716 8913 1 18 . 1 1 69 69 TYR C C 69 171.772 171.772 178.102 -6.330 25716 8914 1 18 . 1 1 69 69 TYR CA C 69 59.212 59.212 59.921 -0.709 25716 8915 1 18 . 1 1 69 69 TYR CB C 69 38.555 38.555 39.031 -0.476 25716 8916 1 18 . 1 1 69 69 TYR H H 69 6.826 6.826 7.480 -0.654 25716 8917 1 18 . 1 1 70 70 PHE N N 70 112.140 112.140 116.049 -3.909 25716 8918 1 18 . 1 1 70 70 PHE HA H 70 4.629 4.629 4.516 0.113 25716 8919 1 18 . 1 1 70 70 PHE C C 70 171.998 171.998 177.110 -5.112 25716 8920 1 18 . 1 1 70 70 PHE CA C 70 57.245 57.245 59.334 -2.089 25716 8921 1 18 . 1 1 70 70 PHE CB C 70 40.329 40.329 38.234 2.095 25716 8922 1 18 . 1 1 70 70 PHE H H 70 7.327 7.327 8.217 -0.890 25716 8923 1 18 . 1 1 71 71 LYS N N 71 113.603 113.603 120.423 -6.820 25716 8924 1 18 . 1 1 71 71 LYS HA H 71 3.875 3.875 4.082 -0.207 25716 8925 1 18 . 1 1 71 71 LYS C C 71 172.963 172.963 175.762 -2.799 25716 8926 1 18 . 1 1 71 71 LYS CA C 71 59.667 59.667 58.728 0.939 25716 8927 1 18 . 1 1 71 71 LYS CB C 71 33.074 33.074 32.813 0.261 25716 8928 1 18 . 1 1 71 71 LYS H H 71 6.925 6.925 8.164 -1.239 25716 8929 1 18 . 1 1 72 72 ASP N N 72 110.434 110.434 115.229 -4.795 25716 8930 1 18 . 1 1 72 72 ASP HA H 72 4.441 4.441 5.035 -0.594 25716 8931 1 18 . 1 1 72 72 ASP C C 72 172.750 172.750 176.317 -3.567 25716 8932 1 18 . 1 1 72 72 ASP CA C 72 52.378 52.378 52.929 -0.551 25716 8933 1 18 . 1 1 72 72 ASP CB C 72 42.426 42.426 44.827 -2.401 25716 8934 1 18 . 1 1 72 72 ASP H H 72 7.363 7.363 7.452 -0.089 25716 8935 1 18 . 1 1 73 73 LEU N N 73 120.273 120.273 121.465 -1.192 25716 8936 1 18 . 1 1 73 73 LEU HA H 73 3.920 3.920 4.188 -0.268 25716 8937 1 18 . 1 1 73 73 LEU C C 73 176.648 176.648 177.797 -1.149 25716 8938 1 18 . 1 1 73 73 LEU CA C 73 58.120 58.120 55.972 2.148 25716 8939 1 18 . 1 1 73 73 LEU CB C 73 42.574 42.574 42.406 0.168 25716 8940 1 18 . 1 1 73 73 LEU H H 73 9.983 9.983 8.325 1.658 25716 8941 1 18 . 1 1 74 74 ASN N N 74 119.506 119.506 118.698 0.808 25716 8942 1 18 . 1 1 74 74 ASN HA H 74 4.405 4.405 4.320 0.085 25716 8943 1 18 . 1 1 74 74 ASN C C 74 174.659 174.659 177.108 -2.449 25716 8944 1 18 . 1 1 74 74 ASN CA C 74 56.287 56.287 56.924 -0.637 25716 8945 1 18 . 1 1 74 74 ASN CB C 74 37.579 37.579 38.307 -0.728 25716 8946 1 18 . 1 1 74 74 ASN H H 74 7.893 7.893 7.968 -0.075 25716 8947 1 18 . 1 1 75 75 ALA N N 75 125.068 125.068 122.721 2.347 25716 8948 1 18 . 1 1 75 75 ALA HA H 75 4.097 4.097 4.259 -0.162 25716 8949 1 18 . 1 1 75 75 ALA C C 75 177.809 177.809 179.647 -1.838 25716 8950 1 18 . 1 1 75 75 ALA CA C 75 55.365 55.365 54.606 0.759 25716 8951 1 18 . 1 1 75 75 ALA CB C 75 18.572 18.572 18.433 0.140 25716 8952 1 18 . 1 1 75 75 ALA H H 75 8.951 8.951 7.307 1.644 25716 8953 1 18 . 1 1 76 76 ILE N N 76 119.561 119.561 118.316 1.245 25716 8954 1 18 . 1 1 76 76 ILE HA H 76 3.615 3.615 3.304 0.311 25716 8955 1 18 . 1 1 76 76 ILE C C 76 175.344 175.344 177.475 -2.131 25716 8956 1 18 . 1 1 76 76 ILE CA C 76 65.272 65.272 64.945 0.327 25716 8957 1 18 . 1 1 76 76 ILE CB C 76 39.056 39.056 37.595 1.461 25716 8958 1 18 . 1 1 76 76 ILE H H 76 8.386 8.386 7.831 0.555 25716 8959 1 18 . 1 1 77 77 SER N N 77 114.090 114.090 115.983 -1.893 25716 8960 1 18 . 1 1 77 77 SER HA H 77 3.878 3.878 4.135 -0.257 25716 8961 1 18 . 1 1 77 77 SER C C 77 173.592 173.592 176.352 -2.760 25716 8962 1 18 . 1 1 77 77 SER CA C 77 62.733 62.733 61.684 1.049 25716 8963 1 18 . 1 1 77 77 SER CB C 77 62.864 62.864 63.060 -0.196 25716 8964 1 18 . 1 1 77 77 SER H H 77 8.250 8.250 8.021 0.229 25716 8965 1 18 . 1 1 78 78 ARG N N 78 121.670 121.670 118.497 3.173 25716 8966 1 18 . 1 1 78 78 ARG HA H 78 4.129 4.129 4.380 -0.251 25716 8967 1 18 . 1 1 78 78 ARG C C 78 176.111 176.111 178.504 -2.393 25716 8968 1 18 . 1 1 78 78 ARG CA C 78 59.328 59.328 58.767 0.562 25716 8969 1 18 . 1 1 78 78 ARG CB C 78 29.814 29.814 29.384 0.429 25716 8970 1 18 . 1 1 78 78 ARG H H 78 8.086 8.086 7.761 0.325 25716 8971 1 18 . 1 1 79 79 THR N N 79 118.928 118.928 115.187 3.741 25716 8972 1 18 . 1 1 79 79 THR HA H 79 4.525 4.525 3.983 0.542 25716 8973 1 18 . 1 1 79 79 THR C C 79 173.364 173.364 175.929 -2.565 25716 8974 1 18 . 1 1 79 79 THR CA C 79 68.289 68.289 65.240 3.049 25716 8975 1 18 . 1 1 79 79 THR CB C 79 67.268 67.268 67.982 -0.714 25716 8976 1 18 . 1 1 79 79 THR H H 79 8.351 8.351 7.353 0.998 25716 8977 1 18 . 1 1 80 80 VAL N N 80 120.643 120.643 121.579 -0.936 25716 8978 1 18 . 1 1 80 80 VAL HA H 80 3.339 3.339 3.467 -0.128 25716 8979 1 18 . 1 1 80 80 VAL C C 80 174.438 174.438 177.653 -3.215 25716 8980 1 18 . 1 1 80 80 VAL CA C 80 67.603 67.603 66.618 0.985 25716 8981 1 18 . 1 1 80 80 VAL CB C 80 31.532 31.532 31.551 -0.019 25716 8982 1 18 . 1 1 80 80 VAL H H 80 8.242 8.242 7.672 0.570 25716 8983 1 18 . 1 1 81 81 GLU N N 81 118.067 118.067 119.368 -1.301 25716 8984 1 18 . 1 1 81 81 GLU HA H 81 3.943 3.943 3.894 0.049 25716 8985 1 18 . 1 1 81 81 GLU C C 81 176.961 176.961 178.956 -1.995 25716 8986 1 18 . 1 1 81 81 GLU CA C 81 59.974 59.974 59.635 0.339 25716 8987 1 18 . 1 1 81 81 GLU CB C 81 29.817 29.817 29.262 0.555 25716 8988 1 18 . 1 1 81 81 GLU H H 81 8.296 8.296 8.164 0.132 25716 8989 1 18 . 1 1 82 82 GLN N N 82 119.947 119.947 119.513 0.434 25716 8990 1 18 . 1 1 82 82 GLN HA H 82 4.110 4.110 4.132 -0.022 25716 8991 1 18 . 1 1 82 82 GLN C C 82 176.023 176.023 178.306 -2.283 25716 8992 1 18 . 1 1 82 82 GLN CA C 82 58.991 58.991 58.179 0.812 25716 8993 1 18 . 1 1 82 82 GLN CB C 82 28.136 28.136 28.348 -0.212 25716 8994 1 18 . 1 1 82 82 GLN H H 82 8.444 8.444 7.548 0.896 25716 8995 1 18 . 1 1 83 83 LEU N N 83 119.916 119.916 120.064 -0.148 25716 8996 1 18 . 1 1 83 83 LEU HA H 83 4.075 4.075 4.164 -0.089 25716 8997 1 18 . 1 1 83 83 LEU C C 83 177.753 177.753 179.352 -1.599 25716 8998 1 18 . 1 1 83 83 LEU CA C 83 57.453 57.453 57.371 0.082 25716 8999 1 18 . 1 1 83 83 LEU CB C 83 41.673 41.673 41.222 0.451 25716 9000 1 18 . 1 1 83 83 LEU H H 83 8.149 8.149 8.245 -0.096 25716 9001 1 18 . 1 1 84 84 LYS N N 84 121.059 121.059 120.161 0.898 25716 9002 1 18 . 1 1 84 84 LYS HA H 84 3.951 3.951 3.882 0.069 25716 9003 1 18 . 1 1 84 84 LYS C C 84 176.055 176.055 178.401 -2.346 25716 9004 1 18 . 1 1 84 84 LYS CA C 84 59.328 59.328 59.705 -0.377 25716 9005 1 18 . 1 1 84 84 LYS CB C 84 32.291 32.291 32.226 0.065 25716 9006 1 18 . 1 1 84 84 LYS H H 84 8.373 8.373 7.929 0.444 25716 9007 1 18 . 1 1 85 85 ALA N N 85 122.134 122.134 121.165 0.969 25716 9008 1 18 . 1 1 85 85 ALA HA H 85 4.188 4.188 4.128 0.060 25716 9009 1 18 . 1 1 85 85 ALA C C 85 177.240 177.240 179.875 -2.635 25716 9010 1 18 . 1 1 85 85 ALA CA C 85 54.423 54.423 54.823 -0.400 25716 9011 1 18 . 1 1 85 85 ALA CB C 85 18.193 18.193 18.173 0.020 25716 9012 1 18 . 1 1 85 85 ALA H H 85 7.854 7.854 7.389 0.465 25716 9013 1 18 . 1 1 86 86 GLU N N 86 117.813 117.813 118.591 -0.778 25716 9014 1 18 . 1 1 86 86 GLU HA H 86 4.115 4.115 4.001 0.114 25716 9015 1 18 . 1 1 86 86 GLU C C 86 175.547 175.547 179.284 -3.737 25716 9016 1 18 . 1 1 86 86 GLU CA C 86 58.199 58.199 59.277 -1.078 25716 9017 1 18 . 1 1 86 86 GLU CB C 86 29.841 29.841 29.610 0.230 25716 9018 1 18 . 1 1 86 86 GLU H H 86 8.059 8.059 8.342 -0.283 25716 9019 1 18 . 1 1 87 87 SER N N 87 114.771 114.771 113.615 1.156 25716 9020 1 18 . 1 1 87 87 SER HA H 87 4.362 4.362 4.546 -0.184 25716 9021 1 18 . 1 1 87 87 SER C C 87 172.405 172.405 175.422 -3.017 25716 9022 1 18 . 1 1 87 87 SER CA C 87 59.806 59.806 60.382 -0.576 25716 9023 1 18 . 1 1 87 87 SER CB C 87 63.528 63.528 63.054 0.474 25716 9024 1 18 . 1 1 87 87 SER H H 87 7.908 7.908 7.966 -0.058 25716 9025 1 18 . 1 1 88 88 ALA N N 88 124.277 124.277 123.674 0.603 25716 9026 1 18 . 1 1 88 88 ALA HA H 88 4.284 4.284 4.211 0.073 25716 9027 1 18 . 1 1 88 88 ALA C C 88 175.489 175.489 178.554 -3.065 25716 9028 1 18 . 1 1 88 88 ALA CA C 88 53.087 53.087 54.402 -1.315 25716 9029 1 18 . 1 1 88 88 ALA CB C 88 18.792 18.792 19.181 -0.389 25716 9030 1 18 . 1 1 88 88 ALA H H 88 7.812 7.812 7.629 0.183 25716 9031 1 18 . 1 1 89 89 LEU N N 89 119.411 119.411 118.741 0.670 25716 9032 1 18 . 1 1 89 89 LEU HA H 89 4.219 4.219 4.408 -0.189 25716 9033 1 18 . 1 1 89 89 LEU C C 89 175.025 175.025 178.135 -3.110 25716 9034 1 18 . 1 1 89 89 LEU CA C 89 55.608 55.608 55.102 0.506 25716 9035 1 18 . 1 1 89 89 LEU CB C 89 42.213 42.213 41.970 0.243 25716 9036 1 18 . 1 1 89 89 LEU H H 89 7.769 7.769 7.991 -0.222 25716 9037 1 19 . 1 1 2 2 ASP HA H 2 4.704 4.704 4.892 -0.188 25716 9038 1 19 . 1 1 2 2 ASP C C 2 173.822 173.822 177.290 -3.468 25716 9039 1 19 . 1 1 2 2 ASP CA C 2 54.130 54.130 53.941 0.188 25716 9040 1 19 . 1 1 2 2 ASP CB C 2 41.601 41.601 43.173 -1.572 25716 9041 1 19 . 1 1 3 3 GLY N N 3 109.376 109.376 108.852 0.524 25716 9042 1 19 . 1 1 3 3 GLY C C 3 172.786 172.786 175.968 -3.182 25716 9043 1 19 . 1 1 3 3 GLY CA C 3 46.704 46.704 47.312 -0.608 25716 9044 1 19 . 1 1 3 3 GLY H H 3 8.712 8.712 8.602 0.110 25716 9045 1 19 . 1 1 4 4 GLU N N 4 120.623 120.623 120.341 0.282 25716 9046 1 19 . 1 1 4 4 GLU HA H 4 4.207 4.207 3.971 0.236 25716 9047 1 19 . 1 1 4 4 GLU C C 4 175.198 175.198 178.757 -3.559 25716 9048 1 19 . 1 1 4 4 GLU CA C 4 58.159 58.159 58.952 -0.792 25716 9049 1 19 . 1 1 4 4 GLU CB C 4 29.793 29.793 29.179 0.614 25716 9050 1 19 . 1 1 4 4 GLU H H 4 8.280 8.280 8.138 0.142 25716 9051 1 19 . 1 1 5 5 GLU N N 5 121.684 121.684 120.627 1.057 25716 9052 1 19 . 1 1 5 5 GLU HA H 5 4.173 4.173 4.174 -0.001 25716 9053 1 19 . 1 1 5 5 GLU C C 5 175.720 175.720 178.796 -3.076 25716 9054 1 19 . 1 1 5 5 GLU CA C 5 58.648 58.648 59.178 -0.530 25716 9055 1 19 . 1 1 5 5 GLU CB C 5 29.819 29.819 29.495 0.324 25716 9056 1 19 . 1 1 5 5 GLU H H 5 8.254 8.254 8.068 0.186 25716 9057 1 19 . 1 1 6 6 VAL N N 6 120.195 120.195 119.188 1.007 25716 9058 1 19 . 1 1 6 6 VAL HA H 6 3.594 3.594 3.631 -0.037 25716 9059 1 19 . 1 1 6 6 VAL C C 6 174.638 174.638 178.423 -3.785 25716 9060 1 19 . 1 1 6 6 VAL CA C 6 66.621 66.621 66.957 -0.336 25716 9061 1 19 . 1 1 6 6 VAL CB C 6 32.041 32.041 31.502 0.539 25716 9062 1 19 . 1 1 6 6 VAL H H 6 8.137 8.137 7.917 0.220 25716 9063 1 19 . 1 1 7 7 LYS N N 7 118.688 118.688 118.797 -0.109 25716 9064 1 19 . 1 1 7 7 LYS HA H 7 3.776 3.776 3.964 -0.188 25716 9065 1 19 . 1 1 7 7 LYS C C 7 175.192 175.192 178.955 -3.763 25716 9066 1 19 . 1 1 7 7 LYS CA C 7 60.903 60.903 60.106 0.797 25716 9067 1 19 . 1 1 7 7 LYS CB C 7 32.251 32.251 32.201 0.050 25716 9068 1 19 . 1 1 7 7 LYS H H 7 8.099 8.099 7.428 0.671 25716 9069 1 19 . 1 1 8 8 GLU N N 8 117.138 117.138 119.004 -1.866 25716 9070 1 19 . 1 1 8 8 GLU HA H 8 4.188 4.188 4.019 0.169 25716 9071 1 19 . 1 1 8 8 GLU C C 8 176.405 176.405 178.918 -2.513 25716 9072 1 19 . 1 1 8 8 GLU CA C 8 58.635 58.635 59.181 -0.546 25716 9073 1 19 . 1 1 8 8 GLU CB C 8 29.149 29.149 29.192 -0.043 25716 9074 1 19 . 1 1 8 8 GLU H H 8 7.875 7.875 8.086 -0.211 25716 9075 1 19 . 1 1 9 9 LYS N N 9 119.639 119.639 119.973 -0.334 25716 9076 1 19 . 1 1 9 9 LYS HA H 9 4.072 4.072 4.088 -0.016 25716 9077 1 19 . 1 1 9 9 LYS C C 9 177.376 177.376 179.272 -1.896 25716 9078 1 19 . 1 1 9 9 LYS CA C 9 59.994 59.994 59.738 0.256 25716 9079 1 19 . 1 1 9 9 LYS CB C 9 32.471 32.471 32.472 -0.001 25716 9080 1 19 . 1 1 9 9 LYS H H 9 8.102 8.102 8.138 -0.036 25716 9081 1 19 . 1 1 10 10 ILE N N 10 119.456 119.456 118.720 0.736 25716 9082 1 19 . 1 1 10 10 ILE HA H 10 3.713 3.713 3.691 0.022 25716 9083 1 19 . 1 1 10 10 ILE C C 10 174.153 174.153 177.717 -3.564 25716 9084 1 19 . 1 1 10 10 ILE CA C 10 65.549 65.549 65.448 0.101 25716 9085 1 19 . 1 1 10 10 ILE CB C 10 37.522 37.522 37.892 -0.369 25716 9086 1 19 . 1 1 10 10 ILE H H 10 8.210 8.210 7.571 0.639 25716 9087 1 19 . 1 1 11 11 ARG N N 11 121.172 121.172 119.280 1.892 25716 9088 1 19 . 1 1 11 11 ARG HA H 11 3.608 3.608 3.997 -0.389 25716 9089 1 19 . 1 1 11 11 ARG C C 11 174.925 174.925 178.323 -3.398 25716 9090 1 19 . 1 1 11 11 ARG CA C 11 60.617 60.617 58.668 1.949 25716 9091 1 19 . 1 1 11 11 ARG CB C 11 30.480 30.480 28.947 1.533 25716 9092 1 19 . 1 1 11 11 ARG H H 11 8.851 8.851 7.758 1.093 25716 9093 1 19 . 1 1 12 12 ARG N N 12 116.578 116.578 120.318 -3.740 25716 9094 1 19 . 1 1 12 12 ARG HA H 12 3.935 3.935 4.094 -0.159 25716 9095 1 19 . 1 1 12 12 ARG C C 12 174.817 174.817 178.619 -3.802 25716 9096 1 19 . 1 1 12 12 ARG CA C 12 59.162 59.162 59.572 -0.410 25716 9097 1 19 . 1 1 12 12 ARG CB C 12 29.476 29.476 29.905 -0.429 25716 9098 1 19 . 1 1 12 12 ARG H H 12 8.126 8.126 7.768 0.358 25716 9099 1 19 . 1 1 13 13 TYR N N 13 119.994 119.994 121.260 -1.266 25716 9100 1 19 . 1 1 13 13 TYR HA H 13 4.047 4.047 4.122 -0.075 25716 9101 1 19 . 1 1 13 13 TYR C C 13 175.273 175.273 177.378 -2.105 25716 9102 1 19 . 1 1 13 13 TYR CA C 13 61.856 61.856 60.800 1.056 25716 9103 1 19 . 1 1 13 13 TYR CB C 13 38.459 38.459 37.820 0.639 25716 9104 1 19 . 1 1 13 13 TYR H H 13 7.758 7.758 7.616 0.142 25716 9105 1 19 . 1 1 14 14 ILE N N 14 117.754 117.754 119.600 -1.846 25716 9106 1 19 . 1 1 14 14 ILE HA H 14 3.239 3.239 3.414 -0.175 25716 9107 1 19 . 1 1 14 14 ILE C C 14 175.425 175.425 177.368 -1.943 25716 9108 1 19 . 1 1 14 14 ILE CA C 14 65.826 65.826 65.357 0.469 25716 9109 1 19 . 1 1 14 14 ILE CB C 14 37.782 37.782 37.543 0.239 25716 9110 1 19 . 1 1 14 14 ILE H H 14 8.464 8.464 7.663 0.801 25716 9111 1 19 . 1 1 15 15 MET N N 15 116.173 116.173 118.233 -2.060 25716 9112 1 19 . 1 1 15 15 MET HA H 15 3.939 3.939 4.033 -0.094 25716 9113 1 19 . 1 1 15 15 MET C C 15 174.676 174.676 178.179 -3.503 25716 9114 1 19 . 1 1 15 15 MET CA C 15 59.276 59.276 59.386 -0.111 25716 9115 1 19 . 1 1 15 15 MET CB C 15 32.885 32.885 32.326 0.559 25716 9116 1 19 . 1 1 15 15 MET H H 15 8.265 8.265 7.482 0.783 25716 9117 1 19 . 1 1 16 16 GLU N N 16 116.398 116.398 118.369 -1.971 25716 9118 1 19 . 1 1 16 16 GLU HA H 16 3.980 3.980 4.038 -0.058 25716 9119 1 19 . 1 1 16 16 GLU C C 16 175.158 175.158 179.026 -3.868 25716 9120 1 19 . 1 1 16 16 GLU CA C 16 58.767 58.767 58.785 -0.018 25716 9121 1 19 . 1 1 16 16 GLU CB C 16 30.078 30.078 29.407 0.671 25716 9122 1 19 . 1 1 16 16 GLU H H 16 8.619 8.619 7.816 0.803 25716 9123 1 19 . 1 1 17 17 ASP N N 17 116.973 116.973 118.757 -1.784 25716 9124 1 19 . 1 1 17 17 ASP HA H 17 4.591 4.591 4.395 0.196 25716 9125 1 19 . 1 1 17 17 ASP C C 17 174.240 174.240 178.390 -4.150 25716 9126 1 19 . 1 1 17 17 ASP CA C 17 55.438 55.438 56.019 -0.581 25716 9127 1 19 . 1 1 17 17 ASP CB C 17 42.657 42.657 40.731 1.926 25716 9128 1 19 . 1 1 17 17 ASP H H 17 8.119 8.119 7.697 0.422 25716 9129 1 19 . 1 1 18 18 LEU N N 18 115.667 115.667 119.923 -4.256 25716 9130 1 19 . 1 1 18 18 LEU HA H 18 4.488 4.488 4.048 0.440 25716 9131 1 19 . 1 1 18 18 LEU C C 18 175.062 175.062 178.198 -3.136 25716 9132 1 19 . 1 1 18 18 LEU CA C 18 56.075 56.075 57.390 -1.315 25716 9133 1 19 . 1 1 18 18 LEU CB C 18 41.096 41.096 42.189 -1.093 25716 9134 1 19 . 1 1 18 18 LEU H H 18 7.162 7.162 7.257 -0.095 25716 9135 1 19 . 1 1 19 19 ILE N N 19 120.763 120.763 115.555 5.208 25716 9136 1 19 . 1 1 19 19 ILE HA H 19 3.979 3.979 4.074 -0.095 25716 9137 1 19 . 1 1 19 19 ILE C C 19 174.557 174.557 176.927 -2.370 25716 9138 1 19 . 1 1 19 19 ILE CA C 19 63.809 63.809 62.395 1.414 25716 9139 1 19 . 1 1 19 19 ILE CB C 19 38.044 38.044 38.959 -0.915 25716 9140 1 19 . 1 1 19 19 ILE H H 19 8.017 8.017 8.120 -0.103 25716 9141 1 19 . 1 1 20 20 GLY N N 20 108.619 108.619 106.575 2.044 25716 9142 1 19 . 1 1 20 20 GLY CA C 20 44.560 44.560 45.214 -0.654 25716 9143 1 19 . 1 1 20 20 GLY H H 20 8.126 8.126 7.743 0.383 25716 9144 1 19 . 1 1 21 21 PRO HA H 21 4.385 4.385 4.545 -0.160 25716 9145 1 19 . 1 1 21 21 PRO C C 21 174.855 174.855 177.350 -2.495 25716 9146 1 19 . 1 1 21 21 PRO CA C 21 64.406 64.406 64.220 0.186 25716 9147 1 19 . 1 1 21 21 PRO CB C 21 32.027 32.027 31.774 0.253 25716 9148 1 19 . 1 1 22 22 SER N N 22 114.165 114.165 113.295 0.870 25716 9149 1 19 . 1 1 22 22 SER HA H 22 4.394 4.394 4.421 -0.027 25716 9150 1 19 . 1 1 22 22 SER C C 22 171.708 171.708 173.600 -1.892 25716 9151 1 19 . 1 1 22 22 SER CA C 22 58.871 58.871 58.014 0.857 25716 9152 1 19 . 1 1 22 22 SER CB C 22 63.473 63.473 62.285 1.188 25716 9153 1 19 . 1 1 22 22 SER H H 22 8.279 8.279 8.428 -0.149 25716 9154 1 19 . 1 1 23 23 ALA N N 23 125.151 125.151 124.548 0.603 25716 9155 1 19 . 1 1 23 23 ALA HA H 23 4.250 4.250 4.606 -0.356 25716 9156 1 19 . 1 1 23 23 ALA C C 23 174.903 174.903 176.292 -1.389 25716 9157 1 19 . 1 1 23 23 ALA CA C 23 52.851 52.851 50.901 1.950 25716 9158 1 19 . 1 1 23 23 ALA CB C 23 19.376 19.376 19.273 0.103 25716 9159 1 19 . 1 1 23 23 ALA H H 23 8.040 8.040 7.226 0.814 25716 9160 1 19 . 1 1 24 24 LYS N N 24 120.823 120.823 122.296 -1.473 25716 9161 1 19 . 1 1 24 24 LYS HA H 24 4.346 4.346 4.256 0.090 25716 9162 1 19 . 1 1 24 24 LYS C C 24 174.522 174.522 178.336 -3.814 25716 9163 1 19 . 1 1 24 24 LYS CA C 24 55.938 55.938 55.148 0.790 25716 9164 1 19 . 1 1 24 24 LYS CB C 24 33.187 33.187 32.754 0.433 25716 9165 1 19 . 1 1 24 24 LYS H H 24 8.306 8.306 8.235 0.071 25716 9166 1 19 . 1 1 25 25 GLU N N 25 121.186 121.186 119.917 1.269 25716 9167 1 19 . 1 1 25 25 GLU HA H 25 4.114 4.114 4.096 0.018 25716 9168 1 19 . 1 1 25 25 GLU C C 25 173.808 173.808 176.350 -2.542 25716 9169 1 19 . 1 1 25 25 GLU CA C 25 58.023 58.023 58.658 -0.635 25716 9170 1 19 . 1 1 25 25 GLU CB C 25 29.769 29.769 29.580 0.189 25716 9171 1 19 . 1 1 25 25 GLU H H 25 8.569 8.569 8.765 -0.196 25716 9172 1 19 . 1 1 26 26 ASP N N 26 117.111 117.111 115.882 1.229 25716 9173 1 19 . 1 1 26 26 ASP HA H 26 4.569 4.569 4.750 -0.181 25716 9174 1 19 . 1 1 26 26 ASP C C 26 173.265 173.265 175.336 -2.071 25716 9175 1 19 . 1 1 26 26 ASP CA C 26 54.061 54.061 54.109 -0.048 25716 9176 1 19 . 1 1 26 26 ASP CB C 26 40.742 40.742 40.809 -0.067 25716 9177 1 19 . 1 1 26 26 ASP H H 26 8.139 8.139 7.926 0.213 25716 9178 1 19 . 1 1 27 27 GLU N N 27 118.932 118.932 119.743 -0.811 25716 9179 1 19 . 1 1 27 27 GLU HA H 27 4.239 4.239 4.501 -0.262 25716 9180 1 19 . 1 1 27 27 GLU C C 27 172.838 172.838 176.227 -3.389 25716 9181 1 19 . 1 1 27 27 GLU CA C 27 56.645 56.645 57.843 -1.198 25716 9182 1 19 . 1 1 27 27 GLU CB C 27 30.703 30.703 31.137 -0.434 25716 9183 1 19 . 1 1 27 27 GLU H H 27 7.859 7.859 7.993 -0.134 25716 9184 1 19 . 1 1 28 28 LEU N N 28 121.726 121.726 119.794 1.932 25716 9185 1 19 . 1 1 28 28 LEU HA H 28 4.570 4.570 4.024 0.546 25716 9186 1 19 . 1 1 28 28 LEU C C 28 172.438 172.438 175.815 -3.377 25716 9187 1 19 . 1 1 28 28 LEU CA C 28 54.503 54.503 55.078 -0.575 25716 9188 1 19 . 1 1 28 28 LEU CB C 28 43.342 43.342 41.309 2.033 25716 9189 1 19 . 1 1 28 28 LEU H H 28 7.671 7.671 8.145 -0.474 25716 9190 1 19 . 1 1 29 29 ASP N N 29 126.685 126.685 123.089 3.596 25716 9191 1 19 . 1 1 29 29 ASP HA H 29 4.822 4.822 4.824 -0.002 25716 9192 1 19 . 1 1 29 29 ASP C C 29 173.732 173.732 176.305 -2.573 25716 9193 1 19 . 1 1 29 29 ASP CA C 29 52.855 52.855 53.441 -0.586 25716 9194 1 19 . 1 1 29 29 ASP CB C 29 43.124 43.124 44.998 -1.874 25716 9195 1 19 . 1 1 29 29 ASP H H 29 8.950 8.950 7.846 1.104 25716 9196 1 19 . 1 1 30 30 ASP N N 30 120.317 120.317 119.329 0.988 25716 9197 1 19 . 1 1 30 30 ASP HA H 30 4.247 4.247 4.353 -0.106 25716 9198 1 19 . 1 1 30 30 ASP C C 30 172.143 172.143 176.164 -4.021 25716 9199 1 19 . 1 1 30 30 ASP CA C 30 57.352 57.352 56.767 0.585 25716 9200 1 19 . 1 1 30 30 ASP CB C 30 40.160 40.160 41.140 -0.980 25716 9201 1 19 . 1 1 30 30 ASP H H 30 8.500 8.500 8.722 -0.222 25716 9202 1 19 . 1 1 31 31 GLN N N 31 111.109 111.109 114.213 -3.104 25716 9203 1 19 . 1 1 31 31 GLN HA H 31 4.590 4.590 4.499 0.091 25716 9204 1 19 . 1 1 31 31 GLN C C 31 174.343 174.343 175.514 -1.171 25716 9205 1 19 . 1 1 31 31 GLN CA C 31 54.437 54.437 54.358 0.079 25716 9206 1 19 . 1 1 31 31 GLN CB C 31 30.038 30.038 29.622 0.416 25716 9207 1 19 . 1 1 31 31 GLN H H 31 8.234 8.234 7.868 0.366 25716 9208 1 19 . 1 1 32 32 THR N N 32 123.333 123.333 119.871 3.462 25716 9209 1 19 . 1 1 32 32 THR HA H 32 3.856 3.856 4.426 -0.570 25716 9210 1 19 . 1 1 32 32 THR CA C 32 62.805 62.805 61.413 1.392 25716 9211 1 19 . 1 1 32 32 THR CB C 32 69.907 69.907 69.269 0.638 25716 9212 1 19 . 1 1 32 32 THR H H 32 7.663 7.663 7.263 0.400 25716 9213 1 19 . 1 1 33 33 PRO HA H 33 4.823 4.823 4.945 -0.122 25716 9214 1 19 . 1 1 33 33 PRO C C 33 172.190 172.190 177.518 -5.328 25716 9215 1 19 . 1 1 33 33 PRO CA C 33 61.670 61.670 62.516 -0.846 25716 9216 1 19 . 1 1 33 33 PRO CB C 33 29.880 29.880 32.110 -2.230 25716 9217 1 19 . 1 1 34 34 LEU N N 34 126.562 126.562 125.570 0.992 25716 9218 1 19 . 1 1 34 34 LEU HA H 34 3.820 3.820 3.939 -0.119 25716 9219 1 19 . 1 1 34 34 LEU C C 34 176.590 176.590 178.526 -1.936 25716 9220 1 19 . 1 1 34 34 LEU CA C 34 57.808 57.808 58.029 -0.221 25716 9221 1 19 . 1 1 34 34 LEU CB C 34 42.569 42.569 40.943 1.626 25716 9222 1 19 . 1 1 34 34 LEU H H 34 7.988 7.988 8.271 -0.283 25716 9223 1 19 . 1 1 35 35 LEU N N 35 117.687 117.687 117.806 -0.119 25716 9224 1 19 . 1 1 35 35 LEU HA H 35 4.539 4.539 4.104 0.435 25716 9225 1 19 . 1 1 35 35 LEU C C 35 178.411 178.411 179.460 -1.049 25716 9226 1 19 . 1 1 35 35 LEU CA C 35 56.531 56.531 57.260 -0.729 25716 9227 1 19 . 1 1 35 35 LEU CB C 35 41.338 41.338 40.744 0.594 25716 9228 1 19 . 1 1 35 35 LEU H H 35 8.184 8.184 7.945 0.239 25716 9229 1 19 . 1 1 36 36 GLU N N 36 121.488 121.488 119.479 2.009 25716 9230 1 19 . 1 1 36 36 GLU HA H 36 4.118 4.118 4.162 -0.044 25716 9231 1 19 . 1 1 36 36 GLU C C 36 175.984 175.984 178.284 -2.300 25716 9232 1 19 . 1 1 36 36 GLU CA C 36 59.264 59.264 58.980 0.284 25716 9233 1 19 . 1 1 36 36 GLU CB C 36 29.608 29.608 29.386 0.223 25716 9234 1 19 . 1 1 36 36 GLU H H 36 7.857 7.857 8.111 -0.254 25716 9235 1 19 . 1 1 37 37 TRP N N 37 115.319 115.319 117.826 -2.507 25716 9236 1 19 . 1 1 37 37 TRP HA H 37 4.950 4.950 4.665 0.285 25716 9237 1 19 . 1 1 37 37 TRP C C 37 174.270 174.270 177.077 -2.807 25716 9238 1 19 . 1 1 37 37 TRP CA C 37 56.075 56.075 58.595 -2.520 25716 9239 1 19 . 1 1 37 37 TRP CB C 37 29.050 29.050 29.687 -0.637 25716 9240 1 19 . 1 1 37 37 TRP H H 37 8.180 8.180 7.920 0.260 25716 9241 1 19 . 1 1 38 38 GLY N N 38 106.793 106.793 107.347 -0.554 25716 9242 1 19 . 1 1 38 38 GLY C C 38 171.784 171.784 175.558 -3.774 25716 9243 1 19 . 1 1 38 38 GLY CA C 38 46.275 46.275 46.162 0.113 25716 9244 1 19 . 1 1 38 38 GLY H H 38 7.704 7.704 7.609 0.095 25716 9245 1 19 . 1 1 39 39 ILE N N 39 120.597 120.597 113.332 7.265 25716 9246 1 19 . 1 1 39 39 ILE HA H 39 3.753 3.753 4.262 -0.509 25716 9247 1 19 . 1 1 39 39 ILE C C 39 174.148 174.148 175.176 -1.028 25716 9248 1 19 . 1 1 39 39 ILE CA C 39 63.934 63.934 61.762 2.172 25716 9249 1 19 . 1 1 39 39 ILE CB C 39 38.673 38.673 38.489 0.184 25716 9250 1 19 . 1 1 39 39 ILE H H 39 7.697 7.697 7.480 0.217 25716 9251 1 19 . 1 1 40 40 LEU N N 40 115.102 115.102 122.068 -6.966 25716 9252 1 19 . 1 1 40 40 LEU HA H 40 4.934 4.934 4.450 0.484 25716 9253 1 19 . 1 1 40 40 LEU C C 40 172.286 172.286 175.597 -3.311 25716 9254 1 19 . 1 1 40 40 LEU CA C 40 52.249 52.249 54.076 -1.827 25716 9255 1 19 . 1 1 40 40 LEU CB C 40 43.454 43.454 40.911 2.543 25716 9256 1 19 . 1 1 40 40 LEU H H 40 7.307 7.307 7.780 -0.473 25716 9257 1 19 . 1 1 41 41 ASN N N 41 117.306 117.306 121.501 -4.195 25716 9258 1 19 . 1 1 41 41 ASN HA H 41 4.589 4.589 4.878 -0.289 25716 9259 1 19 . 1 1 41 41 ASN C C 41 171.807 171.807 175.241 -3.434 25716 9260 1 19 . 1 1 41 41 ASN CA C 41 52.017 52.017 52.251 -0.234 25716 9261 1 19 . 1 1 41 41 ASN CB C 41 39.872 39.872 41.827 -1.955 25716 9262 1 19 . 1 1 41 41 ASN H H 41 8.466 8.466 8.360 0.106 25716 9263 1 19 . 1 1 42 42 SER N N 42 113.236 113.236 116.077 -2.841 25716 9264 1 19 . 1 1 42 42 SER HA H 42 4.116 4.116 4.190 -0.074 25716 9265 1 19 . 1 1 42 42 SER C C 42 171.631 171.631 176.518 -4.887 25716 9266 1 19 . 1 1 42 42 SER CA C 42 60.951 60.951 62.064 -1.113 25716 9267 1 19 . 1 1 42 42 SER CB C 42 65.868 65.868 63.015 2.853 25716 9268 1 19 . 1 1 42 42 SER H H 42 9.138 9.138 8.672 0.466 25716 9269 1 19 . 1 1 43 43 MET N N 43 118.797 118.797 119.573 -0.776 25716 9270 1 19 . 1 1 43 43 MET HA H 43 4.467 4.467 4.312 0.155 25716 9271 1 19 . 1 1 43 43 MET CA C 43 57.429 57.429 57.516 -0.087 25716 9272 1 19 . 1 1 43 43 MET CB C 43 32.494 32.494 32.427 0.067 25716 9273 1 19 . 1 1 43 43 MET H H 43 8.292 8.292 8.123 0.169 25716 9274 1 19 . 1 1 44 44 ASN N N 44 117.701 117.701 116.260 1.441 25716 9275 1 19 . 1 1 44 44 ASN HA H 44 4.686 4.686 4.639 0.047 25716 9276 1 19 . 1 1 44 44 ASN C C 44 175.889 175.889 177.041 -1.152 25716 9277 1 19 . 1 1 44 44 ASN CA C 44 53.826 53.826 54.478 -0.652 25716 9278 1 19 . 1 1 44 44 ASN CB C 44 38.484 38.484 38.745 -0.261 25716 9279 1 19 . 1 1 44 44 ASN H H 44 8.299 8.299 7.804 0.495 25716 9280 1 19 . 1 1 45 45 ILE N N 45 122.124 122.124 122.018 0.106 25716 9281 1 19 . 1 1 45 45 ILE HA H 45 3.783 3.783 3.817 -0.034 25716 9282 1 19 . 1 1 45 45 ILE C C 45 174.370 174.370 176.959 -2.589 25716 9283 1 19 . 1 1 45 45 ILE CA C 45 64.892 64.892 64.201 0.691 25716 9284 1 19 . 1 1 45 45 ILE CB C 45 37.778 37.778 37.909 -0.131 25716 9285 1 19 . 1 1 45 45 ILE H H 45 8.417 8.417 8.069 0.348 25716 9286 1 19 . 1 1 46 46 VAL N N 46 120.176 120.176 115.909 4.267 25716 9287 1 19 . 1 1 46 46 VAL HA H 46 3.714 3.714 3.849 -0.135 25716 9288 1 19 . 1 1 46 46 VAL C C 46 175.129 175.129 177.478 -2.349 25716 9289 1 19 . 1 1 46 46 VAL CA C 46 66.227 66.227 65.834 0.393 25716 9290 1 19 . 1 1 46 46 VAL CB C 46 31.294 31.294 30.848 0.446 25716 9291 1 19 . 1 1 46 46 VAL H H 46 7.394 7.394 7.955 -0.561 25716 9292 1 19 . 1 1 47 47 LYS N N 47 118.640 118.640 119.085 -0.445 25716 9293 1 19 . 1 1 47 47 LYS HA H 47 4.005 4.005 4.228 -0.223 25716 9294 1 19 . 1 1 47 47 LYS CA C 47 60.033 60.033 59.404 0.629 25716 9295 1 19 . 1 1 47 47 LYS CB C 47 32.093 32.093 32.032 0.061 25716 9296 1 19 . 1 1 47 47 LYS H H 47 7.221 7.221 7.462 -0.241 25716 9297 1 19 . 1 1 48 48 LEU N N 48 119.812 119.812 120.705 -0.893 25716 9298 1 19 . 1 1 48 48 LEU HA H 48 4.261 4.261 4.205 0.056 25716 9299 1 19 . 1 1 48 48 LEU C C 48 175.105 175.105 178.666 -3.561 25716 9300 1 19 . 1 1 48 48 LEU CA C 48 57.717 57.717 57.927 -0.210 25716 9301 1 19 . 1 1 48 48 LEU CB C 48 41.683 41.683 41.998 -0.315 25716 9302 1 19 . 1 1 48 48 LEU H H 48 7.812 7.812 7.448 0.364 25716 9303 1 19 . 1 1 49 49 MET N N 49 118.031 118.031 117.305 0.726 25716 9304 1 19 . 1 1 49 49 MET HA H 49 3.919 3.919 4.210 -0.290 25716 9305 1 19 . 1 1 49 49 MET C C 49 176.673 176.673 178.814 -2.141 25716 9306 1 19 . 1 1 49 49 MET CA C 49 60.304 60.304 59.489 0.815 25716 9307 1 19 . 1 1 49 49 MET CB C 49 33.071 33.071 32.566 0.505 25716 9308 1 19 . 1 1 49 49 MET H H 49 8.583 8.583 8.256 0.327 25716 9309 1 19 . 1 1 50 50 VAL N N 50 122.370 122.370 115.572 6.798 25716 9310 1 19 . 1 1 50 50 VAL HA H 50 3.497 3.497 3.931 -0.434 25716 9311 1 19 . 1 1 50 50 VAL C C 50 173.639 173.639 177.098 -3.459 25716 9312 1 19 . 1 1 50 50 VAL CA C 50 67.182 67.182 64.686 2.496 25716 9313 1 19 . 1 1 50 50 VAL CB C 50 31.551 31.551 31.412 0.139 25716 9314 1 19 . 1 1 50 50 VAL H H 50 8.246 8.246 7.948 0.298 25716 9315 1 19 . 1 1 51 51 TYR N N 51 121.444 121.444 122.253 -0.809 25716 9316 1 19 . 1 1 51 51 TYR HA H 51 4.110 4.110 3.943 0.167 25716 9317 1 19 . 1 1 51 51 TYR C C 51 174.688 174.688 177.204 -2.516 25716 9318 1 19 . 1 1 51 51 TYR CA C 51 61.795 61.795 62.154 -0.359 25716 9319 1 19 . 1 1 51 51 TYR CB C 51 38.036 38.036 38.447 -0.411 25716 9320 1 19 . 1 1 51 51 TYR H H 51 7.774 7.774 7.435 0.339 25716 9321 1 19 . 1 1 52 52 ILE N N 52 118.347 118.347 118.643 -0.296 25716 9322 1 19 . 1 1 52 52 ILE HA H 52 3.283 3.283 3.726 -0.443 25716 9323 1 19 . 1 1 52 52 ILE C C 52 175.421 175.421 178.360 -2.939 25716 9324 1 19 . 1 1 52 52 ILE CA C 52 65.477 65.477 64.304 1.173 25716 9325 1 19 . 1 1 52 52 ILE CB C 52 38.703 38.703 37.580 1.123 25716 9326 1 19 . 1 1 52 52 ILE H H 52 8.388 8.388 8.565 -0.177 25716 9327 1 19 . 1 1 53 53 ARG N N 53 121.323 121.323 119.529 1.794 25716 9328 1 19 . 1 1 53 53 ARG HA H 53 3.920 3.920 4.042 -0.122 25716 9329 1 19 . 1 1 53 53 ARG C C 53 176.463 176.463 177.964 -1.501 25716 9330 1 19 . 1 1 53 53 ARG CA C 53 59.458 59.458 59.518 -0.060 25716 9331 1 19 . 1 1 53 53 ARG CB C 53 30.296 30.296 29.875 0.420 25716 9332 1 19 . 1 1 53 53 ARG H H 53 7.831 7.831 7.654 0.177 25716 9333 1 19 . 1 1 54 54 ASP N N 54 119.945 119.945 118.046 1.899 25716 9334 1 19 . 1 1 54 54 ASP HA H 54 4.319 4.319 4.527 -0.208 25716 9335 1 19 . 1 1 54 54 ASP C C 54 175.314 175.314 177.841 -2.527 25716 9336 1 19 . 1 1 54 54 ASP CA C 54 57.126 57.126 56.177 0.949 25716 9337 1 19 . 1 1 54 54 ASP CB C 54 40.074 40.074 41.217 -1.143 25716 9338 1 19 . 1 1 54 54 ASP H H 54 8.760 8.760 7.581 1.179 25716 9339 1 19 . 1 1 55 55 GLU N N 55 117.530 117.530 119.655 -2.125 25716 9340 1 19 . 1 1 55 55 GLU HA H 55 4.239 4.239 3.908 0.331 25716 9341 1 19 . 1 1 55 55 GLU C C 55 175.224 175.224 178.218 -2.994 25716 9342 1 19 . 1 1 55 55 GLU CA C 55 56.852 56.852 58.249 -1.397 25716 9343 1 19 . 1 1 55 55 GLU CB C 55 29.329 29.329 29.307 0.022 25716 9344 1 19 . 1 1 55 55 GLU H H 55 8.701 8.701 8.145 0.556 25716 9345 1 19 . 1 1 56 56 MET N N 56 113.874 113.874 116.549 -2.675 25716 9346 1 19 . 1 1 56 56 MET HA H 56 4.566 4.566 4.319 0.247 25716 9347 1 19 . 1 1 56 56 MET C C 56 173.968 173.968 177.207 -3.239 25716 9348 1 19 . 1 1 56 56 MET CA C 56 55.539 55.539 55.933 -0.394 25716 9349 1 19 . 1 1 56 56 MET CB C 56 34.094 34.094 33.204 0.890 25716 9350 1 19 . 1 1 56 56 MET H H 56 7.464 7.464 7.525 -0.061 25716 9351 1 19 . 1 1 57 57 GLY N N 57 107.900 107.900 107.681 0.219 25716 9352 1 19 . 1 1 57 57 GLY C C 57 171.496 171.496 173.794 -2.298 25716 9353 1 19 . 1 1 57 57 GLY CA C 57 46.561 46.561 45.211 1.350 25716 9354 1 19 . 1 1 57 57 GLY H H 57 7.291 7.291 7.937 -0.646 25716 9355 1 19 . 1 1 58 58 VAL N N 58 117.126 117.126 119.001 -1.875 25716 9356 1 19 . 1 1 58 58 VAL HA H 58 4.283 4.283 4.225 0.058 25716 9357 1 19 . 1 1 58 58 VAL C C 58 171.116 171.116 174.568 -3.452 25716 9358 1 19 . 1 1 58 58 VAL CA C 58 60.487 60.487 60.563 -0.076 25716 9359 1 19 . 1 1 58 58 VAL CB C 58 34.837 34.837 34.187 0.650 25716 9360 1 19 . 1 1 58 58 VAL H H 58 6.970 6.970 7.669 -0.699 25716 9361 1 19 . 1 1 59 59 SER N N 59 122.188 122.188 121.762 0.426 25716 9362 1 19 . 1 1 59 59 SER HA H 59 4.432 4.432 4.639 -0.207 25716 9363 1 19 . 1 1 59 59 SER C C 59 170.766 170.766 173.868 -3.102 25716 9364 1 19 . 1 1 59 59 SER CA C 59 56.563 56.563 57.492 -0.929 25716 9365 1 19 . 1 1 59 59 SER CB C 59 63.106 63.106 64.245 -1.139 25716 9366 1 19 . 1 1 59 59 SER H H 59 8.609 8.609 8.056 0.553 25716 9367 1 19 . 1 1 60 60 ILE N N 60 128.230 128.230 126.121 2.109 25716 9368 1 19 . 1 1 60 60 ILE HA H 60 4.033 4.033 4.362 -0.329 25716 9369 1 19 . 1 1 60 60 ILE CA C 60 58.127 58.127 58.647 -0.520 25716 9370 1 19 . 1 1 60 60 ILE CB C 60 38.217 38.217 37.834 0.383 25716 9371 1 19 . 1 1 60 60 ILE H H 60 8.257 8.257 8.363 -0.106 25716 9372 1 19 . 1 1 61 61 PRO HA H 61 4.501 4.501 4.603 -0.102 25716 9373 1 19 . 1 1 61 61 PRO CA C 61 62.352 62.352 62.202 0.150 25716 9374 1 19 . 1 1 61 61 PRO CB C 61 32.469 32.469 32.478 -0.009 25716 9375 1 19 . 1 1 62 62 SER HA H 62 4.058 4.058 4.262 -0.204 25716 9376 1 19 . 1 1 62 62 SER C C 62 173.269 173.269 176.417 -3.148 25716 9377 1 19 . 1 1 62 62 SER CA C 62 61.511 61.511 61.409 0.102 25716 9378 1 19 . 1 1 62 62 SER CB C 62 62.646 62.646 62.584 0.062 25716 9379 1 19 . 1 1 63 63 THR N N 63 110.178 110.178 115.058 -4.880 25716 9380 1 19 . 1 1 63 63 THR HA H 63 4.066 4.066 4.404 -0.338 25716 9381 1 19 . 1 1 63 63 THR C C 63 172.917 172.917 174.918 -2.001 25716 9382 1 19 . 1 1 63 63 THR CA C 63 63.007 63.007 63.223 -0.216 25716 9383 1 19 . 1 1 63 63 THR CB C 63 69.323 69.323 68.563 0.760 25716 9384 1 19 . 1 1 63 63 THR H H 63 7.307 7.307 8.329 -1.022 25716 9385 1 19 . 1 1 64 64 HIS N N 64 121.862 121.862 118.687 3.175 25716 9386 1 19 . 1 1 64 64 HIS HA H 64 4.495 4.495 4.979 -0.484 25716 9387 1 19 . 1 1 64 64 HIS C C 64 171.495 171.495 174.371 -2.876 25716 9388 1 19 . 1 1 64 64 HIS CA C 64 56.203 56.203 54.303 1.900 25716 9389 1 19 . 1 1 64 64 HIS CB C 64 29.814 29.814 31.131 -1.317 25716 9390 1 19 . 1 1 64 64 HIS H H 64 8.132 8.132 7.780 0.352 25716 9391 1 19 . 1 1 65 65 ILE N N 65 118.536 118.536 123.066 -4.530 25716 9392 1 19 . 1 1 65 65 ILE HA H 65 4.165 4.165 4.127 0.038 25716 9393 1 19 . 1 1 65 65 ILE C C 65 172.049 172.049 175.661 -3.612 25716 9394 1 19 . 1 1 65 65 ILE CA C 65 60.576 60.576 60.429 0.146 25716 9395 1 19 . 1 1 65 65 ILE CB C 65 35.561 35.561 35.347 0.214 25716 9396 1 19 . 1 1 65 65 ILE H H 65 7.223 7.223 7.497 -0.274 25716 9397 1 19 . 1 1 66 66 THR N N 66 114.529 114.529 121.204 -6.675 25716 9398 1 19 . 1 1 66 66 THR HA H 66 4.635 4.635 4.494 0.141 25716 9399 1 19 . 1 1 66 66 THR C C 66 172.176 172.176 175.333 -3.157 25716 9400 1 19 . 1 1 66 66 THR CA C 66 59.827 59.827 61.059 -1.232 25716 9401 1 19 . 1 1 66 66 THR CB C 66 70.679 70.679 72.155 -1.476 25716 9402 1 19 . 1 1 66 66 THR H H 66 7.943 7.943 7.969 -0.026 25716 9403 1 19 . 1 1 67 67 GLY N N 67 109.454 109.454 111.973 -2.519 25716 9404 1 19 . 1 1 67 67 GLY C C 67 172.080 172.080 174.478 -2.398 25716 9405 1 19 . 1 1 67 67 GLY CA C 67 47.245 47.245 46.286 0.959 25716 9406 1 19 . 1 1 67 67 GLY H H 67 8.736 8.736 8.743 -0.007 25716 9407 1 19 . 1 1 68 68 LYS N N 68 118.551 118.551 118.741 -0.190 25716 9408 1 19 . 1 1 68 68 LYS HA H 68 3.851 3.851 3.974 -0.123 25716 9409 1 19 . 1 1 68 68 LYS C C 68 174.455 174.455 178.112 -3.657 25716 9410 1 19 . 1 1 68 68 LYS CA C 68 58.697 58.697 58.400 0.297 25716 9411 1 19 . 1 1 68 68 LYS CB C 68 32.350 32.350 31.987 0.363 25716 9412 1 19 . 1 1 68 68 LYS H H 68 7.968 7.968 7.555 0.413 25716 9413 1 19 . 1 1 69 69 TYR N N 69 115.203 115.203 115.805 -0.602 25716 9414 1 19 . 1 1 69 69 TYR HA H 69 4.213 4.213 4.429 -0.216 25716 9415 1 19 . 1 1 69 69 TYR C C 69 171.772 171.772 176.700 -4.928 25716 9416 1 19 . 1 1 69 69 TYR CA C 69 59.212 59.212 57.604 1.608 25716 9417 1 19 . 1 1 69 69 TYR CB C 69 38.555 38.555 39.095 -0.540 25716 9418 1 19 . 1 1 69 69 TYR H H 69 6.826 6.826 7.524 -0.698 25716 9419 1 19 . 1 1 70 70 PHE N N 70 112.140 112.140 114.962 -2.822 25716 9420 1 19 . 1 1 70 70 PHE HA H 70 4.629 4.629 4.578 0.051 25716 9421 1 19 . 1 1 70 70 PHE C C 70 171.998 171.998 176.420 -4.422 25716 9422 1 19 . 1 1 70 70 PHE CA C 70 57.245 57.245 58.714 -1.469 25716 9423 1 19 . 1 1 70 70 PHE CB C 70 40.329 40.329 38.932 1.397 25716 9424 1 19 . 1 1 70 70 PHE H H 70 7.327 7.327 7.790 -0.463 25716 9425 1 19 . 1 1 71 71 LYS N N 71 113.603 113.603 120.593 -6.990 25716 9426 1 19 . 1 1 71 71 LYS HA H 71 3.875 3.875 4.070 -0.195 25716 9427 1 19 . 1 1 71 71 LYS C C 71 172.963 172.963 176.014 -3.051 25716 9428 1 19 . 1 1 71 71 LYS CA C 71 59.667 59.667 59.147 0.520 25716 9429 1 19 . 1 1 71 71 LYS CB C 71 33.074 33.074 32.944 0.130 25716 9430 1 19 . 1 1 71 71 LYS H H 71 6.925 6.925 7.967 -1.042 25716 9431 1 19 . 1 1 72 72 ASP N N 72 110.434 110.434 111.854 -1.420 25716 9432 1 19 . 1 1 72 72 ASP HA H 72 4.441 4.441 4.978 -0.537 25716 9433 1 19 . 1 1 72 72 ASP C C 72 172.750 172.750 176.508 -3.758 25716 9434 1 19 . 1 1 72 72 ASP CA C 72 52.378 52.378 52.303 0.075 25716 9435 1 19 . 1 1 72 72 ASP CB C 72 42.426 42.426 43.723 -1.297 25716 9436 1 19 . 1 1 72 72 ASP H H 72 7.363 7.363 7.558 -0.195 25716 9437 1 19 . 1 1 73 73 LEU N N 73 120.273 120.273 118.730 1.543 25716 9438 1 19 . 1 1 73 73 LEU HA H 73 3.920 3.920 3.981 -0.061 25716 9439 1 19 . 1 1 73 73 LEU C C 73 176.648 176.648 178.380 -1.732 25716 9440 1 19 . 1 1 73 73 LEU CA C 73 58.120 58.120 57.791 0.329 25716 9441 1 19 . 1 1 73 73 LEU CB C 73 42.574 42.574 41.861 0.713 25716 9442 1 19 . 1 1 73 73 LEU H H 73 9.983 9.983 8.224 1.759 25716 9443 1 19 . 1 1 74 74 ASN N N 74 119.506 119.506 118.332 1.174 25716 9444 1 19 . 1 1 74 74 ASN HA H 74 4.405 4.405 4.454 -0.048 25716 9445 1 19 . 1 1 74 74 ASN C C 74 174.659 174.659 177.316 -2.657 25716 9446 1 19 . 1 1 74 74 ASN CA C 74 56.287 56.287 56.482 -0.195 25716 9447 1 19 . 1 1 74 74 ASN CB C 74 37.579 37.579 38.316 -0.737 25716 9448 1 19 . 1 1 74 74 ASN H H 74 7.893 7.893 7.928 -0.035 25716 9449 1 19 . 1 1 75 75 ALA N N 75 125.068 125.068 123.533 1.535 25716 9450 1 19 . 1 1 75 75 ALA HA H 75 4.097 4.097 4.184 -0.087 25716 9451 1 19 . 1 1 75 75 ALA C C 75 177.809 177.809 179.874 -2.065 25716 9452 1 19 . 1 1 75 75 ALA CA C 75 55.365 55.365 54.735 0.630 25716 9453 1 19 . 1 1 75 75 ALA CB C 75 18.572 18.572 18.359 0.213 25716 9454 1 19 . 1 1 75 75 ALA H H 75 8.951 8.951 7.618 1.333 25716 9455 1 19 . 1 1 76 76 ILE N N 76 119.561 119.561 119.488 0.073 25716 9456 1 19 . 1 1 76 76 ILE HA H 76 3.615 3.615 3.694 -0.079 25716 9457 1 19 . 1 1 76 76 ILE C C 76 175.344 175.344 178.096 -2.752 25716 9458 1 19 . 1 1 76 76 ILE CA C 76 65.272 65.272 63.676 1.596 25716 9459 1 19 . 1 1 76 76 ILE CB C 76 39.056 39.056 36.844 2.212 25716 9460 1 19 . 1 1 76 76 ILE H H 76 8.386 8.386 8.121 0.265 25716 9461 1 19 . 1 1 77 77 SER N N 77 114.090 114.090 115.135 -1.045 25716 9462 1 19 . 1 1 77 77 SER HA H 77 3.878 3.878 4.117 -0.239 25716 9463 1 19 . 1 1 77 77 SER C C 77 173.592 173.592 176.921 -3.329 25716 9464 1 19 . 1 1 77 77 SER CA C 77 62.733 62.733 61.917 0.816 25716 9465 1 19 . 1 1 77 77 SER CB C 77 62.864 62.864 63.127 -0.263 25716 9466 1 19 . 1 1 77 77 SER H H 77 8.250 8.250 8.354 -0.104 25716 9467 1 19 . 1 1 78 78 ARG N N 78 121.670 121.670 120.579 1.091 25716 9468 1 19 . 1 1 78 78 ARG HA H 78 4.129 4.129 4.434 -0.305 25716 9469 1 19 . 1 1 78 78 ARG C C 78 176.111 176.111 178.500 -2.389 25716 9470 1 19 . 1 1 78 78 ARG CA C 78 59.328 59.328 58.716 0.612 25716 9471 1 19 . 1 1 78 78 ARG CB C 78 29.814 29.814 29.326 0.488 25716 9472 1 19 . 1 1 78 78 ARG H H 78 8.086 8.086 7.804 0.282 25716 9473 1 19 . 1 1 79 79 THR N N 79 118.928 118.928 114.985 3.943 25716 9474 1 19 . 1 1 79 79 THR HA H 79 4.525 4.525 4.022 0.503 25716 9475 1 19 . 1 1 79 79 THR C C 79 173.364 173.364 176.361 -2.997 25716 9476 1 19 . 1 1 79 79 THR CA C 79 68.289 68.289 65.263 3.026 25716 9477 1 19 . 1 1 79 79 THR CB C 79 67.268 67.268 68.280 -1.012 25716 9478 1 19 . 1 1 79 79 THR H H 79 8.351 8.351 7.401 0.950 25716 9479 1 19 . 1 1 80 80 VAL N N 80 120.643 120.643 121.168 -0.525 25716 9480 1 19 . 1 1 80 80 VAL HA H 80 3.339 3.339 3.577 -0.238 25716 9481 1 19 . 1 1 80 80 VAL C C 80 174.438 174.438 177.968 -3.530 25716 9482 1 19 . 1 1 80 80 VAL CA C 80 67.603 67.603 66.022 1.581 25716 9483 1 19 . 1 1 80 80 VAL CB C 80 31.532 31.532 30.847 0.685 25716 9484 1 19 . 1 1 80 80 VAL H H 80 8.242 8.242 7.957 0.285 25716 9485 1 19 . 1 1 81 81 GLU N N 81 118.067 118.067 119.432 -1.365 25716 9486 1 19 . 1 1 81 81 GLU HA H 81 3.943 3.943 3.902 0.041 25716 9487 1 19 . 1 1 81 81 GLU C C 81 176.961 176.961 178.951 -1.990 25716 9488 1 19 . 1 1 81 81 GLU CA C 81 59.974 59.974 59.541 0.432 25716 9489 1 19 . 1 1 81 81 GLU CB C 81 29.817 29.817 29.151 0.665 25716 9490 1 19 . 1 1 81 81 GLU H H 81 8.296 8.296 8.097 0.199 25716 9491 1 19 . 1 1 82 82 GLN N N 82 119.947 119.947 119.752 0.195 25716 9492 1 19 . 1 1 82 82 GLN HA H 82 4.110 4.110 4.092 0.018 25716 9493 1 19 . 1 1 82 82 GLN C C 82 176.023 176.023 178.199 -2.176 25716 9494 1 19 . 1 1 82 82 GLN CA C 82 58.991 58.991 58.293 0.698 25716 9495 1 19 . 1 1 82 82 GLN CB C 82 28.136 28.136 28.292 -0.156 25716 9496 1 19 . 1 1 82 82 GLN H H 82 8.444 8.444 7.440 1.004 25716 9497 1 19 . 1 1 83 83 LEU N N 83 119.916 119.916 119.284 0.632 25716 9498 1 19 . 1 1 83 83 LEU HA H 83 4.075 4.075 3.959 0.116 25716 9499 1 19 . 1 1 83 83 LEU C C 83 177.753 177.753 178.917 -1.164 25716 9500 1 19 . 1 1 83 83 LEU CA C 83 57.453 57.453 57.100 0.353 25716 9501 1 19 . 1 1 83 83 LEU CB C 83 41.673 41.673 41.496 0.177 25716 9502 1 19 . 1 1 83 83 LEU H H 83 8.149 8.149 8.284 -0.135 25716 9503 1 19 . 1 1 84 84 LYS N N 84 121.059 121.059 120.035 1.024 25716 9504 1 19 . 1 1 84 84 LYS HA H 84 3.951 3.951 3.983 -0.032 25716 9505 1 19 . 1 1 84 84 LYS C C 84 176.055 176.055 178.441 -2.386 25716 9506 1 19 . 1 1 84 84 LYS CA C 84 59.328 59.328 59.459 -0.131 25716 9507 1 19 . 1 1 84 84 LYS CB C 84 32.291 32.291 32.208 0.083 25716 9508 1 19 . 1 1 84 84 LYS H H 84 8.373 8.373 8.116 0.257 25716 9509 1 19 . 1 1 85 85 ALA N N 85 122.134 122.134 121.611 0.523 25716 9510 1 19 . 1 1 85 85 ALA HA H 85 4.188 4.188 4.178 0.010 25716 9511 1 19 . 1 1 85 85 ALA C C 85 177.240 177.240 179.932 -2.692 25716 9512 1 19 . 1 1 85 85 ALA CA C 85 54.423 54.423 54.851 -0.428 25716 9513 1 19 . 1 1 85 85 ALA CB C 85 18.193 18.193 18.173 0.020 25716 9514 1 19 . 1 1 85 85 ALA H H 85 7.854 7.854 7.467 0.387 25716 9515 1 19 . 1 1 86 86 GLU N N 86 117.813 117.813 118.318 -0.505 25716 9516 1 19 . 1 1 86 86 GLU HA H 86 4.115 4.115 4.108 0.007 25716 9517 1 19 . 1 1 86 86 GLU C C 86 175.547 175.547 178.969 -3.422 25716 9518 1 19 . 1 1 86 86 GLU CA C 86 58.199 58.199 58.650 -0.451 25716 9519 1 19 . 1 1 86 86 GLU CB C 86 29.841 29.841 29.215 0.626 25716 9520 1 19 . 1 1 86 86 GLU H H 86 8.059 8.059 7.958 0.101 25716 9521 1 19 . 1 1 87 87 SER N N 87 114.771 114.771 115.441 -0.670 25716 9522 1 19 . 1 1 87 87 SER HA H 87 4.362 4.362 4.456 -0.094 25716 9523 1 19 . 1 1 87 87 SER C C 87 172.405 172.405 176.503 -4.098 25716 9524 1 19 . 1 1 87 87 SER CA C 87 59.806 59.806 60.877 -1.071 25716 9525 1 19 . 1 1 87 87 SER CB C 87 63.528 63.528 62.974 0.554 25716 9526 1 19 . 1 1 87 87 SER H H 87 7.908 7.908 8.113 -0.205 25716 9527 1 19 . 1 1 88 88 ALA N N 88 124.277 124.277 124.336 -0.059 25716 9528 1 19 . 1 1 88 88 ALA HA H 88 4.284 4.284 4.174 0.110 25716 9529 1 19 . 1 1 88 88 ALA C C 88 175.489 175.489 178.680 -3.191 25716 9530 1 19 . 1 1 88 88 ALA CA C 88 53.087 53.087 54.443 -1.356 25716 9531 1 19 . 1 1 88 88 ALA CB C 88 18.792 18.792 18.207 0.585 25716 9532 1 19 . 1 1 88 88 ALA H H 88 7.812 7.812 7.560 0.252 25716 9533 1 19 . 1 1 89 89 LEU N N 89 119.411 119.411 118.270 1.141 25716 9534 1 19 . 1 1 89 89 LEU HA H 89 4.219 4.219 4.106 0.113 25716 9535 1 19 . 1 1 89 89 LEU C C 89 175.025 175.025 177.742 -2.717 25716 9536 1 19 . 1 1 89 89 LEU CA C 89 55.608 55.608 56.211 -0.603 25716 9537 1 19 . 1 1 89 89 LEU CB C 89 42.213 42.213 42.236 -0.023 25716 9538 1 19 . 1 1 89 89 LEU H H 89 7.769 7.769 7.886 -0.117 25716 9539 1 20 . 1 1 2 2 ASP HA H 2 4.704 4.704 4.697 0.007 25716 9540 1 20 . 1 1 2 2 ASP C C 2 173.822 173.822 177.002 -3.180 25716 9541 1 20 . 1 1 2 2 ASP CA C 2 54.130 54.130 54.019 0.111 25716 9542 1 20 . 1 1 2 2 ASP CB C 2 41.601 41.601 40.023 1.578 25716 9543 1 20 . 1 1 3 3 GLY N N 3 109.376 109.376 110.185 -0.809 25716 9544 1 20 . 1 1 3 3 GLY C C 3 172.786 172.786 174.901 -2.115 25716 9545 1 20 . 1 1 3 3 GLY CA C 3 46.704 46.704 46.515 0.189 25716 9546 1 20 . 1 1 3 3 GLY H H 3 8.712 8.712 8.141 0.571 25716 9547 1 20 . 1 1 4 4 GLU N N 4 120.623 120.623 120.512 0.111 25716 9548 1 20 . 1 1 4 4 GLU HA H 4 4.207 4.207 3.982 0.225 25716 9549 1 20 . 1 1 4 4 GLU C C 4 175.198 175.198 177.802 -2.604 25716 9550 1 20 . 1 1 4 4 GLU CA C 4 58.159 58.159 58.283 -0.124 25716 9551 1 20 . 1 1 4 4 GLU CB C 4 29.793 29.793 28.442 1.351 25716 9552 1 20 . 1 1 4 4 GLU H H 4 8.280 8.280 8.545 -0.265 25716 9553 1 20 . 1 1 5 5 GLU N N 5 121.684 121.684 119.653 2.031 25716 9554 1 20 . 1 1 5 5 GLU HA H 5 4.173 4.173 4.055 0.118 25716 9555 1 20 . 1 1 5 5 GLU C C 5 175.720 175.720 178.767 -3.047 25716 9556 1 20 . 1 1 5 5 GLU CA C 5 58.648 58.648 59.050 -0.402 25716 9557 1 20 . 1 1 5 5 GLU CB C 5 29.819 29.819 29.162 0.657 25716 9558 1 20 . 1 1 5 5 GLU H H 5 8.254 8.254 7.778 0.476 25716 9559 1 20 . 1 1 6 6 VAL N N 6 120.195 120.195 120.979 -0.784 25716 9560 1 20 . 1 1 6 6 VAL HA H 6 3.594 3.594 3.682 -0.088 25716 9561 1 20 . 1 1 6 6 VAL C C 6 174.638 174.638 177.963 -3.325 25716 9562 1 20 . 1 1 6 6 VAL CA C 6 66.621 66.621 66.177 0.444 25716 9563 1 20 . 1 1 6 6 VAL CB C 6 32.041 32.041 31.500 0.541 25716 9564 1 20 . 1 1 6 6 VAL H H 6 8.137 8.137 7.481 0.656 25716 9565 1 20 . 1 1 7 7 LYS N N 7 118.688 118.688 119.944 -1.256 25716 9566 1 20 . 1 1 7 7 LYS HA H 7 3.776 3.776 3.921 -0.145 25716 9567 1 20 . 1 1 7 7 LYS C C 7 175.192 175.192 178.916 -3.724 25716 9568 1 20 . 1 1 7 7 LYS CA C 7 60.903 60.903 60.388 0.515 25716 9569 1 20 . 1 1 7 7 LYS CB C 7 32.251 32.251 32.435 -0.184 25716 9570 1 20 . 1 1 7 7 LYS H H 7 8.099 8.099 7.493 0.606 25716 9571 1 20 . 1 1 8 8 GLU N N 8 117.138 117.138 118.149 -1.011 25716 9572 1 20 . 1 1 8 8 GLU HA H 8 4.188 4.188 4.145 0.043 25716 9573 1 20 . 1 1 8 8 GLU C C 8 176.405 176.405 178.952 -2.547 25716 9574 1 20 . 1 1 8 8 GLU CA C 8 58.635 58.635 59.121 -0.486 25716 9575 1 20 . 1 1 8 8 GLU CB C 8 29.149 29.149 29.004 0.145 25716 9576 1 20 . 1 1 8 8 GLU H H 8 7.875 7.875 8.370 -0.495 25716 9577 1 20 . 1 1 9 9 LYS N N 9 119.639 119.639 120.825 -1.186 25716 9578 1 20 . 1 1 9 9 LYS HA H 9 4.072 4.072 4.181 -0.110 25716 9579 1 20 . 1 1 9 9 LYS C C 9 177.376 177.376 179.021 -1.645 25716 9580 1 20 . 1 1 9 9 LYS CA C 9 59.994 59.994 59.688 0.306 25716 9581 1 20 . 1 1 9 9 LYS CB C 9 32.471 32.471 32.672 -0.201 25716 9582 1 20 . 1 1 9 9 LYS H H 9 8.102 8.102 7.519 0.583 25716 9583 1 20 . 1 1 10 10 ILE N N 10 119.456 119.456 119.133 0.323 25716 9584 1 20 . 1 1 10 10 ILE HA H 10 3.713 3.713 3.758 -0.045 25716 9585 1 20 . 1 1 10 10 ILE C C 10 174.153 174.153 177.709 -3.556 25716 9586 1 20 . 1 1 10 10 ILE CA C 10 65.549 65.549 65.664 -0.115 25716 9587 1 20 . 1 1 10 10 ILE CB C 10 37.522 37.522 37.906 -0.384 25716 9588 1 20 . 1 1 10 10 ILE H H 10 8.210 8.210 8.027 0.183 25716 9589 1 20 . 1 1 11 11 ARG N N 11 121.172 121.172 119.102 2.070 25716 9590 1 20 . 1 1 11 11 ARG HA H 11 3.608 3.608 4.012 -0.404 25716 9591 1 20 . 1 1 11 11 ARG C C 11 174.925 174.925 178.307 -3.382 25716 9592 1 20 . 1 1 11 11 ARG CA C 11 60.617 60.617 58.882 1.735 25716 9593 1 20 . 1 1 11 11 ARG CB C 11 30.480 30.480 29.157 1.323 25716 9594 1 20 . 1 1 11 11 ARG H H 11 8.851 8.851 8.221 0.630 25716 9595 1 20 . 1 1 12 12 ARG N N 12 116.578 116.578 120.006 -3.428 25716 9596 1 20 . 1 1 12 12 ARG HA H 12 3.935 3.935 4.197 -0.262 25716 9597 1 20 . 1 1 12 12 ARG C C 12 174.817 174.817 178.403 -3.586 25716 9598 1 20 . 1 1 12 12 ARG CA C 12 59.162 59.162 58.152 1.010 25716 9599 1 20 . 1 1 12 12 ARG CB C 12 29.476 29.476 29.636 -0.160 25716 9600 1 20 . 1 1 12 12 ARG H H 12 8.126 8.126 7.661 0.465 25716 9601 1 20 . 1 1 13 13 TYR N N 13 119.994 119.994 121.279 -1.285 25716 9602 1 20 . 1 1 13 13 TYR HA H 13 4.047 4.047 4.127 -0.080 25716 9603 1 20 . 1 1 13 13 TYR C C 13 175.273 175.273 177.527 -2.254 25716 9604 1 20 . 1 1 13 13 TYR CA C 13 61.856 61.856 60.914 0.942 25716 9605 1 20 . 1 1 13 13 TYR CB C 13 38.459 38.459 37.828 0.631 25716 9606 1 20 . 1 1 13 13 TYR H H 13 7.758 7.758 7.667 0.091 25716 9607 1 20 . 1 1 14 14 ILE N N 14 117.754 117.754 120.149 -2.395 25716 9608 1 20 . 1 1 14 14 ILE HA H 14 3.239 3.239 3.356 -0.117 25716 9609 1 20 . 1 1 14 14 ILE C C 14 175.425 175.425 177.542 -2.117 25716 9610 1 20 . 1 1 14 14 ILE CA C 14 65.826 65.826 65.784 0.042 25716 9611 1 20 . 1 1 14 14 ILE CB C 14 37.782 37.782 37.631 0.151 25716 9612 1 20 . 1 1 14 14 ILE H H 14 8.464 8.464 8.143 0.321 25716 9613 1 20 . 1 1 15 15 MET N N 15 116.173 116.173 117.794 -1.621 25716 9614 1 20 . 1 1 15 15 MET HA H 15 3.939 3.939 3.999 -0.060 25716 9615 1 20 . 1 1 15 15 MET C C 15 174.676 174.676 178.429 -3.753 25716 9616 1 20 . 1 1 15 15 MET CA C 15 59.276 59.276 59.522 -0.245 25716 9617 1 20 . 1 1 15 15 MET CB C 15 32.885 32.885 32.205 0.680 25716 9618 1 20 . 1 1 15 15 MET H H 15 8.265 8.265 7.525 0.740 25716 9619 1 20 . 1 1 16 16 GLU N N 16 116.398 116.398 118.932 -2.534 25716 9620 1 20 . 1 1 16 16 GLU HA H 16 3.980 3.980 4.078 -0.098 25716 9621 1 20 . 1 1 16 16 GLU C C 16 175.158 175.158 179.002 -3.844 25716 9622 1 20 . 1 1 16 16 GLU CA C 16 58.767 58.767 59.013 -0.246 25716 9623 1 20 . 1 1 16 16 GLU CB C 16 30.078 30.078 29.407 0.671 25716 9624 1 20 . 1 1 16 16 GLU H H 16 8.619 8.619 7.563 1.056 25716 9625 1 20 . 1 1 17 17 ASP N N 17 116.973 116.973 119.068 -2.095 25716 9626 1 20 . 1 1 17 17 ASP HA H 17 4.591 4.591 4.383 0.208 25716 9627 1 20 . 1 1 17 17 ASP C C 17 174.240 174.240 178.230 -3.990 25716 9628 1 20 . 1 1 17 17 ASP CA C 17 55.438 55.438 56.094 -0.656 25716 9629 1 20 . 1 1 17 17 ASP CB C 17 42.657 42.657 40.621 2.036 25716 9630 1 20 . 1 1 17 17 ASP H H 17 8.119 8.119 7.862 0.257 25716 9631 1 20 . 1 1 18 18 LEU N N 18 115.667 115.667 119.583 -3.916 25716 9632 1 20 . 1 1 18 18 LEU HA H 18 4.488 4.488 4.072 0.416 25716 9633 1 20 . 1 1 18 18 LEU C C 18 175.062 175.062 178.263 -3.201 25716 9634 1 20 . 1 1 18 18 LEU CA C 18 56.075 56.075 57.273 -1.198 25716 9635 1 20 . 1 1 18 18 LEU CB C 18 41.096 41.096 42.192 -1.096 25716 9636 1 20 . 1 1 18 18 LEU H H 18 7.162 7.162 7.182 -0.020 25716 9637 1 20 . 1 1 19 19 ILE N N 19 120.763 120.763 115.534 5.229 25716 9638 1 20 . 1 1 19 19 ILE HA H 19 3.979 3.979 3.984 -0.005 25716 9639 1 20 . 1 1 19 19 ILE C C 19 174.557 174.557 177.030 -2.473 25716 9640 1 20 . 1 1 19 19 ILE CA C 19 63.809 63.809 62.714 1.095 25716 9641 1 20 . 1 1 19 19 ILE CB C 19 38.044 38.044 38.850 -0.806 25716 9642 1 20 . 1 1 19 19 ILE H H 19 8.017 8.017 8.148 -0.131 25716 9643 1 20 . 1 1 20 20 GLY N N 20 108.619 108.619 106.810 1.809 25716 9644 1 20 . 1 1 20 20 GLY CA C 20 44.560 44.560 45.139 -0.578 25716 9645 1 20 . 1 1 20 20 GLY H H 20 8.126 8.126 7.830 0.296 25716 9646 1 20 . 1 1 21 21 PRO HA H 21 4.385 4.385 4.490 -0.105 25716 9647 1 20 . 1 1 21 21 PRO C C 21 174.855 174.855 177.509 -2.654 25716 9648 1 20 . 1 1 21 21 PRO CA C 21 64.406 64.406 63.627 0.779 25716 9649 1 20 . 1 1 21 21 PRO CB C 21 32.027 32.027 31.892 0.135 25716 9650 1 20 . 1 1 22 22 SER N N 22 114.165 114.165 116.867 -2.702 25716 9651 1 20 . 1 1 22 22 SER HA H 22 4.394 4.394 4.452 -0.058 25716 9652 1 20 . 1 1 22 22 SER C C 22 171.708 171.708 173.762 -2.054 25716 9653 1 20 . 1 1 22 22 SER CA C 22 58.871 58.871 57.938 0.933 25716 9654 1 20 . 1 1 22 22 SER CB C 22 63.473 63.473 61.730 1.743 25716 9655 1 20 . 1 1 22 22 SER H H 22 8.279 8.279 8.244 0.035 25716 9656 1 20 . 1 1 23 23 ALA N N 23 125.151 125.151 125.866 -0.715 25716 9657 1 20 . 1 1 23 23 ALA HA H 23 4.250 4.250 4.646 -0.396 25716 9658 1 20 . 1 1 23 23 ALA C C 23 174.903 174.903 175.822 -0.919 25716 9659 1 20 . 1 1 23 23 ALA CA C 23 52.851 52.851 51.833 1.018 25716 9660 1 20 . 1 1 23 23 ALA CB C 23 19.376 19.376 20.107 -0.731 25716 9661 1 20 . 1 1 23 23 ALA H H 23 8.040 8.040 7.674 0.366 25716 9662 1 20 . 1 1 24 24 LYS N N 24 120.823 120.823 122.248 -1.425 25716 9663 1 20 . 1 1 24 24 LYS HA H 24 4.346 4.346 4.295 0.051 25716 9664 1 20 . 1 1 24 24 LYS C C 24 174.522 174.522 178.083 -3.561 25716 9665 1 20 . 1 1 24 24 LYS CA C 24 55.938 55.938 55.466 0.472 25716 9666 1 20 . 1 1 24 24 LYS CB C 24 33.187 33.187 33.507 -0.320 25716 9667 1 20 . 1 1 24 24 LYS H H 24 8.306 8.306 8.014 0.292 25716 9668 1 20 . 1 1 25 25 GLU N N 25 121.186 121.186 121.283 -0.097 25716 9669 1 20 . 1 1 25 25 GLU HA H 25 4.114 4.114 4.043 0.071 25716 9670 1 20 . 1 1 25 25 GLU C C 25 173.808 173.808 176.295 -2.487 25716 9671 1 20 . 1 1 25 25 GLU CA C 25 58.023 58.023 59.395 -1.373 25716 9672 1 20 . 1 1 25 25 GLU CB C 25 29.769 29.769 29.501 0.268 25716 9673 1 20 . 1 1 25 25 GLU H H 25 8.569 8.569 8.895 -0.326 25716 9674 1 20 . 1 1 26 26 ASP N N 26 117.111 117.111 115.176 1.935 25716 9675 1 20 . 1 1 26 26 ASP HA H 26 4.569 4.569 4.812 -0.243 25716 9676 1 20 . 1 1 26 26 ASP C C 26 173.265 173.265 175.896 -2.631 25716 9677 1 20 . 1 1 26 26 ASP CA C 26 54.061 54.061 53.656 0.405 25716 9678 1 20 . 1 1 26 26 ASP CB C 26 40.742 40.742 40.938 -0.196 25716 9679 1 20 . 1 1 26 26 ASP H H 26 8.139 8.139 8.158 -0.019 25716 9680 1 20 . 1 1 27 27 GLU N N 27 118.932 118.932 119.850 -0.918 25716 9681 1 20 . 1 1 27 27 GLU HA H 27 4.239 4.239 4.440 -0.201 25716 9682 1 20 . 1 1 27 27 GLU C C 27 172.838 172.838 175.681 -2.843 25716 9683 1 20 . 1 1 27 27 GLU CA C 27 56.645 56.645 58.022 -1.377 25716 9684 1 20 . 1 1 27 27 GLU CB C 27 30.703 30.703 31.010 -0.307 25716 9685 1 20 . 1 1 27 27 GLU H H 27 7.859 7.859 8.243 -0.384 25716 9686 1 20 . 1 1 28 28 LEU N N 28 121.726 121.726 120.460 1.266 25716 9687 1 20 . 1 1 28 28 LEU HA H 28 4.570 4.570 4.358 0.212 25716 9688 1 20 . 1 1 28 28 LEU C C 28 172.438 172.438 174.916 -2.478 25716 9689 1 20 . 1 1 28 28 LEU CA C 28 54.503 54.503 54.188 0.315 25716 9690 1 20 . 1 1 28 28 LEU CB C 28 43.342 43.342 40.642 2.700 25716 9691 1 20 . 1 1 28 28 LEU H H 28 7.671 7.671 7.838 -0.167 25716 9692 1 20 . 1 1 29 29 ASP N N 29 126.685 126.685 123.653 3.032 25716 9693 1 20 . 1 1 29 29 ASP HA H 29 4.822 4.822 4.847 -0.025 25716 9694 1 20 . 1 1 29 29 ASP C C 29 173.732 173.732 176.651 -2.919 25716 9695 1 20 . 1 1 29 29 ASP CA C 29 52.855 52.855 52.722 0.133 25716 9696 1 20 . 1 1 29 29 ASP CB C 29 43.124 43.124 44.257 -1.133 25716 9697 1 20 . 1 1 29 29 ASP H H 29 8.950 8.950 8.265 0.685 25716 9698 1 20 . 1 1 30 30 ASP N N 30 120.317 120.317 119.794 0.523 25716 9699 1 20 . 1 1 30 30 ASP HA H 30 4.247 4.247 4.356 -0.109 25716 9700 1 20 . 1 1 30 30 ASP C C 30 172.143 172.143 176.782 -4.639 25716 9701 1 20 . 1 1 30 30 ASP CA C 30 57.352 57.352 57.311 0.041 25716 9702 1 20 . 1 1 30 30 ASP CB C 30 40.160 40.160 40.777 -0.617 25716 9703 1 20 . 1 1 30 30 ASP H H 30 8.500 8.500 8.693 -0.193 25716 9704 1 20 . 1 1 31 31 GLN N N 31 111.109 111.109 116.659 -5.550 25716 9705 1 20 . 1 1 31 31 GLN HA H 31 4.590 4.590 4.449 0.141 25716 9706 1 20 . 1 1 31 31 GLN C C 31 174.343 174.343 175.483 -1.140 25716 9707 1 20 . 1 1 31 31 GLN CA C 31 54.437 54.437 54.970 -0.533 25716 9708 1 20 . 1 1 31 31 GLN CB C 31 30.038 30.038 29.297 0.741 25716 9709 1 20 . 1 1 31 31 GLN H H 31 8.234 8.234 8.261 -0.027 25716 9710 1 20 . 1 1 32 32 THR N N 32 123.333 123.333 119.587 3.746 25716 9711 1 20 . 1 1 32 32 THR HA H 32 3.856 3.856 4.361 -0.505 25716 9712 1 20 . 1 1 32 32 THR CA C 32 62.805 62.805 61.194 1.611 25716 9713 1 20 . 1 1 32 32 THR CB C 32 69.907 69.907 68.973 0.934 25716 9714 1 20 . 1 1 32 32 THR H H 32 7.663 7.663 7.272 0.391 25716 9715 1 20 . 1 1 33 33 PRO HA H 33 4.823 4.823 4.924 -0.101 25716 9716 1 20 . 1 1 33 33 PRO C C 33 172.190 172.190 177.169 -4.979 25716 9717 1 20 . 1 1 33 33 PRO CA C 33 61.670 61.670 62.823 -1.153 25716 9718 1 20 . 1 1 33 33 PRO CB C 33 29.880 29.880 31.368 -1.488 25716 9719 1 20 . 1 1 34 34 LEU N N 34 126.562 126.562 124.507 2.055 25716 9720 1 20 . 1 1 34 34 LEU HA H 34 3.820 3.820 3.712 0.108 25716 9721 1 20 . 1 1 34 34 LEU C C 34 176.590 176.590 178.701 -2.111 25716 9722 1 20 . 1 1 34 34 LEU CA C 34 57.808 57.808 58.183 -0.375 25716 9723 1 20 . 1 1 34 34 LEU CB C 34 42.569 42.569 41.380 1.189 25716 9724 1 20 . 1 1 34 34 LEU H H 34 7.988 7.988 8.154 -0.166 25716 9725 1 20 . 1 1 35 35 LEU N N 35 117.687 117.687 118.482 -0.795 25716 9726 1 20 . 1 1 35 35 LEU HA H 35 4.539 4.539 4.070 0.469 25716 9727 1 20 . 1 1 35 35 LEU C C 35 178.411 178.411 178.587 -0.176 25716 9728 1 20 . 1 1 35 35 LEU CA C 35 56.531 56.531 57.851 -1.320 25716 9729 1 20 . 1 1 35 35 LEU CB C 35 41.338 41.338 41.781 -0.443 25716 9730 1 20 . 1 1 35 35 LEU H H 35 8.184 8.184 7.747 0.437 25716 9731 1 20 . 1 1 36 36 GLU N N 36 121.488 121.488 119.158 2.330 25716 9732 1 20 . 1 1 36 36 GLU HA H 36 4.118 4.118 4.103 0.015 25716 9733 1 20 . 1 1 36 36 GLU C C 36 175.984 175.984 178.860 -2.876 25716 9734 1 20 . 1 1 36 36 GLU CA C 36 59.264 59.264 58.955 0.309 25716 9735 1 20 . 1 1 36 36 GLU CB C 36 29.608 29.608 29.434 0.174 25716 9736 1 20 . 1 1 36 36 GLU H H 36 7.857 7.857 8.335 -0.478 25716 9737 1 20 . 1 1 37 37 TRP N N 37 115.319 115.319 118.816 -3.497 25716 9738 1 20 . 1 1 37 37 TRP HA H 37 4.950 4.950 4.496 0.454 25716 9739 1 20 . 1 1 37 37 TRP C C 37 174.270 174.270 177.261 -2.991 25716 9740 1 20 . 1 1 37 37 TRP CA C 37 56.075 56.075 58.032 -1.957 25716 9741 1 20 . 1 1 37 37 TRP CB C 37 29.050 29.050 29.611 -0.561 25716 9742 1 20 . 1 1 37 37 TRP H H 37 8.180 8.180 7.925 0.255 25716 9743 1 20 . 1 1 38 38 GLY N N 38 106.793 106.793 107.616 -0.823 25716 9744 1 20 . 1 1 38 38 GLY C C 38 171.784 171.784 175.399 -3.615 25716 9745 1 20 . 1 1 38 38 GLY CA C 38 46.275 46.275 45.681 0.594 25716 9746 1 20 . 1 1 38 38 GLY H H 38 7.704 7.704 7.562 0.142 25716 9747 1 20 . 1 1 39 39 ILE N N 39 120.597 120.597 113.449 7.148 25716 9748 1 20 . 1 1 39 39 ILE HA H 39 3.753 3.753 4.259 -0.506 25716 9749 1 20 . 1 1 39 39 ILE C C 39 174.148 174.148 175.111 -0.963 25716 9750 1 20 . 1 1 39 39 ILE CA C 39 63.934 63.934 61.597 2.337 25716 9751 1 20 . 1 1 39 39 ILE CB C 39 38.673 38.673 38.567 0.106 25716 9752 1 20 . 1 1 39 39 ILE H H 39 7.697 7.697 7.411 0.286 25716 9753 1 20 . 1 1 40 40 LEU N N 40 115.102 115.102 122.021 -6.919 25716 9754 1 20 . 1 1 40 40 LEU HA H 40 4.934 4.934 4.524 0.410 25716 9755 1 20 . 1 1 40 40 LEU C C 40 172.286 172.286 175.317 -3.031 25716 9756 1 20 . 1 1 40 40 LEU CA C 40 52.249 52.249 53.902 -1.653 25716 9757 1 20 . 1 1 40 40 LEU CB C 40 43.454 43.454 41.548 1.906 25716 9758 1 20 . 1 1 40 40 LEU H H 40 7.307 7.307 7.749 -0.442 25716 9759 1 20 . 1 1 41 41 ASN N N 41 117.306 117.306 121.640 -4.334 25716 9760 1 20 . 1 1 41 41 ASN HA H 41 4.589 4.589 4.832 -0.243 25716 9761 1 20 . 1 1 41 41 ASN C C 41 171.807 171.807 175.356 -3.549 25716 9762 1 20 . 1 1 41 41 ASN CA C 41 52.017 52.017 52.429 -0.412 25716 9763 1 20 . 1 1 41 41 ASN CB C 41 39.872 39.872 41.933 -2.061 25716 9764 1 20 . 1 1 41 41 ASN H H 41 8.466 8.466 7.782 0.684 25716 9765 1 20 . 1 1 42 42 SER N N 42 113.236 113.236 115.870 -2.634 25716 9766 1 20 . 1 1 42 42 SER HA H 42 4.116 4.116 4.252 -0.136 25716 9767 1 20 . 1 1 42 42 SER C C 42 171.631 171.631 176.362 -4.731 25716 9768 1 20 . 1 1 42 42 SER CA C 42 60.951 60.951 61.392 -0.441 25716 9769 1 20 . 1 1 42 42 SER CB C 42 65.868 65.868 63.180 2.688 25716 9770 1 20 . 1 1 42 42 SER H H 42 9.138 9.138 8.767 0.371 25716 9771 1 20 . 1 1 43 43 MET N N 43 118.797 118.797 119.842 -1.045 25716 9772 1 20 . 1 1 43 43 MET HA H 43 4.467 4.467 4.530 -0.063 25716 9773 1 20 . 1 1 43 43 MET CA C 43 57.429 57.429 56.815 0.615 25716 9774 1 20 . 1 1 43 43 MET CB C 43 32.494 32.494 32.473 0.021 25716 9775 1 20 . 1 1 43 43 MET H H 43 8.292 8.292 8.042 0.250 25716 9776 1 20 . 1 1 44 44 ASN N N 44 117.701 117.701 116.332 1.369 25716 9777 1 20 . 1 1 44 44 ASN HA H 44 4.686 4.686 4.659 0.027 25716 9778 1 20 . 1 1 44 44 ASN C C 44 175.889 175.889 177.136 -1.247 25716 9779 1 20 . 1 1 44 44 ASN CA C 44 53.826 53.826 54.874 -1.048 25716 9780 1 20 . 1 1 44 44 ASN CB C 44 38.484 38.484 38.561 -0.077 25716 9781 1 20 . 1 1 44 44 ASN H H 44 8.299 8.299 7.721 0.578 25716 9782 1 20 . 1 1 45 45 ILE N N 45 122.124 122.124 121.575 0.549 25716 9783 1 20 . 1 1 45 45 ILE HA H 45 3.783 3.783 3.934 -0.151 25716 9784 1 20 . 1 1 45 45 ILE C C 45 174.370 174.370 176.752 -2.382 25716 9785 1 20 . 1 1 45 45 ILE CA C 45 64.892 64.892 63.951 0.941 25716 9786 1 20 . 1 1 45 45 ILE CB C 45 37.778 37.778 38.343 -0.565 25716 9787 1 20 . 1 1 45 45 ILE H H 45 8.417 8.417 8.183 0.234 25716 9788 1 20 . 1 1 46 46 VAL N N 46 120.176 120.176 116.222 3.954 25716 9789 1 20 . 1 1 46 46 VAL HA H 46 3.714 3.714 3.822 -0.108 25716 9790 1 20 . 1 1 46 46 VAL C C 46 175.129 175.129 177.348 -2.219 25716 9791 1 20 . 1 1 46 46 VAL CA C 46 66.227 66.227 65.975 0.252 25716 9792 1 20 . 1 1 46 46 VAL CB C 46 31.294 31.294 30.753 0.541 25716 9793 1 20 . 1 1 46 46 VAL H H 46 7.394 7.394 8.070 -0.676 25716 9794 1 20 . 1 1 47 47 LYS N N 47 118.640 118.640 120.194 -1.554 25716 9795 1 20 . 1 1 47 47 LYS HA H 47 4.005 4.005 4.250 -0.245 25716 9796 1 20 . 1 1 47 47 LYS CA C 47 60.033 60.033 59.087 0.946 25716 9797 1 20 . 1 1 47 47 LYS CB C 47 32.093 32.093 31.714 0.379 25716 9798 1 20 . 1 1 47 47 LYS H H 47 7.221 7.221 7.269 -0.048 25716 9799 1 20 . 1 1 48 48 LEU N N 48 119.812 119.812 120.562 -0.750 25716 9800 1 20 . 1 1 48 48 LEU HA H 48 4.261 4.261 4.170 0.091 25716 9801 1 20 . 1 1 48 48 LEU C C 48 175.105 175.105 178.949 -3.844 25716 9802 1 20 . 1 1 48 48 LEU CA C 48 57.717 57.717 57.933 -0.216 25716 9803 1 20 . 1 1 48 48 LEU CB C 48 41.683 41.683 41.850 -0.167 25716 9804 1 20 . 1 1 48 48 LEU H H 48 7.812 7.812 7.484 0.328 25716 9805 1 20 . 1 1 49 49 MET N N 49 118.031 118.031 117.529 0.502 25716 9806 1 20 . 1 1 49 49 MET HA H 49 3.919 3.919 4.045 -0.126 25716 9807 1 20 . 1 1 49 49 MET C C 49 176.673 176.673 179.048 -2.375 25716 9808 1 20 . 1 1 49 49 MET CA C 49 60.304 60.304 59.687 0.617 25716 9809 1 20 . 1 1 49 49 MET CB C 49 33.071 33.071 32.513 0.558 25716 9810 1 20 . 1 1 49 49 MET H H 49 8.583 8.583 7.996 0.587 25716 9811 1 20 . 1 1 50 50 VAL N N 50 122.370 122.370 115.997 6.373 25716 9812 1 20 . 1 1 50 50 VAL HA H 50 3.497 3.497 3.679 -0.182 25716 9813 1 20 . 1 1 50 50 VAL C C 50 173.639 173.639 177.480 -3.841 25716 9814 1 20 . 1 1 50 50 VAL CA C 50 67.182 67.182 65.668 1.514 25716 9815 1 20 . 1 1 50 50 VAL CB C 50 31.551 31.551 31.546 0.005 25716 9816 1 20 . 1 1 50 50 VAL H H 50 8.246 8.246 8.038 0.208 25716 9817 1 20 . 1 1 51 51 TYR N N 51 121.444 121.444 121.790 -0.346 25716 9818 1 20 . 1 1 51 51 TYR HA H 51 4.110 4.110 3.956 0.154 25716 9819 1 20 . 1 1 51 51 TYR C C 51 174.688 174.688 177.049 -2.361 25716 9820 1 20 . 1 1 51 51 TYR CA C 51 61.795 61.795 62.090 -0.295 25716 9821 1 20 . 1 1 51 51 TYR CB C 51 38.036 38.036 38.359 -0.323 25716 9822 1 20 . 1 1 51 51 TYR H H 51 7.774 7.774 7.445 0.329 25716 9823 1 20 . 1 1 52 52 ILE N N 52 118.347 118.347 119.022 -0.675 25716 9824 1 20 . 1 1 52 52 ILE HA H 52 3.283 3.283 3.629 -0.346 25716 9825 1 20 . 1 1 52 52 ILE C C 52 175.421 175.421 178.160 -2.739 25716 9826 1 20 . 1 1 52 52 ILE CA C 52 65.477 65.477 64.594 0.883 25716 9827 1 20 . 1 1 52 52 ILE CB C 52 38.703 38.703 37.811 0.892 25716 9828 1 20 . 1 1 52 52 ILE H H 52 8.388 8.388 8.507 -0.119 25716 9829 1 20 . 1 1 53 53 ARG N N 53 121.323 121.323 118.985 2.338 25716 9830 1 20 . 1 1 53 53 ARG HA H 53 3.920 3.920 4.048 -0.128 25716 9831 1 20 . 1 1 53 53 ARG C C 53 176.463 176.463 178.102 -1.639 25716 9832 1 20 . 1 1 53 53 ARG CA C 53 59.458 59.458 59.679 -0.221 25716 9833 1 20 . 1 1 53 53 ARG CB C 53 30.296 30.296 29.996 0.300 25716 9834 1 20 . 1 1 53 53 ARG H H 53 7.831 7.831 7.929 -0.098 25716 9835 1 20 . 1 1 54 54 ASP N N 54 119.945 119.945 118.476 1.469 25716 9836 1 20 . 1 1 54 54 ASP HA H 54 4.319 4.319 4.475 -0.156 25716 9837 1 20 . 1 1 54 54 ASP C C 54 175.314 175.314 177.751 -2.437 25716 9838 1 20 . 1 1 54 54 ASP CA C 54 57.126 57.126 56.487 0.639 25716 9839 1 20 . 1 1 54 54 ASP CB C 54 40.074 40.074 41.142 -1.068 25716 9840 1 20 . 1 1 54 54 ASP H H 54 8.760 8.760 7.543 1.217 25716 9841 1 20 . 1 1 55 55 GLU N N 55 117.530 117.530 119.138 -1.608 25716 9842 1 20 . 1 1 55 55 GLU HA H 55 4.239 4.239 4.022 0.217 25716 9843 1 20 . 1 1 55 55 GLU C C 55 175.224 175.224 178.170 -2.946 25716 9844 1 20 . 1 1 55 55 GLU CA C 55 56.852 56.852 58.260 -1.408 25716 9845 1 20 . 1 1 55 55 GLU CB C 55 29.329 29.329 29.418 -0.089 25716 9846 1 20 . 1 1 55 55 GLU H H 55 8.701 8.701 8.065 0.636 25716 9847 1 20 . 1 1 56 56 MET N N 56 113.874 113.874 115.935 -2.061 25716 9848 1 20 . 1 1 56 56 MET HA H 56 4.566 4.566 4.346 0.220 25716 9849 1 20 . 1 1 56 56 MET C C 56 173.968 173.968 176.953 -2.985 25716 9850 1 20 . 1 1 56 56 MET CA C 56 55.539 55.539 55.391 0.148 25716 9851 1 20 . 1 1 56 56 MET CB C 56 34.094 34.094 33.580 0.514 25716 9852 1 20 . 1 1 56 56 MET H H 56 7.464 7.464 7.681 -0.217 25716 9853 1 20 . 1 1 57 57 GLY N N 57 107.900 107.900 106.960 0.940 25716 9854 1 20 . 1 1 57 57 GLY C C 57 171.496 171.496 173.972 -2.476 25716 9855 1 20 . 1 1 57 57 GLY CA C 57 46.561 46.561 45.018 1.543 25716 9856 1 20 . 1 1 57 57 GLY H H 57 7.291 7.291 7.996 -0.705 25716 9857 1 20 . 1 1 58 58 VAL N N 58 117.126 117.126 117.142 -0.016 25716 9858 1 20 . 1 1 58 58 VAL HA H 58 4.283 4.283 4.454 -0.171 25716 9859 1 20 . 1 1 58 58 VAL C C 58 171.116 171.116 173.946 -2.830 25716 9860 1 20 . 1 1 58 58 VAL CA C 58 60.487 60.487 59.852 0.635 25716 9861 1 20 . 1 1 58 58 VAL CB C 58 34.837 34.837 34.368 0.469 25716 9862 1 20 . 1 1 58 58 VAL H H 58 6.970 6.970 7.470 -0.500 25716 9863 1 20 . 1 1 59 59 SER N N 59 122.188 122.188 124.386 -2.198 25716 9864 1 20 . 1 1 59 59 SER HA H 59 4.432 4.432 4.571 -0.139 25716 9865 1 20 . 1 1 59 59 SER C C 59 170.766 170.766 174.276 -3.510 25716 9866 1 20 . 1 1 59 59 SER CA C 59 56.563 56.563 57.546 -0.983 25716 9867 1 20 . 1 1 59 59 SER CB C 59 63.106 63.106 63.968 -0.862 25716 9868 1 20 . 1 1 59 59 SER H H 59 8.609 8.609 7.991 0.618 25716 9869 1 20 . 1 1 60 60 ILE N N 60 128.230 128.230 127.360 0.870 25716 9870 1 20 . 1 1 60 60 ILE HA H 60 4.033 4.033 4.337 -0.304 25716 9871 1 20 . 1 1 60 60 ILE CA C 60 58.127 58.127 58.618 -0.491 25716 9872 1 20 . 1 1 60 60 ILE CB C 60 38.217 38.217 37.477 0.740 25716 9873 1 20 . 1 1 60 60 ILE H H 60 8.257 8.257 8.319 -0.062 25716 9874 1 20 . 1 1 61 61 PRO HA H 61 4.501 4.501 4.764 -0.264 25716 9875 1 20 . 1 1 61 61 PRO CA C 61 62.352 62.352 62.326 0.026 25716 9876 1 20 . 1 1 61 61 PRO CB C 61 32.469 32.469 33.015 -0.546 25716 9877 1 20 . 1 1 62 62 SER HA H 62 4.058 4.058 4.133 -0.075 25716 9878 1 20 . 1 1 62 62 SER C C 62 173.269 173.269 176.588 -3.319 25716 9879 1 20 . 1 1 62 62 SER CA C 62 61.511 61.511 61.071 0.440 25716 9880 1 20 . 1 1 62 62 SER CB C 62 62.646 62.646 62.819 -0.173 25716 9881 1 20 . 1 1 63 63 THR N N 63 110.178 110.178 116.780 -6.602 25716 9882 1 20 . 1 1 63 63 THR HA H 63 4.066 4.066 4.102 -0.036 25716 9883 1 20 . 1 1 63 63 THR C C 63 172.917 172.917 175.093 -2.176 25716 9884 1 20 . 1 1 63 63 THR CA C 63 63.007 63.007 64.498 -1.491 25716 9885 1 20 . 1 1 63 63 THR CB C 63 69.323 69.323 68.746 0.577 25716 9886 1 20 . 1 1 63 63 THR H H 63 7.307 7.307 8.146 -0.839 25716 9887 1 20 . 1 1 64 64 HIS N N 64 121.862 121.862 116.623 5.239 25716 9888 1 20 . 1 1 64 64 HIS HA H 64 4.495 4.495 4.593 -0.098 25716 9889 1 20 . 1 1 64 64 HIS C C 64 171.495 171.495 175.363 -3.868 25716 9890 1 20 . 1 1 64 64 HIS CA C 64 56.203 56.203 56.873 -0.670 25716 9891 1 20 . 1 1 64 64 HIS CB C 64 29.814 29.814 30.469 -0.655 25716 9892 1 20 . 1 1 64 64 HIS H H 64 8.132 8.132 7.714 0.418 25716 9893 1 20 . 1 1 65 65 ILE N N 65 118.536 118.536 121.798 -3.262 25716 9894 1 20 . 1 1 65 65 ILE HA H 65 4.165 4.165 3.678 0.487 25716 9895 1 20 . 1 1 65 65 ILE C C 65 172.049 172.049 174.890 -2.841 25716 9896 1 20 . 1 1 65 65 ILE CA C 65 60.576 60.576 60.986 -0.410 25716 9897 1 20 . 1 1 65 65 ILE CB C 65 35.561 35.561 36.516 -0.955 25716 9898 1 20 . 1 1 65 65 ILE H H 65 7.223 7.223 7.346 -0.123 25716 9899 1 20 . 1 1 66 66 THR N N 66 114.529 114.529 121.881 -7.352 25716 9900 1 20 . 1 1 66 66 THR HA H 66 4.635 4.635 4.565 0.070 25716 9901 1 20 . 1 1 66 66 THR C C 66 172.176 172.176 175.409 -3.233 25716 9902 1 20 . 1 1 66 66 THR CA C 66 59.827 59.827 60.377 -0.550 25716 9903 1 20 . 1 1 66 66 THR CB C 66 70.679 70.679 72.021 -1.342 25716 9904 1 20 . 1 1 66 66 THR H H 66 7.943 7.943 7.836 0.107 25716 9905 1 20 . 1 1 67 67 GLY N N 67 109.454 109.454 110.753 -1.299 25716 9906 1 20 . 1 1 67 67 GLY C C 67 172.080 172.080 175.749 -3.669 25716 9907 1 20 . 1 1 67 67 GLY CA C 67 47.245 47.245 46.639 0.605 25716 9908 1 20 . 1 1 67 67 GLY H H 67 8.736 8.736 8.798 -0.062 25716 9909 1 20 . 1 1 68 68 LYS N N 68 118.551 118.551 120.856 -2.305 25716 9910 1 20 . 1 1 68 68 LYS HA H 68 3.851 3.851 3.857 -0.006 25716 9911 1 20 . 1 1 68 68 LYS C C 68 174.455 174.455 177.982 -3.527 25716 9912 1 20 . 1 1 68 68 LYS CA C 68 58.697 58.697 58.737 -0.040 25716 9913 1 20 . 1 1 68 68 LYS CB C 68 32.350 32.350 32.189 0.161 25716 9914 1 20 . 1 1 68 68 LYS H H 68 7.968 7.968 7.408 0.560 25716 9915 1 20 . 1 1 69 69 TYR N N 69 115.203 115.203 114.377 0.826 25716 9916 1 20 . 1 1 69 69 TYR HA H 69 4.213 4.213 4.474 -0.261 25716 9917 1 20 . 1 1 69 69 TYR C C 69 171.772 171.772 176.970 -5.198 25716 9918 1 20 . 1 1 69 69 TYR CA C 69 59.212 59.212 59.783 -0.571 25716 9919 1 20 . 1 1 69 69 TYR CB C 69 38.555 38.555 39.365 -0.810 25716 9920 1 20 . 1 1 69 69 TYR H H 69 6.826 6.826 7.632 -0.806 25716 9921 1 20 . 1 1 70 70 PHE N N 70 112.140 112.140 115.525 -3.385 25716 9922 1 20 . 1 1 70 70 PHE HA H 70 4.629 4.629 4.761 -0.132 25716 9923 1 20 . 1 1 70 70 PHE C C 70 171.998 171.998 176.208 -4.210 25716 9924 1 20 . 1 1 70 70 PHE CA C 70 57.245 57.245 57.913 -0.668 25716 9925 1 20 . 1 1 70 70 PHE CB C 70 40.329 40.329 38.727 1.602 25716 9926 1 20 . 1 1 70 70 PHE H H 70 7.327 7.327 8.184 -0.857 25716 9927 1 20 . 1 1 71 71 LYS N N 71 113.603 113.603 120.446 -6.843 25716 9928 1 20 . 1 1 71 71 LYS HA H 71 3.875 3.875 4.131 -0.256 25716 9929 1 20 . 1 1 71 71 LYS C C 71 172.963 172.963 175.855 -2.892 25716 9930 1 20 . 1 1 71 71 LYS CA C 71 59.667 59.667 59.162 0.505 25716 9931 1 20 . 1 1 71 71 LYS CB C 71 33.074 33.074 32.626 0.448 25716 9932 1 20 . 1 1 71 71 LYS H H 71 6.925 6.925 7.674 -0.749 25716 9933 1 20 . 1 1 72 72 ASP N N 72 110.434 110.434 117.130 -6.696 25716 9934 1 20 . 1 1 72 72 ASP HA H 72 4.441 4.441 5.169 -0.728 25716 9935 1 20 . 1 1 72 72 ASP C C 72 172.750 172.750 176.388 -3.638 25716 9936 1 20 . 1 1 72 72 ASP CA C 72 52.378 52.378 52.673 -0.295 25716 9937 1 20 . 1 1 72 72 ASP CB C 72 42.426 42.426 44.952 -2.526 25716 9938 1 20 . 1 1 72 72 ASP H H 72 7.363 7.363 7.449 -0.086 25716 9939 1 20 . 1 1 73 73 LEU N N 73 120.273 120.273 121.915 -1.642 25716 9940 1 20 . 1 1 73 73 LEU HA H 73 3.920 3.920 3.967 -0.047 25716 9941 1 20 . 1 1 73 73 LEU C C 73 176.648 176.648 177.645 -0.997 25716 9942 1 20 . 1 1 73 73 LEU CA C 73 58.120 58.120 57.341 0.779 25716 9943 1 20 . 1 1 73 73 LEU CB C 73 42.574 42.574 42.370 0.204 25716 9944 1 20 . 1 1 73 73 LEU H H 73 9.983 9.983 8.491 1.492 25716 9945 1 20 . 1 1 74 74 ASN N N 74 119.506 119.506 118.309 1.197 25716 9946 1 20 . 1 1 74 74 ASN HA H 74 4.405 4.405 4.237 0.168 25716 9947 1 20 . 1 1 74 74 ASN C C 74 174.659 174.659 176.969 -2.310 25716 9948 1 20 . 1 1 74 74 ASN CA C 74 56.287 56.287 57.183 -0.896 25716 9949 1 20 . 1 1 74 74 ASN CB C 74 37.579 37.579 38.369 -0.790 25716 9950 1 20 . 1 1 74 74 ASN H H 74 7.893 7.893 8.521 -0.628 25716 9951 1 20 . 1 1 75 75 ALA N N 75 125.068 125.068 122.110 2.958 25716 9952 1 20 . 1 1 75 75 ALA HA H 75 4.097 4.097 4.233 -0.136 25716 9953 1 20 . 1 1 75 75 ALA C C 75 177.809 177.809 180.189 -2.380 25716 9954 1 20 . 1 1 75 75 ALA CA C 75 55.365 55.365 54.682 0.683 25716 9955 1 20 . 1 1 75 75 ALA CB C 75 18.572 18.572 18.535 0.037 25716 9956 1 20 . 1 1 75 75 ALA H H 75 8.951 8.951 7.332 1.619 25716 9957 1 20 . 1 1 76 76 ILE N N 76 119.561 119.561 119.244 0.317 25716 9958 1 20 . 1 1 76 76 ILE HA H 76 3.615 3.615 3.601 0.014 25716 9959 1 20 . 1 1 76 76 ILE C C 76 175.344 175.344 178.166 -2.822 25716 9960 1 20 . 1 1 76 76 ILE CA C 76 65.272 65.272 63.788 1.484 25716 9961 1 20 . 1 1 76 76 ILE CB C 76 39.056 39.056 36.469 2.587 25716 9962 1 20 . 1 1 76 76 ILE H H 76 8.386 8.386 8.085 0.301 25716 9963 1 20 . 1 1 77 77 SER N N 77 114.090 114.090 115.335 -1.245 25716 9964 1 20 . 1 1 77 77 SER HA H 77 3.878 3.878 4.220 -0.342 25716 9965 1 20 . 1 1 77 77 SER C C 77 173.592 173.592 176.593 -3.001 25716 9966 1 20 . 1 1 77 77 SER CA C 77 62.733 62.733 61.535 1.198 25716 9967 1 20 . 1 1 77 77 SER CB C 77 62.864 62.864 63.185 -0.321 25716 9968 1 20 . 1 1 77 77 SER H H 77 8.250 8.250 8.259 -0.009 25716 9969 1 20 . 1 1 78 78 ARG N N 78 121.670 121.670 119.767 1.903 25716 9970 1 20 . 1 1 78 78 ARG HA H 78 4.129 4.129 4.328 -0.199 25716 9971 1 20 . 1 1 78 78 ARG C C 78 176.111 176.111 178.799 -2.688 25716 9972 1 20 . 1 1 78 78 ARG CA C 78 59.328 59.328 58.988 0.340 25716 9973 1 20 . 1 1 78 78 ARG CB C 78 29.814 29.814 29.436 0.378 25716 9974 1 20 . 1 1 78 78 ARG H H 78 8.086 8.086 8.012 0.074 25716 9975 1 20 . 1 1 79 79 THR N N 79 118.928 118.928 114.323 4.605 25716 9976 1 20 . 1 1 79 79 THR HA H 79 4.525 4.525 4.121 0.404 25716 9977 1 20 . 1 1 79 79 THR C C 79 173.364 173.364 176.199 -2.835 25716 9978 1 20 . 1 1 79 79 THR CA C 79 68.289 68.289 65.239 3.050 25716 9979 1 20 . 1 1 79 79 THR CB C 79 67.268 67.268 68.682 -1.414 25716 9980 1 20 . 1 1 79 79 THR H H 79 8.351 8.351 7.465 0.886 25716 9981 1 20 . 1 1 80 80 VAL N N 80 120.643 120.643 122.180 -1.537 25716 9982 1 20 . 1 1 80 80 VAL HA H 80 3.339 3.339 3.520 -0.181 25716 9983 1 20 . 1 1 80 80 VAL C C 80 174.438 174.438 177.455 -3.017 25716 9984 1 20 . 1 1 80 80 VAL CA C 80 67.603 67.603 66.458 1.145 25716 9985 1 20 . 1 1 80 80 VAL CB C 80 31.532 31.532 31.584 -0.052 25716 9986 1 20 . 1 1 80 80 VAL H H 80 8.242 8.242 7.550 0.692 25716 9987 1 20 . 1 1 81 81 GLU N N 81 118.067 118.067 118.501 -0.434 25716 9988 1 20 . 1 1 81 81 GLU HA H 81 3.943 3.943 3.969 -0.026 25716 9989 1 20 . 1 1 81 81 GLU C C 81 176.961 176.961 178.730 -1.769 25716 9990 1 20 . 1 1 81 81 GLU CA C 81 59.974 59.974 59.188 0.786 25716 9991 1 20 . 1 1 81 81 GLU CB C 81 29.817 29.817 29.122 0.695 25716 9992 1 20 . 1 1 81 81 GLU H H 81 8.296 8.296 8.349 -0.053 25716 9993 1 20 . 1 1 82 82 GLN N N 82 119.947 119.947 119.284 0.663 25716 9994 1 20 . 1 1 82 82 GLN HA H 82 4.110 4.110 4.189 -0.079 25716 9995 1 20 . 1 1 82 82 GLN C C 82 176.023 176.023 177.754 -1.731 25716 9996 1 20 . 1 1 82 82 GLN CA C 82 58.991 58.991 57.983 1.008 25716 9997 1 20 . 1 1 82 82 GLN CB C 82 28.136 28.136 28.619 -0.483 25716 9998 1 20 . 1 1 82 82 GLN H H 82 8.444 8.444 7.547 0.897 25716 9999 1 20 . 1 1 83 83 LEU N N 83 119.916 119.916 120.027 -0.111 25716 10000 1 20 . 1 1 83 83 LEU HA H 83 4.075 4.075 3.947 0.128 25716 10001 1 20 . 1 1 83 83 LEU C C 83 177.753 177.753 178.834 -1.081 25716 10002 1 20 . 1 1 83 83 LEU CA C 83 57.453 57.453 57.058 0.395 25716 10003 1 20 . 1 1 83 83 LEU CB C 83 41.673 41.673 41.480 0.193 25716 10004 1 20 . 1 1 83 83 LEU H H 83 8.149 8.149 8.200 -0.051 25716 10005 1 20 . 1 1 84 84 LYS N N 84 121.059 121.059 120.212 0.847 25716 10006 1 20 . 1 1 84 84 LYS HA H 84 3.951 3.951 3.956 -0.005 25716 10007 1 20 . 1 1 84 84 LYS C C 84 176.055 176.055 178.540 -2.485 25716 10008 1 20 . 1 1 84 84 LYS CA C 84 59.328 59.328 59.557 -0.229 25716 10009 1 20 . 1 1 84 84 LYS CB C 84 32.291 32.291 32.222 0.069 25716 10010 1 20 . 1 1 84 84 LYS H H 84 8.373 8.373 8.288 0.085 25716 10011 1 20 . 1 1 85 85 ALA N N 85 122.134 122.134 121.837 0.297 25716 10012 1 20 . 1 1 85 85 ALA HA H 85 4.188 4.188 4.120 0.068 25716 10013 1 20 . 1 1 85 85 ALA C C 85 177.240 177.240 179.962 -2.722 25716 10014 1 20 . 1 1 85 85 ALA CA C 85 54.423 54.423 55.060 -0.637 25716 10015 1 20 . 1 1 85 85 ALA CB C 85 18.193 18.193 18.060 0.133 25716 10016 1 20 . 1 1 85 85 ALA H H 85 7.854 7.854 7.445 0.409 25716 10017 1 20 . 1 1 86 86 GLU N N 86 117.813 117.813 117.901 -0.088 25716 10018 1 20 . 1 1 86 86 GLU HA H 86 4.115 4.115 4.156 -0.041 25716 10019 1 20 . 1 1 86 86 GLU C C 86 175.547 175.547 178.812 -3.265 25716 10020 1 20 . 1 1 86 86 GLU CA C 86 58.199 58.199 58.480 -0.281 25716 10021 1 20 . 1 1 86 86 GLU CB C 86 29.841 29.841 29.215 0.626 25716 10022 1 20 . 1 1 86 86 GLU H H 86 8.059 8.059 7.931 0.128 25716 10023 1 20 . 1 1 87 87 SER N N 87 114.771 114.771 113.952 0.819 25716 10024 1 20 . 1 1 87 87 SER HA H 87 4.362 4.362 4.399 -0.037 25716 10025 1 20 . 1 1 87 87 SER C C 87 172.405 172.405 175.477 -3.072 25716 10026 1 20 . 1 1 87 87 SER CA C 87 59.806 59.806 59.029 0.777 25716 10027 1 20 . 1 1 87 87 SER CB C 87 63.528 63.528 63.381 0.147 25716 10028 1 20 . 1 1 87 87 SER H H 87 7.908 7.908 7.876 0.032 25716 10029 1 20 . 1 1 88 88 ALA N N 88 124.277 124.277 123.893 0.384 25716 10030 1 20 . 1 1 88 88 ALA HA H 88 4.284 4.284 4.107 0.177 25716 10031 1 20 . 1 1 88 88 ALA C C 88 175.489 175.489 178.900 -3.411 25716 10032 1 20 . 1 1 88 88 ALA CA C 88 53.087 53.087 54.342 -1.255 25716 10033 1 20 . 1 1 88 88 ALA CB C 88 18.792 18.792 18.916 -0.124 25716 10034 1 20 . 1 1 88 88 ALA H H 88 7.812 7.812 7.787 0.025 25716 10035 1 20 . 1 1 89 89 LEU N N 89 119.411 119.411 118.336 1.075 25716 10036 1 20 . 1 1 89 89 LEU HA H 89 4.219 4.219 4.234 -0.015 25716 10037 1 20 . 1 1 89 89 LEU C C 89 175.025 175.025 177.396 -2.371 25716 10038 1 20 . 1 1 89 89 LEU CA C 89 55.608 55.608 55.644 -0.036 25716 10039 1 20 . 1 1 89 89 LEU CB C 89 42.213 42.213 41.405 0.808 25716 10040 1 20 . 1 1 89 89 LEU H H 89 7.769 7.769 7.885 -0.116 25716 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 83 2.683 0.380 2.672 25716 2 1 1 "Average Difference" HA 93 0.223 0.001 0.225 25716 3 1 1 "Average Difference" C 82 3.084 2.927 0.976 25716 4 1 1 "Average Difference" CA 88 0.936 -0.069 0.939 25716 5 1 1 "Average Difference" CB 83 0.926 -0.164 0.917 25716 6 1 1 "Average Difference" HN 83 0.457 -0.154 0.433 25716 7 1 2 "Average Difference" N 83 2.725 0.258 2.729 25716 8 1 2 "Average Difference" HA 93 0.210 0.046 0.206 25716 9 1 2 "Average Difference" C 82 2.937 2.797 0.901 25716 10 1 2 "Average Difference" CA 88 1.028 -0.224 1.009 25716 11 1 2 "Average Difference" CB 83 0.856 -0.077 0.858 25716 12 1 2 "Average Difference" HN 83 0.535 -0.181 0.506 25716 13 1 3 "Average Difference" N 83 2.547 0.223 2.553 25716 14 1 3 "Average Difference" HA 93 0.212 0.038 0.210 25716 15 1 3 "Average Difference" C 82 2.953 2.811 0.909 25716 16 1 3 "Average Difference" CA 88 0.965 -0.111 0.964 25716 17 1 3 "Average Difference" CB 83 0.934 -0.086 0.935 25716 18 1 3 "Average Difference" HN 83 0.495 -0.133 0.479 25716 19 1 4 "Average Difference" N 83 2.826 0.381 2.817 25716 20 1 4 "Average Difference" HA 93 0.220 0.017 0.220 25716 21 1 4 "Average Difference" C 82 3.073 2.911 0.991 25716 22 1 4 "Average Difference" CA 88 0.982 -0.085 0.984 25716 23 1 4 "Average Difference" CB 83 0.933 -0.131 0.930 25716 24 1 4 "Average Difference" HN 83 0.512 -0.148 0.493 25716 25 1 5 "Average Difference" N 83 2.737 0.329 2.733 25716 26 1 5 "Average Difference" HA 93 0.223 0.039 0.220 25716 27 1 5 "Average Difference" C 82 2.981 2.832 0.939 25716 28 1 5 "Average Difference" CA 88 0.975 -0.176 0.965 25716 29 1 5 "Average Difference" CB 83 0.973 -0.191 0.960 25716 30 1 5 "Average Difference" HN 83 0.484 -0.157 0.461 25716 31 1 6 "Average Difference" N 83 2.634 0.223 2.640 25716 32 1 6 "Average Difference" HA 93 0.218 0.038 0.216 25716 33 1 6 "Average Difference" C 82 2.975 2.834 0.908 25716 34 1 6 "Average Difference" CA 88 0.926 -0.128 0.923 25716 35 1 6 "Average Difference" CB 83 0.913 -0.087 0.914 25716 36 1 6 "Average Difference" HN 83 0.497 -0.149 0.477 25716 37 1 7 "Average Difference" N 83 2.619 0.136 2.631 25716 38 1 7 "Average Difference" HA 93 0.231 0.034 0.230 25716 39 1 7 "Average Difference" C 82 2.996 2.843 0.951 25716 40 1 7 "Average Difference" CA 88 0.993 -0.164 0.985 25716 41 1 7 "Average Difference" CB 83 0.844 -0.157 0.835 25716 42 1 7 "Average Difference" HN 83 0.522 -0.185 0.491 25716 43 1 8 "Average Difference" N 83 2.764 0.276 2.767 25716 44 1 8 "Average Difference" HA 93 0.224 0.012 0.225 25716 45 1 8 "Average Difference" C 82 3.044 2.885 0.977 25716 46 1 8 "Average Difference" CA 88 0.938 -0.101 0.938 25716 47 1 8 "Average Difference" CB 83 0.884 -0.149 0.877 25716 48 1 8 "Average Difference" HN 83 0.483 -0.167 0.456 25716 49 1 9 "Average Difference" N 83 2.728 0.252 2.733 25716 50 1 9 "Average Difference" HA 93 0.209 0.006 0.210 25716 51 1 9 "Average Difference" C 82 3.059 2.925 0.900 25716 52 1 9 "Average Difference" CA 88 0.921 -0.062 0.924 25716 53 1 9 "Average Difference" CB 83 0.796 -0.102 0.795 25716 54 1 9 "Average Difference" HN 83 0.508 -0.167 0.483 25716 55 1 10 "Average Difference" N 83 2.760 0.305 2.759 25716 56 1 10 "Average Difference" HA 93 0.221 0.039 0.218 25716 57 1 10 "Average Difference" C 82 2.985 2.823 0.979 25716 58 1 10 "Average Difference" CA 88 1.056 -0.132 1.054 25716 59 1 10 "Average Difference" CB 83 0.924 -0.147 0.917 25716 60 1 10 "Average Difference" HN 83 0.513 -0.162 0.489 25716 61 1 11 "Average Difference" N 83 2.766 0.132 2.780 25716 62 1 11 "Average Difference" HA 93 0.198 0.029 0.197 25716 63 1 11 "Average Difference" C 82 2.867 2.740 0.850 25716 64 1 11 "Average Difference" CA 88 0.944 -0.206 0.926 25716 65 1 11 "Average Difference" CB 83 0.920 -0.138 0.915 25716 66 1 11 "Average Difference" HN 83 0.510 -0.236 0.455 25716 67 1 12 "Average Difference" N 83 2.554 0.307 2.551 25716 68 1 12 "Average Difference" HA 93 0.215 0.025 0.215 25716 69 1 12 "Average Difference" C 82 2.999 2.830 0.998 25716 70 1 12 "Average Difference" CA 88 0.922 -0.102 0.922 25716 71 1 12 "Average Difference" CB 83 0.845 -0.179 0.831 25716 72 1 12 "Average Difference" HN 83 0.485 -0.136 0.469 25716 73 1 13 "Average Difference" N 83 2.763 0.256 2.768 25716 74 1 13 "Average Difference" HA 93 0.223 0.038 0.221 25716 75 1 13 "Average Difference" C 82 2.908 2.750 0.953 25716 76 1 13 "Average Difference" CA 88 0.987 -0.178 0.977 25716 77 1 13 "Average Difference" CB 83 0.974 -0.134 0.971 25716 78 1 13 "Average Difference" HN 83 0.514 -0.152 0.495 25716 79 1 14 "Average Difference" N 83 2.642 0.188 2.651 25716 80 1 14 "Average Difference" HA 93 0.205 0.063 0.196 25716 81 1 14 "Average Difference" C 82 2.897 2.752 0.912 25716 82 1 14 "Average Difference" CA 88 0.981 -0.235 0.958 25716 83 1 14 "Average Difference" CB 83 0.916 -0.125 0.912 25716 84 1 14 "Average Difference" HN 83 0.475 -0.154 0.452 25716 85 1 15 "Average Difference" N 83 2.591 0.204 2.599 25716 86 1 15 "Average Difference" HA 93 0.234 0.011 0.235 25716 87 1 15 "Average Difference" C 82 3.060 2.913 0.942 25716 88 1 15 "Average Difference" CA 88 0.925 -0.167 0.915 25716 89 1 15 "Average Difference" CB 83 0.865 -0.193 0.848 25716 90 1 15 "Average Difference" HN 83 0.480 -0.144 0.460 25716 91 1 16 "Average Difference" N 83 2.799 0.261 2.804 25716 92 1 16 "Average Difference" HA 93 0.203 0.025 0.202 25716 93 1 16 "Average Difference" C 82 2.996 2.840 0.960 25716 94 1 16 "Average Difference" CA 88 0.922 -0.097 0.922 25716 95 1 16 "Average Difference" CB 83 0.969 -0.166 0.960 25716 96 1 16 "Average Difference" HN 83 0.512 -0.138 0.496 25716 97 1 17 "Average Difference" N 83 2.650 0.286 2.651 25716 98 1 17 "Average Difference" HA 93 0.227 0.024 0.227 25716 99 1 17 "Average Difference" C 82 3.018 2.867 0.948 25716 100 1 17 "Average Difference" CA 88 0.980 -0.150 0.974 25716 101 1 17 "Average Difference" CB 83 0.944 -0.106 0.943 25716 102 1 17 "Average Difference" HN 83 0.515 -0.174 0.488 25716 103 1 18 "Average Difference" N 83 2.804 0.334 2.801 25716 104 1 18 "Average Difference" HA 93 0.227 0.028 0.226 25716 105 1 18 "Average Difference" C 82 3.037 2.871 0.998 25716 106 1 18 "Average Difference" CA 88 1.035 -0.105 1.036 25716 107 1 18 "Average Difference" CB 83 0.893 -0.073 0.896 25716 108 1 18 "Average Difference" HN 83 0.529 -0.172 0.504 25716 109 1 19 "Average Difference" N 83 2.610 0.165 2.620 25716 110 1 19 "Average Difference" HA 93 0.241 0.036 0.240 25716 111 1 19 "Average Difference" C 82 3.035 2.900 0.902 25716 112 1 19 "Average Difference" CA 88 0.993 -0.122 0.991 25716 113 1 19 "Average Difference" CB 83 0.951 -0.147 0.945 25716 114 1 19 "Average Difference" HN 83 0.524 -0.172 0.498 25716 115 1 20 "Average Difference" N 83 2.876 0.394 2.866 25716 116 1 20 "Average Difference" HA 93 0.227 0.029 0.226 25716 117 1 20 "Average Difference" C 82 2.977 2.830 0.929 25716 118 1 20 "Average Difference" CA 88 0.918 -0.113 0.916 25716 119 1 20 "Average Difference" CB 83 0.970 -0.137 0.966 25716 120 1 20 "Average Difference" HN 83 0.521 -0.165 0.498 25716 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 25716 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASP HA H 2 4.704 4.704 4.803 -0.099 25716 2 1 . 1 1 2 2 ASP C C 2 173.822 173.822 176.803 -2.981 25716 3 1 . 1 1 2 2 ASP CA C 2 54.130 54.130 54.024 0.106 25716 4 1 . 1 1 2 2 ASP CB C 2 41.601 41.601 42.344 -0.743 25716 5 1 . 1 1 3 3 GLY N N 3 109.376 109.376 109.317 0.059 25716 6 1 . 1 1 3 3 GLY C C 3 172.786 172.786 175.612 -2.826 25716 7 1 . 1 1 3 3 GLY CA C 3 46.704 46.704 46.824 -0.120 25716 8 1 . 1 1 3 3 GLY H H 3 8.712 8.712 8.566 0.146 25716 9 1 . 1 1 4 4 GLU N N 4 120.623 120.623 121.067 -0.444 25716 10 1 . 1 1 4 4 GLU HA H 4 4.207 4.207 4.055 0.152 25716 11 1 . 1 1 4 4 GLU C C 4 175.198 175.198 178.406 -3.208 25716 12 1 . 1 1 4 4 GLU CA C 4 58.159 58.159 58.688 -0.528 25716 13 1 . 1 1 4 4 GLU CB C 4 29.793 29.793 29.005 0.788 25716 14 1 . 1 1 4 4 GLU H H 4 8.280 8.280 8.554 -0.274 25716 15 1 . 1 1 5 5 GLU N N 5 121.684 121.684 120.150 1.534 25716 16 1 . 1 1 5 5 GLU HA H 5 4.173 4.173 4.147 0.026 25716 17 1 . 1 1 5 5 GLU C C 5 175.720 175.720 178.848 -3.128 25716 18 1 . 1 1 5 5 GLU CA C 5 58.648 58.648 59.017 -0.369 25716 19 1 . 1 1 5 5 GLU CB C 5 29.819 29.819 29.298 0.521 25716 20 1 . 1 1 5 5 GLU H H 5 8.254 8.254 7.942 0.312 25716 21 1 . 1 1 6 6 VAL N N 6 120.195 120.195 119.939 0.256 25716 22 1 . 1 1 6 6 VAL HA H 6 3.594 3.594 3.671 -0.077 25716 23 1 . 1 1 6 6 VAL C C 6 174.638 174.638 177.969 -3.331 25716 24 1 . 1 1 6 6 VAL CA C 6 66.621 66.621 66.267 0.354 25716 25 1 . 1 1 6 6 VAL CB C 6 32.041 32.041 31.524 0.517 25716 26 1 . 1 1 6 6 VAL H H 6 8.137 8.137 7.856 0.281 25716 27 1 . 1 1 7 7 LYS N N 7 118.688 118.688 119.304 -0.616 25716 28 1 . 1 1 7 7 LYS HA H 7 3.776 3.776 3.956 -0.180 25716 29 1 . 1 1 7 7 LYS C C 7 175.192 175.192 178.871 -3.679 25716 30 1 . 1 1 7 7 LYS CA C 7 60.903 60.903 60.233 0.670 25716 31 1 . 1 1 7 7 LYS CB C 7 32.251 32.251 32.192 0.059 25716 32 1 . 1 1 7 7 LYS H H 7 8.099 8.099 7.722 0.377 25716 33 1 . 1 1 8 8 GLU N N 8 117.138 117.138 118.885 -1.747 25716 34 1 . 1 1 8 8 GLU HA H 8 4.188 4.188 4.055 0.133 25716 35 1 . 1 1 8 8 GLU C C 8 176.405 176.405 178.907 -2.502 25716 36 1 . 1 1 8 8 GLU CA C 8 58.635 58.635 59.190 -0.555 25716 37 1 . 1 1 8 8 GLU CB C 8 29.149 29.149 29.127 0.022 25716 38 1 . 1 1 8 8 GLU H H 8 7.875 7.875 8.081 -0.206 25716 39 1 . 1 1 9 9 LYS N N 9 119.639 119.639 120.010 -0.371 25716 40 1 . 1 1 9 9 LYS HA H 9 4.072 4.072 4.169 -0.097 25716 41 1 . 1 1 9 9 LYS C C 9 177.376 177.376 179.174 -1.798 25716 42 1 . 1 1 9 9 LYS CA C 9 59.994 59.994 59.697 0.297 25716 43 1 . 1 1 9 9 LYS CB C 9 32.471 32.471 32.604 -0.133 25716 44 1 . 1 1 9 9 LYS H H 9 8.102 8.102 7.829 0.273 25716 45 1 . 1 1 10 10 ILE N N 10 119.456 119.456 119.013 0.443 25716 46 1 . 1 1 10 10 ILE HA H 10 3.713 3.713 3.740 -0.027 25716 47 1 . 1 1 10 10 ILE C C 10 174.153 174.153 177.835 -3.682 25716 48 1 . 1 1 10 10 ILE CA C 10 65.549 65.549 65.072 0.477 25716 49 1 . 1 1 10 10 ILE CB C 10 37.522 37.522 37.943 -0.421 25716 50 1 . 1 1 10 10 ILE H H 10 8.210 8.210 7.907 0.303 25716 51 1 . 1 1 11 11 ARG N N 11 121.172 121.172 119.388 1.784 25716 52 1 . 1 1 11 11 ARG HA H 11 3.608 3.608 4.015 -0.407 25716 53 1 . 1 1 11 11 ARG C C 11 174.925 174.925 178.360 -3.435 25716 54 1 . 1 1 11 11 ARG CA C 11 60.617 60.617 58.902 1.715 25716 55 1 . 1 1 11 11 ARG CB C 11 30.480 30.480 29.306 1.174 25716 56 1 . 1 1 11 11 ARG H H 11 8.851 8.851 8.281 0.570 25716 57 1 . 1 1 12 12 ARG N N 12 116.578 116.578 120.034 -3.455 25716 58 1 . 1 1 12 12 ARG HA H 12 3.935 3.935 4.132 -0.197 25716 59 1 . 1 1 12 12 ARG C C 12 174.817 174.817 178.410 -3.593 25716 60 1 . 1 1 12 12 ARG CA C 12 59.162 59.162 58.563 0.599 25716 61 1 . 1 1 12 12 ARG CB C 12 29.476 29.476 29.598 -0.122 25716 62 1 . 1 1 12 12 ARG H H 12 8.126 8.126 7.760 0.366 25716 63 1 . 1 1 13 13 TYR N N 13 119.994 119.994 121.043 -1.049 25716 64 1 . 1 1 13 13 TYR HA H 13 4.047 4.047 4.116 -0.069 25716 65 1 . 1 1 13 13 TYR C C 13 175.273 175.273 177.736 -2.463 25716 66 1 . 1 1 13 13 TYR CA C 13 61.856 61.856 60.932 0.924 25716 67 1 . 1 1 13 13 TYR CB C 13 38.459 38.459 37.736 0.723 25716 68 1 . 1 1 13 13 TYR H H 13 7.758 7.758 7.695 0.063 25716 69 1 . 1 1 14 14 ILE N N 14 117.754 117.754 119.546 -1.792 25716 70 1 . 1 1 14 14 ILE HA H 14 3.239 3.239 3.420 -0.181 25716 71 1 . 1 1 14 14 ILE C C 14 175.425 175.425 177.300 -1.875 25716 72 1 . 1 1 14 14 ILE CA C 14 65.826 65.826 65.490 0.335 25716 73 1 . 1 1 14 14 ILE CB C 14 37.782 37.782 37.646 0.136 25716 74 1 . 1 1 14 14 ILE H H 14 8.464 8.464 8.005 0.459 25716 75 1 . 1 1 15 15 MET N N 15 116.173 116.173 117.411 -1.238 25716 76 1 . 1 1 15 15 MET HA H 15 3.939 3.939 4.104 -0.165 25716 77 1 . 1 1 15 15 MET C C 15 174.676 174.676 177.975 -3.299 25716 78 1 . 1 1 15 15 MET CA C 15 59.276 59.276 59.038 0.238 25716 79 1 . 1 1 15 15 MET CB C 15 32.885 32.885 32.324 0.561 25716 80 1 . 1 1 15 15 MET H H 15 8.265 8.265 7.450 0.815 25716 81 1 . 1 1 16 16 GLU N N 16 116.398 116.398 118.227 -1.829 25716 82 1 . 1 1 16 16 GLU HA H 16 3.980 3.980 4.084 -0.104 25716 83 1 . 1 1 16 16 GLU C C 16 175.158 175.158 178.457 -3.299 25716 84 1 . 1 1 16 16 GLU CA C 16 58.767 58.767 58.618 0.150 25716 85 1 . 1 1 16 16 GLU CB C 16 30.078 30.078 29.639 0.439 25716 86 1 . 1 1 16 16 GLU H H 16 8.619 8.619 7.736 0.883 25716 87 1 . 1 1 17 17 ASP N N 17 116.973 116.973 118.280 -1.307 25716 88 1 . 1 1 17 17 ASP HA H 17 4.591 4.591 4.481 0.110 25716 89 1 . 1 1 17 17 ASP C C 17 174.240 174.240 178.108 -3.868 25716 90 1 . 1 1 17 17 ASP CA C 17 55.438 55.438 55.715 -0.277 25716 91 1 . 1 1 17 17 ASP CB C 17 42.657 42.657 41.167 1.490 25716 92 1 . 1 1 17 17 ASP H H 17 8.119 8.119 7.741 0.378 25716 93 1 . 1 1 18 18 LEU N N 18 115.667 115.667 119.720 -4.053 25716 94 1 . 1 1 18 18 LEU HA H 18 4.488 4.488 4.104 0.384 25716 95 1 . 1 1 18 18 LEU C C 18 175.062 175.062 177.901 -2.839 25716 96 1 . 1 1 18 18 LEU CA C 18 56.075 56.075 56.887 -0.812 25716 97 1 . 1 1 18 18 LEU CB C 18 41.096 41.096 42.435 -1.339 25716 98 1 . 1 1 18 18 LEU H H 18 7.162 7.162 7.202 -0.040 25716 99 1 . 1 1 19 19 ILE N N 19 120.763 120.763 116.048 4.715 25716 100 1 . 1 1 19 19 ILE HA H 19 3.979 3.979 4.179 -0.200 25716 101 1 . 1 1 19 19 ILE C C 19 174.557 174.557 176.255 -1.698 25716 102 1 . 1 1 19 19 ILE CA C 19 63.809 63.809 61.506 2.303 25716 103 1 . 1 1 19 19 ILE CB C 19 38.044 38.044 39.651 -1.607 25716 104 1 . 1 1 19 19 ILE H H 19 8.017 8.017 7.966 0.051 25716 105 1 . 1 1 20 20 GLY N N 20 108.619 108.619 108.933 -0.314 25716 106 1 . 1 1 20 20 GLY CA C 20 44.560 44.560 45.151 -0.591 25716 107 1 . 1 1 20 20 GLY H H 20 8.126 8.126 8.251 -0.125 25716 108 1 . 1 1 21 21 PRO HA H 21 4.385 4.385 4.517 -0.132 25716 109 1 . 1 1 21 21 PRO C C 21 174.855 174.855 177.306 -2.452 25716 110 1 . 1 1 21 21 PRO CA C 21 64.406 64.406 63.780 0.626 25716 111 1 . 1 1 21 21 PRO CB C 21 32.027 32.027 31.952 0.075 25716 112 1 . 1 1 22 22 SER N N 22 114.165 114.165 115.316 -1.150 25716 113 1 . 1 1 22 22 SER HA H 22 4.394 4.394 4.429 -0.035 25716 114 1 . 1 1 22 22 SER C C 22 171.708 171.708 173.797 -2.089 25716 115 1 . 1 1 22 22 SER CA C 22 58.871 58.871 57.982 0.889 25716 116 1 . 1 1 22 22 SER CB C 22 63.473 63.473 62.235 1.238 25716 117 1 . 1 1 22 22 SER H H 22 8.279 8.279 8.134 0.145 25716 118 1 . 1 1 23 23 ALA N N 23 125.151 125.151 124.652 0.499 25716 119 1 . 1 1 23 23 ALA HA H 23 4.250 4.250 4.571 -0.321 25716 120 1 . 1 1 23 23 ALA C C 23 174.903 174.903 175.884 -0.981 25716 121 1 . 1 1 23 23 ALA CA C 23 52.851 52.851 51.465 1.386 25716 122 1 . 1 1 23 23 ALA CB C 23 19.376 19.376 19.595 -0.219 25716 123 1 . 1 1 23 23 ALA H H 23 8.040 8.040 7.437 0.603 25716 124 1 . 1 1 24 24 LYS N N 24 120.823 120.823 121.784 -0.961 25716 125 1 . 1 1 24 24 LYS HA H 24 4.346 4.346 4.231 0.115 25716 126 1 . 1 1 24 24 LYS C C 24 174.522 174.522 178.275 -3.753 25716 127 1 . 1 1 24 24 LYS CA C 24 55.938 55.938 55.733 0.205 25716 128 1 . 1 1 24 24 LYS CB C 24 33.187 33.187 33.268 -0.081 25716 129 1 . 1 1 24 24 LYS H H 24 8.306 8.306 8.020 0.286 25716 130 1 . 1 1 25 25 GLU N N 25 121.186 121.186 120.653 0.533 25716 131 1 . 1 1 25 25 GLU HA H 25 4.114 4.114 4.027 0.087 25716 132 1 . 1 1 25 25 GLU C C 25 173.808 173.808 176.539 -2.731 25716 133 1 . 1 1 25 25 GLU CA C 25 58.023 58.023 59.295 -1.272 25716 134 1 . 1 1 25 25 GLU CB C 25 29.769 29.769 29.594 0.175 25716 135 1 . 1 1 25 25 GLU H H 25 8.569 8.569 8.879 -0.310 25716 136 1 . 1 1 26 26 ASP N N 26 117.111 117.111 115.382 1.729 25716 137 1 . 1 1 26 26 ASP HA H 26 4.569 4.569 4.792 -0.224 25716 138 1 . 1 1 26 26 ASP C C 26 173.265 173.265 175.775 -2.510 25716 139 1 . 1 1 26 26 ASP CA C 26 54.061 54.061 53.700 0.361 25716 140 1 . 1 1 26 26 ASP CB C 26 40.742 40.742 40.894 -0.152 25716 141 1 . 1 1 26 26 ASP H H 26 8.139 8.139 8.141 -0.002 25716 142 1 . 1 1 27 27 GLU N N 27 118.932 118.932 119.660 -0.728 25716 143 1 . 1 1 27 27 GLU HA H 27 4.239 4.239 4.423 -0.184 25716 144 1 . 1 1 27 27 GLU C C 27 172.838 172.838 176.450 -3.612 25716 145 1 . 1 1 27 27 GLU CA C 27 56.645 56.645 57.905 -1.260 25716 146 1 . 1 1 27 27 GLU CB C 27 30.703 30.703 30.782 -0.079 25716 147 1 . 1 1 27 27 GLU H H 27 7.859 7.859 8.064 -0.205 25716 148 1 . 1 1 28 28 LEU N N 28 121.726 121.726 120.290 1.436 25716 149 1 . 1 1 28 28 LEU HA H 28 4.570 4.570 4.291 0.279 25716 150 1 . 1 1 28 28 LEU C C 28 172.438 172.438 175.544 -3.106 25716 151 1 . 1 1 28 28 LEU CA C 28 54.503 54.503 54.218 0.285 25716 152 1 . 1 1 28 28 LEU CB C 28 43.342 43.342 41.258 2.084 25716 153 1 . 1 1 28 28 LEU H H 28 7.671 7.671 7.751 -0.080 25716 154 1 . 1 1 29 29 ASP N N 29 126.685 126.685 123.631 3.054 25716 155 1 . 1 1 29 29 ASP HA H 29 4.822 4.822 4.784 0.038 25716 156 1 . 1 1 29 29 ASP C C 29 173.732 173.732 176.413 -2.681 25716 157 1 . 1 1 29 29 ASP CA C 29 52.855 52.855 52.929 -0.074 25716 158 1 . 1 1 29 29 ASP CB C 29 43.124 43.124 44.312 -1.188 25716 159 1 . 1 1 29 29 ASP H H 29 8.950 8.950 8.052 0.898 25716 160 1 . 1 1 30 30 ASP N N 30 120.317 120.317 119.406 0.911 25716 161 1 . 1 1 30 30 ASP HA H 30 4.247 4.247 4.380 -0.133 25716 162 1 . 1 1 30 30 ASP C C 30 172.143 172.143 176.432 -4.289 25716 163 1 . 1 1 30 30 ASP CA C 30 57.352 57.352 56.743 0.609 25716 164 1 . 1 1 30 30 ASP CB C 30 40.160 40.160 40.976 -0.816 25716 165 1 . 1 1 30 30 ASP H H 30 8.500 8.500 8.658 -0.158 25716 166 1 . 1 1 31 31 GLN N N 31 111.109 111.109 115.971 -4.862 25716 167 1 . 1 1 31 31 GLN HA H 31 4.590 4.590 4.611 -0.021 25716 168 1 . 1 1 31 31 GLN C C 31 174.343 174.343 175.466 -1.123 25716 169 1 . 1 1 31 31 GLN CA C 31 54.437 54.437 54.680 -0.243 25716 170 1 . 1 1 31 31 GLN CB C 31 30.038 30.038 29.742 0.296 25716 171 1 . 1 1 31 31 GLN H H 31 8.234 8.234 7.941 0.293 25716 172 1 . 1 1 32 32 THR N N 32 123.333 123.333 119.591 3.742 25716 173 1 . 1 1 32 32 THR HA H 32 3.856 3.856 4.218 -0.362 25716 174 1 . 1 1 32 32 THR CA C 32 62.805 62.805 61.862 0.943 25716 175 1 . 1 1 32 32 THR CB C 32 69.907 69.907 68.935 0.972 25716 176 1 . 1 1 32 32 THR H H 32 7.663 7.663 7.248 0.415 25716 177 1 . 1 1 33 33 PRO HA H 33 4.823 4.823 4.684 0.139 25716 178 1 . 1 1 33 33 PRO C C 33 172.190 172.190 177.089 -4.899 25716 179 1 . 1 1 33 33 PRO CA C 33 61.670 61.670 62.780 -1.110 25716 180 1 . 1 1 33 33 PRO CB C 33 29.880 29.880 31.420 -1.540 25716 181 1 . 1 1 34 34 LEU N N 34 126.562 126.562 124.198 2.364 25716 182 1 . 1 1 34 34 LEU HA H 34 3.820 3.820 3.738 0.082 25716 183 1 . 1 1 34 34 LEU C C 34 176.590 176.590 178.514 -1.924 25716 184 1 . 1 1 34 34 LEU CA C 34 57.808 57.808 58.126 -0.318 25716 185 1 . 1 1 34 34 LEU CB C 34 42.569 42.569 41.494 1.075 25716 186 1 . 1 1 34 34 LEU H H 34 7.988 7.988 8.046 -0.058 25716 187 1 . 1 1 35 35 LEU N N 35 117.687 117.687 117.822 -0.135 25716 188 1 . 1 1 35 35 LEU HA H 35 4.539 4.539 4.103 0.436 25716 189 1 . 1 1 35 35 LEU C C 35 178.411 178.411 179.053 -0.642 25716 190 1 . 1 1 35 35 LEU CA C 35 56.531 56.531 57.417 -0.886 25716 191 1 . 1 1 35 35 LEU CB C 35 41.338 41.338 41.781 -0.443 25716 192 1 . 1 1 35 35 LEU H H 35 8.184 8.184 7.577 0.607 25716 193 1 . 1 1 36 36 GLU N N 36 121.488 121.488 119.169 2.319 25716 194 1 . 1 1 36 36 GLU HA H 36 4.118 4.118 4.155 -0.037 25716 195 1 . 1 1 36 36 GLU C C 36 175.984 175.984 178.407 -2.423 25716 196 1 . 1 1 36 36 GLU CA C 36 59.264 59.264 58.932 0.332 25716 197 1 . 1 1 36 36 GLU CB C 36 29.608 29.608 29.242 0.366 25716 198 1 . 1 1 36 36 GLU H H 36 7.857 7.857 8.147 -0.290 25716 199 1 . 1 1 37 37 TRP N N 37 115.319 115.319 118.716 -3.397 25716 200 1 . 1 1 37 37 TRP HA H 37 4.950 4.950 4.588 0.362 25716 201 1 . 1 1 37 37 TRP C C 37 174.270 174.270 177.482 -3.212 25716 202 1 . 1 1 37 37 TRP CA C 37 56.075 56.075 58.354 -2.279 25716 203 1 . 1 1 37 37 TRP CB C 37 29.050 29.050 29.432 -0.382 25716 204 1 . 1 1 37 37 TRP H H 37 8.180 8.180 8.113 0.067 25716 205 1 . 1 1 38 38 GLY N N 38 106.793 106.793 106.990 -0.197 25716 206 1 . 1 1 38 38 GLY C C 38 171.784 171.784 175.492 -3.708 25716 207 1 . 1 1 38 38 GLY CA C 38 46.275 46.275 45.833 0.442 25716 208 1 . 1 1 38 38 GLY H H 38 7.704 7.704 7.677 0.027 25716 209 1 . 1 1 39 39 ILE N N 39 120.597 120.597 114.210 6.387 25716 210 1 . 1 1 39 39 ILE HA H 39 3.753 3.753 4.162 -0.409 25716 211 1 . 1 1 39 39 ILE C C 39 174.148 174.148 175.395 -1.247 25716 212 1 . 1 1 39 39 ILE CA C 39 63.934 63.934 62.308 1.626 25716 213 1 . 1 1 39 39 ILE CB C 39 38.673 38.673 38.366 0.307 25716 214 1 . 1 1 39 39 ILE H H 39 7.697 7.697 7.483 0.214 25716 215 1 . 1 1 40 40 LEU N N 40 115.102 115.102 121.749 -6.647 25716 216 1 . 1 1 40 40 LEU HA H 40 4.934 4.934 4.564 0.370 25716 217 1 . 1 1 40 40 LEU C C 40 172.286 172.286 175.483 -3.197 25716 218 1 . 1 1 40 40 LEU CA C 40 52.249 52.249 53.777 -1.528 25716 219 1 . 1 1 40 40 LEU CB C 40 43.454 43.454 41.475 1.979 25716 220 1 . 1 1 40 40 LEU H H 40 7.307 7.307 7.628 -0.321 25716 221 1 . 1 1 41 41 ASN N N 41 117.306 117.306 121.018 -3.712 25716 222 1 . 1 1 41 41 ASN HA H 41 4.589 4.589 4.787 -0.198 25716 223 1 . 1 1 41 41 ASN C C 41 171.807 171.807 175.307 -3.500 25716 224 1 . 1 1 41 41 ASN CA C 41 52.017 52.017 52.491 -0.474 25716 225 1 . 1 1 41 41 ASN CB C 41 39.872 39.872 40.920 -1.048 25716 226 1 . 1 1 41 41 ASN H H 41 8.466 8.466 8.261 0.205 25716 227 1 . 1 1 42 42 SER N N 42 113.236 113.236 115.787 -2.551 25716 228 1 . 1 1 42 42 SER HA H 42 4.116 4.116 4.240 -0.124 25716 229 1 . 1 1 42 42 SER C C 42 171.631 171.631 176.358 -4.727 25716 230 1 . 1 1 42 42 SER CA C 42 60.951 60.951 61.247 -0.296 25716 231 1 . 1 1 42 42 SER CB C 42 65.868 65.868 62.926 2.942 25716 232 1 . 1 1 42 42 SER H H 42 9.138 9.138 8.644 0.494 25716 233 1 . 1 1 43 43 MET N N 43 118.797 118.797 119.000 -0.203 25716 234 1 . 1 1 43 43 MET HA H 43 4.467 4.467 4.346 0.121 25716 235 1 . 1 1 43 43 MET CA C 43 57.429 57.429 57.410 0.019 25716 236 1 . 1 1 43 43 MET CB C 43 32.494 32.494 32.127 0.367 25716 237 1 . 1 1 43 43 MET H H 43 8.292 8.292 8.102 0.190 25716 238 1 . 1 1 44 44 ASN N N 44 117.701 117.701 117.180 0.521 25716 239 1 . 1 1 44 44 ASN HA H 44 4.686 4.686 4.648 0.038 25716 240 1 . 1 1 44 44 ASN C C 44 175.889 175.889 177.151 -1.262 25716 241 1 . 1 1 44 44 ASN CA C 44 53.826 53.826 54.904 -1.078 25716 242 1 . 1 1 44 44 ASN CB C 44 38.484 38.484 38.781 -0.297 25716 243 1 . 1 1 44 44 ASN H H 44 8.299 8.299 7.934 0.365 25716 244 1 . 1 1 45 45 ILE N N 45 122.124 122.124 121.636 0.488 25716 245 1 . 1 1 45 45 ILE HA H 45 3.783 3.783 3.847 -0.064 25716 246 1 . 1 1 45 45 ILE C C 45 174.370 174.370 176.996 -2.626 25716 247 1 . 1 1 45 45 ILE CA C 45 64.892 64.892 63.886 1.006 25716 248 1 . 1 1 45 45 ILE CB C 45 37.778 37.778 37.954 -0.176 25716 249 1 . 1 1 45 45 ILE H H 45 8.417 8.417 8.012 0.405 25716 250 1 . 1 1 46 46 VAL N N 46 120.176 120.176 115.940 4.236 25716 251 1 . 1 1 46 46 VAL HA H 46 3.714 3.714 3.783 -0.069 25716 252 1 . 1 1 46 46 VAL C C 46 175.129 175.129 177.345 -2.216 25716 253 1 . 1 1 46 46 VAL CA C 46 66.227 66.227 65.960 0.267 25716 254 1 . 1 1 46 46 VAL CB C 46 31.294 31.294 31.014 0.280 25716 255 1 . 1 1 46 46 VAL H H 46 7.394 7.394 7.730 -0.336 25716 256 1 . 1 1 47 47 LYS N N 47 118.640 118.640 119.749 -1.109 25716 257 1 . 1 1 47 47 LYS HA H 47 4.005 4.005 4.220 -0.215 25716 258 1 . 1 1 47 47 LYS CA C 47 60.033 60.033 59.153 0.880 25716 259 1 . 1 1 47 47 LYS CB C 47 32.093 32.093 31.922 0.171 25716 260 1 . 1 1 47 47 LYS H H 47 7.221 7.221 7.562 -0.341 25716 261 1 . 1 1 48 48 LEU N N 48 119.812 119.812 120.617 -0.805 25716 262 1 . 1 1 48 48 LEU HA H 48 4.261 4.261 4.180 0.081 25716 263 1 . 1 1 48 48 LEU C C 48 175.105 175.105 178.763 -3.658 25716 264 1 . 1 1 48 48 LEU CA C 48 57.717 57.717 57.962 -0.245 25716 265 1 . 1 1 48 48 LEU CB C 48 41.683 41.683 41.922 -0.239 25716 266 1 . 1 1 48 48 LEU H H 48 7.812 7.812 7.519 0.293 25716 267 1 . 1 1 49 49 MET N N 49 118.031 118.031 117.999 0.032 25716 268 1 . 1 1 49 49 MET HA H 49 3.919 3.919 4.127 -0.208 25716 269 1 . 1 1 49 49 MET C C 49 176.673 176.673 178.831 -2.158 25716 270 1 . 1 1 49 49 MET CA C 49 60.304 60.304 59.519 0.785 25716 271 1 . 1 1 49 49 MET CB C 49 33.071 33.071 32.598 0.473 25716 272 1 . 1 1 49 49 MET H H 49 8.583 8.583 8.013 0.570 25716 273 1 . 1 1 50 50 VAL N N 50 122.370 122.370 116.059 6.311 25716 274 1 . 1 1 50 50 VAL HA H 50 3.497 3.497 3.795 -0.298 25716 275 1 . 1 1 50 50 VAL C C 50 173.639 173.639 177.221 -3.582 25716 276 1 . 1 1 50 50 VAL CA C 50 67.182 67.182 65.524 1.658 25716 277 1 . 1 1 50 50 VAL CB C 50 31.551 31.551 31.062 0.489 25716 278 1 . 1 1 50 50 VAL H H 50 8.246 8.246 7.910 0.336 25716 279 1 . 1 1 51 51 TYR N N 51 121.444 121.444 122.137 -0.693 25716 280 1 . 1 1 51 51 TYR HA H 51 4.110 4.110 3.973 0.137 25716 281 1 . 1 1 51 51 TYR C C 51 174.688 174.688 177.147 -2.458 25716 282 1 . 1 1 51 51 TYR CA C 51 61.795 61.795 61.993 -0.198 25716 283 1 . 1 1 51 51 TYR CB C 51 38.036 38.036 38.358 -0.322 25716 284 1 . 1 1 51 51 TYR H H 51 7.774 7.774 7.364 0.410 25716 285 1 . 1 1 52 52 ILE N N 52 118.347 118.347 118.598 -0.251 25716 286 1 . 1 1 52 52 ILE HA H 52 3.283 3.283 3.641 -0.358 25716 287 1 . 1 1 52 52 ILE C C 52 175.421 175.421 178.152 -2.731 25716 288 1 . 1 1 52 52 ILE CA C 52 65.477 65.477 64.578 0.899 25716 289 1 . 1 1 52 52 ILE CB C 52 38.703 38.703 37.595 1.108 25716 290 1 . 1 1 52 52 ILE H H 52 8.388 8.388 8.437 -0.049 25716 291 1 . 1 1 53 53 ARG N N 53 121.323 121.323 119.887 1.436 25716 292 1 . 1 1 53 53 ARG HA H 53 3.920 3.920 4.021 -0.101 25716 293 1 . 1 1 53 53 ARG C C 53 176.463 176.463 177.880 -1.417 25716 294 1 . 1 1 53 53 ARG CA C 53 59.458 59.458 59.520 -0.062 25716 295 1 . 1 1 53 53 ARG CB C 53 30.296 30.296 29.838 0.458 25716 296 1 . 1 1 53 53 ARG H H 53 7.831 7.831 7.867 -0.036 25716 297 1 . 1 1 54 54 ASP N N 54 119.945 119.945 118.438 1.507 25716 298 1 . 1 1 54 54 ASP HA H 54 4.319 4.319 4.473 -0.154 25716 299 1 . 1 1 54 54 ASP C C 54 175.314 175.314 177.881 -2.567 25716 300 1 . 1 1 54 54 ASP CA C 54 57.126 57.126 56.509 0.617 25716 301 1 . 1 1 54 54 ASP CB C 54 40.074 40.074 41.004 -0.930 25716 302 1 . 1 1 54 54 ASP H H 54 8.760 8.760 7.621 1.139 25716 303 1 . 1 1 55 55 GLU N N 55 117.530 117.530 118.940 -1.410 25716 304 1 . 1 1 55 55 GLU HA H 55 4.239 4.239 3.988 0.251 25716 305 1 . 1 1 55 55 GLU C C 55 175.224 175.224 177.943 -2.719 25716 306 1 . 1 1 55 55 GLU CA C 55 56.852 56.852 57.906 -1.054 25716 307 1 . 1 1 55 55 GLU CB C 55 29.329 29.329 29.573 -0.244 25716 308 1 . 1 1 55 55 GLU H H 55 8.701 8.701 8.077 0.624 25716 309 1 . 1 1 56 56 MET N N 56 113.874 113.874 115.913 -2.039 25716 310 1 . 1 1 56 56 MET HA H 56 4.566 4.566 4.414 0.152 25716 311 1 . 1 1 56 56 MET C C 56 173.968 173.968 176.941 -2.973 25716 312 1 . 1 1 56 56 MET CA C 56 55.539 55.539 55.185 0.354 25716 313 1 . 1 1 56 56 MET CB C 56 34.094 34.094 33.639 0.455 25716 314 1 . 1 1 56 56 MET H H 56 7.464 7.464 7.633 -0.169 25716 315 1 . 1 1 57 57 GLY N N 57 107.900 107.900 106.868 1.032 25716 316 1 . 1 1 57 57 GLY C C 57 171.496 171.496 173.863 -2.367 25716 317 1 . 1 1 57 57 GLY CA C 57 46.561 46.561 45.250 1.311 25716 318 1 . 1 1 57 57 GLY H H 57 7.291 7.291 7.888 -0.597 25716 319 1 . 1 1 58 58 VAL N N 58 117.126 117.126 119.732 -2.606 25716 320 1 . 1 1 58 58 VAL HA H 58 4.283 4.283 4.279 0.004 25716 321 1 . 1 1 58 58 VAL C C 58 171.116 171.116 174.811 -3.695 25716 322 1 . 1 1 58 58 VAL CA C 58 60.487 60.487 60.614 -0.127 25716 323 1 . 1 1 58 58 VAL CB C 58 34.837 34.837 33.317 1.520 25716 324 1 . 1 1 58 58 VAL H H 58 6.970 6.970 7.566 -0.596 25716 325 1 . 1 1 59 59 SER N N 59 122.188 122.188 122.489 -0.301 25716 326 1 . 1 1 59 59 SER HA H 59 4.432 4.432 4.514 -0.082 25716 327 1 . 1 1 59 59 SER C C 59 170.766 170.766 174.352 -3.586 25716 328 1 . 1 1 59 59 SER CA C 59 56.563 56.563 57.428 -0.865 25716 329 1 . 1 1 59 59 SER CB C 59 63.106 63.106 63.672 -0.566 25716 330 1 . 1 1 59 59 SER H H 59 8.609 8.609 8.355 0.254 25716 331 1 . 1 1 60 60 ILE N N 60 128.230 128.230 127.892 0.338 25716 332 1 . 1 1 60 60 ILE HA H 60 4.033 4.033 4.303 -0.270 25716 333 1 . 1 1 60 60 ILE CA C 60 58.127 58.127 58.433 -0.306 25716 334 1 . 1 1 60 60 ILE CB C 60 38.217 38.217 37.695 0.522 25716 335 1 . 1 1 60 60 ILE H H 60 8.257 8.257 8.277 -0.020 25716 336 1 . 1 1 61 61 PRO HA H 61 4.501 4.501 4.676 -0.175 25716 337 1 . 1 1 61 61 PRO CA C 61 62.352 62.352 62.279 0.073 25716 338 1 . 1 1 61 61 PRO CB C 61 32.469 32.469 32.767 -0.298 25716 339 1 . 1 1 62 62 SER HA H 62 4.058 4.058 4.211 -0.153 25716 340 1 . 1 1 62 62 SER C C 62 173.269 173.269 176.333 -3.064 25716 341 1 . 1 1 62 62 SER CA C 62 61.511 61.511 61.177 0.334 25716 342 1 . 1 1 62 62 SER CB C 62 62.646 62.646 62.742 -0.096 25716 343 1 . 1 1 63 63 THR N N 63 110.178 110.178 115.872 -5.694 25716 344 1 . 1 1 63 63 THR HA H 63 4.066 4.066 4.215 -0.149 25716 345 1 . 1 1 63 63 THR C C 63 172.917 172.917 175.187 -2.270 25716 346 1 . 1 1 63 63 THR CA C 63 63.007 63.007 64.008 -1.001 25716 347 1 . 1 1 63 63 THR CB C 63 69.323 69.323 68.707 0.616 25716 348 1 . 1 1 63 63 THR H H 63 7.307 7.307 8.211 -0.904 25716 349 1 . 1 1 64 64 HIS N N 64 121.862 121.862 118.164 3.698 25716 350 1 . 1 1 64 64 HIS HA H 64 4.495 4.495 4.647 -0.152 25716 351 1 . 1 1 64 64 HIS C C 64 171.495 171.495 175.072 -3.577 25716 352 1 . 1 1 64 64 HIS CA C 64 56.203 56.203 56.374 -0.171 25716 353 1 . 1 1 64 64 HIS CB C 64 29.814 29.814 30.561 -0.747 25716 354 1 . 1 1 64 64 HIS H H 64 8.132 8.132 7.694 0.438 25716 355 1 . 1 1 65 65 ILE N N 65 118.536 118.536 121.956 -3.420 25716 356 1 . 1 1 65 65 ILE HA H 65 4.165 4.165 4.158 0.007 25716 357 1 . 1 1 65 65 ILE C C 65 172.049 172.049 175.494 -3.445 25716 358 1 . 1 1 65 65 ILE CA C 65 60.576 60.576 60.853 -0.277 25716 359 1 . 1 1 65 65 ILE CB C 65 35.561 35.561 35.753 -0.192 25716 360 1 . 1 1 65 65 ILE H H 65 7.223 7.223 7.363 -0.140 25716 361 1 . 1 1 66 66 THR N N 66 114.529 114.529 121.209 -6.680 25716 362 1 . 1 1 66 66 THR HA H 66 4.635 4.635 4.597 0.038 25716 363 1 . 1 1 66 66 THR C C 66 172.176 172.176 175.370 -3.194 25716 364 1 . 1 1 66 66 THR CA C 66 59.827 59.827 60.497 -0.670 25716 365 1 . 1 1 66 66 THR CB C 66 70.679 70.679 71.981 -1.302 25716 366 1 . 1 1 66 66 THR H H 66 7.943 7.943 8.049 -0.105 25716 367 1 . 1 1 67 67 GLY N N 67 109.454 109.454 110.364 -0.910 25716 368 1 . 1 1 67 67 GLY C C 67 172.080 172.080 175.051 -2.971 25716 369 1 . 1 1 67 67 GLY CA C 67 47.245 47.245 46.279 0.966 25716 370 1 . 1 1 67 67 GLY H H 67 8.736 8.736 8.773 -0.037 25716 371 1 . 1 1 68 68 LYS N N 68 118.551 118.551 120.261 -1.710 25716 372 1 . 1 1 68 68 LYS HA H 68 3.851 3.851 3.995 -0.144 25716 373 1 . 1 1 68 68 LYS C C 68 174.455 174.455 177.861 -3.406 25716 374 1 . 1 1 68 68 LYS CA C 68 58.697 58.697 58.444 0.253 25716 375 1 . 1 1 68 68 LYS CB C 68 32.350 32.350 32.218 0.132 25716 376 1 . 1 1 68 68 LYS H H 68 7.968 7.968 7.634 0.334 25716 377 1 . 1 1 69 69 TYR N N 69 115.203 115.203 115.748 -0.545 25716 378 1 . 1 1 69 69 TYR HA H 69 4.213 4.213 4.407 -0.194 25716 379 1 . 1 1 69 69 TYR C C 69 171.772 171.772 177.086 -5.314 25716 380 1 . 1 1 69 69 TYR CA C 69 59.212 59.212 58.968 0.244 25716 381 1 . 1 1 69 69 TYR CB C 69 38.555 38.555 39.059 -0.504 25716 382 1 . 1 1 69 69 TYR H H 69 6.826 6.826 7.457 -0.631 25716 383 1 . 1 1 70 70 PHE N N 70 112.140 112.140 115.212 -3.072 25716 384 1 . 1 1 70 70 PHE HA H 70 4.629 4.629 4.662 -0.033 25716 385 1 . 1 1 70 70 PHE C C 70 171.998 171.998 176.300 -4.302 25716 386 1 . 1 1 70 70 PHE CA C 70 57.245 57.245 58.434 -1.189 25716 387 1 . 1 1 70 70 PHE CB C 70 40.329 40.329 38.675 1.654 25716 388 1 . 1 1 70 70 PHE H H 70 7.327 7.327 7.963 -0.636 25716 389 1 . 1 1 71 71 LYS N N 71 113.603 113.603 120.097 -6.494 25716 390 1 . 1 1 71 71 LYS HA H 71 3.875 3.875 4.101 -0.226 25716 391 1 . 1 1 71 71 LYS C C 71 172.963 172.963 175.906 -2.943 25716 392 1 . 1 1 71 71 LYS CA C 71 59.667 59.667 58.779 0.888 25716 393 1 . 1 1 71 71 LYS CB C 71 33.074 33.074 32.848 0.226 25716 394 1 . 1 1 71 71 LYS H H 71 6.925 6.925 7.885 -0.960 25716 395 1 . 1 1 72 72 ASP N N 72 110.434 110.434 114.502 -4.068 25716 396 1 . 1 1 72 72 ASP HA H 72 4.441 4.441 4.950 -0.509 25716 397 1 . 1 1 72 72 ASP C C 72 172.750 172.750 175.987 -3.237 25716 398 1 . 1 1 72 72 ASP CA C 72 52.378 52.378 52.576 -0.198 25716 399 1 . 1 1 72 72 ASP CB C 72 42.426 42.426 43.986 -1.560 25716 400 1 . 1 1 72 72 ASP H H 72 7.363 7.363 7.469 -0.106 25716 401 1 . 1 1 73 73 LEU N N 73 120.273 120.273 120.097 0.176 25716 402 1 . 1 1 73 73 LEU HA H 73 3.920 3.920 4.042 -0.122 25716 403 1 . 1 1 73 73 LEU C C 73 176.648 176.648 178.099 -1.451 25716 404 1 . 1 1 73 73 LEU CA C 73 58.120 58.120 57.275 0.845 25716 405 1 . 1 1 73 73 LEU CB C 73 42.574 42.574 42.216 0.358 25716 406 1 . 1 1 73 73 LEU H H 73 9.983 9.983 8.462 1.521 25716 407 1 . 1 1 74 74 ASN N N 74 119.506 119.506 118.235 1.271 25716 408 1 . 1 1 74 74 ASN HA H 74 4.405 4.405 4.388 0.017 25716 409 1 . 1 1 74 74 ASN C C 74 174.659 174.659 177.170 -2.511 25716 410 1 . 1 1 74 74 ASN CA C 74 56.287 56.287 56.600 -0.314 25716 411 1 . 1 1 74 74 ASN CB C 74 37.579 37.579 38.136 -0.557 25716 412 1 . 1 1 74 74 ASN H H 74 7.893 7.893 8.125 -0.232 25716 413 1 . 1 1 75 75 ALA N N 75 125.068 125.068 122.737 2.332 25716 414 1 . 1 1 75 75 ALA HA H 75 4.097 4.097 4.179 -0.082 25716 415 1 . 1 1 75 75 ALA C C 75 177.809 177.809 179.802 -1.993 25716 416 1 . 1 1 75 75 ALA CA C 75 55.365 55.365 54.611 0.754 25716 417 1 . 1 1 75 75 ALA CB C 75 18.572 18.572 18.348 0.224 25716 418 1 . 1 1 75 75 ALA H H 75 8.951 8.951 7.804 1.147 25716 419 1 . 1 1 76 76 ILE N N 76 119.561 119.561 118.838 0.723 25716 420 1 . 1 1 76 76 ILE HA H 76 3.615 3.615 3.455 0.160 25716 421 1 . 1 1 76 76 ILE C C 76 175.344 175.344 177.804 -2.460 25716 422 1 . 1 1 76 76 ILE CA C 76 65.272 65.272 64.507 0.765 25716 423 1 . 1 1 76 76 ILE CB C 76 39.056 39.056 37.432 1.624 25716 424 1 . 1 1 76 76 ILE H H 76 8.386 8.386 7.886 0.500 25716 425 1 . 1 1 77 77 SER N N 77 114.090 114.090 115.490 -1.400 25716 426 1 . 1 1 77 77 SER HA H 77 3.878 3.878 4.151 -0.273 25716 427 1 . 1 1 77 77 SER C C 77 173.592 173.592 176.546 -2.954 25716 428 1 . 1 1 77 77 SER CA C 77 62.733 62.733 61.690 1.043 25716 429 1 . 1 1 77 77 SER CB C 77 62.864 62.864 63.103 -0.239 25716 430 1 . 1 1 77 77 SER H H 77 8.250 8.250 8.123 0.127 25716 431 1 . 1 1 78 78 ARG N N 78 121.670 121.670 119.614 2.056 25716 432 1 . 1 1 78 78 ARG HA H 78 4.129 4.129 4.220 -0.091 25716 433 1 . 1 1 78 78 ARG C C 78 176.111 176.111 178.477 -2.366 25716 434 1 . 1 1 78 78 ARG CA C 78 59.328 59.328 59.092 0.236 25716 435 1 . 1 1 78 78 ARG CB C 78 29.814 29.814 29.442 0.372 25716 436 1 . 1 1 78 78 ARG H H 78 8.086 8.086 7.964 0.122 25716 437 1 . 1 1 79 79 THR N N 79 118.928 118.928 114.351 4.577 25716 438 1 . 1 1 79 79 THR HA H 79 4.525 4.525 4.122 0.403 25716 439 1 . 1 1 79 79 THR C C 79 173.364 173.364 176.116 -2.752 25716 440 1 . 1 1 79 79 THR CA C 79 68.289 68.289 64.938 3.351 25716 441 1 . 1 1 79 79 THR CB C 79 67.268 67.268 68.411 -1.143 25716 442 1 . 1 1 79 79 THR H H 79 8.351 8.351 7.394 0.957 25716 443 1 . 1 1 80 80 VAL N N 80 120.643 120.643 121.978 -1.335 25716 444 1 . 1 1 80 80 VAL HA H 80 3.339 3.339 3.539 -0.200 25716 445 1 . 1 1 80 80 VAL C C 80 174.438 174.438 177.769 -3.331 25716 446 1 . 1 1 80 80 VAL CA C 80 67.603 67.603 66.678 0.925 25716 447 1 . 1 1 80 80 VAL CB C 80 31.532 31.532 31.421 0.111 25716 448 1 . 1 1 80 80 VAL H H 80 8.242 8.242 7.758 0.484 25716 449 1 . 1 1 81 81 GLU N N 81 118.067 118.067 118.386 -0.319 25716 450 1 . 1 1 81 81 GLU HA H 81 3.943 3.943 3.949 -0.006 25716 451 1 . 1 1 81 81 GLU C C 81 176.961 176.961 178.976 -2.015 25716 452 1 . 1 1 81 81 GLU CA C 81 59.974 59.974 59.226 0.748 25716 453 1 . 1 1 81 81 GLU CB C 81 29.817 29.817 29.028 0.789 25716 454 1 . 1 1 81 81 GLU H H 81 8.296 8.296 8.047 0.249 25716 455 1 . 1 1 82 82 GLN N N 82 119.947 119.947 120.004 -0.057 25716 456 1 . 1 1 82 82 GLN HA H 82 4.110 4.110 4.120 -0.010 25716 457 1 . 1 1 82 82 GLN C C 82 176.023 176.023 178.168 -2.145 25716 458 1 . 1 1 82 82 GLN CA C 82 58.991 58.991 58.314 0.677 25716 459 1 . 1 1 82 82 GLN CB C 82 28.136 28.136 28.339 -0.203 25716 460 1 . 1 1 82 82 GLN H H 82 8.444 8.444 7.523 0.921 25716 461 1 . 1 1 83 83 LEU N N 83 119.916 119.916 119.832 0.084 25716 462 1 . 1 1 83 83 LEU HA H 83 4.075 4.075 4.011 0.064 25716 463 1 . 1 1 83 83 LEU C C 83 177.753 177.753 179.003 -1.250 25716 464 1 . 1 1 83 83 LEU CA C 83 57.453 57.453 57.320 0.133 25716 465 1 . 1 1 83 83 LEU CB C 83 41.673 41.673 41.444 0.229 25716 466 1 . 1 1 83 83 LEU H H 83 8.149 8.149 8.280 -0.131 25716 467 1 . 1 1 84 84 LYS N N 84 121.059 121.059 119.912 1.147 25716 468 1 . 1 1 84 84 LYS HA H 84 3.951 3.951 3.939 0.012 25716 469 1 . 1 1 84 84 LYS C C 84 176.055 176.055 178.541 -2.486 25716 470 1 . 1 1 84 84 LYS CA C 84 59.328 59.328 59.456 -0.128 25716 471 1 . 1 1 84 84 LYS CB C 84 32.291 32.291 32.203 0.088 25716 472 1 . 1 1 84 84 LYS H H 84 8.373 8.373 8.003 0.370 25716 473 1 . 1 1 85 85 ALA N N 85 122.134 122.134 121.692 0.442 25716 474 1 . 1 1 85 85 ALA HA H 85 4.188 4.188 4.110 0.078 25716 475 1 . 1 1 85 85 ALA C C 85 177.240 177.240 179.842 -2.602 25716 476 1 . 1 1 85 85 ALA CA C 85 54.423 54.423 54.978 -0.555 25716 477 1 . 1 1 85 85 ALA CB C 85 18.193 18.193 18.227 -0.034 25716 478 1 . 1 1 85 85 ALA H H 85 7.854 7.854 7.515 0.339 25716 479 1 . 1 1 86 86 GLU N N 86 117.813 117.813 118.056 -0.243 25716 480 1 . 1 1 86 86 GLU HA H 86 4.115 4.115 4.025 0.090 25716 481 1 . 1 1 86 86 GLU C C 86 175.547 175.547 179.009 -3.462 25716 482 1 . 1 1 86 86 GLU CA C 86 58.199 58.199 58.870 -0.671 25716 483 1 . 1 1 86 86 GLU CB C 86 29.841 29.841 29.363 0.478 25716 484 1 . 1 1 86 86 GLU H H 86 8.059 8.059 8.133 -0.074 25716 485 1 . 1 1 87 87 SER N N 87 114.771 114.771 114.379 0.392 25716 486 1 . 1 1 87 87 SER HA H 87 4.362 4.362 4.350 0.012 25716 487 1 . 1 1 87 87 SER C C 87 172.405 172.405 175.875 -3.470 25716 488 1 . 1 1 87 87 SER CA C 87 59.806 59.806 60.439 -0.633 25716 489 1 . 1 1 87 87 SER CB C 87 63.528 63.528 63.125 0.403 25716 490 1 . 1 1 87 87 SER H H 87 7.908 7.908 7.975 -0.067 25716 491 1 . 1 1 88 88 ALA N N 88 124.277 124.277 123.707 0.570 25716 492 1 . 1 1 88 88 ALA HA H 88 4.284 4.284 4.195 0.089 25716 493 1 . 1 1 88 88 ALA C C 88 175.489 175.489 178.723 -3.234 25716 494 1 . 1 1 88 88 ALA CA C 88 53.087 53.087 54.307 -1.220 25716 495 1 . 1 1 88 88 ALA CB C 88 18.792 18.792 18.936 -0.144 25716 496 1 . 1 1 88 88 ALA H H 88 7.812 7.812 7.646 0.166 25716 497 1 . 1 1 89 89 LEU N N 89 119.411 119.411 118.580 0.831 25716 498 1 . 1 1 89 89 LEU HA H 89 4.219 4.219 4.273 -0.054 25716 499 1 . 1 1 89 89 LEU C C 89 175.025 175.025 177.705 -2.680 25716 500 1 . 1 1 89 89 LEU CA C 89 55.608 55.608 55.565 0.043 25716 501 1 . 1 1 89 89 LEU CB C 89 42.213 42.213 42.030 0.183 25716 502 1 . 1 1 89 89 LEU H H 89 7.769 7.769 7.863 -0.094 25716 stop_ save_