data_18411 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18411 _Entry.PDB_ID 2LS5 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 18411 _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 3 3 LEU HA H 3 3.930 3.930 4.546 -0.616 18411 2 1 1 . 1 1 3 3 LEU CA C 3 58.669 58.669 54.210 4.459 18411 3 1 1 . 1 1 3 3 LEU CB C 3 42.010 42.010 41.106 0.903 18411 4 1 1 . 1 1 4 4 GLY C C 4 173.604 173.604 173.112 0.492 18411 5 1 1 . 1 1 4 4 GLY CA C 4 46.072 46.072 44.530 1.542 18411 6 1 1 . 1 1 5 5 TYR N N 5 116.195 116.195 124.730 -8.535 18411 7 1 1 . 1 1 5 5 TYR HA H 5 4.769 4.769 4.532 0.237 18411 8 1 1 . 1 1 5 5 TYR C C 5 177.898 177.898 176.574 1.324 18411 9 1 1 . 1 1 5 5 TYR CA C 5 60.102 60.102 57.815 2.287 18411 10 1 1 . 1 1 5 5 TYR CB C 5 39.615 39.615 39.658 -0.043 18411 11 1 1 . 1 1 5 5 TYR H H 5 7.849 7.849 8.111 -0.262 18411 12 1 1 . 1 1 6 6 ILE N N 6 115.338 115.338 120.531 -5.193 18411 13 1 1 . 1 1 6 6 ILE HA H 6 4.514 4.514 4.438 0.076 18411 14 1 1 . 1 1 6 6 ILE C C 6 175.977 175.977 175.609 0.368 18411 15 1 1 . 1 1 6 6 ILE CA C 6 61.623 61.623 61.946 -0.323 18411 16 1 1 . 1 1 6 6 ILE CB C 6 38.270 38.270 38.628 -0.358 18411 17 1 1 . 1 1 6 6 ILE H H 6 8.687 8.687 7.982 0.705 18411 18 1 1 . 1 1 7 7 VAL N N 7 113.122 113.122 119.702 -6.580 18411 19 1 1 . 1 1 7 7 VAL HA H 7 4.730 4.730 4.223 0.507 18411 20 1 1 . 1 1 7 7 VAL C C 7 174.331 174.331 175.000 -0.669 18411 21 1 1 . 1 1 7 7 VAL CA C 7 58.867 58.867 60.709 -1.842 18411 22 1 1 . 1 1 7 7 VAL CB C 7 34.475 34.475 33.932 0.543 18411 23 1 1 . 1 1 7 7 VAL H H 7 6.845 6.845 7.471 -0.626 18411 24 1 1 . 1 1 8 8 ARG N N 8 117.597 117.597 124.714 -7.117 18411 25 1 1 . 1 1 8 8 ARG HA H 8 4.539 4.539 4.598 -0.059 18411 26 1 1 . 1 1 8 8 ARG C C 8 175.618 175.618 175.224 0.394 18411 27 1 1 . 1 1 8 8 ARG CA C 8 53.717 53.717 53.827 -0.110 18411 28 1 1 . 1 1 8 8 ARG CB C 8 34.126 34.126 32.086 2.040 18411 29 1 1 . 1 1 8 8 ARG H H 8 7.978 7.978 8.127 -0.149 18411 30 1 1 . 1 1 9 9 ILE N N 9 118.377 118.377 121.665 -3.288 18411 31 1 1 . 1 1 9 9 ILE HA H 9 3.465 3.465 3.965 -0.500 18411 32 1 1 . 1 1 9 9 ILE C C 9 177.771 177.771 177.540 0.231 18411 33 1 1 . 1 1 9 9 ILE CA C 9 62.350 62.350 62.832 -0.482 18411 34 1 1 . 1 1 9 9 ILE CB C 9 37.049 37.049 37.243 -0.194 18411 35 1 1 . 1 1 9 9 ILE H H 9 8.085 8.085 8.353 -0.268 18411 36 1 1 . 1 1 10 10 GLY N N 10 115.204 115.204 115.517 -0.313 18411 37 1 1 . 1 1 10 10 GLY C C 10 174.235 174.235 173.830 0.405 18411 38 1 1 . 1 1 10 10 GLY CA C 10 44.763 44.763 44.686 0.077 18411 39 1 1 . 1 1 10 10 GLY H H 10 9.149 9.149 9.167 -0.018 18411 40 1 1 . 1 1 11 11 GLU N N 11 119.157 119.157 121.026 -1.869 18411 41 1 1 . 1 1 11 11 GLU HA H 11 4.392 4.392 4.548 -0.156 18411 42 1 1 . 1 1 11 11 GLU C C 11 176.729 176.729 175.815 0.914 18411 43 1 1 . 1 1 11 11 GLU CA C 11 55.108 55.108 54.560 0.548 18411 44 1 1 . 1 1 11 11 GLU CB C 11 31.473 31.473 31.221 0.252 18411 45 1 1 . 1 1 11 11 GLU H H 11 7.631 7.631 7.842 -0.211 18411 46 1 1 . 1 1 12 12 MET N N 12 119.646 119.646 122.682 -3.036 18411 47 1 1 . 1 1 12 12 MET HA H 12 4.593 4.593 4.686 -0.093 18411 48 1 1 . 1 1 12 12 MET C C 12 177.162 177.162 176.585 0.577 18411 49 1 1 . 1 1 12 12 MET CA C 12 54.475 54.475 55.803 -1.328 18411 50 1 1 . 1 1 12 12 MET CB C 12 30.749 30.749 33.626 -2.877 18411 51 1 1 . 1 1 12 12 MET H H 12 8.566 8.566 8.567 -0.001 18411 52 1 1 . 1 1 13 13 ALA N N 13 129.735 129.735 127.356 2.379 18411 53 1 1 . 1 1 13 13 ALA HA H 13 4.293 4.293 4.594 -0.301 18411 54 1 1 . 1 1 13 13 ALA C C 13 175.992 175.992 175.719 0.273 18411 55 1 1 . 1 1 13 13 ALA CA C 13 50.676 50.676 50.300 0.376 18411 56 1 1 . 1 1 13 13 ALA CB C 13 18.125 18.125 18.603 -0.478 18411 57 1 1 . 1 1 13 13 ALA H H 13 8.626 8.626 8.743 -0.117 18411 58 1 1 . 1 1 14 14 PRO HA H 14 4.253 4.253 4.413 -0.160 18411 59 1 1 . 1 1 14 14 PRO C C 14 176.066 176.066 175.468 0.598 18411 60 1 1 . 1 1 14 14 PRO CA C 14 63.478 63.478 62.426 1.052 18411 61 1 1 . 1 1 14 14 PRO CB C 14 32.987 32.987 32.531 0.456 18411 62 1 1 . 1 1 15 15 ASP N N 15 123.075 123.075 119.127 3.948 18411 63 1 1 . 1 1 15 15 ASP HA H 15 4.700 4.700 4.567 0.133 18411 64 1 1 . 1 1 15 15 ASP C C 15 176.067 176.067 175.429 0.638 18411 65 1 1 . 1 1 15 15 ASP CA C 15 53.628 53.628 53.681 -0.053 18411 66 1 1 . 1 1 15 15 ASP CB C 15 41.613 41.613 43.276 -1.663 18411 67 1 1 . 1 1 15 15 ASP H H 15 8.373 8.373 8.374 -0.001 18411 68 1 1 . 1 1 16 16 PHE N N 16 114.256 114.256 113.327 0.929 18411 69 1 1 . 1 1 16 16 PHE HA H 16 4.869 4.869 4.780 0.089 18411 70 1 1 . 1 1 16 16 PHE C C 16 173.028 173.028 173.316 -0.288 18411 71 1 1 . 1 1 16 16 PHE CA C 16 56.721 56.721 57.177 -0.456 18411 72 1 1 . 1 1 16 16 PHE CB C 16 40.560 40.560 39.842 0.718 18411 73 1 1 . 1 1 16 16 PHE H H 16 7.950 7.950 8.034 -0.084 18411 74 1 1 . 1 1 17 17 THR N N 17 116.459 116.459 116.963 -0.504 18411 75 1 1 . 1 1 17 17 THR HA H 17 5.244 5.244 5.105 0.139 18411 76 1 1 . 1 1 17 17 THR C C 17 172.722 172.722 173.516 -0.794 18411 77 1 1 . 1 1 17 17 THR CA C 17 62.061 62.061 62.016 0.045 18411 78 1 1 . 1 1 17 17 THR CB C 17 70.882 70.882 69.564 1.318 18411 79 1 1 . 1 1 17 17 THR H H 17 8.596 8.596 8.544 0.052 18411 80 1 1 . 1 1 18 18 ILE N N 18 128.165 128.165 127.267 0.898 18411 81 1 1 . 1 1 18 18 ILE HA H 18 4.995 4.995 4.578 0.417 18411 82 1 1 . 1 1 18 18 ILE C C 18 172.309 172.309 174.134 -1.825 18411 83 1 1 . 1 1 18 18 ILE CA C 18 59.123 59.123 59.318 -0.195 18411 84 1 1 . 1 1 18 18 ILE CB C 18 43.984 43.984 41.276 2.708 18411 85 1 1 . 1 1 18 18 ILE H H 18 9.574 9.574 8.935 0.639 18411 86 1 1 . 1 1 19 19 THR N N 19 124.473 124.473 124.680 -0.207 18411 87 1 1 . 1 1 19 19 THR HA H 19 4.821 4.821 5.042 -0.221 18411 88 1 1 . 1 1 19 19 THR C C 19 174.104 174.104 174.540 -0.436 18411 89 1 1 . 1 1 19 19 THR CA C 19 62.316 62.316 62.670 -0.354 18411 90 1 1 . 1 1 19 19 THR CB C 19 69.287 69.287 69.223 0.064 18411 91 1 1 . 1 1 19 19 THR H H 19 9.081 9.081 8.735 0.346 18411 92 1 1 . 1 1 20 20 LEU N N 20 125.167 125.167 127.144 -1.977 18411 93 1 1 . 1 1 20 20 LEU HA H 20 5.082 5.082 4.682 0.400 18411 94 1 1 . 1 1 20 20 LEU C C 20 181.023 181.023 179.362 1.661 18411 95 1 1 . 1 1 20 20 LEU CA C 20 54.191 54.191 54.153 0.038 18411 96 1 1 . 1 1 20 20 LEU CB C 20 42.219 42.219 42.753 -0.534 18411 97 1 1 . 1 1 20 20 LEU H H 20 9.227 9.227 9.181 0.046 18411 98 1 1 . 1 1 21 21 THR N N 21 109.887 109.887 113.891 -4.004 18411 99 1 1 . 1 1 21 21 THR HA H 21 3.831 3.831 4.021 -0.190 18411 100 1 1 . 1 1 21 21 THR C C 21 174.716 174.716 174.812 -0.096 18411 101 1 1 . 1 1 21 21 THR CA C 21 64.992 64.992 65.392 -0.400 18411 102 1 1 . 1 1 21 21 THR CB C 21 68.529 68.529 68.644 -0.115 18411 103 1 1 . 1 1 21 21 THR H H 21 8.603 8.603 8.506 0.097 18411 104 1 1 . 1 1 22 22 ASP N N 22 117.311 117.311 118.319 -1.008 18411 105 1 1 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.653 -0.059 18411 106 1 1 . 1 1 22 22 ASP C C 22 177.771 177.771 176.451 1.320 18411 107 1 1 . 1 1 22 22 ASP CA C 22 53.173 53.173 53.188 -0.015 18411 108 1 1 . 1 1 22 22 ASP CB C 22 40.449 40.449 39.293 1.156 18411 109 1 1 . 1 1 22 22 ASP H H 22 7.530 7.530 7.818 -0.288 18411 110 1 1 . 1 1 23 23 GLY N N 23 108.847 108.847 109.157 -0.310 18411 111 1 1 . 1 1 23 23 GLY C C 23 174.806 174.806 173.856 0.950 18411 112 1 1 . 1 1 23 23 GLY CA C 23 45.028 45.028 45.578 -0.550 18411 113 1 1 . 1 1 23 23 GLY H H 23 8.203 8.203 7.997 0.206 18411 114 1 1 . 1 1 24 24 LYS N N 24 122.092 122.092 120.155 1.937 18411 115 1 1 . 1 1 24 24 LYS HA H 24 4.267 4.267 4.584 -0.317 18411 116 1 1 . 1 1 24 24 LYS C C 24 175.350 175.350 175.766 -0.416 18411 117 1 1 . 1 1 24 24 LYS CA C 24 57.060 57.060 54.077 2.983 18411 118 1 1 . 1 1 24 24 LYS CB C 24 33.271 33.271 33.825 -0.554 18411 119 1 1 . 1 1 24 24 LYS H H 24 7.881 7.881 8.025 -0.144 18411 120 1 1 . 1 1 25 25 GLN N N 25 119.585 119.585 123.119 -3.534 18411 121 1 1 . 1 1 25 25 GLN HA H 25 5.561 5.561 4.881 0.680 18411 122 1 1 . 1 1 25 25 GLN C C 25 176.631 176.631 175.450 1.181 18411 123 1 1 . 1 1 25 25 GLN CA C 25 54.572 54.572 55.038 -0.466 18411 124 1 1 . 1 1 25 25 GLN CB C 25 31.621 31.621 29.234 2.387 18411 125 1 1 . 1 1 25 25 GLN H H 25 8.365 8.365 8.673 -0.308 18411 126 1 1 . 1 1 26 26 VAL N N 26 123.115 123.115 126.064 -2.949 18411 127 1 1 . 1 1 26 26 VAL HA H 26 4.466 4.466 4.424 0.042 18411 128 1 1 . 1 1 26 26 VAL C C 26 174.390 174.390 174.253 0.137 18411 129 1 1 . 1 1 26 26 VAL CA C 26 61.142 61.142 60.023 1.119 18411 130 1 1 . 1 1 26 26 VAL CB C 26 35.962 35.962 35.306 0.656 18411 131 1 1 . 1 1 26 26 VAL H H 26 9.069 9.069 8.801 0.268 18411 132 1 1 . 1 1 27 27 THR N N 27 122.509 122.509 124.422 -1.913 18411 133 1 1 . 1 1 27 27 THR HA H 27 5.437 5.437 5.016 0.421 18411 134 1 1 . 1 1 27 27 THR C C 27 176.330 176.330 175.236 1.094 18411 135 1 1 . 1 1 27 27 THR CA C 27 60.068 60.068 61.325 -1.258 18411 136 1 1 . 1 1 27 27 THR CB C 27 70.655 70.655 69.888 0.767 18411 137 1 1 . 1 1 27 27 THR H H 27 8.256 8.256 8.567 -0.311 18411 138 1 1 . 1 1 28 28 LEU N N 28 131.816 131.816 126.213 5.603 18411 139 1 1 . 1 1 28 28 LEU HA H 28 3.607 3.607 3.867 -0.260 18411 140 1 1 . 1 1 28 28 LEU C C 28 180.093 180.093 177.777 2.316 18411 141 1 1 . 1 1 28 28 LEU CA C 28 59.264 59.264 56.971 2.293 18411 142 1 1 . 1 1 28 28 LEU CB C 28 39.396 39.396 40.979 -1.583 18411 143 1 1 . 1 1 28 28 LEU H H 28 8.311 8.311 8.515 -0.204 18411 144 1 1 . 1 1 29 29 SER N N 29 114.727 114.727 114.207 0.520 18411 145 1 1 . 1 1 29 29 SER HA H 29 4.003 4.003 4.140 -0.137 18411 146 1 1 . 1 1 29 29 SER C C 29 177.762 177.762 177.135 0.627 18411 147 1 1 . 1 1 29 29 SER CA C 29 60.896 60.896 61.355 -0.459 18411 148 1 1 . 1 1 29 29 SER CB C 29 61.091 61.091 62.620 -1.529 18411 149 1 1 . 1 1 29 29 SER H H 29 9.491 9.491 7.865 1.626 18411 150 1 1 . 1 1 30 30 SER N N 30 119.100 119.100 117.751 1.349 18411 151 1 1 . 1 1 30 30 SER HA H 30 4.476 4.476 4.225 0.251 18411 152 1 1 . 1 1 30 30 SER C C 30 175.104 175.104 175.494 -0.390 18411 153 1 1 . 1 1 30 30 SER CA C 30 60.661 60.661 60.825 -0.164 18411 154 1 1 . 1 1 30 30 SER CB C 30 63.174 63.174 63.138 0.036 18411 155 1 1 . 1 1 30 30 SER H H 30 7.878 7.878 7.643 0.235 18411 156 1 1 . 1 1 31 31 LEU N N 31 121.415 121.415 120.543 0.872 18411 157 1 1 . 1 1 31 31 LEU HA H 31 4.258 4.258 4.255 0.003 18411 158 1 1 . 1 1 31 31 LEU C C 31 175.710 175.710 177.035 -1.325 18411 159 1 1 . 1 1 31 31 LEU CA C 31 53.804 53.804 55.034 -1.230 18411 160 1 1 . 1 1 31 31 LEU CB C 31 41.285 41.285 42.095 -0.810 18411 161 1 1 . 1 1 31 31 LEU H H 31 8.026 8.026 7.412 0.614 18411 162 1 1 . 1 1 32 32 ARG N N 32 119.061 119.061 118.762 0.299 18411 163 1 1 . 1 1 32 32 ARG HA H 32 4.411 4.411 3.929 0.482 18411 164 1 1 . 1 1 32 32 ARG C C 32 177.585 177.585 177.600 -0.015 18411 165 1 1 . 1 1 32 32 ARG CA C 32 57.590 57.590 58.090 -0.499 18411 166 1 1 . 1 1 32 32 ARG CB C 32 29.497 29.497 30.514 -1.017 18411 167 1 1 . 1 1 32 32 ARG H H 32 6.788 6.788 7.393 -0.605 18411 168 1 1 . 1 1 33 33 GLY N N 33 114.033 114.033 109.021 5.012 18411 169 1 1 . 1 1 33 33 GLY C C 33 173.456 173.456 173.822 -0.366 18411 170 1 1 . 1 1 33 33 GLY CA C 33 44.684 44.684 45.914 -1.230 18411 171 1 1 . 1 1 33 33 GLY H H 33 9.120 9.120 8.502 0.618 18411 172 1 1 . 1 1 34 34 LYS N N 34 120.270 120.270 120.338 -0.068 18411 173 1 1 . 1 1 34 34 LYS HA H 34 4.606 4.606 5.352 -0.746 18411 174 1 1 . 1 1 34 34 LYS C C 34 175.350 175.350 176.894 -1.544 18411 175 1 1 . 1 1 34 34 LYS CA C 34 54.786 54.786 54.364 0.422 18411 176 1 1 . 1 1 34 34 LYS CB C 34 34.125 34.125 35.301 -1.176 18411 177 1 1 . 1 1 34 34 LYS H H 34 8.146 8.146 7.401 0.745 18411 178 1 1 . 1 1 35 35 VAL N N 35 122.059 122.059 118.883 3.176 18411 179 1 1 . 1 1 35 35 VAL HA H 35 4.020 4.020 4.353 -0.333 18411 180 1 1 . 1 1 35 35 VAL C C 35 174.699 174.699 174.599 0.100 18411 181 1 1 . 1 1 35 35 VAL CA C 35 63.108 63.108 62.160 0.949 18411 182 1 1 . 1 1 35 35 VAL CB C 35 33.022 33.022 31.386 1.636 18411 183 1 1 . 1 1 35 35 VAL H H 35 8.757 8.757 8.685 0.072 18411 184 1 1 . 1 1 36 36 VAL N N 36 125.815 125.815 127.850 -2.035 18411 185 1 1 . 1 1 36 36 VAL HA H 36 4.856 4.856 4.595 0.261 18411 186 1 1 . 1 1 36 36 VAL C C 36 174.622 174.622 174.551 0.071 18411 187 1 1 . 1 1 36 36 VAL CA C 36 60.078 60.078 60.627 -0.549 18411 188 1 1 . 1 1 36 36 VAL CB C 36 35.605 35.605 33.015 2.590 18411 189 1 1 . 1 1 36 36 VAL H H 36 8.485 8.485 8.188 0.297 18411 190 1 1 . 1 1 37 37 MET N N 37 126.478 126.478 128.535 -2.057 18411 191 1 1 . 1 1 37 37 MET HA H 37 5.383 5.383 5.005 0.378 18411 192 1 1 . 1 1 37 37 MET C C 37 173.473 173.473 173.758 -0.285 18411 193 1 1 . 1 1 37 37 MET CA C 37 53.661 53.661 54.315 -0.654 18411 194 1 1 . 1 1 37 37 MET CB C 37 35.948 35.948 34.515 1.433 18411 195 1 1 . 1 1 37 37 MET H H 37 8.694 8.694 8.919 -0.225 18411 196 1 1 . 1 1 38 38 LEU N N 38 124.275 124.275 128.365 -4.090 18411 197 1 1 . 1 1 38 38 LEU HA H 38 5.100 5.100 5.099 0.001 18411 198 1 1 . 1 1 38 38 LEU C C 38 175.828 175.828 175.464 0.364 18411 199 1 1 . 1 1 38 38 LEU CA C 38 52.144 52.144 52.934 -0.790 18411 200 1 1 . 1 1 38 38 LEU CB C 38 42.898 42.898 42.655 0.243 18411 201 1 1 . 1 1 38 38 LEU H H 38 9.181 9.181 9.218 -0.037 18411 202 1 1 . 1 1 39 39 GLN N N 39 124.390 124.390 122.253 2.137 18411 203 1 1 . 1 1 39 39 GLN HA H 39 5.369 5.369 4.844 0.525 18411 204 1 1 . 1 1 39 39 GLN C C 39 175.696 175.696 174.665 1.031 18411 205 1 1 . 1 1 39 39 GLN CA C 39 54.025 54.025 53.876 0.149 18411 206 1 1 . 1 1 39 39 GLN CB C 39 28.735 28.735 30.492 -1.757 18411 207 1 1 . 1 1 39 39 GLN H H 39 8.325 8.325 8.324 0.001 18411 208 1 1 . 1 1 40 40 PHE N N 40 128.800 128.800 126.145 2.655 18411 209 1 1 . 1 1 40 40 PHE HA H 40 5.182 5.182 5.383 -0.201 18411 210 1 1 . 1 1 40 40 PHE C C 40 175.432 175.432 175.341 0.091 18411 211 1 1 . 1 1 40 40 PHE CA C 40 59.370 59.370 57.569 1.801 18411 212 1 1 . 1 1 40 40 PHE CB C 40 39.256 39.256 39.605 -0.349 18411 213 1 1 . 1 1 40 40 PHE H H 40 8.899 8.899 9.257 -0.358 18411 214 1 1 . 1 1 41 41 THR N N 41 117.616 117.616 117.009 0.607 18411 215 1 1 . 1 1 41 41 THR HA H 41 5.274 5.274 4.641 0.633 18411 216 1 1 . 1 1 41 41 THR C C 41 170.795 170.795 172.077 -1.282 18411 217 1 1 . 1 1 41 41 THR CA C 41 59.448 59.448 58.887 0.561 18411 218 1 1 . 1 1 41 41 THR CB C 41 70.892 70.892 71.629 -0.737 18411 219 1 1 . 1 1 41 41 THR H H 41 8.589 8.589 8.937 -0.348 18411 220 1 1 . 1 1 42 42 ALA N N 42 122.005 122.005 120.741 1.264 18411 221 1 1 . 1 1 42 42 ALA HA H 42 4.162 4.162 4.615 -0.453 18411 222 1 1 . 1 1 42 42 ALA C C 42 177.618 177.618 177.383 0.235 18411 223 1 1 . 1 1 42 42 ALA CA C 42 52.454 52.454 50.669 1.785 18411 224 1 1 . 1 1 42 42 ALA CB C 42 20.704 20.704 20.927 -0.223 18411 225 1 1 . 1 1 42 42 ALA H H 42 7.201 7.201 7.724 -0.523 18411 226 1 1 . 1 1 43 43 SER N N 43 117.426 117.426 117.967 -0.541 18411 227 1 1 . 1 1 43 43 SER HA H 43 1.542 1.542 2.382 -0.840 18411 228 1 1 . 1 1 43 43 SER C C 43 174.845 174.845 175.002 -0.157 18411 229 1 1 . 1 1 43 43 SER CA C 43 60.202 60.202 60.968 -0.766 18411 230 1 1 . 1 1 43 43 SER CB C 43 63.040 63.040 62.986 0.054 18411 231 1 1 . 1 1 43 43 SER H H 43 9.472 9.472 8.496 0.976 18411 232 1 1 . 1 1 44 44 TRP N N 44 116.512 116.512 116.689 -0.177 18411 233 1 1 . 1 1 44 44 TRP HA H 44 4.495 4.495 4.911 -0.416 18411 234 1 1 . 1 1 44 44 TRP C C 44 176.297 176.297 175.306 0.991 18411 235 1 1 . 1 1 44 44 TRP CA C 44 53.405 53.405 54.260 -0.855 18411 236 1 1 . 1 1 44 44 TRP CB C 44 29.450 29.450 28.768 0.682 18411 237 1 1 . 1 1 44 44 TRP H H 44 6.345 6.345 7.064 -0.719 18411 238 1 1 . 1 1 45 45 CYS N N 45 125.015 125.015 121.488 3.527 18411 239 1 1 . 1 1 45 45 CYS HA H 45 4.501 4.501 4.545 -0.044 18411 240 1 1 . 1 1 45 45 CYS C C 45 176.409 176.409 175.905 0.504 18411 241 1 1 . 1 1 45 45 CYS CA C 45 58.904 58.904 59.294 -0.390 18411 242 1 1 . 1 1 45 45 CYS CB C 45 28.203 28.203 28.368 -0.165 18411 243 1 1 . 1 1 45 45 CYS H H 45 6.982 6.982 7.423 -0.441 18411 244 1 1 . 1 1 46 46 GLY CA C 46 47.225 47.225 46.733 0.492 18411 245 1 1 . 1 1 47 47 VAL HA H 47 3.804 3.804 3.889 -0.085 18411 246 1 1 . 1 1 47 47 VAL CA C 47 66.661 66.661 64.683 1.978 18411 247 1 1 . 1 1 47 47 VAL CB C 47 31.506 31.506 31.197 0.309 18411 248 1 1 . 1 1 48 48 CYS HA H 48 3.875 3.875 4.222 -0.347 18411 249 1 1 . 1 1 48 48 CYS C C 48 177.961 177.961 176.260 1.701 18411 250 1 1 . 1 1 48 48 CYS CA C 48 65.053 65.053 62.077 2.976 18411 251 1 1 . 1 1 48 48 CYS CB C 48 28.741 28.741 26.066 2.675 18411 252 1 1 . 1 1 49 49 ARG N N 49 115.039 115.039 118.716 -3.677 18411 253 1 1 . 1 1 49 49 ARG HA H 49 3.898 3.898 4.215 -0.317 18411 254 1 1 . 1 1 49 49 ARG C C 49 177.871 177.871 176.836 1.035 18411 255 1 1 . 1 1 49 49 ARG CA C 49 59.837 59.837 57.975 1.862 18411 256 1 1 . 1 1 49 49 ARG CB C 49 30.585 30.585 29.804 0.781 18411 257 1 1 . 1 1 49 49 ARG H H 49 7.658 7.658 7.573 0.085 18411 258 1 1 . 1 1 50 50 LYS N N 50 117.909 117.909 118.374 -0.465 18411 259 1 1 . 1 1 50 50 LYS HA H 50 4.098 4.098 4.351 -0.253 18411 260 1 1 . 1 1 50 50 LYS C C 50 177.723 177.723 177.175 0.548 18411 261 1 1 . 1 1 50 50 LYS CA C 50 58.198 58.198 57.845 0.353 18411 262 1 1 . 1 1 50 50 LYS CB C 50 32.803 32.803 33.349 -0.546 18411 263 1 1 . 1 1 50 50 LYS H H 50 7.385 7.385 7.740 -0.355 18411 264 1 1 . 1 1 51 51 GLU N N 51 117.196 117.196 120.813 -3.617 18411 265 1 1 . 1 1 51 51 GLU HA H 51 3.453 3.453 3.546 -0.093 18411 266 1 1 . 1 1 51 51 GLU C C 51 179.194 179.194 178.838 0.356 18411 267 1 1 . 1 1 51 51 GLU CA C 51 57.754 57.754 59.638 -1.884 18411 268 1 1 . 1 1 51 51 GLU CB C 51 29.825 29.825 29.681 0.144 18411 269 1 1 . 1 1 51 51 GLU H H 51 7.764 7.764 7.618 0.146 18411 270 1 1 . 1 1 52 52 MET N N 52 118.785 118.785 117.475 1.310 18411 271 1 1 . 1 1 52 52 MET HA H 52 3.979 3.979 4.521 -0.542 18411 272 1 1 . 1 1 52 52 MET C C 52 174.346 174.346 176.019 -1.673 18411 273 1 1 . 1 1 52 52 MET CA C 52 62.384 62.384 61.565 0.819 18411 274 1 1 . 1 1 52 52 MET CB C 52 32.805 32.805 30.834 1.971 18411 275 1 1 . 1 1 52 52 MET H H 52 8.100 8.100 8.447 -0.347 18411 276 1 1 . 1 1 53 53 PRO HA H 53 4.299 4.299 4.229 0.070 18411 277 1 1 . 1 1 53 53 PRO C C 53 179.242 179.242 179.436 -0.194 18411 278 1 1 . 1 1 53 53 PRO CA C 53 65.708 65.708 66.302 -0.594 18411 279 1 1 . 1 1 53 53 PRO CB C 53 31.570 31.570 31.342 0.228 18411 280 1 1 . 1 1 54 54 PHE N N 54 116.067 116.067 117.157 -1.090 18411 281 1 1 . 1 1 54 54 PHE HA H 54 4.372 4.372 4.218 0.154 18411 282 1 1 . 1 1 54 54 PHE C C 54 178.283 178.283 178.377 -0.094 18411 283 1 1 . 1 1 54 54 PHE CA C 54 61.249 61.249 62.467 -1.218 18411 284 1 1 . 1 1 54 54 PHE CB C 54 38.366 38.366 38.428 -0.062 18411 285 1 1 . 1 1 54 54 PHE H H 54 7.251 7.251 7.729 -0.478 18411 286 1 1 . 1 1 55 55 ILE N N 55 122.051 122.051 120.476 1.575 18411 287 1 1 . 1 1 55 55 ILE HA H 55 3.746 3.746 3.939 -0.193 18411 288 1 1 . 1 1 55 55 ILE C C 55 179.005 179.005 178.060 0.945 18411 289 1 1 . 1 1 55 55 ILE CA C 55 66.678 66.678 66.235 0.443 18411 290 1 1 . 1 1 55 55 ILE CB C 55 37.449 37.449 37.858 -0.409 18411 291 1 1 . 1 1 55 55 ILE H H 55 7.935 7.935 8.789 -0.854 18411 292 1 1 . 1 1 56 56 GLU N N 56 120.941 120.941 120.612 0.329 18411 293 1 1 . 1 1 56 56 GLU HA H 56 4.578 4.578 4.119 0.459 18411 294 1 1 . 1 1 56 56 GLU C C 56 177.034 177.034 178.425 -1.391 18411 295 1 1 . 1 1 56 56 GLU CA C 56 59.607 59.607 60.485 -0.878 18411 296 1 1 . 1 1 56 56 GLU CB C 56 29.640 29.640 29.741 -0.101 18411 297 1 1 . 1 1 56 56 GLU H H 56 8.657 8.657 8.869 -0.212 18411 298 1 1 . 1 1 57 57 LYS N N 57 114.712 114.712 119.207 -4.495 18411 299 1 1 . 1 1 57 57 LYS HA H 57 4.165 4.165 4.108 0.057 18411 300 1 1 . 1 1 57 57 LYS C C 57 177.831 177.831 178.829 -0.998 18411 301 1 1 . 1 1 57 57 LYS CA C 57 59.905 59.905 59.313 0.592 18411 302 1 1 . 1 1 57 57 LYS CB C 57 33.873 33.873 32.503 1.370 18411 303 1 1 . 1 1 57 57 LYS H H 57 7.719 7.719 8.042 -0.323 18411 304 1 1 . 1 1 58 58 ASP N N 58 114.953 114.953 115.930 -0.977 18411 305 1 1 . 1 1 58 58 ASP HA H 58 4.843 4.843 4.806 0.037 18411 306 1 1 . 1 1 58 58 ASP C C 58 176.515 176.515 178.120 -1.605 18411 307 1 1 . 1 1 58 58 ASP CA C 58 56.125 56.125 56.164 -0.039 18411 308 1 1 . 1 1 58 58 ASP CB C 58 42.087 42.087 42.653 -0.566 18411 309 1 1 . 1 1 58 58 ASP H H 58 8.783 8.783 8.380 0.403 18411 310 1 1 . 1 1 59 59 ILE N N 59 115.807 115.807 120.979 -5.172 18411 311 1 1 . 1 1 59 59 ILE HA H 59 4.268 4.268 4.213 0.055 18411 312 1 1 . 1 1 59 59 ILE C C 59 176.369 176.369 176.644 -0.275 18411 313 1 1 . 1 1 59 59 ILE CA C 59 63.757 63.757 63.688 0.069 18411 314 1 1 . 1 1 59 59 ILE CB C 59 40.396 40.396 39.269 1.127 18411 315 1 1 . 1 1 59 59 ILE H H 59 7.455 7.455 7.993 -0.538 18411 316 1 1 . 1 1 60 60 TRP N N 60 120.937 120.937 122.622 -1.685 18411 317 1 1 . 1 1 60 60 TRP HA H 60 4.727 4.727 4.263 0.464 18411 318 1 1 . 1 1 60 60 TRP C C 60 177.428 177.428 178.426 -0.998 18411 319 1 1 . 1 1 60 60 TRP CA C 60 60.644 60.644 60.938 -0.294 18411 320 1 1 . 1 1 60 60 TRP CB C 60 30.907 30.907 30.420 0.487 18411 321 1 1 . 1 1 60 60 TRP H H 60 9.012 9.012 8.609 0.403 18411 322 1 1 . 1 1 61 61 LEU N N 61 113.624 113.624 117.031 -3.407 18411 323 1 1 . 1 1 61 61 LEU HA H 61 3.572 3.572 3.825 -0.253 18411 324 1 1 . 1 1 61 61 LEU C C 61 179.473 179.473 178.453 1.020 18411 325 1 1 . 1 1 61 61 LEU CA C 61 57.569 57.569 57.622 -0.053 18411 326 1 1 . 1 1 61 61 LEU CB C 61 41.040 41.040 41.290 -0.250 18411 327 1 1 . 1 1 61 61 LEU H H 61 9.210 9.210 8.751 0.460 18411 328 1 1 . 1 1 62 62 LYS N N 62 112.991 112.991 116.656 -3.665 18411 329 1 1 . 1 1 62 62 LYS HA H 62 3.889 3.889 4.038 -0.149 18411 330 1 1 . 1 1 62 62 LYS C C 62 178.111 178.111 177.952 0.159 18411 331 1 1 . 1 1 62 62 LYS CA C 62 56.667 56.667 57.970 -1.303 18411 332 1 1 . 1 1 62 62 LYS CB C 62 31.651 31.651 32.302 -0.651 18411 333 1 1 . 1 1 62 62 LYS H H 62 6.216 6.216 7.295 -1.079 18411 334 1 1 . 1 1 63 63 HIS N N 63 114.656 114.656 115.550 -0.894 18411 335 1 1 . 1 1 63 63 HIS HA H 63 4.943 4.943 4.568 0.375 18411 336 1 1 . 1 1 63 63 HIS C C 63 177.057 177.057 174.753 2.304 18411 337 1 1 . 1 1 63 63 HIS CA C 63 56.133 56.133 55.526 0.606 18411 338 1 1 . 1 1 63 63 HIS CB C 63 33.235 33.235 30.525 2.710 18411 339 1 1 . 1 1 63 63 HIS H H 63 7.067 7.067 7.647 -0.580 18411 340 1 1 . 1 1 64 64 LYS N N 64 119.155 119.155 118.564 0.591 18411 341 1 1 . 1 1 64 64 LYS HA H 64 3.513 3.513 3.639 -0.126 18411 342 1 1 . 1 1 64 64 LYS C C 64 177.074 177.074 176.552 0.522 18411 343 1 1 . 1 1 64 64 LYS CA C 64 59.166 59.166 58.822 0.344 18411 344 1 1 . 1 1 64 64 LYS CB C 64 28.740 28.740 31.005 -2.265 18411 345 1 1 . 1 1 64 64 LYS H H 64 8.114 8.114 7.679 0.435 18411 346 1 1 . 1 1 65 65 ASP N N 65 117.882 117.882 117.412 0.470 18411 347 1 1 . 1 1 65 65 ASP HA H 65 4.714 4.714 4.441 0.273 18411 348 1 1 . 1 1 65 65 ASP C C 65 175.195 175.195 177.858 -2.663 18411 349 1 1 . 1 1 65 65 ASP CA C 65 54.204 54.204 55.430 -1.226 18411 350 1 1 . 1 1 65 65 ASP CB C 65 40.564 40.564 41.662 -1.098 18411 351 1 1 . 1 1 65 65 ASP H H 65 7.963 7.963 7.918 0.045 18411 352 1 1 . 1 1 66 66 ASN N N 66 122.091 122.091 118.021 4.070 18411 353 1 1 . 1 1 66 66 ASN HA H 66 4.659 4.659 4.310 0.349 18411 354 1 1 . 1 1 66 66 ASN C C 66 176.046 176.046 174.673 1.373 18411 355 1 1 . 1 1 66 66 ASN CA C 66 52.799 52.799 55.667 -2.868 18411 356 1 1 . 1 1 66 66 ASN CB C 66 39.054 39.054 37.541 1.513 18411 357 1 1 . 1 1 66 66 ASN H H 66 8.184 8.184 8.650 -0.466 18411 358 1 1 . 1 1 67 67 ALA N N 67 128.893 128.893 118.773 10.120 18411 359 1 1 . 1 1 67 67 ALA HA H 67 4.295 4.295 4.206 0.089 18411 360 1 1 . 1 1 67 67 ALA C C 67 177.886 177.886 175.562 2.324 18411 361 1 1 . 1 1 67 67 ALA CA C 67 54.049 54.049 52.525 1.524 18411 362 1 1 . 1 1 67 67 ALA CB C 67 18.549 18.549 19.865 -1.316 18411 363 1 1 . 1 1 67 67 ALA H H 67 8.806 8.806 8.417 0.389 18411 364 1 1 . 1 1 68 68 ASP N N 68 116.612 116.612 118.116 -1.504 18411 365 1 1 . 1 1 68 68 ASP HA H 68 4.823 4.823 4.935 -0.112 18411 366 1 1 . 1 1 68 68 ASP C C 68 173.310 173.310 174.541 -1.231 18411 367 1 1 . 1 1 68 68 ASP CA C 68 54.202 54.202 53.895 0.307 18411 368 1 1 . 1 1 68 68 ASP CB C 68 40.892 40.892 42.981 -2.089 18411 369 1 1 . 1 1 68 68 ASP H H 68 8.759 8.759 8.079 0.680 18411 370 1 1 . 1 1 69 69 PHE N N 69 119.640 119.640 121.770 -2.130 18411 371 1 1 . 1 1 69 69 PHE HA H 69 5.741 5.741 5.222 0.519 18411 372 1 1 . 1 1 69 69 PHE C C 69 173.860 173.860 173.202 0.658 18411 373 1 1 . 1 1 69 69 PHE CA C 69 56.192 56.192 56.483 -0.291 18411 374 1 1 . 1 1 69 69 PHE CB C 69 43.496 43.496 42.709 0.787 18411 375 1 1 . 1 1 69 69 PHE H H 69 7.912 7.912 7.676 0.236 18411 376 1 1 . 1 1 70 70 ALA N N 70 130.226 130.226 129.297 0.929 18411 377 1 1 . 1 1 70 70 ALA HA H 70 4.321 4.321 4.815 -0.494 18411 378 1 1 . 1 1 70 70 ALA C C 70 171.945 171.945 174.490 -2.545 18411 379 1 1 . 1 1 70 70 ALA CA C 70 51.573 51.573 50.512 1.061 18411 380 1 1 . 1 1 70 70 ALA CB C 70 23.273 23.273 22.420 0.853 18411 381 1 1 . 1 1 70 70 ALA H H 70 8.298 8.298 8.525 -0.227 18411 382 1 1 . 1 1 71 71 LEU N N 71 122.090 122.090 125.449 -3.359 18411 383 1 1 . 1 1 71 71 LEU HA H 71 5.120 5.120 5.206 -0.086 18411 384 1 1 . 1 1 71 71 LEU C C 71 174.836 174.836 175.182 -0.346 18411 385 1 1 . 1 1 71 71 LEU CA C 71 53.348 53.348 54.056 -0.708 18411 386 1 1 . 1 1 71 71 LEU CB C 71 46.617 46.617 44.878 1.739 18411 387 1 1 . 1 1 71 71 LEU H H 71 7.217 7.217 8.671 -1.454 18411 388 1 1 . 1 1 72 72 ILE N N 72 123.189 123.189 125.420 -2.231 18411 389 1 1 . 1 1 72 72 ILE HA H 72 4.336 4.336 4.634 -0.298 18411 390 1 1 . 1 1 72 72 ILE C C 72 175.377 175.377 174.703 0.674 18411 391 1 1 . 1 1 72 72 ILE CA C 72 60.236 60.236 59.954 0.282 18411 392 1 1 . 1 1 72 72 ILE CB C 72 42.355 42.355 42.306 0.049 18411 393 1 1 . 1 1 72 72 ILE H H 72 8.211 8.211 8.846 -0.635 18411 394 1 1 . 1 1 73 73 GLY N N 73 114.189 114.189 113.981 0.208 18411 395 1 1 . 1 1 73 73 GLY C C 73 172.626 172.626 172.643 -0.017 18411 396 1 1 . 1 1 73 73 GLY CA C 73 44.213 44.213 43.542 0.671 18411 397 1 1 . 1 1 73 73 GLY H H 73 9.202 9.202 8.627 0.575 18411 398 1 1 . 1 1 74 74 ILE N N 74 126.577 126.577 125.212 1.365 18411 399 1 1 . 1 1 74 74 ILE HA H 74 3.873 3.873 4.735 -0.862 18411 400 1 1 . 1 1 74 74 ILE C C 74 174.792 174.792 174.206 0.586 18411 401 1 1 . 1 1 74 74 ILE CA C 74 61.660 61.660 60.172 1.488 18411 402 1 1 . 1 1 74 74 ILE CB C 74 37.394 37.394 40.613 -3.219 18411 403 1 1 . 1 1 74 74 ILE H H 74 9.279 9.279 9.201 0.078 18411 404 1 1 . 1 1 75 75 ASP N N 75 129.040 129.040 127.317 1.723 18411 405 1 1 . 1 1 75 75 ASP HA H 75 5.213 5.213 5.191 0.022 18411 406 1 1 . 1 1 75 75 ASP C C 75 175.696 175.696 176.787 -1.091 18411 407 1 1 . 1 1 75 75 ASP CA C 75 52.425 52.425 52.984 -0.559 18411 408 1 1 . 1 1 75 75 ASP CB C 75 41.673 41.673 43.789 -2.116 18411 409 1 1 . 1 1 75 75 ASP H H 75 8.592 8.592 8.565 0.027 18411 410 1 1 . 1 1 76 76 ARG N N 76 128.762 128.762 125.792 2.970 18411 411 1 1 . 1 1 76 76 ARG HA H 76 4.346 4.346 3.885 0.461 18411 412 1 1 . 1 1 76 76 ARG C C 76 174.562 174.562 175.473 -0.911 18411 413 1 1 . 1 1 76 76 ARG CA C 76 58.885 58.885 58.678 0.207 18411 414 1 1 . 1 1 76 76 ARG CB C 76 32.732 32.732 30.586 2.146 18411 415 1 1 . 1 1 76 76 ARG H H 76 8.842 8.842 8.289 0.553 18411 416 1 1 . 1 1 77 77 ASP N N 77 128.451 128.451 111.130 17.321 18411 417 1 1 . 1 1 77 77 ASP HA H 77 4.473 4.473 4.969 -0.496 18411 418 1 1 . 1 1 77 77 ASP C C 77 173.969 173.969 176.638 -2.669 18411 419 1 1 . 1 1 77 77 ASP CA C 77 56.139 56.139 54.216 1.923 18411 420 1 1 . 1 1 77 77 ASP CB C 77 42.541 42.541 42.785 -0.244 18411 421 1 1 . 1 1 77 77 ASP H H 77 8.256 8.256 8.567 -0.311 18411 422 1 1 . 1 1 78 78 GLU N N 78 114.796 114.796 121.906 -7.110 18411 423 1 1 . 1 1 78 78 GLU HA H 78 5.060 5.060 4.647 0.413 18411 424 1 1 . 1 1 78 78 GLU C C 78 174.225 174.225 175.265 -1.040 18411 425 1 1 . 1 1 78 78 GLU CA C 78 54.220 54.220 55.004 -0.784 18411 426 1 1 . 1 1 78 78 GLU CB C 78 32.842 32.842 29.663 3.179 18411 427 1 1 . 1 1 78 78 GLU H H 78 8.010 8.010 8.704 -0.694 18411 428 1 1 . 1 1 79 79 PRO HA H 79 4.579 4.579 4.477 0.102 18411 429 1 1 . 1 1 79 79 PRO C C 79 177.508 177.508 177.503 0.005 18411 430 1 1 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.380 -0.312 18411 431 1 1 . 1 1 79 79 PRO CB C 79 33.096 33.096 32.740 0.356 18411 432 1 1 . 1 1 80 80 LEU N N 80 122.209 122.209 121.434 0.775 18411 433 1 1 . 1 1 80 80 LEU HA H 80 3.927 3.927 4.047 -0.120 18411 434 1 1 . 1 1 80 80 LEU C C 80 177.847 177.847 178.416 -0.569 18411 435 1 1 . 1 1 80 80 LEU CA C 80 59.188 59.188 59.221 -0.033 18411 436 1 1 . 1 1 80 80 LEU CB C 80 42.001 42.001 40.884 1.117 18411 437 1 1 . 1 1 80 80 LEU H H 80 8.943 8.943 8.480 0.463 18411 438 1 1 . 1 1 81 81 GLU N N 81 115.361 115.361 117.217 -1.856 18411 439 1 1 . 1 1 81 81 GLU HA H 81 3.999 3.999 4.088 -0.089 18411 440 1 1 . 1 1 81 81 GLU C C 81 180.044 180.044 178.764 1.280 18411 441 1 1 . 1 1 81 81 GLU CA C 81 60.552 60.552 59.467 1.085 18411 442 1 1 . 1 1 81 81 GLU CB C 81 28.723 28.723 28.250 0.473 18411 443 1 1 . 1 1 81 81 GLU H H 81 9.534 9.534 9.031 0.503 18411 444 1 1 . 1 1 82 82 LYS N N 82 118.582 118.582 120.091 -1.509 18411 445 1 1 . 1 1 82 82 LYS HA H 82 4.183 4.183 4.063 0.120 18411 446 1 1 . 1 1 82 82 LYS C C 82 179.226 179.226 178.746 0.480 18411 447 1 1 . 1 1 82 82 LYS CA C 82 58.248 58.248 58.547 -0.299 18411 448 1 1 . 1 1 82 82 LYS CB C 82 32.912 32.912 31.449 1.463 18411 449 1 1 . 1 1 82 82 LYS H H 82 7.332 7.332 8.085 -0.753 18411 450 1 1 . 1 1 83 83 VAL N N 83 122.971 122.971 119.894 3.077 18411 451 1 1 . 1 1 83 83 VAL HA H 83 3.554 3.554 3.715 -0.161 18411 452 1 1 . 1 1 83 83 VAL C C 83 178.331 178.331 178.398 -0.067 18411 453 1 1 . 1 1 83 83 VAL CA C 83 67.063 67.063 66.519 0.544 18411 454 1 1 . 1 1 83 83 VAL CB C 83 31.497 31.497 31.662 -0.165 18411 455 1 1 . 1 1 83 83 VAL H H 83 7.743 7.743 7.787 -0.044 18411 456 1 1 . 1 1 84 84 LEU N N 84 119.209 119.209 120.508 -1.299 18411 457 1 1 . 1 1 84 84 LEU HA H 84 4.030 4.030 3.946 0.084 18411 458 1 1 . 1 1 84 84 LEU C C 84 180.647 180.647 178.605 2.042 18411 459 1 1 . 1 1 84 84 LEU CA C 84 57.975 57.975 58.256 -0.281 18411 460 1 1 . 1 1 84 84 LEU CB C 84 42.010 42.010 40.955 1.055 18411 461 1 1 . 1 1 84 84 LEU H H 84 8.706 8.706 8.225 0.481 18411 462 1 1 . 1 1 85 85 ALA N N 85 120.801 120.801 121.680 -0.879 18411 463 1 1 . 1 1 85 85 ALA HA H 85 4.198 4.198 4.022 0.176 18411 464 1 1 . 1 1 85 85 ALA C C 85 180.253 180.253 178.910 1.343 18411 465 1 1 . 1 1 85 85 ALA CA C 85 54.947 54.947 54.975 -0.028 18411 466 1 1 . 1 1 85 85 ALA CB C 85 17.973 17.973 18.335 -0.362 18411 467 1 1 . 1 1 85 85 ALA H H 85 7.440 7.440 8.261 -0.821 18411 468 1 1 . 1 1 86 86 PHE N N 86 123.035 123.035 119.800 3.235 18411 469 1 1 . 1 1 86 86 PHE HA H 86 4.905 4.905 4.097 0.808 18411 470 1 1 . 1 1 86 86 PHE C C 86 179.015 179.015 176.609 2.406 18411 471 1 1 . 1 1 86 86 PHE CA C 86 56.648 56.648 60.971 -4.323 18411 472 1 1 . 1 1 86 86 PHE CB C 86 39.249 39.249 39.407 -0.158 18411 473 1 1 . 1 1 86 86 PHE H H 86 8.040 8.040 8.064 -0.024 18411 474 1 1 . 1 1 87 87 ALA N N 87 123.932 123.932 122.160 1.772 18411 475 1 1 . 1 1 87 87 ALA HA H 87 3.480 3.480 3.777 -0.297 18411 476 1 1 . 1 1 87 87 ALA C C 87 179.800 179.800 179.099 0.701 18411 477 1 1 . 1 1 87 87 ALA CA C 87 55.183 55.183 54.852 0.330 18411 478 1 1 . 1 1 87 87 ALA CB C 87 17.602 17.602 18.586 -0.984 18411 479 1 1 . 1 1 87 87 ALA H H 87 8.453 8.453 8.624 -0.171 18411 480 1 1 . 1 1 88 88 LYS N N 88 116.535 116.535 115.728 0.807 18411 481 1 1 . 1 1 88 88 LYS HA H 88 4.030 4.030 3.974 0.056 18411 482 1 1 . 1 1 88 88 LYS C C 88 179.562 179.562 178.393 1.169 18411 483 1 1 . 1 1 88 88 LYS CA C 88 59.063 59.063 58.576 0.487 18411 484 1 1 . 1 1 88 88 LYS CB C 88 32.466 32.466 32.028 0.438 18411 485 1 1 . 1 1 88 88 LYS H H 88 7.664 7.664 7.930 -0.266 18411 486 1 1 . 1 1 89 89 SER N N 89 113.619 113.619 115.591 -1.972 18411 487 1 1 . 1 1 89 89 SER HA H 89 4.271 4.271 4.391 -0.120 18411 488 1 1 . 1 1 89 89 SER C C 89 177.004 177.004 175.663 1.341 18411 489 1 1 . 1 1 89 89 SER CA C 89 61.139 61.139 60.573 0.566 18411 490 1 1 . 1 1 89 89 SER CB C 89 63.327 63.327 63.442 -0.115 18411 491 1 1 . 1 1 89 89 SER H H 89 8.417 8.417 7.804 0.613 18411 492 1 1 . 1 1 90 90 THR N N 90 109.601 109.601 110.908 -1.307 18411 493 1 1 . 1 1 90 90 THR HA H 90 4.287 4.287 4.325 -0.038 18411 494 1 1 . 1 1 90 90 THR C C 90 176.074 176.074 175.648 0.426 18411 495 1 1 . 1 1 90 90 THR CA C 90 62.926 62.926 61.657 1.269 18411 496 1 1 . 1 1 90 90 THR CB C 90 70.563 70.563 69.104 1.459 18411 497 1 1 . 1 1 90 90 THR H H 90 7.710 7.710 7.361 0.349 18411 498 1 1 . 1 1 91 91 GLY N N 91 110.243 110.243 110.581 -0.338 18411 499 1 1 . 1 1 91 91 GLY C C 91 174.815 174.815 173.665 1.150 18411 500 1 1 . 1 1 91 91 GLY CA C 91 46.042 46.042 44.976 1.066 18411 501 1 1 . 1 1 91 91 GLY H H 91 7.609 7.609 7.794 -0.185 18411 502 1 1 . 1 1 92 92 VAL N N 92 112.099 112.099 122.257 -10.158 18411 503 1 1 . 1 1 92 92 VAL HA H 92 4.309 4.309 3.567 0.742 18411 504 1 1 . 1 1 92 92 VAL C C 92 178.372 178.372 175.651 2.721 18411 505 1 1 . 1 1 92 92 VAL CA C 92 60.696 60.696 63.108 -2.412 18411 506 1 1 . 1 1 92 92 VAL CB C 92 32.337 32.337 29.968 2.369 18411 507 1 1 . 1 1 92 92 VAL H H 92 7.046 7.046 7.954 -0.908 18411 508 1 1 . 1 1 93 93 THR N N 93 114.289 114.289 114.452 -0.163 18411 509 1 1 . 1 1 93 93 THR HA H 93 4.457 4.457 4.192 0.265 18411 510 1 1 . 1 1 93 93 THR C C 93 175.115 175.115 173.850 1.265 18411 511 1 1 . 1 1 93 93 THR CA C 93 61.280 61.280 62.719 -1.439 18411 512 1 1 . 1 1 93 93 THR CB C 93 70.314 70.314 69.801 0.513 18411 513 1 1 . 1 1 93 93 THR H H 93 10.844 10.844 9.133 1.711 18411 514 1 1 . 1 1 94 94 TYR N N 94 122.050 122.050 120.439 1.611 18411 515 1 1 . 1 1 94 94 TYR HA H 94 3.740 3.740 4.168 -0.428 18411 516 1 1 . 1 1 94 94 TYR C C 94 171.563 171.563 173.323 -1.760 18411 517 1 1 . 1 1 94 94 TYR CA C 94 53.080 53.080 53.102 -0.021 18411 518 1 1 . 1 1 94 94 TYR CB C 94 34.195 34.195 36.142 -1.947 18411 519 1 1 . 1 1 94 94 TYR H H 94 6.391 6.391 6.904 -0.513 18411 520 1 1 . 1 1 95 95 PRO HA H 95 4.105 4.105 4.288 -0.183 18411 521 1 1 . 1 1 95 95 PRO C C 95 175.152 175.152 175.580 -0.428 18411 522 1 1 . 1 1 95 95 PRO CA C 95 63.799 63.799 62.831 0.968 18411 523 1 1 . 1 1 95 95 PRO CB C 95 32.919 32.919 32.207 0.712 18411 524 1 1 . 1 1 96 96 LEU N N 96 122.325 122.325 123.675 -1.350 18411 525 1 1 . 1 1 96 96 LEU HA H 96 5.143 5.143 5.259 -0.116 18411 526 1 1 . 1 1 96 96 LEU C C 96 176.072 176.072 176.878 -0.806 18411 527 1 1 . 1 1 96 96 LEU CA C 96 52.794 52.794 53.366 -0.572 18411 528 1 1 . 1 1 96 96 LEU CB C 96 45.567 45.567 44.673 0.894 18411 529 1 1 . 1 1 96 96 LEU H H 96 8.256 8.256 7.746 0.510 18411 530 1 1 . 1 1 97 97 GLY N N 97 107.295 107.295 109.255 -1.960 18411 531 1 1 . 1 1 97 97 GLY C C 97 171.546 171.546 172.888 -1.342 18411 532 1 1 . 1 1 97 97 GLY CA C 97 44.069 44.069 43.624 0.445 18411 533 1 1 . 1 1 97 97 GLY H H 97 9.177 9.177 9.241 -0.064 18411 534 1 1 . 1 1 98 98 LEU N N 98 118.550 118.550 121.678 -3.128 18411 535 1 1 . 1 1 98 98 LEU HA H 98 4.872 4.872 4.531 0.341 18411 536 1 1 . 1 1 98 98 LEU C C 98 176.132 176.132 175.515 0.617 18411 537 1 1 . 1 1 98 98 LEU CA C 98 54.460 54.460 53.530 0.930 18411 538 1 1 . 1 1 98 98 LEU CB C 98 43.567 43.567 41.042 2.525 18411 539 1 1 . 1 1 98 98 LEU H H 98 8.106 8.106 8.472 -0.366 18411 540 1 1 . 1 1 99 99 ASP N N 99 118.061 118.061 124.431 -6.370 18411 541 1 1 . 1 1 99 99 ASP HA H 99 5.403 5.403 4.972 0.431 18411 542 1 1 . 1 1 99 99 ASP C C 99 175.069 175.069 174.369 0.700 18411 543 1 1 . 1 1 99 99 ASP CA C 99 51.057 51.057 50.566 0.491 18411 544 1 1 . 1 1 99 99 ASP CB C 99 42.069 42.069 42.650 -0.581 18411 545 1 1 . 1 1 99 99 ASP H H 99 8.481 8.481 8.316 0.165 18411 546 1 1 . 1 1 100 100 PRO HA H 100 4.564 4.564 4.630 -0.066 18411 547 1 1 . 1 1 100 100 PRO C C 100 179.600 179.600 177.267 2.333 18411 548 1 1 . 1 1 100 100 PRO CA C 100 64.020 64.020 63.195 0.825 18411 549 1 1 . 1 1 100 100 PRO CB C 100 31.455 31.455 30.422 1.033 18411 550 1 1 . 1 1 101 101 GLY N N 101 114.780 114.780 112.209 2.571 18411 551 1 1 . 1 1 101 101 GLY C C 101 173.600 173.600 173.946 -0.346 18411 552 1 1 . 1 1 101 101 GLY CA C 101 46.175 46.175 44.838 1.337 18411 553 1 1 . 1 1 101 101 GLY H H 101 9.045 9.045 8.076 0.969 18411 554 1 1 . 1 1 102 102 ALA N N 102 117.089 117.089 121.879 -4.790 18411 555 1 1 . 1 1 102 102 ALA HA H 102 4.376 4.376 4.229 0.147 18411 556 1 1 . 1 1 102 102 ALA C C 102 175.955 175.955 176.993 -1.038 18411 557 1 1 . 1 1 102 102 ALA CA C 102 52.693 52.693 52.731 -0.038 18411 558 1 1 . 1 1 102 102 ALA CB C 102 18.256 18.256 17.291 0.965 18411 559 1 1 . 1 1 102 102 ALA H H 102 8.257 8.257 7.982 0.275 18411 560 1 1 . 1 1 103 103 ASP N N 103 118.691 118.691 119.186 -0.495 18411 561 1 1 . 1 1 103 103 ASP HA H 103 4.444 4.444 4.519 -0.075 18411 562 1 1 . 1 1 103 103 ASP C C 103 179.021 179.021 177.721 1.300 18411 563 1 1 . 1 1 103 103 ASP CA C 103 57.935 57.935 56.832 1.103 18411 564 1 1 . 1 1 103 103 ASP CB C 103 41.368 41.368 41.541 -0.173 18411 565 1 1 . 1 1 103 103 ASP H H 103 6.739 6.739 8.478 -1.739 18411 566 1 1 . 1 1 104 104 ILE N N 104 126.075 126.075 119.536 6.539 18411 567 1 1 . 1 1 104 104 ILE HA H 104 3.682 3.682 3.847 -0.165 18411 568 1 1 . 1 1 104 104 ILE C C 104 179.321 179.321 177.322 1.999 18411 569 1 1 . 1 1 104 104 ILE CA C 104 66.522 66.522 62.861 3.661 18411 570 1 1 . 1 1 104 104 ILE CB C 104 36.754 36.754 37.036 -0.282 18411 571 1 1 . 1 1 104 104 ILE H H 104 11.476 11.476 8.383 3.093 18411 572 1 1 . 1 1 105 105 PHE N N 105 124.513 124.513 119.571 4.942 18411 573 1 1 . 1 1 105 105 PHE HA H 105 3.646 3.646 3.820 -0.174 18411 574 1 1 . 1 1 105 105 PHE C C 105 177.818 177.818 176.522 1.296 18411 575 1 1 . 1 1 105 105 PHE CA C 105 62.948 62.948 61.276 1.672 18411 576 1 1 . 1 1 105 105 PHE CB C 105 38.350 38.350 39.320 -0.970 18411 577 1 1 . 1 1 105 105 PHE H H 105 9.473 9.473 9.046 0.427 18411 578 1 1 . 1 1 106 106 ALA N N 106 115.835 115.835 119.694 -3.859 18411 579 1 1 . 1 1 106 106 ALA HA H 106 4.927 4.927 4.636 0.291 18411 580 1 1 . 1 1 106 106 ALA C C 106 179.271 179.271 178.524 0.747 18411 581 1 1 . 1 1 106 106 ALA CA C 106 52.672 52.672 53.593 -0.921 18411 582 1 1 . 1 1 106 106 ALA CB C 106 19.093 19.093 18.516 0.577 18411 583 1 1 . 1 1 106 106 ALA H H 106 8.418 8.418 7.537 0.881 18411 584 1 1 . 1 1 107 107 LYS N N 107 116.823 116.823 116.511 0.312 18411 585 1 1 . 1 1 107 107 LYS HA H 107 4.145 4.145 4.060 0.085 18411 586 1 1 . 1 1 107 107 LYS C C 107 176.006 176.006 176.614 -0.608 18411 587 1 1 . 1 1 107 107 LYS CA C 107 57.980 57.980 57.973 0.007 18411 588 1 1 . 1 1 107 107 LYS CB C 107 33.041 33.041 32.515 0.526 18411 589 1 1 . 1 1 107 107 LYS H H 107 8.106 8.106 7.577 0.529 18411 590 1 1 . 1 1 108 108 TYR N N 108 114.793 114.793 114.843 -0.050 18411 591 1 1 . 1 1 108 108 TYR HA H 108 4.311 4.311 4.483 -0.172 18411 592 1 1 . 1 1 108 108 TYR C C 108 176.010 176.010 174.082 1.928 18411 593 1 1 . 1 1 108 108 TYR CA C 108 59.270 59.270 59.015 0.255 18411 594 1 1 . 1 1 108 108 TYR CB C 108 40.965 40.965 41.215 -0.250 18411 595 1 1 . 1 1 108 108 TYR H H 108 7.811 7.811 7.395 0.416 18411 596 1 1 . 1 1 109 109 ALA N N 109 125.709 125.709 119.087 6.622 18411 597 1 1 . 1 1 109 109 ALA HA H 109 4.760 4.760 4.592 0.168 18411 598 1 1 . 1 1 109 109 ALA C C 109 174.711 174.711 174.545 0.166 18411 599 1 1 . 1 1 109 109 ALA CA C 109 50.276 50.276 50.090 0.186 18411 600 1 1 . 1 1 109 109 ALA CB C 109 21.924 21.924 21.519 0.405 18411 601 1 1 . 1 1 109 109 ALA H H 109 8.595 8.595 7.954 0.641 18411 602 1 1 . 1 1 110 110 LEU N N 110 117.834 117.834 119.355 -1.521 18411 603 1 1 . 1 1 110 110 LEU HA H 110 4.137 4.137 4.363 -0.226 18411 604 1 1 . 1 1 110 110 LEU C C 110 179.153 179.153 178.411 0.742 18411 605 1 1 . 1 1 110 110 LEU CA C 110 55.164 55.164 55.149 0.015 18411 606 1 1 . 1 1 110 110 LEU CB C 110 42.292 42.292 42.269 0.023 18411 607 1 1 . 1 1 110 110 LEU H H 110 7.814 7.814 8.332 -0.518 18411 608 1 1 . 1 1 111 111 ARG N N 111 119.787 119.787 122.091 -2.304 18411 609 1 1 . 1 1 111 111 ARG HA H 111 3.916 3.916 4.368 -0.452 18411 610 1 1 . 1 1 111 111 ARG C C 111 176.962 176.962 177.261 -0.299 18411 611 1 1 . 1 1 111 111 ARG CA C 111 60.538 60.538 59.777 0.761 18411 612 1 1 . 1 1 111 111 ARG CB C 111 30.424 30.424 29.999 0.425 18411 613 1 1 . 1 1 111 111 ARG H H 111 8.655 8.655 8.934 -0.279 18411 614 1 1 . 1 1 112 112 ASP N N 112 113.338 113.338 117.394 -4.056 18411 615 1 1 . 1 1 112 112 ASP HA H 112 4.662 4.662 4.720 -0.058 18411 616 1 1 . 1 1 112 112 ASP C C 112 176.387 176.387 175.451 0.936 18411 617 1 1 . 1 1 112 112 ASP CA C 112 52.833 52.833 53.880 -1.047 18411 618 1 1 . 1 1 112 112 ASP CB C 112 40.135 40.135 39.765 0.370 18411 619 1 1 . 1 1 112 112 ASP H H 112 8.205 8.205 8.530 -0.325 18411 620 1 1 . 1 1 113 113 ALA N N 113 122.885 122.885 122.408 0.477 18411 621 1 1 . 1 1 113 113 ALA HA H 113 4.347 4.347 5.057 -0.710 18411 622 1 1 . 1 1 113 113 ALA C C 113 177.740 177.740 176.908 0.832 18411 623 1 1 . 1 1 113 113 ALA CA C 113 51.983 51.983 51.439 0.544 18411 624 1 1 . 1 1 113 113 ALA CB C 113 20.558 20.558 19.648 0.909 18411 625 1 1 . 1 1 113 113 ALA H H 113 7.919 7.919 7.714 0.205 18411 626 1 1 . 1 1 114 114 GLY CA C 114 45.480 45.480 45.631 -0.151 18411 627 1 1 . 1 1 115 115 ILE N N 115 122.165 122.165 118.892 3.273 18411 628 1 1 . 1 1 115 115 ILE HA H 115 4.119 4.119 4.358 -0.239 18411 629 1 1 . 1 1 115 115 ILE CA C 115 60.788 60.788 62.058 -1.270 18411 630 1 1 . 1 1 115 115 ILE CB C 115 39.651 39.651 39.211 0.440 18411 631 1 1 . 1 1 115 115 ILE H H 115 8.253 8.253 8.171 0.082 18411 632 1 1 . 1 1 116 116 THR N N 116 110.198 110.198 117.513 -7.315 18411 633 1 1 . 1 1 116 116 THR HA H 116 4.101 4.101 4.427 -0.326 18411 634 1 1 . 1 1 116 116 THR CA C 116 62.947 62.947 63.407 -0.460 18411 635 1 1 . 1 1 116 116 THR CB C 116 69.031 69.031 67.320 1.711 18411 636 1 1 . 1 1 116 116 THR H H 116 7.033 7.033 8.063 -1.030 18411 637 1 1 . 1 1 117 117 ARG N N 117 130.624 130.624 122.973 7.651 18411 638 1 1 . 1 1 117 117 ARG HA H 117 4.997 4.997 5.030 -0.033 18411 639 1 1 . 1 1 117 117 ARG C C 117 173.296 173.296 173.809 -0.513 18411 640 1 1 . 1 1 117 117 ARG CA C 117 56.468 56.468 55.578 0.890 18411 641 1 1 . 1 1 117 117 ARG CB C 117 31.949 31.949 33.370 -1.421 18411 642 1 1 . 1 1 117 117 ARG H H 117 8.250 8.250 8.011 0.239 18411 643 1 1 . 1 1 118 118 ASN N N 118 118.226 118.226 119.601 -1.375 18411 644 1 1 . 1 1 118 118 ASN HA H 118 6.127 6.127 5.527 0.600 18411 645 1 1 . 1 1 118 118 ASN C C 118 173.805 173.805 173.719 0.086 18411 646 1 1 . 1 1 118 118 ASN CA C 118 51.759 51.759 52.965 -1.206 18411 647 1 1 . 1 1 118 118 ASN CB C 118 41.892 41.892 42.943 -1.051 18411 648 1 1 . 1 1 118 118 ASN H H 118 7.730 7.730 8.506 -0.776 18411 649 1 1 . 1 1 119 119 VAL N N 119 120.477 120.477 123.807 -3.330 18411 650 1 1 . 1 1 119 119 VAL HA H 119 4.766 4.766 4.435 0.331 18411 651 1 1 . 1 1 119 119 VAL C C 119 173.809 173.809 174.400 -0.591 18411 652 1 1 . 1 1 119 119 VAL CA C 119 60.808 60.808 61.806 -0.998 18411 653 1 1 . 1 1 119 119 VAL CB C 119 35.887 35.887 32.769 3.118 18411 654 1 1 . 1 1 119 119 VAL H H 119 9.269 9.269 9.331 -0.062 18411 655 1 1 . 1 1 120 120 LEU N N 120 128.017 128.017 130.682 -2.665 18411 656 1 1 . 1 1 120 120 LEU HA H 120 5.350 5.350 4.958 0.392 18411 657 1 1 . 1 1 120 120 LEU C C 120 174.606 174.606 174.943 -0.337 18411 658 1 1 . 1 1 120 120 LEU CA C 120 53.563 53.563 53.843 -0.280 18411 659 1 1 . 1 1 120 120 LEU CB C 120 46.211 46.211 43.651 2.560 18411 660 1 1 . 1 1 120 120 LEU H H 120 8.829 8.829 8.338 0.491 18411 661 1 1 . 1 1 121 121 ILE N N 121 131.629 131.629 127.680 3.949 18411 662 1 1 . 1 1 121 121 ILE HA H 121 4.799 4.799 4.787 0.012 18411 663 1 1 . 1 1 121 121 ILE C C 121 174.731 174.731 175.675 -0.944 18411 664 1 1 . 1 1 121 121 ILE CA C 121 60.450 60.450 60.666 -0.216 18411 665 1 1 . 1 1 121 121 ILE CB C 121 41.651 41.651 39.159 2.492 18411 666 1 1 . 1 1 121 121 ILE H H 121 9.659 9.659 9.266 0.393 18411 667 1 1 . 1 1 122 122 ASP N N 122 124.197 124.197 127.188 -2.991 18411 668 1 1 . 1 1 122 122 ASP HA H 122 4.513 4.513 4.900 -0.387 18411 669 1 1 . 1 1 122 122 ASP C C 122 177.586 177.586 176.377 1.209 18411 670 1 1 . 1 1 122 122 ASP CA C 122 52.442 52.442 52.563 -0.121 18411 671 1 1 . 1 1 122 122 ASP CB C 122 41.476 41.476 43.669 -2.193 18411 672 1 1 . 1 1 122 122 ASP H H 122 9.128 9.128 8.814 0.314 18411 673 1 1 . 1 1 123 123 ARG N N 123 113.396 113.396 118.988 -5.592 18411 674 1 1 . 1 1 123 123 ARG HA H 123 4.186 4.186 4.160 0.026 18411 675 1 1 . 1 1 123 123 ARG C C 123 178.717 178.717 177.794 0.923 18411 676 1 1 . 1 1 123 123 ARG CA C 123 58.243 58.243 59.086 -0.843 18411 677 1 1 . 1 1 123 123 ARG CB C 123 30.783 30.783 30.361 0.422 18411 678 1 1 . 1 1 123 123 ARG H H 123 7.870 7.870 8.782 -0.912 18411 679 1 1 . 1 1 124 124 GLU N N 124 117.427 117.427 115.873 1.554 18411 680 1 1 . 1 1 124 124 GLU HA H 124 4.310 4.310 4.161 0.149 18411 681 1 1 . 1 1 124 124 GLU C C 124 176.034 176.034 177.064 -1.030 18411 682 1 1 . 1 1 124 124 GLU CA C 124 56.164 56.164 57.162 -0.998 18411 683 1 1 . 1 1 124 124 GLU CB C 124 30.541 30.541 30.362 0.179 18411 684 1 1 . 1 1 124 124 GLU H H 124 8.155 8.155 8.419 -0.264 18411 685 1 1 . 1 1 125 125 GLY N N 125 105.681 105.681 105.810 -0.129 18411 686 1 1 . 1 1 125 125 GLY C C 125 174.204 174.204 173.465 0.739 18411 687 1 1 . 1 1 125 125 GLY CA C 125 45.160 45.160 44.886 0.274 18411 688 1 1 . 1 1 125 125 GLY H H 125 8.094 8.094 7.959 0.135 18411 689 1 1 . 1 1 126 126 LYS N N 126 122.326 122.326 120.525 1.801 18411 690 1 1 . 1 1 126 126 LYS HA H 126 4.647 4.647 5.082 -0.435 18411 691 1 1 . 1 1 126 126 LYS C C 126 176.390 176.390 175.781 0.609 18411 692 1 1 . 1 1 126 126 LYS CA C 126 55.393 55.393 54.593 0.800 18411 693 1 1 . 1 1 126 126 LYS CB C 126 33.569 33.569 35.205 -1.636 18411 694 1 1 . 1 1 126 126 LYS H H 126 8.502 8.502 8.832 -0.330 18411 695 1 1 . 1 1 127 127 ILE N N 127 121.946 121.946 124.140 -2.194 18411 696 1 1 . 1 1 127 127 ILE HA H 127 4.048 4.048 4.478 -0.430 18411 697 1 1 . 1 1 127 127 ILE C C 127 177.735 177.735 176.474 1.261 18411 698 1 1 . 1 1 127 127 ILE CA C 127 63.200 63.200 62.426 0.774 18411 699 1 1 . 1 1 127 127 ILE CB C 127 38.106 38.106 37.416 0.690 18411 700 1 1 . 1 1 127 127 ILE H H 127 8.739 8.739 9.161 -0.422 18411 701 1 1 . 1 1 128 128 VAL N N 128 122.026 122.026 124.625 -2.599 18411 702 1 1 . 1 1 128 128 VAL HA H 128 4.695 4.695 4.251 0.444 18411 703 1 1 . 1 1 128 128 VAL C C 128 175.968 175.968 175.366 0.602 18411 704 1 1 . 1 1 128 128 VAL CA C 128 61.535 61.535 62.650 -1.115 18411 705 1 1 . 1 1 128 128 VAL CB C 128 33.996 33.996 32.585 1.411 18411 706 1 1 . 1 1 128 128 VAL H H 128 9.397 9.397 8.660 0.737 18411 707 1 1 . 1 1 129 129 LYS N N 129 121.635 121.635 121.432 0.203 18411 708 1 1 . 1 1 129 129 LYS HA H 129 4.359 4.359 4.561 -0.202 18411 709 1 1 . 1 1 129 129 LYS C C 129 172.896 172.896 174.273 -1.377 18411 710 1 1 . 1 1 129 129 LYS CA C 129 57.322 57.322 54.470 2.852 18411 711 1 1 . 1 1 129 129 LYS CB C 129 36.802 36.802 33.534 3.268 18411 712 1 1 . 1 1 129 129 LYS H H 129 7.708 7.708 7.428 0.280 18411 713 1 1 . 1 1 130 130 LEU N N 130 126.219 126.219 127.898 -1.679 18411 714 1 1 . 1 1 130 130 LEU HA H 130 5.140 5.140 5.049 0.091 18411 715 1 1 . 1 1 130 130 LEU C C 130 176.956 176.956 176.970 -0.014 18411 716 1 1 . 1 1 130 130 LEU CA C 130 53.572 53.572 54.259 -0.687 18411 717 1 1 . 1 1 130 130 LEU CB C 130 44.700 44.700 42.877 1.823 18411 718 1 1 . 1 1 130 130 LEU H H 130 8.301 8.301 8.615 -0.314 18411 719 1 1 . 1 1 131 131 THR N N 131 113.484 113.484 119.838 -6.354 18411 720 1 1 . 1 1 131 131 THR HA H 131 5.136 5.136 4.941 0.196 18411 721 1 1 . 1 1 131 131 THR C C 131 175.492 175.492 173.582 1.910 18411 722 1 1 . 1 1 131 131 THR CA C 131 61.033 61.033 59.897 1.136 18411 723 1 1 . 1 1 131 131 THR CB C 131 70.922 70.922 71.604 -0.682 18411 724 1 1 . 1 1 131 131 THR H H 131 9.298 9.298 8.328 0.970 18411 725 1 1 . 1 1 132 132 ARG HA H 132 5.150 5.150 4.644 0.506 18411 726 1 1 . 1 1 132 132 ARG CA C 132 55.585 55.585 54.631 0.954 18411 727 1 1 . 1 1 132 132 ARG CB C 132 33.035 33.035 30.347 2.688 18411 728 1 1 . 1 1 133 133 LEU N N 133 118.967 118.967 119.766 -0.799 18411 729 1 1 . 1 1 133 133 LEU HA H 133 4.302 4.302 3.927 0.375 18411 730 1 1 . 1 1 133 133 LEU CA C 133 56.200 56.200 55.671 0.529 18411 731 1 1 . 1 1 133 133 LEU CB C 133 41.616 41.616 38.942 2.674 18411 732 1 1 . 1 1 133 133 LEU H H 133 8.167 8.167 8.283 -0.116 18411 733 1 1 . 1 1 134 134 TYR N N 134 124.816 124.816 117.392 7.424 18411 734 1 1 . 1 1 134 134 TYR HA H 134 4.963 4.963 3.918 1.045 18411 735 1 1 . 1 1 134 134 TYR CA C 134 57.154 57.154 60.974 -3.820 18411 736 1 1 . 1 1 134 134 TYR CB C 134 38.948 38.948 37.468 1.480 18411 737 1 1 . 1 1 134 134 TYR H H 134 7.805 7.805 8.426 -0.621 18411 738 1 1 . 1 1 135 135 ASN HA H 135 4.415 4.415 4.216 0.199 18411 739 1 1 . 1 1 135 135 ASN CA C 135 51.995 51.995 53.406 -1.411 18411 740 1 1 . 1 1 135 135 ASN CB C 135 40.521 40.521 38.481 2.040 18411 741 1 1 . 1 1 136 136 GLU HA H 136 3.694 3.694 3.449 0.245 18411 742 1 1 . 1 1 136 136 GLU C C 136 178.797 178.797 178.102 0.695 18411 743 1 1 . 1 1 136 136 GLU CA C 136 61.052 61.052 59.713 1.339 18411 744 1 1 . 1 1 136 136 GLU CB C 136 29.353 29.353 29.352 0.001 18411 745 1 1 . 1 1 137 137 GLU N N 137 120.717 120.717 118.887 1.830 18411 746 1 1 . 1 1 137 137 GLU HA H 137 4.176 4.176 4.011 0.165 18411 747 1 1 . 1 1 137 137 GLU C C 137 179.707 179.707 178.814 0.893 18411 748 1 1 . 1 1 137 137 GLU CA C 137 59.800 59.800 59.209 0.591 18411 749 1 1 . 1 1 137 137 GLU CB C 137 29.284 29.284 28.581 0.703 18411 750 1 1 . 1 1 137 137 GLU H H 137 8.364 8.364 8.053 0.311 18411 751 1 1 . 1 1 138 138 GLU N N 138 122.448 122.448 119.950 2.498 18411 752 1 1 . 1 1 138 138 GLU HA H 138 4.190 4.190 4.070 0.120 18411 753 1 1 . 1 1 138 138 GLU C C 138 179.927 179.927 179.005 0.922 18411 754 1 1 . 1 1 138 138 GLU CA C 138 59.129 59.129 59.022 0.108 18411 755 1 1 . 1 1 138 138 GLU CB C 138 30.064 30.064 29.392 0.672 18411 756 1 1 . 1 1 138 138 GLU H H 138 8.448 8.448 7.997 0.451 18411 757 1 1 . 1 1 139 139 PHE N N 139 122.454 122.454 120.643 1.811 18411 758 1 1 . 1 1 139 139 PHE HA H 139 4.171 4.171 4.091 0.080 18411 759 1 1 . 1 1 139 139 PHE C C 139 177.370 177.370 176.598 0.772 18411 760 1 1 . 1 1 139 139 PHE CA C 139 62.690 62.690 61.322 1.368 18411 761 1 1 . 1 1 139 139 PHE CB C 139 39.579 39.579 38.863 0.716 18411 762 1 1 . 1 1 139 139 PHE H H 139 8.895 8.895 8.455 0.440 18411 763 1 1 . 1 1 140 140 ALA N N 140 120.155 120.155 121.791 -1.636 18411 764 1 1 . 1 1 140 140 ALA HA H 140 4.100 4.100 3.801 0.299 18411 765 1 1 . 1 1 140 140 ALA C C 140 181.270 181.270 179.615 1.655 18411 766 1 1 . 1 1 140 140 ALA CA C 140 55.203 55.203 55.475 -0.272 18411 767 1 1 . 1 1 140 140 ALA CB C 140 17.716 17.716 17.956 -0.240 18411 768 1 1 . 1 1 140 140 ALA H H 140 8.240 8.240 8.214 0.026 18411 769 1 1 . 1 1 141 141 SER N N 141 114.095 114.095 114.605 -0.510 18411 770 1 1 . 1 1 141 141 SER HA H 141 4.267 4.267 4.193 0.074 18411 771 1 1 . 1 1 141 141 SER C C 141 176.895 176.895 176.542 0.353 18411 772 1 1 . 1 1 141 141 SER CA C 141 61.291 61.291 61.879 -0.588 18411 773 1 1 . 1 1 141 141 SER CB C 141 62.690 62.690 62.747 -0.057 18411 774 1 1 . 1 1 141 141 SER H H 141 7.835 7.835 7.909 -0.074 18411 775 1 1 . 1 1 142 142 LEU N N 142 126.764 126.764 123.347 3.417 18411 776 1 1 . 1 1 142 142 LEU HA H 142 3.908 3.908 3.954 -0.046 18411 777 1 1 . 1 1 142 142 LEU C C 142 176.876 176.876 178.183 -1.307 18411 778 1 1 . 1 1 142 142 LEU CA C 142 58.757 58.757 58.120 0.637 18411 779 1 1 . 1 1 142 142 LEU CB C 142 41.653 41.653 41.943 -0.290 18411 780 1 1 . 1 1 142 142 LEU H H 142 7.833 7.833 7.946 -0.113 18411 781 1 1 . 1 1 143 143 VAL N N 143 119.066 119.066 118.588 0.478 18411 782 1 1 . 1 1 143 143 VAL HA H 143 3.174 3.174 3.340 -0.166 18411 783 1 1 . 1 1 143 143 VAL C C 143 178.479 178.479 177.763 0.716 18411 784 1 1 . 1 1 143 143 VAL CA C 143 66.864 66.864 66.862 0.002 18411 785 1 1 . 1 1 143 143 VAL CB C 143 32.350 32.350 31.291 1.059 18411 786 1 1 . 1 1 143 143 VAL H H 143 8.010 8.010 8.206 -0.196 18411 787 1 1 . 1 1 144 144 GLN N N 144 118.170 118.170 118.823 -0.653 18411 788 1 1 . 1 1 144 144 GLN HA H 144 4.028 4.028 3.867 0.161 18411 789 1 1 . 1 1 144 144 GLN C C 144 178.335 178.335 178.122 0.213 18411 790 1 1 . 1 1 144 144 GLN CA C 144 59.591 59.591 59.313 0.278 18411 791 1 1 . 1 1 144 144 GLN CB C 144 32.906 32.906 28.376 4.530 18411 792 1 1 . 1 1 144 144 GLN H H 144 7.935 7.935 7.715 0.220 18411 793 1 1 . 1 1 145 145 GLN N N 145 119.839 119.839 119.618 0.221 18411 794 1 1 . 1 1 145 145 GLN HA H 145 4.029 4.029 4.028 0.001 18411 795 1 1 . 1 1 145 145 GLN C C 145 178.686 178.686 178.564 0.122 18411 796 1 1 . 1 1 145 145 GLN CA C 145 59.270 59.270 59.010 0.260 18411 797 1 1 . 1 1 145 145 GLN CB C 145 27.587 27.587 28.712 -1.125 18411 798 1 1 . 1 1 145 145 GLN H H 145 7.986 7.986 8.075 -0.089 18411 799 1 1 . 1 1 146 146 ILE N N 146 119.900 119.900 120.524 -0.624 18411 800 1 1 . 1 1 146 146 ILE HA H 146 3.345 3.345 3.545 -0.200 18411 801 1 1 . 1 1 146 146 ILE C C 146 177.393 177.393 177.698 -0.305 18411 802 1 1 . 1 1 146 146 ILE CA C 146 66.902 66.902 65.874 1.028 18411 803 1 1 . 1 1 146 146 ILE CB C 146 38.281 38.281 37.662 0.619 18411 804 1 1 . 1 1 146 146 ILE H H 146 8.171 8.171 8.420 -0.249 18411 805 1 1 . 1 1 147 147 ASN N N 147 116.163 116.163 117.064 -0.901 18411 806 1 1 . 1 1 147 147 ASN HA H 147 4.196 4.196 4.185 0.011 18411 807 1 1 . 1 1 147 147 ASN C C 147 179.035 179.035 177.786 1.249 18411 808 1 1 . 1 1 147 147 ASN CA C 147 56.348 56.348 56.031 0.317 18411 809 1 1 . 1 1 147 147 ASN CB C 147 38.062 38.062 37.724 0.338 18411 810 1 1 . 1 1 147 147 ASN H H 147 7.896 7.896 8.076 -0.180 18411 811 1 1 . 1 1 148 148 GLU N N 148 118.645 118.645 120.593 -1.948 18411 812 1 1 . 1 1 148 148 GLU HA H 148 3.970 3.970 4.080 -0.110 18411 813 1 1 . 1 1 148 148 GLU C C 148 179.964 179.964 178.844 1.120 18411 814 1 1 . 1 1 148 148 GLU CA C 148 59.340 59.340 59.211 0.129 18411 815 1 1 . 1 1 148 148 GLU CB C 148 29.572 29.572 29.874 -0.302 18411 816 1 1 . 1 1 148 148 GLU H H 148 8.311 8.311 7.585 0.727 18411 817 1 1 . 1 1 149 149 MET N N 149 119.218 119.218 118.332 0.886 18411 818 1 1 . 1 1 149 149 MET HA H 149 4.140 4.140 4.311 -0.171 18411 819 1 1 . 1 1 149 149 MET C C 149 179.419 179.419 178.144 1.275 18411 820 1 1 . 1 1 149 149 MET CA C 149 59.040 59.040 58.262 0.778 18411 821 1 1 . 1 1 149 149 MET CB C 149 35.293 35.293 32.266 3.027 18411 822 1 1 . 1 1 149 149 MET H H 149 8.527 8.527 8.297 0.230 18411 823 1 1 . 1 1 150 150 LEU N N 150 118.078 118.078 115.641 2.437 18411 824 1 1 . 1 1 150 150 LEU HA H 150 4.245 4.245 4.163 0.082 18411 825 1 1 . 1 1 150 150 LEU C C 150 178.141 178.141 179.364 -1.223 18411 826 1 1 . 1 1 150 150 LEU CA C 150 55.824 55.824 57.380 -1.556 18411 827 1 1 . 1 1 150 150 LEU CB C 150 41.533 41.533 41.246 0.287 18411 828 1 1 . 1 1 150 150 LEU H H 150 7.917 7.917 7.988 -0.071 18411 829 1 1 . 1 1 151 151 LYS N N 151 120.096 120.096 117.908 2.188 18411 830 1 1 . 1 1 151 151 LYS HA H 151 4.181 4.181 4.383 -0.202 18411 831 1 1 . 1 1 151 151 LYS C C 151 177.029 177.029 176.993 0.036 18411 832 1 1 . 1 1 151 151 LYS CA C 151 57.490 57.490 56.096 1.394 18411 833 1 1 . 1 1 151 151 LYS CB C 151 32.921 32.921 33.732 -0.811 18411 834 1 1 . 1 1 151 151 LYS H H 151 7.466 7.466 8.041 -0.575 18411 835 1 1 . 1 1 152 152 GLU N N 152 120.188 120.188 119.743 0.445 18411 836 1 1 . 1 1 152 152 GLU HA H 152 4.264 4.264 3.915 0.349 18411 837 1 1 . 1 1 152 152 GLU C C 152 177.259 177.259 175.076 2.183 18411 838 1 1 . 1 1 152 152 GLU CA C 152 57.070 57.070 56.845 0.225 18411 839 1 1 . 1 1 152 152 GLU CB C 152 30.385 30.385 29.030 1.355 18411 840 1 1 . 1 1 152 152 GLU H H 152 7.820 7.820 9.026 -1.206 18411 841 1 1 . 1 1 153 153 GLY N N 153 109.046 109.046 110.636 -1.590 18411 842 1 1 . 1 1 153 153 GLY C C 153 174.204 174.204 174.270 -0.066 18411 843 1 1 . 1 1 153 153 GLY CA C 153 45.327 45.327 45.010 0.317 18411 844 1 1 . 1 1 153 153 GLY H H 153 8.278 8.278 8.397 -0.119 18411 845 1 1 . 1 1 158 158 HIS HA H 158 4.606 4.606 4.145 0.461 18411 846 1 1 . 1 1 158 158 HIS C C 158 174.423 174.423 173.274 1.149 18411 847 1 1 . 1 1 158 158 HIS CA C 158 56.235 56.235 58.529 -2.294 18411 848 1 1 . 1 1 158 158 HIS CB C 158 31.028 31.028 28.502 2.526 18411 849 1 2 . 1 1 3 3 LEU HA H 3 3.930 3.930 4.663 -0.733 18411 850 1 2 . 1 1 3 3 LEU CA C 3 58.669 58.669 55.835 2.834 18411 851 1 2 . 1 1 3 3 LEU CB C 3 42.010 42.010 43.133 -1.123 18411 852 1 2 . 1 1 4 4 GLY C C 4 173.604 173.604 173.352 0.252 18411 853 1 2 . 1 1 4 4 GLY CA C 4 46.072 46.072 45.348 0.724 18411 854 1 2 . 1 1 5 5 TYR N N 5 116.195 116.195 120.499 -4.304 18411 855 1 2 . 1 1 5 5 TYR HA H 5 4.769 4.769 4.457 0.312 18411 856 1 2 . 1 1 5 5 TYR C C 5 177.898 177.898 176.411 1.487 18411 857 1 2 . 1 1 5 5 TYR CA C 5 60.102 60.102 59.536 0.566 18411 858 1 2 . 1 1 5 5 TYR CB C 5 39.615 39.615 38.946 0.670 18411 859 1 2 . 1 1 5 5 TYR H H 5 7.849 7.849 7.957 -0.108 18411 860 1 2 . 1 1 6 6 ILE N N 6 115.338 115.338 119.359 -4.021 18411 861 1 2 . 1 1 6 6 ILE HA H 6 4.514 4.514 4.420 0.094 18411 862 1 2 . 1 1 6 6 ILE C C 6 175.977 175.977 175.740 0.237 18411 863 1 2 . 1 1 6 6 ILE CA C 6 61.623 61.623 61.430 0.193 18411 864 1 2 . 1 1 6 6 ILE CB C 6 38.270 38.270 38.964 -0.694 18411 865 1 2 . 1 1 6 6 ILE H H 6 8.687 8.687 8.457 0.230 18411 866 1 2 . 1 1 7 7 VAL N N 7 113.122 113.122 120.482 -7.360 18411 867 1 2 . 1 1 7 7 VAL HA H 7 4.730 4.730 4.435 0.295 18411 868 1 2 . 1 1 7 7 VAL C C 7 174.331 174.331 175.495 -1.164 18411 869 1 2 . 1 1 7 7 VAL CA C 7 58.867 58.867 61.402 -2.535 18411 870 1 2 . 1 1 7 7 VAL CB C 7 34.475 34.475 33.949 0.526 18411 871 1 2 . 1 1 7 7 VAL H H 7 6.845 6.845 7.689 -0.844 18411 872 1 2 . 1 1 8 8 ARG N N 8 117.597 117.597 123.264 -5.667 18411 873 1 2 . 1 1 8 8 ARG HA H 8 4.539 4.539 4.713 -0.174 18411 874 1 2 . 1 1 8 8 ARG C C 8 175.618 175.618 175.389 0.229 18411 875 1 2 . 1 1 8 8 ARG CA C 8 53.717 53.717 53.952 -0.235 18411 876 1 2 . 1 1 8 8 ARG CB C 8 34.126 34.126 33.272 0.854 18411 877 1 2 . 1 1 8 8 ARG H H 8 7.978 7.978 9.214 -1.236 18411 878 1 2 . 1 1 9 9 ILE N N 9 118.377 118.377 121.225 -2.848 18411 879 1 2 . 1 1 9 9 ILE HA H 9 3.465 3.465 3.909 -0.444 18411 880 1 2 . 1 1 9 9 ILE C C 9 177.771 177.771 177.433 0.338 18411 881 1 2 . 1 1 9 9 ILE CA C 9 62.350 62.350 62.757 -0.407 18411 882 1 2 . 1 1 9 9 ILE CB C 9 37.049 37.049 37.316 -0.267 18411 883 1 2 . 1 1 9 9 ILE H H 9 8.085 8.085 8.486 -0.401 18411 884 1 2 . 1 1 10 10 GLY N N 10 115.204 115.204 115.363 -0.159 18411 885 1 2 . 1 1 10 10 GLY C C 10 174.235 174.235 174.380 -0.145 18411 886 1 2 . 1 1 10 10 GLY CA C 10 44.763 44.763 44.708 0.055 18411 887 1 2 . 1 1 10 10 GLY H H 10 9.149 9.149 9.116 0.033 18411 888 1 2 . 1 1 11 11 GLU N N 11 119.157 119.157 122.058 -2.901 18411 889 1 2 . 1 1 11 11 GLU HA H 11 4.392 4.392 4.378 0.014 18411 890 1 2 . 1 1 11 11 GLU C C 11 176.729 176.729 175.887 0.842 18411 891 1 2 . 1 1 11 11 GLU CA C 11 55.108 55.108 55.914 -0.806 18411 892 1 2 . 1 1 11 11 GLU CB C 11 31.473 31.473 30.547 0.926 18411 893 1 2 . 1 1 11 11 GLU H H 11 7.631 7.631 7.700 -0.069 18411 894 1 2 . 1 1 12 12 MET N N 12 119.646 119.646 121.262 -1.616 18411 895 1 2 . 1 1 12 12 MET HA H 12 4.593 4.593 4.474 0.119 18411 896 1 2 . 1 1 12 12 MET C C 12 177.162 177.162 176.604 0.558 18411 897 1 2 . 1 1 12 12 MET CA C 12 54.475 54.475 55.647 -1.172 18411 898 1 2 . 1 1 12 12 MET CB C 12 30.749 30.749 33.328 -2.579 18411 899 1 2 . 1 1 12 12 MET H H 12 8.566 8.566 8.488 0.078 18411 900 1 2 . 1 1 13 13 ALA N N 13 129.735 129.735 127.849 1.886 18411 901 1 2 . 1 1 13 13 ALA HA H 13 4.293 4.293 4.625 -0.332 18411 902 1 2 . 1 1 13 13 ALA C C 13 175.992 175.992 175.766 0.226 18411 903 1 2 . 1 1 13 13 ALA CA C 13 50.676 50.676 50.356 0.320 18411 904 1 2 . 1 1 13 13 ALA CB C 13 18.125 18.125 18.401 -0.276 18411 905 1 2 . 1 1 13 13 ALA H H 13 8.626 8.626 8.861 -0.235 18411 906 1 2 . 1 1 14 14 PRO HA H 14 4.253 4.253 4.267 -0.014 18411 907 1 2 . 1 1 14 14 PRO C C 14 176.066 176.066 176.380 -0.314 18411 908 1 2 . 1 1 14 14 PRO CA C 14 63.478 63.478 62.894 0.584 18411 909 1 2 . 1 1 14 14 PRO CB C 14 32.987 32.987 31.473 1.514 18411 910 1 2 . 1 1 15 15 ASP N N 15 123.075 123.075 122.797 0.278 18411 911 1 2 . 1 1 15 15 ASP HA H 15 4.700 4.700 4.465 0.235 18411 912 1 2 . 1 1 15 15 ASP C C 15 176.067 176.067 175.656 0.411 18411 913 1 2 . 1 1 15 15 ASP CA C 15 53.628 53.628 55.236 -1.609 18411 914 1 2 . 1 1 15 15 ASP CB C 15 41.613 41.613 42.223 -0.610 18411 915 1 2 . 1 1 15 15 ASP H H 15 8.373 8.373 8.486 -0.113 18411 916 1 2 . 1 1 16 16 PHE N N 16 114.256 114.256 116.335 -2.079 18411 917 1 2 . 1 1 16 16 PHE HA H 16 4.869 4.869 4.909 -0.040 18411 918 1 2 . 1 1 16 16 PHE C C 16 173.028 173.028 173.333 -0.305 18411 919 1 2 . 1 1 16 16 PHE CA C 16 56.721 56.721 55.976 0.745 18411 920 1 2 . 1 1 16 16 PHE CB C 16 40.560 40.560 41.919 -1.359 18411 921 1 2 . 1 1 16 16 PHE H H 16 7.950 7.950 7.611 0.339 18411 922 1 2 . 1 1 17 17 THR N N 17 116.459 116.459 117.255 -0.796 18411 923 1 2 . 1 1 17 17 THR HA H 17 5.244 5.244 5.408 -0.164 18411 924 1 2 . 1 1 17 17 THR C C 17 172.722 172.722 173.581 -0.859 18411 925 1 2 . 1 1 17 17 THR CA C 17 62.061 62.061 62.065 -0.004 18411 926 1 2 . 1 1 17 17 THR CB C 17 70.882 70.882 69.907 0.975 18411 927 1 2 . 1 1 17 17 THR H H 17 8.596 8.596 8.532 0.064 18411 928 1 2 . 1 1 18 18 ILE N N 18 128.165 128.165 127.653 0.512 18411 929 1 2 . 1 1 18 18 ILE HA H 18 4.995 4.995 4.578 0.417 18411 930 1 2 . 1 1 18 18 ILE C C 18 172.309 172.309 174.024 -1.715 18411 931 1 2 . 1 1 18 18 ILE CA C 18 59.123 59.123 59.331 -0.208 18411 932 1 2 . 1 1 18 18 ILE CB C 18 43.984 43.984 41.560 2.424 18411 933 1 2 . 1 1 18 18 ILE H H 18 9.574 9.574 8.924 0.650 18411 934 1 2 . 1 1 19 19 THR N N 19 124.473 124.473 124.181 0.292 18411 935 1 2 . 1 1 19 19 THR HA H 19 4.821 4.821 5.192 -0.371 18411 936 1 2 . 1 1 19 19 THR C C 19 174.104 174.104 174.522 -0.418 18411 937 1 2 . 1 1 19 19 THR CA C 19 62.316 62.316 62.469 -0.153 18411 938 1 2 . 1 1 19 19 THR CB C 19 69.287 69.287 69.472 -0.185 18411 939 1 2 . 1 1 19 19 THR H H 19 9.081 9.081 8.610 0.471 18411 940 1 2 . 1 1 20 20 LEU N N 20 125.167 125.167 126.105 -0.938 18411 941 1 2 . 1 1 20 20 LEU HA H 20 5.082 5.082 4.857 0.225 18411 942 1 2 . 1 1 20 20 LEU C C 20 181.023 181.023 179.328 1.695 18411 943 1 2 . 1 1 20 20 LEU CA C 20 54.191 54.191 54.098 0.093 18411 944 1 2 . 1 1 20 20 LEU CB C 20 42.219 42.219 43.165 -0.946 18411 945 1 2 . 1 1 20 20 LEU H H 20 9.227 9.227 8.988 0.239 18411 946 1 2 . 1 1 21 21 THR N N 21 109.887 109.887 114.303 -4.416 18411 947 1 2 . 1 1 21 21 THR HA H 21 3.831 3.831 4.040 -0.209 18411 948 1 2 . 1 1 21 21 THR C C 21 174.716 174.716 175.084 -0.368 18411 949 1 2 . 1 1 21 21 THR CA C 21 64.992 64.992 65.692 -0.700 18411 950 1 2 . 1 1 21 21 THR CB C 21 68.529 68.529 68.713 -0.185 18411 951 1 2 . 1 1 21 21 THR H H 21 8.603 8.603 8.725 -0.122 18411 952 1 2 . 1 1 22 22 ASP N N 22 117.311 117.311 117.729 -0.418 18411 953 1 2 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.635 -0.041 18411 954 1 2 . 1 1 22 22 ASP C C 22 177.771 177.771 176.680 1.091 18411 955 1 2 . 1 1 22 22 ASP CA C 22 53.173 53.173 53.154 0.019 18411 956 1 2 . 1 1 22 22 ASP CB C 22 40.449 40.449 39.479 0.970 18411 957 1 2 . 1 1 22 22 ASP H H 22 7.530 7.530 7.941 -0.411 18411 958 1 2 . 1 1 23 23 GLY N N 23 108.847 108.847 107.807 1.040 18411 959 1 2 . 1 1 23 23 GLY C C 23 174.806 174.806 174.147 0.659 18411 960 1 2 . 1 1 23 23 GLY CA C 23 45.028 45.028 45.672 -0.644 18411 961 1 2 . 1 1 23 23 GLY H H 23 8.203 8.203 7.907 0.296 18411 962 1 2 . 1 1 24 24 LYS N N 24 122.092 122.092 118.989 3.103 18411 963 1 2 . 1 1 24 24 LYS HA H 24 4.267 4.267 4.703 -0.436 18411 964 1 2 . 1 1 24 24 LYS C C 24 175.350 175.350 175.338 0.012 18411 965 1 2 . 1 1 24 24 LYS CA C 24 57.060 57.060 53.729 3.331 18411 966 1 2 . 1 1 24 24 LYS CB C 24 33.271 33.271 34.643 -1.372 18411 967 1 2 . 1 1 24 24 LYS H H 24 7.881 7.881 8.082 -0.201 18411 968 1 2 . 1 1 25 25 GLN N N 25 119.585 119.585 119.710 -0.125 18411 969 1 2 . 1 1 25 25 GLN HA H 25 5.561 5.561 5.269 0.292 18411 970 1 2 . 1 1 25 25 GLN C C 25 176.631 176.631 175.483 1.148 18411 971 1 2 . 1 1 25 25 GLN CA C 25 54.572 54.572 54.561 0.011 18411 972 1 2 . 1 1 25 25 GLN CB C 25 31.621 31.621 30.764 0.857 18411 973 1 2 . 1 1 25 25 GLN H H 25 8.365 8.365 8.495 -0.130 18411 974 1 2 . 1 1 26 26 VAL N N 26 123.115 123.115 121.760 1.355 18411 975 1 2 . 1 1 26 26 VAL HA H 26 4.466 4.466 4.641 -0.175 18411 976 1 2 . 1 1 26 26 VAL C C 26 174.390 174.390 174.331 0.059 18411 977 1 2 . 1 1 26 26 VAL CA C 26 61.142 61.142 59.700 1.442 18411 978 1 2 . 1 1 26 26 VAL CB C 26 35.962 35.962 33.614 2.348 18411 979 1 2 . 1 1 26 26 VAL H H 26 9.069 9.069 8.804 0.265 18411 980 1 2 . 1 1 27 27 THR N N 27 122.509 122.509 119.820 2.689 18411 981 1 2 . 1 1 27 27 THR HA H 27 5.437 5.437 5.154 0.283 18411 982 1 2 . 1 1 27 27 THR C C 27 176.330 176.330 175.528 0.802 18411 983 1 2 . 1 1 27 27 THR CA C 27 60.068 60.068 60.542 -0.474 18411 984 1 2 . 1 1 27 27 THR CB C 27 70.655 70.655 71.630 -0.975 18411 985 1 2 . 1 1 27 27 THR H H 27 8.256 8.256 8.254 0.002 18411 986 1 2 . 1 1 28 28 LEU N N 28 131.816 131.816 124.404 7.412 18411 987 1 2 . 1 1 28 28 LEU HA H 28 3.607 3.607 3.727 -0.120 18411 988 1 2 . 1 1 28 28 LEU C C 28 180.093 180.093 178.169 1.924 18411 989 1 2 . 1 1 28 28 LEU CA C 28 59.264 59.264 57.835 1.429 18411 990 1 2 . 1 1 28 28 LEU CB C 28 39.396 39.396 41.538 -2.142 18411 991 1 2 . 1 1 28 28 LEU H H 28 8.311 8.311 8.261 0.050 18411 992 1 2 . 1 1 29 29 SER N N 29 114.727 114.727 113.315 1.412 18411 993 1 2 . 1 1 29 29 SER HA H 29 4.003 4.003 4.175 -0.172 18411 994 1 2 . 1 1 29 29 SER C C 29 177.762 177.762 176.648 1.114 18411 995 1 2 . 1 1 29 29 SER CA C 29 60.896 60.896 61.110 -0.214 18411 996 1 2 . 1 1 29 29 SER CB C 29 61.091 61.091 62.652 -1.561 18411 997 1 2 . 1 1 29 29 SER H H 29 9.491 9.491 8.276 1.215 18411 998 1 2 . 1 1 30 30 SER N N 30 119.100 119.100 116.515 2.585 18411 999 1 2 . 1 1 30 30 SER HA H 30 4.476 4.476 4.294 0.182 18411 1000 1 2 . 1 1 30 30 SER C C 30 175.104 175.104 175.497 -0.393 18411 1001 1 2 . 1 1 30 30 SER CA C 30 60.661 60.661 60.195 0.466 18411 1002 1 2 . 1 1 30 30 SER CB C 30 63.174 63.174 62.805 0.369 18411 1003 1 2 . 1 1 30 30 SER H H 30 7.878 7.878 7.679 0.199 18411 1004 1 2 . 1 1 31 31 LEU N N 31 121.415 121.415 120.809 0.606 18411 1005 1 2 . 1 1 31 31 LEU HA H 31 4.258 4.258 4.380 -0.122 18411 1006 1 2 . 1 1 31 31 LEU C C 31 175.710 175.710 176.573 -0.863 18411 1007 1 2 . 1 1 31 31 LEU CA C 31 53.804 53.804 54.029 -0.225 18411 1008 1 2 . 1 1 31 31 LEU CB C 31 41.285 41.285 41.931 -0.646 18411 1009 1 2 . 1 1 31 31 LEU H H 31 8.026 8.026 7.230 0.796 18411 1010 1 2 . 1 1 32 32 ARG N N 32 119.061 119.061 119.463 -0.402 18411 1011 1 2 . 1 1 32 32 ARG HA H 32 4.411 4.411 4.063 0.348 18411 1012 1 2 . 1 1 32 32 ARG C C 32 177.585 177.585 177.316 0.269 18411 1013 1 2 . 1 1 32 32 ARG CA C 32 57.590 57.590 56.985 0.605 18411 1014 1 2 . 1 1 32 32 ARG CB C 32 29.497 29.497 29.657 -0.160 18411 1015 1 2 . 1 1 32 32 ARG H H 32 6.788 6.788 7.505 -0.717 18411 1016 1 2 . 1 1 33 33 GLY N N 33 114.033 114.033 113.168 0.865 18411 1017 1 2 . 1 1 33 33 GLY C C 33 173.456 173.456 173.954 -0.498 18411 1018 1 2 . 1 1 33 33 GLY CA C 33 44.684 44.684 45.200 -0.516 18411 1019 1 2 . 1 1 33 33 GLY H H 33 9.120 9.120 8.837 0.283 18411 1020 1 2 . 1 1 34 34 LYS N N 34 120.270 120.270 119.445 0.825 18411 1021 1 2 . 1 1 34 34 LYS HA H 34 4.606 4.606 4.717 -0.111 18411 1022 1 2 . 1 1 34 34 LYS C C 34 175.350 175.350 176.205 -0.855 18411 1023 1 2 . 1 1 34 34 LYS CA C 34 54.786 54.786 53.817 0.969 18411 1024 1 2 . 1 1 34 34 LYS CB C 34 34.125 34.125 34.846 -0.721 18411 1025 1 2 . 1 1 34 34 LYS H H 34 8.146 8.146 7.646 0.500 18411 1026 1 2 . 1 1 35 35 VAL N N 35 122.059 122.059 123.942 -1.883 18411 1027 1 2 . 1 1 35 35 VAL HA H 35 4.020 4.020 4.292 -0.272 18411 1028 1 2 . 1 1 35 35 VAL C C 35 174.699 174.699 173.903 0.796 18411 1029 1 2 . 1 1 35 35 VAL CA C 35 63.108 63.108 61.353 1.755 18411 1030 1 2 . 1 1 35 35 VAL CB C 35 33.022 33.022 32.597 0.425 18411 1031 1 2 . 1 1 35 35 VAL H H 35 8.757 8.757 8.740 0.017 18411 1032 1 2 . 1 1 36 36 VAL N N 36 125.815 125.815 129.418 -3.603 18411 1033 1 2 . 1 1 36 36 VAL HA H 36 4.856 4.856 5.001 -0.145 18411 1034 1 2 . 1 1 36 36 VAL C C 36 174.622 174.622 174.454 0.168 18411 1035 1 2 . 1 1 36 36 VAL CA C 36 60.078 60.078 60.190 -0.112 18411 1036 1 2 . 1 1 36 36 VAL CB C 36 35.605 35.605 33.368 2.237 18411 1037 1 2 . 1 1 36 36 VAL H H 36 8.485 8.485 8.209 0.276 18411 1038 1 2 . 1 1 37 37 MET N N 37 126.478 126.478 127.656 -1.178 18411 1039 1 2 . 1 1 37 37 MET HA H 37 5.383 5.383 5.068 0.315 18411 1040 1 2 . 1 1 37 37 MET C C 37 173.473 173.473 173.687 -0.214 18411 1041 1 2 . 1 1 37 37 MET CA C 37 53.661 53.661 53.985 -0.324 18411 1042 1 2 . 1 1 37 37 MET CB C 37 35.948 35.948 35.601 0.347 18411 1043 1 2 . 1 1 37 37 MET H H 37 8.694 8.694 8.858 -0.164 18411 1044 1 2 . 1 1 38 38 LEU N N 38 124.275 124.275 127.207 -2.932 18411 1045 1 2 . 1 1 38 38 LEU HA H 38 5.100 5.100 4.993 0.107 18411 1046 1 2 . 1 1 38 38 LEU C C 38 175.828 175.828 175.179 0.649 18411 1047 1 2 . 1 1 38 38 LEU CA C 38 52.144 52.144 52.358 -0.214 18411 1048 1 2 . 1 1 38 38 LEU CB C 38 42.898 42.898 41.344 1.554 18411 1049 1 2 . 1 1 38 38 LEU H H 38 9.181 9.181 9.255 -0.074 18411 1050 1 2 . 1 1 39 39 GLN N N 39 124.390 124.390 125.089 -0.699 18411 1051 1 2 . 1 1 39 39 GLN HA H 39 5.369 5.369 4.932 0.437 18411 1052 1 2 . 1 1 39 39 GLN C C 39 175.696 175.696 174.233 1.463 18411 1053 1 2 . 1 1 39 39 GLN CA C 39 54.025 54.025 53.572 0.453 18411 1054 1 2 . 1 1 39 39 GLN CB C 39 28.735 28.735 30.503 -1.768 18411 1055 1 2 . 1 1 39 39 GLN H H 39 8.325 8.325 8.282 0.043 18411 1056 1 2 . 1 1 40 40 PHE N N 40 128.800 128.800 129.227 -0.427 18411 1057 1 2 . 1 1 40 40 PHE HA H 40 5.182 5.182 5.885 -0.703 18411 1058 1 2 . 1 1 40 40 PHE C C 40 175.432 175.432 175.914 -0.482 18411 1059 1 2 . 1 1 40 40 PHE CA C 40 59.370 59.370 56.904 2.466 18411 1060 1 2 . 1 1 40 40 PHE CB C 40 39.256 39.256 39.963 -0.707 18411 1061 1 2 . 1 1 40 40 PHE H H 40 8.899 8.899 9.164 -0.265 18411 1062 1 2 . 1 1 41 41 THR N N 41 117.616 117.616 117.425 0.191 18411 1063 1 2 . 1 1 41 41 THR HA H 41 5.274 5.274 4.990 0.284 18411 1064 1 2 . 1 1 41 41 THR C C 41 170.795 170.795 172.393 -1.598 18411 1065 1 2 . 1 1 41 41 THR CA C 41 59.448 59.448 58.922 0.527 18411 1066 1 2 . 1 1 41 41 THR CB C 41 70.892 70.892 70.936 -0.044 18411 1067 1 2 . 1 1 41 41 THR H H 41 8.589 8.589 8.908 -0.319 18411 1068 1 2 . 1 1 42 42 ALA N N 42 122.005 122.005 121.267 0.738 18411 1069 1 2 . 1 1 42 42 ALA HA H 42 4.162 4.162 4.411 -0.249 18411 1070 1 2 . 1 1 42 42 ALA C C 42 177.618 177.618 175.710 1.908 18411 1071 1 2 . 1 1 42 42 ALA CA C 42 52.454 52.454 51.185 1.269 18411 1072 1 2 . 1 1 42 42 ALA CB C 42 20.704 20.704 20.859 -0.155 18411 1073 1 2 . 1 1 42 42 ALA H H 42 7.201 7.201 7.652 -0.451 18411 1074 1 2 . 1 1 43 43 SER N N 43 117.426 117.426 116.664 0.762 18411 1075 1 2 . 1 1 43 43 SER HA H 43 1.542 1.542 2.797 -1.255 18411 1076 1 2 . 1 1 43 43 SER C C 43 174.845 174.845 174.569 0.276 18411 1077 1 2 . 1 1 43 43 SER CA C 43 60.202 60.202 60.245 -0.043 18411 1078 1 2 . 1 1 43 43 SER CB C 43 63.040 63.040 63.421 -0.381 18411 1079 1 2 . 1 1 43 43 SER H H 43 9.472 9.472 9.297 0.175 18411 1080 1 2 . 1 1 44 44 TRP N N 44 116.512 116.512 117.132 -0.620 18411 1081 1 2 . 1 1 44 44 TRP HA H 44 4.495 4.495 4.925 -0.430 18411 1082 1 2 . 1 1 44 44 TRP C C 44 176.297 176.297 175.467 0.830 18411 1083 1 2 . 1 1 44 44 TRP CA C 44 53.405 53.405 53.964 -0.559 18411 1084 1 2 . 1 1 44 44 TRP CB C 44 29.450 29.450 28.921 0.529 18411 1085 1 2 . 1 1 44 44 TRP H H 44 6.345 6.345 6.916 -0.571 18411 1086 1 2 . 1 1 45 45 CYS N N 45 125.015 125.015 119.438 5.577 18411 1087 1 2 . 1 1 45 45 CYS HA H 45 4.501 4.501 4.750 -0.249 18411 1088 1 2 . 1 1 45 45 CYS C C 45 176.409 176.409 175.850 0.559 18411 1089 1 2 . 1 1 45 45 CYS CA C 45 58.904 58.904 56.715 2.189 18411 1090 1 2 . 1 1 45 45 CYS CB C 45 28.203 28.203 28.704 -0.501 18411 1091 1 2 . 1 1 45 45 CYS H H 45 6.982 6.982 6.961 0.021 18411 1092 1 2 . 1 1 46 46 GLY CA C 46 47.225 47.225 46.510 0.715 18411 1093 1 2 . 1 1 47 47 VAL HA H 47 3.804 3.804 3.775 0.029 18411 1094 1 2 . 1 1 47 47 VAL CA C 47 66.661 66.661 65.265 1.396 18411 1095 1 2 . 1 1 47 47 VAL CB C 47 31.506 31.506 31.397 0.109 18411 1096 1 2 . 1 1 48 48 CYS HA H 48 3.875 3.875 4.200 -0.325 18411 1097 1 2 . 1 1 48 48 CYS C C 48 177.961 177.961 176.199 1.762 18411 1098 1 2 . 1 1 48 48 CYS CA C 48 65.053 65.053 61.963 3.090 18411 1099 1 2 . 1 1 48 48 CYS CB C 48 28.741 28.741 26.380 2.361 18411 1100 1 2 . 1 1 49 49 ARG N N 49 115.039 115.039 117.900 -2.861 18411 1101 1 2 . 1 1 49 49 ARG HA H 49 3.898 3.898 4.204 -0.306 18411 1102 1 2 . 1 1 49 49 ARG C C 49 177.871 177.871 177.070 0.801 18411 1103 1 2 . 1 1 49 49 ARG CA C 49 59.837 59.837 58.020 1.817 18411 1104 1 2 . 1 1 49 49 ARG CB C 49 30.585 30.585 29.692 0.893 18411 1105 1 2 . 1 1 49 49 ARG H H 49 7.658 7.658 7.628 0.030 18411 1106 1 2 . 1 1 50 50 LYS N N 50 117.909 117.909 118.798 -0.889 18411 1107 1 2 . 1 1 50 50 LYS HA H 50 4.098 4.098 4.206 -0.108 18411 1108 1 2 . 1 1 50 50 LYS C C 50 177.723 177.723 177.345 0.378 18411 1109 1 2 . 1 1 50 50 LYS CA C 50 58.198 58.198 58.220 -0.022 18411 1110 1 2 . 1 1 50 50 LYS CB C 50 32.803 32.803 32.977 -0.174 18411 1111 1 2 . 1 1 50 50 LYS H H 50 7.385 7.385 7.694 -0.309 18411 1112 1 2 . 1 1 51 51 GLU N N 51 117.196 117.196 120.083 -2.887 18411 1113 1 2 . 1 1 51 51 GLU HA H 51 3.453 3.453 3.478 -0.025 18411 1114 1 2 . 1 1 51 51 GLU C C 51 179.194 179.194 178.899 0.295 18411 1115 1 2 . 1 1 51 51 GLU CA C 51 57.754 57.754 59.487 -1.734 18411 1116 1 2 . 1 1 51 51 GLU CB C 51 29.825 29.825 29.631 0.194 18411 1117 1 2 . 1 1 51 51 GLU H H 51 7.764 7.764 7.473 0.291 18411 1118 1 2 . 1 1 52 52 MET N N 52 118.785 118.785 117.279 1.506 18411 1119 1 2 . 1 1 52 52 MET HA H 52 3.979 3.979 4.450 -0.471 18411 1120 1 2 . 1 1 52 52 MET C C 52 174.346 174.346 175.844 -1.498 18411 1121 1 2 . 1 1 52 52 MET CA C 52 62.384 62.384 61.656 0.728 18411 1122 1 2 . 1 1 52 52 MET CB C 52 32.805 32.805 30.649 2.156 18411 1123 1 2 . 1 1 52 52 MET H H 52 8.100 8.100 8.542 -0.442 18411 1124 1 2 . 1 1 53 53 PRO HA H 53 4.299 4.299 4.555 -0.256 18411 1125 1 2 . 1 1 53 53 PRO C C 53 179.242 179.242 179.636 -0.394 18411 1126 1 2 . 1 1 53 53 PRO CA C 53 65.708 65.708 65.498 0.210 18411 1127 1 2 . 1 1 53 53 PRO CB C 53 31.570 31.570 31.225 0.345 18411 1128 1 2 . 1 1 54 54 PHE N N 54 116.067 116.067 117.983 -1.916 18411 1129 1 2 . 1 1 54 54 PHE HA H 54 4.372 4.372 4.118 0.254 18411 1130 1 2 . 1 1 54 54 PHE C C 54 178.283 178.283 178.127 0.156 18411 1131 1 2 . 1 1 54 54 PHE CA C 54 61.249 61.249 62.460 -1.211 18411 1132 1 2 . 1 1 54 54 PHE CB C 54 38.366 38.366 38.200 0.166 18411 1133 1 2 . 1 1 54 54 PHE H H 54 7.251 7.251 7.650 -0.399 18411 1134 1 2 . 1 1 55 55 ILE N N 55 122.051 122.051 120.544 1.507 18411 1135 1 2 . 1 1 55 55 ILE HA H 55 3.746 3.746 3.864 -0.118 18411 1136 1 2 . 1 1 55 55 ILE C C 55 179.005 179.005 178.073 0.932 18411 1137 1 2 . 1 1 55 55 ILE CA C 55 66.678 66.678 66.182 0.496 18411 1138 1 2 . 1 1 55 55 ILE CB C 55 37.449 37.449 37.812 -0.363 18411 1139 1 2 . 1 1 55 55 ILE H H 55 7.935 7.935 8.763 -0.828 18411 1140 1 2 . 1 1 56 56 GLU N N 56 120.941 120.941 118.881 2.060 18411 1141 1 2 . 1 1 56 56 GLU HA H 56 4.578 4.578 4.262 0.316 18411 1142 1 2 . 1 1 56 56 GLU C C 56 177.034 177.034 178.860 -1.826 18411 1143 1 2 . 1 1 56 56 GLU CA C 56 59.607 59.607 59.744 -0.137 18411 1144 1 2 . 1 1 56 56 GLU CB C 56 29.640 29.640 29.222 0.418 18411 1145 1 2 . 1 1 56 56 GLU H H 56 8.657 8.657 8.900 -0.243 18411 1146 1 2 . 1 1 57 57 LYS N N 57 114.712 114.712 120.384 -5.672 18411 1147 1 2 . 1 1 57 57 LYS HA H 57 4.165 4.165 4.093 0.072 18411 1148 1 2 . 1 1 57 57 LYS C C 57 177.831 177.831 178.231 -0.400 18411 1149 1 2 . 1 1 57 57 LYS CA C 57 59.905 59.905 60.053 -0.148 18411 1150 1 2 . 1 1 57 57 LYS CB C 57 33.873 33.873 32.673 1.200 18411 1151 1 2 . 1 1 57 57 LYS H H 57 7.719 7.719 7.799 -0.080 18411 1152 1 2 . 1 1 58 58 ASP N N 58 114.953 114.953 117.500 -2.547 18411 1153 1 2 . 1 1 58 58 ASP HA H 58 4.843 4.843 4.782 0.061 18411 1154 1 2 . 1 1 58 58 ASP C C 58 176.515 176.515 177.794 -1.279 18411 1155 1 2 . 1 1 58 58 ASP CA C 58 56.125 56.125 56.533 -0.408 18411 1156 1 2 . 1 1 58 58 ASP CB C 58 42.087 42.087 42.525 -0.438 18411 1157 1 2 . 1 1 58 58 ASP H H 58 8.783 8.783 8.351 0.432 18411 1158 1 2 . 1 1 59 59 ILE N N 59 115.807 115.807 119.558 -3.751 18411 1159 1 2 . 1 1 59 59 ILE HA H 59 4.268 4.268 4.407 -0.139 18411 1160 1 2 . 1 1 59 59 ILE C C 59 176.369 176.369 177.771 -1.402 18411 1161 1 2 . 1 1 59 59 ILE CA C 59 63.757 63.757 61.601 2.156 18411 1162 1 2 . 1 1 59 59 ILE CB C 59 40.396 40.396 38.629 1.767 18411 1163 1 2 . 1 1 59 59 ILE H H 59 7.455 7.455 8.118 -0.663 18411 1164 1 2 . 1 1 60 60 TRP N N 60 120.937 120.937 122.513 -1.576 18411 1165 1 2 . 1 1 60 60 TRP HA H 60 4.727 4.727 4.413 0.314 18411 1166 1 2 . 1 1 60 60 TRP C C 60 177.428 177.428 178.388 -0.960 18411 1167 1 2 . 1 1 60 60 TRP CA C 60 60.644 60.644 60.749 -0.105 18411 1168 1 2 . 1 1 60 60 TRP CB C 60 30.907 30.907 30.437 0.470 18411 1169 1 2 . 1 1 60 60 TRP H H 60 9.012 9.012 8.667 0.345 18411 1170 1 2 . 1 1 61 61 LEU N N 61 113.624 113.624 118.986 -5.362 18411 1171 1 2 . 1 1 61 61 LEU HA H 61 3.572 3.572 3.726 -0.154 18411 1172 1 2 . 1 1 61 61 LEU C C 61 179.473 179.473 178.299 1.174 18411 1173 1 2 . 1 1 61 61 LEU CA C 61 57.569 57.569 58.213 -0.644 18411 1174 1 2 . 1 1 61 61 LEU CB C 61 41.040 41.040 41.282 -0.242 18411 1175 1 2 . 1 1 61 61 LEU H H 61 9.210 9.210 8.668 0.542 18411 1176 1 2 . 1 1 62 62 LYS N N 62 112.991 112.991 113.931 -0.940 18411 1177 1 2 . 1 1 62 62 LYS HA H 62 3.889 3.889 4.035 -0.146 18411 1178 1 2 . 1 1 62 62 LYS C C 62 178.111 178.111 176.972 1.139 18411 1179 1 2 . 1 1 62 62 LYS CA C 62 56.667 56.667 57.330 -0.663 18411 1180 1 2 . 1 1 62 62 LYS CB C 62 31.651 31.651 32.194 -0.543 18411 1181 1 2 . 1 1 62 62 LYS H H 62 6.216 6.216 8.144 -1.928 18411 1182 1 2 . 1 1 63 63 HIS N N 63 114.656 114.656 114.018 0.638 18411 1183 1 2 . 1 1 63 63 HIS HA H 63 4.943 4.943 4.577 0.366 18411 1184 1 2 . 1 1 63 63 HIS C C 63 177.057 177.057 175.322 1.735 18411 1185 1 2 . 1 1 63 63 HIS CA C 63 56.133 56.133 55.641 0.492 18411 1186 1 2 . 1 1 63 63 HIS CB C 63 33.235 33.235 31.362 1.873 18411 1187 1 2 . 1 1 63 63 HIS H H 63 7.067 7.067 7.523 -0.456 18411 1188 1 2 . 1 1 64 64 LYS N N 64 119.155 119.155 120.087 -0.932 18411 1189 1 2 . 1 1 64 64 LYS HA H 64 3.513 3.513 3.833 -0.320 18411 1190 1 2 . 1 1 64 64 LYS C C 64 177.074 177.074 176.515 0.559 18411 1191 1 2 . 1 1 64 64 LYS CA C 64 59.166 59.166 59.240 -0.074 18411 1192 1 2 . 1 1 64 64 LYS CB C 64 28.740 28.740 31.364 -2.624 18411 1193 1 2 . 1 1 64 64 LYS H H 64 8.114 8.114 7.879 0.235 18411 1194 1 2 . 1 1 65 65 ASP N N 65 117.882 117.882 117.159 0.723 18411 1195 1 2 . 1 1 65 65 ASP HA H 65 4.714 4.714 4.464 0.250 18411 1196 1 2 . 1 1 65 65 ASP C C 65 175.195 175.195 177.760 -2.565 18411 1197 1 2 . 1 1 65 65 ASP CA C 65 54.204 54.204 55.284 -1.080 18411 1198 1 2 . 1 1 65 65 ASP CB C 65 40.564 40.564 40.768 -0.204 18411 1199 1 2 . 1 1 65 65 ASP H H 65 7.963 7.963 8.021 -0.058 18411 1200 1 2 . 1 1 66 66 ASN N N 66 122.091 122.091 117.082 5.009 18411 1201 1 2 . 1 1 66 66 ASN HA H 66 4.659 4.659 4.244 0.415 18411 1202 1 2 . 1 1 66 66 ASN C C 66 176.046 176.046 174.932 1.114 18411 1203 1 2 . 1 1 66 66 ASN CA C 66 52.799 52.799 55.578 -2.779 18411 1204 1 2 . 1 1 66 66 ASN CB C 66 39.054 39.054 37.764 1.290 18411 1205 1 2 . 1 1 66 66 ASN H H 66 8.184 8.184 8.418 -0.234 18411 1206 1 2 . 1 1 67 67 ALA N N 67 128.893 128.893 120.459 8.434 18411 1207 1 2 . 1 1 67 67 ALA HA H 67 4.295 4.295 4.304 -0.009 18411 1208 1 2 . 1 1 67 67 ALA C C 67 177.886 177.886 176.125 1.761 18411 1209 1 2 . 1 1 67 67 ALA CA C 67 54.049 54.049 52.536 1.513 18411 1210 1 2 . 1 1 67 67 ALA CB C 67 18.549 18.549 20.520 -1.971 18411 1211 1 2 . 1 1 67 67 ALA H H 67 8.806 8.806 8.380 0.426 18411 1212 1 2 . 1 1 68 68 ASP N N 68 116.612 116.612 117.375 -0.763 18411 1213 1 2 . 1 1 68 68 ASP HA H 68 4.823 4.823 4.806 0.017 18411 1214 1 2 . 1 1 68 68 ASP C C 68 173.310 173.310 174.687 -1.377 18411 1215 1 2 . 1 1 68 68 ASP CA C 68 54.202 54.202 53.680 0.522 18411 1216 1 2 . 1 1 68 68 ASP CB C 68 40.892 40.892 41.865 -0.973 18411 1217 1 2 . 1 1 68 68 ASP H H 68 8.759 8.759 8.109 0.650 18411 1218 1 2 . 1 1 69 69 PHE N N 69 119.640 119.640 123.463 -3.823 18411 1219 1 2 . 1 1 69 69 PHE HA H 69 5.741 5.741 5.058 0.683 18411 1220 1 2 . 1 1 69 69 PHE C C 69 173.860 173.860 173.841 0.019 18411 1221 1 2 . 1 1 69 69 PHE CA C 69 56.192 56.192 57.135 -0.943 18411 1222 1 2 . 1 1 69 69 PHE CB C 69 43.496 43.496 40.945 2.551 18411 1223 1 2 . 1 1 69 69 PHE H H 69 7.912 7.912 7.708 0.204 18411 1224 1 2 . 1 1 70 70 ALA N N 70 130.226 130.226 132.930 -2.704 18411 1225 1 2 . 1 1 70 70 ALA HA H 70 4.321 4.321 4.738 -0.417 18411 1226 1 2 . 1 1 70 70 ALA C C 70 171.945 171.945 174.712 -2.767 18411 1227 1 2 . 1 1 70 70 ALA CA C 70 51.573 51.573 50.507 1.066 18411 1228 1 2 . 1 1 70 70 ALA CB C 70 23.273 23.273 20.994 2.279 18411 1229 1 2 . 1 1 70 70 ALA H H 70 8.298 8.298 8.787 -0.489 18411 1230 1 2 . 1 1 71 71 LEU N N 71 122.090 122.090 126.605 -4.515 18411 1231 1 2 . 1 1 71 71 LEU HA H 71 5.120 5.120 4.912 0.208 18411 1232 1 2 . 1 1 71 71 LEU C C 71 174.836 174.836 175.327 -0.491 18411 1233 1 2 . 1 1 71 71 LEU CA C 71 53.348 53.348 53.833 -0.485 18411 1234 1 2 . 1 1 71 71 LEU CB C 71 46.617 46.617 44.092 2.525 18411 1235 1 2 . 1 1 71 71 LEU H H 71 7.217 7.217 8.754 -1.537 18411 1236 1 2 . 1 1 72 72 ILE N N 72 123.189 123.189 125.601 -2.412 18411 1237 1 2 . 1 1 72 72 ILE HA H 72 4.336 4.336 4.469 -0.133 18411 1238 1 2 . 1 1 72 72 ILE C C 72 175.377 175.377 174.940 0.437 18411 1239 1 2 . 1 1 72 72 ILE CA C 72 60.236 60.236 58.697 1.539 18411 1240 1 2 . 1 1 72 72 ILE CB C 72 42.355 42.355 40.478 1.877 18411 1241 1 2 . 1 1 72 72 ILE H H 72 8.211 8.211 8.812 -0.601 18411 1242 1 2 . 1 1 73 73 GLY N N 73 114.189 114.189 114.765 -0.576 18411 1243 1 2 . 1 1 73 73 GLY C C 73 172.626 172.626 172.692 -0.066 18411 1244 1 2 . 1 1 73 73 GLY CA C 73 44.213 44.213 43.901 0.312 18411 1245 1 2 . 1 1 73 73 GLY H H 73 9.202 9.202 8.654 0.548 18411 1246 1 2 . 1 1 74 74 ILE N N 74 126.577 126.577 125.776 0.801 18411 1247 1 2 . 1 1 74 74 ILE HA H 74 3.873 3.873 4.762 -0.889 18411 1248 1 2 . 1 1 74 74 ILE C C 74 174.792 174.792 174.761 0.031 18411 1249 1 2 . 1 1 74 74 ILE CA C 74 61.660 61.660 60.139 1.521 18411 1250 1 2 . 1 1 74 74 ILE CB C 74 37.394 37.394 40.095 -2.701 18411 1251 1 2 . 1 1 74 74 ILE H H 74 9.279 9.279 9.194 0.085 18411 1252 1 2 . 1 1 75 75 ASP N N 75 129.040 129.040 128.631 0.409 18411 1253 1 2 . 1 1 75 75 ASP HA H 75 5.213 5.213 5.109 0.104 18411 1254 1 2 . 1 1 75 75 ASP C C 75 175.696 175.696 176.847 -1.151 18411 1255 1 2 . 1 1 75 75 ASP CA C 75 52.425 52.425 55.373 -2.949 18411 1256 1 2 . 1 1 75 75 ASP CB C 75 41.673 41.673 41.671 0.002 18411 1257 1 2 . 1 1 75 75 ASP H H 75 8.592 8.592 8.902 -0.310 18411 1258 1 2 . 1 1 76 76 ARG N N 76 128.762 128.762 126.289 2.473 18411 1259 1 2 . 1 1 76 76 ARG HA H 76 4.346 4.346 3.970 0.376 18411 1260 1 2 . 1 1 76 76 ARG C C 76 174.562 174.562 175.641 -1.079 18411 1261 1 2 . 1 1 76 76 ARG CA C 76 58.885 58.885 60.380 -1.495 18411 1262 1 2 . 1 1 76 76 ARG CB C 76 32.732 32.732 30.521 2.211 18411 1263 1 2 . 1 1 76 76 ARG H H 76 8.842 8.842 8.886 -0.045 18411 1264 1 2 . 1 1 77 77 ASP N N 77 128.451 128.451 112.882 15.569 18411 1265 1 2 . 1 1 77 77 ASP HA H 77 4.473 4.473 5.120 -0.647 18411 1266 1 2 . 1 1 77 77 ASP C C 77 173.969 173.969 175.611 -1.642 18411 1267 1 2 . 1 1 77 77 ASP CA C 77 56.139 56.139 52.653 3.486 18411 1268 1 2 . 1 1 77 77 ASP CB C 77 42.541 42.541 41.278 1.263 18411 1269 1 2 . 1 1 77 77 ASP H H 77 8.256 8.256 8.468 -0.212 18411 1270 1 2 . 1 1 78 78 GLU N N 78 114.796 114.796 121.211 -6.415 18411 1271 1 2 . 1 1 78 78 GLU HA H 78 5.060 5.060 4.540 0.520 18411 1272 1 2 . 1 1 78 78 GLU C C 78 174.225 174.225 174.936 -0.711 18411 1273 1 2 . 1 1 78 78 GLU CA C 78 54.220 54.220 54.784 -0.564 18411 1274 1 2 . 1 1 78 78 GLU CB C 78 32.842 32.842 28.884 3.958 18411 1275 1 2 . 1 1 78 78 GLU H H 78 8.010 8.010 8.433 -0.423 18411 1276 1 2 . 1 1 79 79 PRO HA H 79 4.579 4.579 4.413 0.166 18411 1277 1 2 . 1 1 79 79 PRO C C 79 177.508 177.508 177.845 -0.337 18411 1278 1 2 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.300 -0.233 18411 1279 1 2 . 1 1 79 79 PRO CB C 79 33.096 33.096 32.607 0.489 18411 1280 1 2 . 1 1 80 80 LEU N N 80 122.209 122.209 122.776 -0.567 18411 1281 1 2 . 1 1 80 80 LEU HA H 80 3.927 3.927 4.006 -0.079 18411 1282 1 2 . 1 1 80 80 LEU C C 80 177.847 177.847 178.347 -0.500 18411 1283 1 2 . 1 1 80 80 LEU CA C 80 59.188 59.188 59.219 -0.031 18411 1284 1 2 . 1 1 80 80 LEU CB C 80 42.001 42.001 41.244 0.757 18411 1285 1 2 . 1 1 80 80 LEU H H 80 8.943 8.943 8.541 0.402 18411 1286 1 2 . 1 1 81 81 GLU N N 81 115.361 115.361 116.889 -1.528 18411 1287 1 2 . 1 1 81 81 GLU HA H 81 3.999 3.999 4.094 -0.095 18411 1288 1 2 . 1 1 81 81 GLU C C 81 180.044 180.044 178.924 1.120 18411 1289 1 2 . 1 1 81 81 GLU CA C 81 60.552 60.552 59.132 1.420 18411 1290 1 2 . 1 1 81 81 GLU CB C 81 28.723 28.723 28.317 0.406 18411 1291 1 2 . 1 1 81 81 GLU H H 81 9.534 9.534 8.909 0.625 18411 1292 1 2 . 1 1 82 82 LYS N N 82 118.582 118.582 120.038 -1.456 18411 1293 1 2 . 1 1 82 82 LYS HA H 82 4.183 4.183 4.144 0.039 18411 1294 1 2 . 1 1 82 82 LYS C C 82 179.226 179.226 178.883 0.343 18411 1295 1 2 . 1 1 82 82 LYS CA C 82 58.248 58.248 58.648 -0.400 18411 1296 1 2 . 1 1 82 82 LYS CB C 82 32.912 32.912 31.778 1.134 18411 1297 1 2 . 1 1 82 82 LYS H H 82 7.332 7.332 7.471 -0.139 18411 1298 1 2 . 1 1 83 83 VAL N N 83 122.971 122.971 120.501 2.470 18411 1299 1 2 . 1 1 83 83 VAL HA H 83 3.554 3.554 3.767 -0.213 18411 1300 1 2 . 1 1 83 83 VAL C C 83 178.331 178.331 178.523 -0.192 18411 1301 1 2 . 1 1 83 83 VAL CA C 83 67.063 67.063 66.248 0.815 18411 1302 1 2 . 1 1 83 83 VAL CB C 83 31.497 31.497 30.992 0.504 18411 1303 1 2 . 1 1 83 83 VAL H H 83 7.743 7.743 7.837 -0.094 18411 1304 1 2 . 1 1 84 84 LEU N N 84 119.209 119.209 119.733 -0.524 18411 1305 1 2 . 1 1 84 84 LEU HA H 84 4.030 4.030 4.048 -0.018 18411 1306 1 2 . 1 1 84 84 LEU C C 84 180.647 180.647 179.234 1.413 18411 1307 1 2 . 1 1 84 84 LEU CA C 84 57.975 57.975 57.704 0.271 18411 1308 1 2 . 1 1 84 84 LEU CB C 84 42.010 42.010 40.138 1.872 18411 1309 1 2 . 1 1 84 84 LEU H H 84 8.706 8.706 7.898 0.808 18411 1310 1 2 . 1 1 85 85 ALA N N 85 120.801 120.801 122.092 -1.291 18411 1311 1 2 . 1 1 85 85 ALA HA H 85 4.198 4.198 4.084 0.114 18411 1312 1 2 . 1 1 85 85 ALA C C 85 180.253 180.253 178.988 1.265 18411 1313 1 2 . 1 1 85 85 ALA CA C 85 54.947 54.947 54.940 0.007 18411 1314 1 2 . 1 1 85 85 ALA CB C 85 17.973 17.973 18.444 -0.471 18411 1315 1 2 . 1 1 85 85 ALA H H 85 7.440 7.440 8.090 -0.650 18411 1316 1 2 . 1 1 86 86 PHE N N 86 123.035 123.035 119.831 3.204 18411 1317 1 2 . 1 1 86 86 PHE HA H 86 4.905 4.905 4.174 0.731 18411 1318 1 2 . 1 1 86 86 PHE C C 86 179.015 179.015 177.437 1.578 18411 1319 1 2 . 1 1 86 86 PHE CA C 86 56.648 56.648 60.814 -4.166 18411 1320 1 2 . 1 1 86 86 PHE CB C 86 39.249 39.249 39.472 -0.223 18411 1321 1 2 . 1 1 86 86 PHE H H 86 8.040 8.040 8.307 -0.267 18411 1322 1 2 . 1 1 87 87 ALA N N 87 123.932 123.932 123.196 0.736 18411 1323 1 2 . 1 1 87 87 ALA HA H 87 3.480 3.480 3.845 -0.365 18411 1324 1 2 . 1 1 87 87 ALA C C 87 179.800 179.800 178.650 1.150 18411 1325 1 2 . 1 1 87 87 ALA CA C 87 55.183 55.183 55.093 0.090 18411 1326 1 2 . 1 1 87 87 ALA CB C 87 17.602 17.602 18.482 -0.880 18411 1327 1 2 . 1 1 87 87 ALA H H 87 8.453 8.453 8.523 -0.070 18411 1328 1 2 . 1 1 88 88 LYS N N 88 116.535 116.535 115.519 1.016 18411 1329 1 2 . 1 1 88 88 LYS HA H 88 4.030 4.030 4.001 0.029 18411 1330 1 2 . 1 1 88 88 LYS C C 88 179.562 179.562 177.895 1.667 18411 1331 1 2 . 1 1 88 88 LYS CA C 88 59.063 59.063 58.397 0.666 18411 1332 1 2 . 1 1 88 88 LYS CB C 88 32.466 32.466 32.066 0.401 18411 1333 1 2 . 1 1 88 88 LYS H H 88 7.664 7.664 7.797 -0.133 18411 1334 1 2 . 1 1 89 89 SER N N 89 113.619 113.619 113.382 0.237 18411 1335 1 2 . 1 1 89 89 SER HA H 89 4.271 4.271 4.480 -0.209 18411 1336 1 2 . 1 1 89 89 SER C C 89 177.004 177.004 174.397 2.607 18411 1337 1 2 . 1 1 89 89 SER CA C 89 61.139 61.139 59.605 1.534 18411 1338 1 2 . 1 1 89 89 SER CB C 89 63.327 63.327 63.535 -0.208 18411 1339 1 2 . 1 1 89 89 SER H H 89 8.417 8.417 7.780 0.637 18411 1340 1 2 . 1 1 90 90 THR N N 90 109.601 109.601 110.394 -0.793 18411 1341 1 2 . 1 1 90 90 THR HA H 90 4.287 4.287 4.403 -0.116 18411 1342 1 2 . 1 1 90 90 THR C C 90 176.074 176.074 175.543 0.531 18411 1343 1 2 . 1 1 90 90 THR CA C 90 62.926 62.926 61.368 1.558 18411 1344 1 2 . 1 1 90 90 THR CB C 90 70.563 70.563 70.828 -0.265 18411 1345 1 2 . 1 1 90 90 THR H H 90 7.710 7.710 7.540 0.170 18411 1346 1 2 . 1 1 91 91 GLY N N 91 110.243 110.243 111.600 -1.357 18411 1347 1 2 . 1 1 91 91 GLY C C 91 174.815 174.815 173.582 1.233 18411 1348 1 2 . 1 1 91 91 GLY CA C 91 46.042 46.042 44.849 1.193 18411 1349 1 2 . 1 1 91 91 GLY H H 91 7.609 7.609 8.136 -0.527 18411 1350 1 2 . 1 1 92 92 VAL N N 92 112.099 112.099 121.588 -9.489 18411 1351 1 2 . 1 1 92 92 VAL HA H 92 4.309 4.309 3.595 0.714 18411 1352 1 2 . 1 1 92 92 VAL C C 92 178.372 178.372 175.358 3.014 18411 1353 1 2 . 1 1 92 92 VAL CA C 92 60.696 60.696 63.238 -2.542 18411 1354 1 2 . 1 1 92 92 VAL CB C 92 32.337 32.337 29.551 2.786 18411 1355 1 2 . 1 1 92 92 VAL H H 92 7.046 7.046 8.473 -1.427 18411 1356 1 2 . 1 1 93 93 THR N N 93 114.289 114.289 117.746 -3.457 18411 1357 1 2 . 1 1 93 93 THR HA H 93 4.457 4.457 4.186 0.271 18411 1358 1 2 . 1 1 93 93 THR C C 93 175.115 175.115 173.804 1.311 18411 1359 1 2 . 1 1 93 93 THR CA C 93 61.280 61.280 63.845 -2.565 18411 1360 1 2 . 1 1 93 93 THR CB C 93 70.314 70.314 69.428 0.886 18411 1361 1 2 . 1 1 93 93 THR H H 93 10.844 10.844 8.743 2.101 18411 1362 1 2 . 1 1 94 94 TYR N N 94 122.050 122.050 119.603 2.447 18411 1363 1 2 . 1 1 94 94 TYR HA H 94 3.740 3.740 4.082 -0.342 18411 1364 1 2 . 1 1 94 94 TYR C C 94 171.563 171.563 172.974 -1.411 18411 1365 1 2 . 1 1 94 94 TYR CA C 94 53.080 53.080 52.742 0.338 18411 1366 1 2 . 1 1 94 94 TYR CB C 94 34.195 34.195 36.621 -2.426 18411 1367 1 2 . 1 1 94 94 TYR H H 94 6.391 6.391 6.972 -0.581 18411 1368 1 2 . 1 1 95 95 PRO HA H 95 4.105 4.105 4.289 -0.184 18411 1369 1 2 . 1 1 95 95 PRO C C 95 175.152 175.152 175.503 -0.351 18411 1370 1 2 . 1 1 95 95 PRO CA C 95 63.799 63.799 62.789 1.010 18411 1371 1 2 . 1 1 95 95 PRO CB C 95 32.919 32.919 32.281 0.638 18411 1372 1 2 . 1 1 96 96 LEU N N 96 122.325 122.325 123.093 -0.768 18411 1373 1 2 . 1 1 96 96 LEU HA H 96 5.143 5.143 4.945 0.198 18411 1374 1 2 . 1 1 96 96 LEU C C 96 176.072 176.072 176.523 -0.451 18411 1375 1 2 . 1 1 96 96 LEU CA C 96 52.794 52.794 53.592 -0.798 18411 1376 1 2 . 1 1 96 96 LEU CB C 96 45.567 45.567 44.913 0.654 18411 1377 1 2 . 1 1 96 96 LEU H H 96 8.256 8.256 8.411 -0.155 18411 1378 1 2 . 1 1 97 97 GLY N N 97 107.295 107.295 107.859 -0.564 18411 1379 1 2 . 1 1 97 97 GLY C C 97 171.546 171.546 172.317 -0.771 18411 1380 1 2 . 1 1 97 97 GLY CA C 97 44.069 44.069 43.782 0.287 18411 1381 1 2 . 1 1 97 97 GLY H H 97 9.177 9.177 9.088 0.089 18411 1382 1 2 . 1 1 98 98 LEU N N 98 118.550 118.550 118.463 0.087 18411 1383 1 2 . 1 1 98 98 LEU HA H 98 4.872 4.872 4.840 0.032 18411 1384 1 2 . 1 1 98 98 LEU C C 98 176.132 176.132 174.890 1.242 18411 1385 1 2 . 1 1 98 98 LEU CA C 98 54.460 54.460 53.619 0.841 18411 1386 1 2 . 1 1 98 98 LEU CB C 98 43.567 43.567 43.440 0.127 18411 1387 1 2 . 1 1 98 98 LEU H H 98 8.106 8.106 8.512 -0.406 18411 1388 1 2 . 1 1 99 99 ASP N N 99 118.061 118.061 123.616 -5.555 18411 1389 1 2 . 1 1 99 99 ASP HA H 99 5.403 5.403 5.039 0.364 18411 1390 1 2 . 1 1 99 99 ASP C C 99 175.069 175.069 174.519 0.550 18411 1391 1 2 . 1 1 99 99 ASP CA C 99 51.057 51.057 50.340 0.717 18411 1392 1 2 . 1 1 99 99 ASP CB C 99 42.069 42.069 42.238 -0.169 18411 1393 1 2 . 1 1 99 99 ASP H H 99 8.481 8.481 8.431 0.050 18411 1394 1 2 . 1 1 100 100 PRO HA H 100 4.564 4.564 4.379 0.185 18411 1395 1 2 . 1 1 100 100 PRO C C 100 179.600 179.600 176.890 2.710 18411 1396 1 2 . 1 1 100 100 PRO CA C 100 64.020 64.020 63.191 0.829 18411 1397 1 2 . 1 1 100 100 PRO CB C 100 31.455 31.455 30.142 1.312 18411 1398 1 2 . 1 1 101 101 GLY N N 101 114.780 114.780 110.850 3.930 18411 1399 1 2 . 1 1 101 101 GLY C C 101 173.600 173.600 173.591 0.009 18411 1400 1 2 . 1 1 101 101 GLY CA C 101 46.175 46.175 45.622 0.553 18411 1401 1 2 . 1 1 101 101 GLY H H 101 9.045 9.045 8.338 0.707 18411 1402 1 2 . 1 1 102 102 ALA N N 102 117.089 117.089 121.926 -4.837 18411 1403 1 2 . 1 1 102 102 ALA HA H 102 4.376 4.376 4.224 0.152 18411 1404 1 2 . 1 1 102 102 ALA C C 102 175.955 175.955 177.102 -1.147 18411 1405 1 2 . 1 1 102 102 ALA CA C 102 52.693 52.693 53.006 -0.313 18411 1406 1 2 . 1 1 102 102 ALA CB C 102 18.256 18.256 17.304 0.952 18411 1407 1 2 . 1 1 102 102 ALA H H 102 8.257 8.257 7.947 0.310 18411 1408 1 2 . 1 1 103 103 ASP N N 103 118.691 118.691 118.599 0.092 18411 1409 1 2 . 1 1 103 103 ASP HA H 103 4.444 4.444 4.562 -0.118 18411 1410 1 2 . 1 1 103 103 ASP C C 103 179.021 179.021 177.551 1.470 18411 1411 1 2 . 1 1 103 103 ASP CA C 103 57.935 57.935 56.714 1.221 18411 1412 1 2 . 1 1 103 103 ASP CB C 103 41.368 41.368 41.670 -0.303 18411 1413 1 2 . 1 1 103 103 ASP H H 103 6.739 6.739 8.018 -1.279 18411 1414 1 2 . 1 1 104 104 ILE N N 104 126.075 126.075 119.678 6.397 18411 1415 1 2 . 1 1 104 104 ILE HA H 104 3.682 3.682 3.841 -0.159 18411 1416 1 2 . 1 1 104 104 ILE C C 104 179.321 179.321 177.665 1.656 18411 1417 1 2 . 1 1 104 104 ILE CA C 104 66.522 66.522 62.331 4.191 18411 1418 1 2 . 1 1 104 104 ILE CB C 104 36.754 36.754 36.825 -0.071 18411 1419 1 2 . 1 1 104 104 ILE H H 104 11.476 11.476 7.742 3.734 18411 1420 1 2 . 1 1 105 105 PHE N N 105 124.513 124.513 119.823 4.690 18411 1421 1 2 . 1 1 105 105 PHE HA H 105 3.646 3.646 3.923 -0.277 18411 1422 1 2 . 1 1 105 105 PHE C C 105 177.818 177.818 176.424 1.394 18411 1423 1 2 . 1 1 105 105 PHE CA C 105 62.948 62.948 61.137 1.811 18411 1424 1 2 . 1 1 105 105 PHE CB C 105 38.350 38.350 39.514 -1.164 18411 1425 1 2 . 1 1 105 105 PHE H H 105 9.473 9.473 8.873 0.600 18411 1426 1 2 . 1 1 106 106 ALA N N 106 115.835 115.835 119.899 -4.064 18411 1427 1 2 . 1 1 106 106 ALA HA H 106 4.927 4.927 4.672 0.255 18411 1428 1 2 . 1 1 106 106 ALA C C 106 179.271 179.271 178.387 0.884 18411 1429 1 2 . 1 1 106 106 ALA CA C 106 52.672 52.672 53.749 -1.077 18411 1430 1 2 . 1 1 106 106 ALA CB C 106 19.093 19.093 18.574 0.519 18411 1431 1 2 . 1 1 106 106 ALA H H 106 8.418 8.418 7.503 0.915 18411 1432 1 2 . 1 1 107 107 LYS N N 107 116.823 116.823 116.330 0.493 18411 1433 1 2 . 1 1 107 107 LYS HA H 107 4.145 4.145 4.021 0.124 18411 1434 1 2 . 1 1 107 107 LYS C C 107 176.006 176.006 176.692 -0.686 18411 1435 1 2 . 1 1 107 107 LYS CA C 107 57.980 57.980 58.010 -0.030 18411 1436 1 2 . 1 1 107 107 LYS CB C 107 33.041 33.041 32.313 0.728 18411 1437 1 2 . 1 1 107 107 LYS H H 107 8.106 8.106 7.595 0.511 18411 1438 1 2 . 1 1 108 108 TYR N N 108 114.793 114.793 114.572 0.221 18411 1439 1 2 . 1 1 108 108 TYR HA H 108 4.311 4.311 4.463 -0.152 18411 1440 1 2 . 1 1 108 108 TYR C C 108 176.010 176.010 173.864 2.146 18411 1441 1 2 . 1 1 108 108 TYR CA C 108 59.270 59.270 58.322 0.948 18411 1442 1 2 . 1 1 108 108 TYR CB C 108 40.965 40.965 40.688 0.277 18411 1443 1 2 . 1 1 108 108 TYR H H 108 7.811 7.811 7.245 0.566 18411 1444 1 2 . 1 1 109 109 ALA N N 109 125.709 125.709 118.474 7.235 18411 1445 1 2 . 1 1 109 109 ALA HA H 109 4.760 4.760 4.295 0.465 18411 1446 1 2 . 1 1 109 109 ALA C C 109 174.711 174.711 174.766 -0.055 18411 1447 1 2 . 1 1 109 109 ALA CA C 109 50.276 50.276 51.341 -1.065 18411 1448 1 2 . 1 1 109 109 ALA CB C 109 21.924 21.924 20.188 1.736 18411 1449 1 2 . 1 1 109 109 ALA H H 109 8.595 8.595 7.181 1.414 18411 1450 1 2 . 1 1 110 110 LEU N N 110 117.834 117.834 120.099 -2.265 18411 1451 1 2 . 1 1 110 110 LEU HA H 110 4.137 4.137 4.255 -0.118 18411 1452 1 2 . 1 1 110 110 LEU C C 110 179.153 179.153 178.634 0.519 18411 1453 1 2 . 1 1 110 110 LEU CA C 110 55.164 55.164 55.254 -0.090 18411 1454 1 2 . 1 1 110 110 LEU CB C 110 42.292 42.292 42.218 0.075 18411 1455 1 2 . 1 1 110 110 LEU H H 110 7.814 7.814 8.425 -0.611 18411 1456 1 2 . 1 1 111 111 ARG N N 111 119.787 119.787 123.673 -3.886 18411 1457 1 2 . 1 1 111 111 ARG HA H 111 3.916 3.916 4.164 -0.248 18411 1458 1 2 . 1 1 111 111 ARG C C 111 176.962 176.962 177.283 -0.321 18411 1459 1 2 . 1 1 111 111 ARG CA C 111 60.538 60.538 59.955 0.583 18411 1460 1 2 . 1 1 111 111 ARG CB C 111 30.424 30.424 30.317 0.107 18411 1461 1 2 . 1 1 111 111 ARG H H 111 8.655 8.655 8.749 -0.094 18411 1462 1 2 . 1 1 112 112 ASP N N 112 113.338 113.338 117.027 -3.689 18411 1463 1 2 . 1 1 112 112 ASP HA H 112 4.662 4.662 4.694 -0.032 18411 1464 1 2 . 1 1 112 112 ASP C C 112 176.387 176.387 175.543 0.844 18411 1465 1 2 . 1 1 112 112 ASP CA C 112 52.833 52.833 54.022 -1.189 18411 1466 1 2 . 1 1 112 112 ASP CB C 112 40.135 40.135 39.743 0.392 18411 1467 1 2 . 1 1 112 112 ASP H H 112 8.205 8.205 8.446 -0.241 18411 1468 1 2 . 1 1 113 113 ALA N N 113 122.885 122.885 121.065 1.820 18411 1469 1 2 . 1 1 113 113 ALA HA H 113 4.347 4.347 4.524 -0.177 18411 1470 1 2 . 1 1 113 113 ALA C C 113 177.740 177.740 177.101 0.639 18411 1471 1 2 . 1 1 113 113 ALA CA C 113 51.983 51.983 52.291 -0.308 18411 1472 1 2 . 1 1 113 113 ALA CB C 113 20.558 20.558 19.300 1.258 18411 1473 1 2 . 1 1 113 113 ALA H H 113 7.919 7.919 7.497 0.422 18411 1474 1 2 . 1 1 114 114 GLY CA C 114 45.480 45.480 44.563 0.916 18411 1475 1 2 . 1 1 115 115 ILE N N 115 122.165 122.165 121.483 0.682 18411 1476 1 2 . 1 1 115 115 ILE HA H 115 4.119 4.119 4.379 -0.260 18411 1477 1 2 . 1 1 115 115 ILE CA C 115 60.788 60.788 60.065 0.723 18411 1478 1 2 . 1 1 115 115 ILE CB C 115 39.651 39.651 41.172 -1.520 18411 1479 1 2 . 1 1 115 115 ILE H H 115 8.253 8.253 8.252 0.001 18411 1480 1 2 . 1 1 116 116 THR N N 116 110.198 110.198 116.941 -6.743 18411 1481 1 2 . 1 1 116 116 THR HA H 116 4.101 4.101 4.201 -0.100 18411 1482 1 2 . 1 1 116 116 THR CA C 116 62.947 62.947 63.968 -1.021 18411 1483 1 2 . 1 1 116 116 THR CB C 116 69.031 69.031 67.362 1.669 18411 1484 1 2 . 1 1 116 116 THR H H 116 7.033 7.033 8.399 -1.366 18411 1485 1 2 . 1 1 117 117 ARG N N 117 130.624 130.624 123.681 6.943 18411 1486 1 2 . 1 1 117 117 ARG HA H 117 4.997 4.997 5.017 -0.020 18411 1487 1 2 . 1 1 117 117 ARG C C 117 173.296 173.296 174.351 -1.055 18411 1488 1 2 . 1 1 117 117 ARG CA C 117 56.468 56.468 55.442 1.026 18411 1489 1 2 . 1 1 117 117 ARG CB C 117 31.949 31.949 35.770 -3.821 18411 1490 1 2 . 1 1 117 117 ARG H H 117 8.250 8.250 8.331 -0.081 18411 1491 1 2 . 1 1 118 118 ASN N N 118 118.226 118.226 121.123 -2.897 18411 1492 1 2 . 1 1 118 118 ASN HA H 118 6.127 6.127 5.706 0.421 18411 1493 1 2 . 1 1 118 118 ASN C C 118 173.805 173.805 173.526 0.279 18411 1494 1 2 . 1 1 118 118 ASN CA C 118 51.759 51.759 52.851 -1.092 18411 1495 1 2 . 1 1 118 118 ASN CB C 118 41.892 41.892 42.056 -0.164 18411 1496 1 2 . 1 1 118 118 ASN H H 118 7.730 7.730 9.208 -1.478 18411 1497 1 2 . 1 1 119 119 VAL N N 119 120.477 120.477 124.140 -3.663 18411 1498 1 2 . 1 1 119 119 VAL HA H 119 4.766 4.766 5.099 -0.333 18411 1499 1 2 . 1 1 119 119 VAL C C 119 173.809 173.809 174.176 -0.367 18411 1500 1 2 . 1 1 119 119 VAL CA C 119 60.808 60.808 61.124 -0.316 18411 1501 1 2 . 1 1 119 119 VAL CB C 119 35.887 35.887 34.400 1.487 18411 1502 1 2 . 1 1 119 119 VAL H H 119 9.269 9.269 9.211 0.058 18411 1503 1 2 . 1 1 120 120 LEU N N 120 128.017 128.017 129.722 -1.705 18411 1504 1 2 . 1 1 120 120 LEU HA H 120 5.350 5.350 5.209 0.141 18411 1505 1 2 . 1 1 120 120 LEU C C 120 174.606 174.606 174.787 -0.181 18411 1506 1 2 . 1 1 120 120 LEU CA C 120 53.563 53.563 53.567 -0.004 18411 1507 1 2 . 1 1 120 120 LEU CB C 120 46.211 46.211 45.658 0.553 18411 1508 1 2 . 1 1 120 120 LEU H H 120 8.829 8.829 8.406 0.423 18411 1509 1 2 . 1 1 121 121 ILE N N 121 131.629 131.629 125.909 5.720 18411 1510 1 2 . 1 1 121 121 ILE HA H 121 4.799 4.799 5.078 -0.279 18411 1511 1 2 . 1 1 121 121 ILE C C 121 174.731 174.731 176.067 -1.336 18411 1512 1 2 . 1 1 121 121 ILE CA C 121 60.450 60.450 57.331 3.119 18411 1513 1 2 . 1 1 121 121 ILE CB C 121 41.651 41.651 39.287 2.364 18411 1514 1 2 . 1 1 121 121 ILE H H 121 9.659 9.659 9.274 0.385 18411 1515 1 2 . 1 1 122 122 ASP N N 122 124.197 124.197 125.779 -1.582 18411 1516 1 2 . 1 1 122 122 ASP HA H 122 4.513 4.513 4.916 -0.403 18411 1517 1 2 . 1 1 122 122 ASP C C 122 177.586 177.586 177.846 -0.260 18411 1518 1 2 . 1 1 122 122 ASP CA C 122 52.442 52.442 52.770 -0.327 18411 1519 1 2 . 1 1 122 122 ASP CB C 122 41.476 41.476 41.747 -0.271 18411 1520 1 2 . 1 1 122 122 ASP H H 122 9.128 9.128 9.012 0.116 18411 1521 1 2 . 1 1 123 123 ARG N N 123 113.396 113.396 118.014 -4.618 18411 1522 1 2 . 1 1 123 123 ARG HA H 123 4.186 4.186 4.175 0.011 18411 1523 1 2 . 1 1 123 123 ARG C C 123 178.717 178.717 178.040 0.677 18411 1524 1 2 . 1 1 123 123 ARG CA C 123 58.243 58.243 59.546 -1.303 18411 1525 1 2 . 1 1 123 123 ARG CB C 123 30.783 30.783 30.266 0.517 18411 1526 1 2 . 1 1 123 123 ARG H H 123 7.870 7.870 8.784 -0.914 18411 1527 1 2 . 1 1 124 124 GLU N N 124 117.427 117.427 117.709 -0.282 18411 1528 1 2 . 1 1 124 124 GLU HA H 124 4.310 4.310 4.253 0.057 18411 1529 1 2 . 1 1 124 124 GLU C C 124 176.034 176.034 177.240 -1.206 18411 1530 1 2 . 1 1 124 124 GLU CA C 124 56.164 56.164 56.963 -0.799 18411 1531 1 2 . 1 1 124 124 GLU CB C 124 30.541 30.541 29.860 0.681 18411 1532 1 2 . 1 1 124 124 GLU H H 124 8.155 8.155 8.097 0.058 18411 1533 1 2 . 1 1 125 125 GLY N N 125 105.681 105.681 106.650 -0.969 18411 1534 1 2 . 1 1 125 125 GLY C C 125 174.204 174.204 173.694 0.510 18411 1535 1 2 . 1 1 125 125 GLY CA C 125 45.160 45.160 44.902 0.258 18411 1536 1 2 . 1 1 125 125 GLY H H 125 8.094 8.094 8.101 -0.007 18411 1537 1 2 . 1 1 126 126 LYS N N 126 122.326 122.326 120.758 1.568 18411 1538 1 2 . 1 1 126 126 LYS HA H 126 4.647 4.647 4.886 -0.239 18411 1539 1 2 . 1 1 126 126 LYS C C 126 176.390 176.390 175.557 0.833 18411 1540 1 2 . 1 1 126 126 LYS CA C 126 55.393 55.393 55.277 0.116 18411 1541 1 2 . 1 1 126 126 LYS CB C 126 33.569 33.569 34.829 -1.260 18411 1542 1 2 . 1 1 126 126 LYS H H 126 8.502 8.502 8.394 0.108 18411 1543 1 2 . 1 1 127 127 ILE N N 127 121.946 121.946 121.145 0.801 18411 1544 1 2 . 1 1 127 127 ILE HA H 127 4.048 4.048 4.585 -0.537 18411 1545 1 2 . 1 1 127 127 ILE C C 127 177.735 177.735 176.235 1.500 18411 1546 1 2 . 1 1 127 127 ILE CA C 127 63.200 63.200 61.813 1.387 18411 1547 1 2 . 1 1 127 127 ILE CB C 127 38.106 38.106 38.402 -0.296 18411 1548 1 2 . 1 1 127 127 ILE H H 127 8.739 8.739 8.988 -0.249 18411 1549 1 2 . 1 1 128 128 VAL N N 128 122.026 122.026 123.144 -1.118 18411 1550 1 2 . 1 1 128 128 VAL HA H 128 4.695 4.695 4.394 0.301 18411 1551 1 2 . 1 1 128 128 VAL C C 128 175.968 175.968 175.179 0.789 18411 1552 1 2 . 1 1 128 128 VAL CA C 128 61.535 61.535 61.593 -0.058 18411 1553 1 2 . 1 1 128 128 VAL CB C 128 33.996 33.996 32.979 1.017 18411 1554 1 2 . 1 1 128 128 VAL H H 128 9.397 9.397 8.876 0.521 18411 1555 1 2 . 1 1 129 129 LYS N N 129 121.635 121.635 121.677 -0.042 18411 1556 1 2 . 1 1 129 129 LYS HA H 129 4.359 4.359 4.602 -0.243 18411 1557 1 2 . 1 1 129 129 LYS C C 129 172.896 172.896 174.514 -1.618 18411 1558 1 2 . 1 1 129 129 LYS CA C 129 57.322 57.322 54.795 2.527 18411 1559 1 2 . 1 1 129 129 LYS CB C 129 36.802 36.802 33.737 3.065 18411 1560 1 2 . 1 1 129 129 LYS H H 129 7.708 7.708 7.449 0.259 18411 1561 1 2 . 1 1 130 130 LEU N N 130 126.219 126.219 128.858 -2.639 18411 1562 1 2 . 1 1 130 130 LEU HA H 130 5.140 5.140 4.632 0.508 18411 1563 1 2 . 1 1 130 130 LEU C C 130 176.956 176.956 176.552 0.404 18411 1564 1 2 . 1 1 130 130 LEU CA C 130 53.572 53.572 54.240 -0.668 18411 1565 1 2 . 1 1 130 130 LEU CB C 130 44.700 44.700 42.706 1.994 18411 1566 1 2 . 1 1 130 130 LEU H H 130 8.301 8.301 8.790 -0.489 18411 1567 1 2 . 1 1 131 131 THR N N 131 113.484 113.484 120.615 -7.131 18411 1568 1 2 . 1 1 131 131 THR HA H 131 5.136 5.136 4.692 0.444 18411 1569 1 2 . 1 1 131 131 THR C C 131 175.492 175.492 173.288 2.204 18411 1570 1 2 . 1 1 131 131 THR CA C 131 61.033 61.033 61.402 -0.369 18411 1571 1 2 . 1 1 131 131 THR CB C 131 70.922 70.922 71.941 -1.019 18411 1572 1 2 . 1 1 131 131 THR H H 131 9.298 9.298 8.869 0.429 18411 1573 1 2 . 1 1 132 132 ARG HA H 132 5.150 5.150 5.053 0.097 18411 1574 1 2 . 1 1 132 132 ARG CA C 132 55.585 55.585 54.747 0.838 18411 1575 1 2 . 1 1 132 132 ARG CB C 132 33.035 33.035 32.508 0.527 18411 1576 1 2 . 1 1 133 133 LEU N N 133 118.967 118.967 117.705 1.262 18411 1577 1 2 . 1 1 133 133 LEU HA H 133 4.302 4.302 4.013 0.289 18411 1578 1 2 . 1 1 133 133 LEU CA C 133 56.200 56.200 55.851 0.349 18411 1579 1 2 . 1 1 133 133 LEU CB C 133 41.616 41.616 39.942 1.674 18411 1580 1 2 . 1 1 133 133 LEU H H 133 8.167 8.167 8.780 -0.613 18411 1581 1 2 . 1 1 134 134 TYR N N 134 124.816 124.816 126.371 -1.555 18411 1582 1 2 . 1 1 134 134 TYR HA H 134 4.963 4.963 4.175 0.788 18411 1583 1 2 . 1 1 134 134 TYR CA C 134 57.154 57.154 59.380 -2.226 18411 1584 1 2 . 1 1 134 134 TYR CB C 134 38.948 38.948 38.956 -0.008 18411 1585 1 2 . 1 1 134 134 TYR H H 134 7.805 7.805 8.195 -0.390 18411 1586 1 2 . 1 1 135 135 ASN HA H 135 4.415 4.415 4.581 -0.166 18411 1587 1 2 . 1 1 135 135 ASN CA C 135 51.995 51.995 51.658 0.337 18411 1588 1 2 . 1 1 135 135 ASN CB C 135 40.521 40.521 41.361 -0.840 18411 1589 1 2 . 1 1 136 136 GLU HA H 136 3.694 3.694 3.527 0.167 18411 1590 1 2 . 1 1 136 136 GLU C C 136 178.797 178.797 178.071 0.726 18411 1591 1 2 . 1 1 136 136 GLU CA C 136 61.052 61.052 60.611 0.441 18411 1592 1 2 . 1 1 136 136 GLU CB C 136 29.353 29.353 29.116 0.238 18411 1593 1 2 . 1 1 137 137 GLU N N 137 120.717 120.717 118.186 2.531 18411 1594 1 2 . 1 1 137 137 GLU HA H 137 4.176 4.176 4.107 0.069 18411 1595 1 2 . 1 1 137 137 GLU C C 137 179.707 179.707 179.065 0.642 18411 1596 1 2 . 1 1 137 137 GLU CA C 137 59.800 59.800 59.289 0.511 18411 1597 1 2 . 1 1 137 137 GLU CB C 137 29.284 29.284 29.003 0.281 18411 1598 1 2 . 1 1 137 137 GLU H H 137 8.364 8.364 8.512 -0.148 18411 1599 1 2 . 1 1 138 138 GLU N N 138 122.448 122.448 120.522 1.926 18411 1600 1 2 . 1 1 138 138 GLU HA H 138 4.190 4.190 4.086 0.104 18411 1601 1 2 . 1 1 138 138 GLU C C 138 179.927 179.927 178.316 1.611 18411 1602 1 2 . 1 1 138 138 GLU CA C 138 59.129 59.129 59.008 0.121 18411 1603 1 2 . 1 1 138 138 GLU CB C 138 30.064 30.064 28.729 1.335 18411 1604 1 2 . 1 1 138 138 GLU H H 138 8.448 8.448 8.164 0.284 18411 1605 1 2 . 1 1 139 139 PHE N N 139 122.454 122.454 120.353 2.101 18411 1606 1 2 . 1 1 139 139 PHE HA H 139 4.171 4.171 4.192 -0.021 18411 1607 1 2 . 1 1 139 139 PHE C C 139 177.370 177.370 176.954 0.416 18411 1608 1 2 . 1 1 139 139 PHE CA C 139 62.690 62.690 61.378 1.312 18411 1609 1 2 . 1 1 139 139 PHE CB C 139 39.579 39.579 38.993 0.586 18411 1610 1 2 . 1 1 139 139 PHE H H 139 8.895 8.895 8.268 0.627 18411 1611 1 2 . 1 1 140 140 ALA N N 140 120.155 120.155 121.577 -1.422 18411 1612 1 2 . 1 1 140 140 ALA HA H 140 4.100 4.100 3.835 0.265 18411 1613 1 2 . 1 1 140 140 ALA C C 140 181.270 181.270 179.427 1.843 18411 1614 1 2 . 1 1 140 140 ALA CA C 140 55.203 55.203 55.464 -0.261 18411 1615 1 2 . 1 1 140 140 ALA CB C 140 17.716 17.716 17.881 -0.165 18411 1616 1 2 . 1 1 140 140 ALA H H 140 8.240 8.240 7.909 0.331 18411 1617 1 2 . 1 1 141 141 SER N N 141 114.095 114.095 115.290 -1.195 18411 1618 1 2 . 1 1 141 141 SER HA H 141 4.267 4.267 4.123 0.144 18411 1619 1 2 . 1 1 141 141 SER C C 141 176.895 176.895 176.625 0.270 18411 1620 1 2 . 1 1 141 141 SER CA C 141 61.291 61.291 62.469 -1.178 18411 1621 1 2 . 1 1 141 141 SER CB C 141 62.690 62.690 62.931 -0.241 18411 1622 1 2 . 1 1 141 141 SER H H 141 7.835 7.835 7.838 -0.003 18411 1623 1 2 . 1 1 142 142 LEU N N 142 126.764 126.764 122.963 3.801 18411 1624 1 2 . 1 1 142 142 LEU HA H 142 3.908 3.908 3.849 0.059 18411 1625 1 2 . 1 1 142 142 LEU C C 142 176.876 176.876 178.230 -1.354 18411 1626 1 2 . 1 1 142 142 LEU CA C 142 58.757 58.757 58.055 0.702 18411 1627 1 2 . 1 1 142 142 LEU CB C 142 41.653 41.653 41.776 -0.123 18411 1628 1 2 . 1 1 142 142 LEU H H 142 7.833 7.833 8.347 -0.514 18411 1629 1 2 . 1 1 143 143 VAL N N 143 119.066 119.066 118.845 0.221 18411 1630 1 2 . 1 1 143 143 VAL HA H 143 3.174 3.174 3.430 -0.256 18411 1631 1 2 . 1 1 143 143 VAL C C 143 178.479 178.479 178.466 0.013 18411 1632 1 2 . 1 1 143 143 VAL CA C 143 66.864 66.864 66.462 0.402 18411 1633 1 2 . 1 1 143 143 VAL CB C 143 32.350 32.350 30.666 1.684 18411 1634 1 2 . 1 1 143 143 VAL H H 143 8.010 8.010 8.262 -0.252 18411 1635 1 2 . 1 1 144 144 GLN N N 144 118.170 118.170 118.554 -0.384 18411 1636 1 2 . 1 1 144 144 GLN HA H 144 4.028 4.028 3.953 0.075 18411 1637 1 2 . 1 1 144 144 GLN C C 144 178.335 178.335 178.002 0.333 18411 1638 1 2 . 1 1 144 144 GLN CA C 144 59.591 59.591 58.629 0.962 18411 1639 1 2 . 1 1 144 144 GLN CB C 144 32.906 32.906 28.195 4.711 18411 1640 1 2 . 1 1 144 144 GLN H H 144 7.935 7.935 7.724 0.211 18411 1641 1 2 . 1 1 145 145 GLN N N 145 119.839 119.839 119.890 -0.051 18411 1642 1 2 . 1 1 145 145 GLN HA H 145 4.029 4.029 3.967 0.062 18411 1643 1 2 . 1 1 145 145 GLN C C 145 178.686 178.686 178.497 0.189 18411 1644 1 2 . 1 1 145 145 GLN CA C 145 59.270 59.270 58.995 0.276 18411 1645 1 2 . 1 1 145 145 GLN CB C 145 27.587 27.587 28.619 -1.032 18411 1646 1 2 . 1 1 145 145 GLN H H 145 7.986 7.986 8.066 -0.080 18411 1647 1 2 . 1 1 146 146 ILE N N 146 119.900 119.900 120.075 -0.175 18411 1648 1 2 . 1 1 146 146 ILE HA H 146 3.345 3.345 3.564 -0.219 18411 1649 1 2 . 1 1 146 146 ILE C C 146 177.393 177.393 177.985 -0.592 18411 1650 1 2 . 1 1 146 146 ILE CA C 146 66.902 66.902 64.245 2.657 18411 1651 1 2 . 1 1 146 146 ILE CB C 146 38.281 38.281 36.347 1.934 18411 1652 1 2 . 1 1 146 146 ILE H H 146 8.171 8.171 8.675 -0.504 18411 1653 1 2 . 1 1 147 147 ASN N N 147 116.163 116.163 118.302 -2.139 18411 1654 1 2 . 1 1 147 147 ASN HA H 147 4.196 4.196 4.214 -0.018 18411 1655 1 2 . 1 1 147 147 ASN C C 147 179.035 179.035 178.150 0.885 18411 1656 1 2 . 1 1 147 147 ASN CA C 147 56.348 56.348 56.516 -0.168 18411 1657 1 2 . 1 1 147 147 ASN CB C 147 38.062 38.062 38.146 -0.084 18411 1658 1 2 . 1 1 147 147 ASN H H 147 7.896 7.896 7.863 0.033 18411 1659 1 2 . 1 1 148 148 GLU N N 148 118.645 118.645 120.133 -1.488 18411 1660 1 2 . 1 1 148 148 GLU HA H 148 3.970 3.970 4.200 -0.230 18411 1661 1 2 . 1 1 148 148 GLU C C 148 179.964 179.964 178.488 1.476 18411 1662 1 2 . 1 1 148 148 GLU CA C 148 59.340 59.340 58.326 1.014 18411 1663 1 2 . 1 1 148 148 GLU CB C 148 29.572 29.572 28.908 0.664 18411 1664 1 2 . 1 1 148 148 GLU H H 148 8.311 8.311 7.845 0.466 18411 1665 1 2 . 1 1 149 149 MET N N 149 119.218 119.218 119.433 -0.215 18411 1666 1 2 . 1 1 149 149 MET HA H 149 4.140 4.140 4.289 -0.149 18411 1667 1 2 . 1 1 149 149 MET C C 149 179.419 179.419 177.879 1.540 18411 1668 1 2 . 1 1 149 149 MET CA C 149 59.040 59.040 57.372 1.668 18411 1669 1 2 . 1 1 149 149 MET CB C 149 35.293 35.293 32.231 3.062 18411 1670 1 2 . 1 1 149 149 MET H H 149 8.527 8.527 8.020 0.507 18411 1671 1 2 . 1 1 150 150 LEU N N 150 118.078 118.078 116.572 1.506 18411 1672 1 2 . 1 1 150 150 LEU HA H 150 4.245 4.245 4.264 -0.019 18411 1673 1 2 . 1 1 150 150 LEU C C 150 178.141 178.141 177.968 0.173 18411 1674 1 2 . 1 1 150 150 LEU CA C 150 55.824 55.824 56.264 -0.440 18411 1675 1 2 . 1 1 150 150 LEU CB C 150 41.533 41.533 41.552 -0.019 18411 1676 1 2 . 1 1 150 150 LEU H H 150 7.917 7.917 7.907 0.010 18411 1677 1 2 . 1 1 151 151 LYS N N 151 120.096 120.096 116.988 3.108 18411 1678 1 2 . 1 1 151 151 LYS HA H 151 4.181 4.181 4.363 -0.182 18411 1679 1 2 . 1 1 151 151 LYS C C 151 177.029 177.029 176.904 0.125 18411 1680 1 2 . 1 1 151 151 LYS CA C 151 57.490 57.490 56.084 1.406 18411 1681 1 2 . 1 1 151 151 LYS CB C 151 32.921 32.921 33.576 -0.655 18411 1682 1 2 . 1 1 151 151 LYS H H 151 7.466 7.466 7.164 0.302 18411 1683 1 2 . 1 1 152 152 GLU N N 152 120.188 120.188 119.299 0.889 18411 1684 1 2 . 1 1 152 152 GLU HA H 152 4.264 4.264 3.908 0.356 18411 1685 1 2 . 1 1 152 152 GLU C C 152 177.259 177.259 175.575 1.684 18411 1686 1 2 . 1 1 152 152 GLU CA C 152 57.070 57.070 57.613 -0.543 18411 1687 1 2 . 1 1 152 152 GLU CB C 152 30.385 30.385 28.836 1.549 18411 1688 1 2 . 1 1 152 152 GLU H H 152 7.820 7.820 8.580 -0.760 18411 1689 1 2 . 1 1 153 153 GLY N N 153 109.046 109.046 109.087 -0.041 18411 1690 1 2 . 1 1 153 153 GLY C C 153 174.204 174.204 175.102 -0.898 18411 1691 1 2 . 1 1 153 153 GLY CA C 153 45.327 45.327 45.132 0.195 18411 1692 1 2 . 1 1 153 153 GLY H H 153 8.278 8.278 8.028 0.250 18411 1693 1 2 . 1 1 158 158 HIS HA H 158 4.606 4.606 4.725 -0.119 18411 1694 1 2 . 1 1 158 158 HIS C C 158 174.423 174.423 174.282 0.141 18411 1695 1 2 . 1 1 158 158 HIS CA C 158 56.235 56.235 55.583 0.652 18411 1696 1 2 . 1 1 158 158 HIS CB C 158 31.028 31.028 30.268 0.760 18411 1697 1 3 . 1 1 3 3 LEU HA H 3 3.930 3.930 4.471 -0.541 18411 1698 1 3 . 1 1 3 3 LEU CA C 3 58.669 58.669 54.837 3.833 18411 1699 1 3 . 1 1 3 3 LEU CB C 3 42.010 42.010 42.255 -0.245 18411 1700 1 3 . 1 1 4 4 GLY C C 4 173.604 173.604 173.747 -0.143 18411 1701 1 3 . 1 1 4 4 GLY CA C 4 46.072 46.072 46.158 -0.086 18411 1702 1 3 . 1 1 5 5 TYR N N 5 116.195 116.195 120.323 -4.128 18411 1703 1 3 . 1 1 5 5 TYR HA H 5 4.769 4.769 4.565 0.204 18411 1704 1 3 . 1 1 5 5 TYR C C 5 177.898 177.898 176.712 1.186 18411 1705 1 3 . 1 1 5 5 TYR CA C 5 60.102 60.102 59.537 0.565 18411 1706 1 3 . 1 1 5 5 TYR CB C 5 39.615 39.615 38.463 1.152 18411 1707 1 3 . 1 1 5 5 TYR H H 5 7.849 7.849 7.707 0.142 18411 1708 1 3 . 1 1 6 6 ILE N N 6 115.338 115.338 119.653 -4.315 18411 1709 1 3 . 1 1 6 6 ILE HA H 6 4.514 4.514 4.390 0.124 18411 1710 1 3 . 1 1 6 6 ILE C C 6 175.977 175.977 175.566 0.411 18411 1711 1 3 . 1 1 6 6 ILE CA C 6 61.623 61.623 61.479 0.144 18411 1712 1 3 . 1 1 6 6 ILE CB C 6 38.270 38.270 38.746 -0.476 18411 1713 1 3 . 1 1 6 6 ILE H H 6 8.687 8.687 8.282 0.405 18411 1714 1 3 . 1 1 7 7 VAL N N 7 113.122 113.122 117.407 -4.285 18411 1715 1 3 . 1 1 7 7 VAL HA H 7 4.730 4.730 4.587 0.143 18411 1716 1 3 . 1 1 7 7 VAL C C 7 174.331 174.331 174.941 -0.610 18411 1717 1 3 . 1 1 7 7 VAL CA C 7 58.867 58.867 60.102 -1.236 18411 1718 1 3 . 1 1 7 7 VAL CB C 7 34.475 34.475 34.505 -0.031 18411 1719 1 3 . 1 1 7 7 VAL H H 7 6.845 6.845 7.390 -0.545 18411 1720 1 3 . 1 1 8 8 ARG N N 8 117.597 117.597 123.000 -5.403 18411 1721 1 3 . 1 1 8 8 ARG HA H 8 4.539 4.539 4.629 -0.090 18411 1722 1 3 . 1 1 8 8 ARG C C 8 175.618 175.618 175.805 -0.187 18411 1723 1 3 . 1 1 8 8 ARG CA C 8 53.717 53.717 53.566 0.152 18411 1724 1 3 . 1 1 8 8 ARG CB C 8 34.126 34.126 33.244 0.882 18411 1725 1 3 . 1 1 8 8 ARG H H 8 7.978 7.978 8.884 -0.906 18411 1726 1 3 . 1 1 9 9 ILE N N 9 118.377 118.377 120.889 -2.512 18411 1727 1 3 . 1 1 9 9 ILE HA H 9 3.465 3.465 3.793 -0.328 18411 1728 1 3 . 1 1 9 9 ILE C C 9 177.771 177.771 177.378 0.393 18411 1729 1 3 . 1 1 9 9 ILE CA C 9 62.350 62.350 63.115 -0.765 18411 1730 1 3 . 1 1 9 9 ILE CB C 9 37.049 37.049 37.260 -0.211 18411 1731 1 3 . 1 1 9 9 ILE H H 9 8.085 8.085 8.460 -0.375 18411 1732 1 3 . 1 1 10 10 GLY N N 10 115.204 115.204 115.232 -0.028 18411 1733 1 3 . 1 1 10 10 GLY C C 10 174.235 174.235 174.146 0.089 18411 1734 1 3 . 1 1 10 10 GLY CA C 10 44.763 44.763 44.738 0.025 18411 1735 1 3 . 1 1 10 10 GLY H H 10 9.149 9.149 9.063 0.086 18411 1736 1 3 . 1 1 11 11 GLU N N 11 119.157 119.157 120.532 -1.375 18411 1737 1 3 . 1 1 11 11 GLU HA H 11 4.392 4.392 4.508 -0.116 18411 1738 1 3 . 1 1 11 11 GLU C C 11 176.729 176.729 175.789 0.940 18411 1739 1 3 . 1 1 11 11 GLU CA C 11 55.108 55.108 55.339 -0.231 18411 1740 1 3 . 1 1 11 11 GLU CB C 11 31.473 31.473 30.731 0.742 18411 1741 1 3 . 1 1 11 11 GLU H H 11 7.631 7.631 7.694 -0.063 18411 1742 1 3 . 1 1 12 12 MET N N 12 119.646 119.646 118.544 1.102 18411 1743 1 3 . 1 1 12 12 MET HA H 12 4.593 4.593 4.656 -0.063 18411 1744 1 3 . 1 1 12 12 MET C C 12 177.162 177.162 176.325 0.837 18411 1745 1 3 . 1 1 12 12 MET CA C 12 54.475 54.475 54.621 -0.146 18411 1746 1 3 . 1 1 12 12 MET CB C 12 30.749 30.749 33.914 -3.165 18411 1747 1 3 . 1 1 12 12 MET H H 12 8.566 8.566 8.341 0.225 18411 1748 1 3 . 1 1 13 13 ALA N N 13 129.735 129.735 125.849 3.886 18411 1749 1 3 . 1 1 13 13 ALA HA H 13 4.293 4.293 4.625 -0.332 18411 1750 1 3 . 1 1 13 13 ALA C C 13 175.992 175.992 175.597 0.395 18411 1751 1 3 . 1 1 13 13 ALA CA C 13 50.676 50.676 50.090 0.586 18411 1752 1 3 . 1 1 13 13 ALA CB C 13 18.125 18.125 18.810 -0.685 18411 1753 1 3 . 1 1 13 13 ALA H H 13 8.626 8.626 8.754 -0.128 18411 1754 1 3 . 1 1 14 14 PRO HA H 14 4.253 4.253 4.336 -0.083 18411 1755 1 3 . 1 1 14 14 PRO C C 14 176.066 176.066 175.828 0.238 18411 1756 1 3 . 1 1 14 14 PRO CA C 14 63.478 63.478 62.818 0.660 18411 1757 1 3 . 1 1 14 14 PRO CB C 14 32.987 32.987 31.960 1.027 18411 1758 1 3 . 1 1 15 15 ASP N N 15 123.075 123.075 122.518 0.557 18411 1759 1 3 . 1 1 15 15 ASP HA H 15 4.700 4.700 4.476 0.224 18411 1760 1 3 . 1 1 15 15 ASP C C 15 176.067 176.067 175.691 0.376 18411 1761 1 3 . 1 1 15 15 ASP CA C 15 53.628 53.628 54.739 -1.111 18411 1762 1 3 . 1 1 15 15 ASP CB C 15 41.613 41.613 42.042 -0.430 18411 1763 1 3 . 1 1 15 15 ASP H H 15 8.373 8.373 8.260 0.113 18411 1764 1 3 . 1 1 16 16 PHE N N 16 114.256 114.256 118.432 -4.176 18411 1765 1 3 . 1 1 16 16 PHE HA H 16 4.869 4.869 4.891 -0.022 18411 1766 1 3 . 1 1 16 16 PHE C C 16 173.028 173.028 173.323 -0.295 18411 1767 1 3 . 1 1 16 16 PHE CA C 16 56.721 56.721 56.161 0.560 18411 1768 1 3 . 1 1 16 16 PHE CB C 16 40.560 40.560 41.613 -1.053 18411 1769 1 3 . 1 1 16 16 PHE H H 16 7.950 7.950 7.890 0.060 18411 1770 1 3 . 1 1 17 17 THR N N 17 116.459 116.459 117.214 -0.755 18411 1771 1 3 . 1 1 17 17 THR HA H 17 5.244 5.244 5.234 0.010 18411 1772 1 3 . 1 1 17 17 THR C C 17 172.722 172.722 173.879 -1.157 18411 1773 1 3 . 1 1 17 17 THR CA C 17 62.061 62.061 62.281 -0.220 18411 1774 1 3 . 1 1 17 17 THR CB C 17 70.882 70.882 69.371 1.511 18411 1775 1 3 . 1 1 17 17 THR H H 17 8.596 8.596 8.581 0.015 18411 1776 1 3 . 1 1 18 18 ILE N N 18 128.165 128.165 127.751 0.414 18411 1777 1 3 . 1 1 18 18 ILE HA H 18 4.995 4.995 4.654 0.341 18411 1778 1 3 . 1 1 18 18 ILE C C 18 172.309 172.309 173.825 -1.516 18411 1779 1 3 . 1 1 18 18 ILE CA C 18 59.123 59.123 59.288 -0.166 18411 1780 1 3 . 1 1 18 18 ILE CB C 18 43.984 43.984 41.882 2.102 18411 1781 1 3 . 1 1 18 18 ILE H H 18 9.574 9.574 9.347 0.227 18411 1782 1 3 . 1 1 19 19 THR N N 19 124.473 124.473 124.846 -0.373 18411 1783 1 3 . 1 1 19 19 THR HA H 19 4.821 4.821 4.671 0.150 18411 1784 1 3 . 1 1 19 19 THR C C 19 174.104 174.104 174.217 -0.113 18411 1785 1 3 . 1 1 19 19 THR CA C 19 62.316 62.316 62.321 -0.004 18411 1786 1 3 . 1 1 19 19 THR CB C 19 69.287 69.287 69.137 0.150 18411 1787 1 3 . 1 1 19 19 THR H H 19 9.081 9.081 8.782 0.299 18411 1788 1 3 . 1 1 20 20 LEU N N 20 125.167 125.167 126.957 -1.790 18411 1789 1 3 . 1 1 20 20 LEU HA H 20 5.082 5.082 4.757 0.325 18411 1790 1 3 . 1 1 20 20 LEU C C 20 181.023 181.023 179.344 1.679 18411 1791 1 3 . 1 1 20 20 LEU CA C 20 54.191 54.191 54.557 -0.366 18411 1792 1 3 . 1 1 20 20 LEU CB C 20 42.219 42.219 42.861 -0.642 18411 1793 1 3 . 1 1 20 20 LEU H H 20 9.227 9.227 8.878 0.349 18411 1794 1 3 . 1 1 21 21 THR N N 21 109.887 109.887 113.949 -4.062 18411 1795 1 3 . 1 1 21 21 THR HA H 21 3.831 3.831 4.035 -0.204 18411 1796 1 3 . 1 1 21 21 THR C C 21 174.716 174.716 175.084 -0.368 18411 1797 1 3 . 1 1 21 21 THR CA C 21 64.992 64.992 65.609 -0.617 18411 1798 1 3 . 1 1 21 21 THR CB C 21 68.529 68.529 68.687 -0.158 18411 1799 1 3 . 1 1 21 21 THR H H 21 8.603 8.603 8.663 -0.060 18411 1800 1 3 . 1 1 22 22 ASP N N 22 117.311 117.311 117.803 -0.492 18411 1801 1 3 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.626 -0.032 18411 1802 1 3 . 1 1 22 22 ASP C C 22 177.771 177.771 176.692 1.079 18411 1803 1 3 . 1 1 22 22 ASP CA C 22 53.173 53.173 53.173 -0.000 18411 1804 1 3 . 1 1 22 22 ASP CB C 22 40.449 40.449 39.404 1.045 18411 1805 1 3 . 1 1 22 22 ASP H H 22 7.530 7.530 7.930 -0.400 18411 1806 1 3 . 1 1 23 23 GLY N N 23 108.847 108.847 109.208 -0.361 18411 1807 1 3 . 1 1 23 23 GLY C C 23 174.806 174.806 173.954 0.852 18411 1808 1 3 . 1 1 23 23 GLY CA C 23 45.028 45.028 45.472 -0.444 18411 1809 1 3 . 1 1 23 23 GLY H H 23 8.203 8.203 7.940 0.263 18411 1810 1 3 . 1 1 24 24 LYS N N 24 122.092 122.092 120.656 1.436 18411 1811 1 3 . 1 1 24 24 LYS HA H 24 4.267 4.267 4.514 -0.247 18411 1812 1 3 . 1 1 24 24 LYS C C 24 175.350 175.350 175.733 -0.383 18411 1813 1 3 . 1 1 24 24 LYS CA C 24 57.060 57.060 54.306 2.754 18411 1814 1 3 . 1 1 24 24 LYS CB C 24 33.271 33.271 32.641 0.630 18411 1815 1 3 . 1 1 24 24 LYS H H 24 7.881 7.881 8.100 -0.219 18411 1816 1 3 . 1 1 25 25 GLN N N 25 119.585 119.585 126.164 -6.579 18411 1817 1 3 . 1 1 25 25 GLN HA H 25 5.561 5.561 5.087 0.474 18411 1818 1 3 . 1 1 25 25 GLN C C 25 176.631 176.631 175.996 0.635 18411 1819 1 3 . 1 1 25 25 GLN CA C 25 54.572 54.572 55.575 -1.003 18411 1820 1 3 . 1 1 25 25 GLN CB C 25 31.621 31.621 29.308 2.313 18411 1821 1 3 . 1 1 25 25 GLN H H 25 8.365 8.365 8.827 -0.462 18411 1822 1 3 . 1 1 26 26 VAL N N 26 123.115 123.115 121.168 1.947 18411 1823 1 3 . 1 1 26 26 VAL HA H 26 4.466 4.466 4.648 -0.182 18411 1824 1 3 . 1 1 26 26 VAL C C 26 174.390 174.390 174.082 0.308 18411 1825 1 3 . 1 1 26 26 VAL CA C 26 61.142 61.142 59.390 1.752 18411 1826 1 3 . 1 1 26 26 VAL CB C 26 35.962 35.962 35.044 0.918 18411 1827 1 3 . 1 1 26 26 VAL H H 26 9.069 9.069 9.001 0.068 18411 1828 1 3 . 1 1 27 27 THR N N 27 122.509 122.509 118.255 4.254 18411 1829 1 3 . 1 1 27 27 THR HA H 27 5.437 5.437 5.138 0.299 18411 1830 1 3 . 1 1 27 27 THR C C 27 176.330 176.330 175.906 0.424 18411 1831 1 3 . 1 1 27 27 THR CA C 27 60.068 60.068 60.139 -0.071 18411 1832 1 3 . 1 1 27 27 THR CB C 27 70.655 70.655 71.226 -0.571 18411 1833 1 3 . 1 1 27 27 THR H H 27 8.256 8.256 7.936 0.320 18411 1834 1 3 . 1 1 28 28 LEU N N 28 131.816 131.816 125.080 6.736 18411 1835 1 3 . 1 1 28 28 LEU HA H 28 3.607 3.607 3.728 -0.121 18411 1836 1 3 . 1 1 28 28 LEU C C 28 180.093 180.093 178.337 1.756 18411 1837 1 3 . 1 1 28 28 LEU CA C 28 59.264 59.264 57.876 1.388 18411 1838 1 3 . 1 1 28 28 LEU CB C 28 39.396 39.396 41.732 -2.336 18411 1839 1 3 . 1 1 28 28 LEU H H 28 8.311 8.311 8.680 -0.369 18411 1840 1 3 . 1 1 29 29 SER N N 29 114.727 114.727 114.464 0.263 18411 1841 1 3 . 1 1 29 29 SER HA H 29 4.003 4.003 4.195 -0.192 18411 1842 1 3 . 1 1 29 29 SER C C 29 177.762 177.762 176.321 1.441 18411 1843 1 3 . 1 1 29 29 SER CA C 29 60.896 60.896 61.173 -0.277 18411 1844 1 3 . 1 1 29 29 SER CB C 29 61.091 61.091 62.707 -1.616 18411 1845 1 3 . 1 1 29 29 SER H H 29 9.491 9.491 8.701 0.790 18411 1846 1 3 . 1 1 30 30 SER N N 30 119.100 119.100 116.487 2.613 18411 1847 1 3 . 1 1 30 30 SER HA H 30 4.476 4.476 4.371 0.105 18411 1848 1 3 . 1 1 30 30 SER C C 30 175.104 175.104 174.989 0.115 18411 1849 1 3 . 1 1 30 30 SER CA C 30 60.661 60.661 60.718 -0.057 18411 1850 1 3 . 1 1 30 30 SER CB C 30 63.174 63.174 63.232 -0.058 18411 1851 1 3 . 1 1 30 30 SER H H 30 7.878 7.878 7.852 0.026 18411 1852 1 3 . 1 1 31 31 LEU N N 31 121.415 121.415 119.274 2.141 18411 1853 1 3 . 1 1 31 31 LEU HA H 31 4.258 4.258 4.460 -0.202 18411 1854 1 3 . 1 1 31 31 LEU C C 31 175.710 175.710 175.797 -0.087 18411 1855 1 3 . 1 1 31 31 LEU CA C 31 53.804 53.804 53.752 0.053 18411 1856 1 3 . 1 1 31 31 LEU CB C 31 41.285 41.285 42.816 -1.530 18411 1857 1 3 . 1 1 31 31 LEU H H 31 8.026 8.026 7.662 0.364 18411 1858 1 3 . 1 1 32 32 ARG N N 32 119.061 119.061 119.989 -0.928 18411 1859 1 3 . 1 1 32 32 ARG HA H 32 4.411 4.411 4.079 0.332 18411 1860 1 3 . 1 1 32 32 ARG C C 32 177.585 177.585 177.178 0.407 18411 1861 1 3 . 1 1 32 32 ARG CA C 32 57.590 57.590 57.358 0.232 18411 1862 1 3 . 1 1 32 32 ARG CB C 32 29.497 29.497 29.673 -0.176 18411 1863 1 3 . 1 1 32 32 ARG H H 32 6.788 6.788 7.011 -0.223 18411 1864 1 3 . 1 1 33 33 GLY N N 33 114.033 114.033 112.982 1.051 18411 1865 1 3 . 1 1 33 33 GLY C C 33 173.456 173.456 173.388 0.068 18411 1866 1 3 . 1 1 33 33 GLY CA C 33 44.684 44.684 44.980 -0.296 18411 1867 1 3 . 1 1 33 33 GLY H H 33 9.120 9.120 8.768 0.352 18411 1868 1 3 . 1 1 34 34 LYS N N 34 120.270 120.270 118.847 1.423 18411 1869 1 3 . 1 1 34 34 LYS HA H 34 4.606 4.606 4.906 -0.300 18411 1870 1 3 . 1 1 34 34 LYS C C 34 175.350 175.350 175.799 -0.449 18411 1871 1 3 . 1 1 34 34 LYS CA C 34 54.786 54.786 54.109 0.677 18411 1872 1 3 . 1 1 34 34 LYS CB C 34 34.125 34.125 35.698 -1.573 18411 1873 1 3 . 1 1 34 34 LYS H H 34 8.146 8.146 7.537 0.609 18411 1874 1 3 . 1 1 35 35 VAL N N 35 122.059 122.059 123.876 -1.817 18411 1875 1 3 . 1 1 35 35 VAL HA H 35 4.020 4.020 4.256 -0.236 18411 1876 1 3 . 1 1 35 35 VAL C C 35 174.699 174.699 173.661 1.038 18411 1877 1 3 . 1 1 35 35 VAL CA C 35 63.108 63.108 61.651 1.457 18411 1878 1 3 . 1 1 35 35 VAL CB C 35 33.022 33.022 32.197 0.825 18411 1879 1 3 . 1 1 35 35 VAL H H 35 8.757 8.757 8.736 0.021 18411 1880 1 3 . 1 1 36 36 VAL N N 36 125.815 125.815 129.598 -3.783 18411 1881 1 3 . 1 1 36 36 VAL HA H 36 4.856 4.856 4.723 0.134 18411 1882 1 3 . 1 1 36 36 VAL C C 36 174.622 174.622 174.410 0.212 18411 1883 1 3 . 1 1 36 36 VAL CA C 36 60.078 60.078 60.191 -0.113 18411 1884 1 3 . 1 1 36 36 VAL CB C 36 35.605 35.605 33.510 2.095 18411 1885 1 3 . 1 1 36 36 VAL H H 36 8.485 8.485 8.542 -0.057 18411 1886 1 3 . 1 1 37 37 MET N N 37 126.478 126.478 128.209 -1.731 18411 1887 1 3 . 1 1 37 37 MET HA H 37 5.383 5.383 5.073 0.310 18411 1888 1 3 . 1 1 37 37 MET C C 37 173.473 173.473 173.862 -0.389 18411 1889 1 3 . 1 1 37 37 MET CA C 37 53.661 53.661 54.483 -0.822 18411 1890 1 3 . 1 1 37 37 MET CB C 37 35.948 35.948 34.947 1.001 18411 1891 1 3 . 1 1 37 37 MET H H 37 8.694 8.694 8.722 -0.028 18411 1892 1 3 . 1 1 38 38 LEU N N 38 124.275 124.275 126.903 -2.628 18411 1893 1 3 . 1 1 38 38 LEU HA H 38 5.100 5.100 5.485 -0.385 18411 1894 1 3 . 1 1 38 38 LEU C C 38 175.828 175.828 175.339 0.489 18411 1895 1 3 . 1 1 38 38 LEU CA C 38 52.144 52.144 52.746 -0.602 18411 1896 1 3 . 1 1 38 38 LEU CB C 38 42.898 42.898 44.890 -1.992 18411 1897 1 3 . 1 1 38 38 LEU H H 38 9.181 9.181 9.248 -0.067 18411 1898 1 3 . 1 1 39 39 GLN N N 39 124.390 124.390 118.881 5.509 18411 1899 1 3 . 1 1 39 39 GLN HA H 39 5.369 5.369 4.904 0.465 18411 1900 1 3 . 1 1 39 39 GLN C C 39 175.696 175.696 173.921 1.775 18411 1901 1 3 . 1 1 39 39 GLN CA C 39 54.025 54.025 53.620 0.405 18411 1902 1 3 . 1 1 39 39 GLN CB C 39 28.735 28.735 32.386 -3.651 18411 1903 1 3 . 1 1 39 39 GLN H H 39 8.325 8.325 8.173 0.152 18411 1904 1 3 . 1 1 40 40 PHE N N 40 128.800 128.800 124.047 4.753 18411 1905 1 3 . 1 1 40 40 PHE HA H 40 5.182 5.182 5.790 -0.608 18411 1906 1 3 . 1 1 40 40 PHE C C 40 175.432 175.432 175.859 -0.427 18411 1907 1 3 . 1 1 40 40 PHE CA C 40 59.370 59.370 57.316 2.054 18411 1908 1 3 . 1 1 40 40 PHE CB C 40 39.256 39.256 40.116 -0.860 18411 1909 1 3 . 1 1 40 40 PHE H H 40 8.899 8.899 9.133 -0.234 18411 1910 1 3 . 1 1 41 41 THR N N 41 117.616 117.616 115.904 1.712 18411 1911 1 3 . 1 1 41 41 THR HA H 41 5.274 5.274 4.690 0.584 18411 1912 1 3 . 1 1 41 41 THR C C 41 170.795 170.795 172.151 -1.356 18411 1913 1 3 . 1 1 41 41 THR CA C 41 59.448 59.448 58.821 0.627 18411 1914 1 3 . 1 1 41 41 THR CB C 41 70.892 70.892 71.492 -0.600 18411 1915 1 3 . 1 1 41 41 THR H H 41 8.589 8.589 8.904 -0.315 18411 1916 1 3 . 1 1 42 42 ALA N N 42 122.005 122.005 121.255 0.750 18411 1917 1 3 . 1 1 42 42 ALA HA H 42 4.162 4.162 4.795 -0.633 18411 1918 1 3 . 1 1 42 42 ALA C C 42 177.618 177.618 177.010 0.608 18411 1919 1 3 . 1 1 42 42 ALA CA C 42 52.454 52.454 50.465 1.989 18411 1920 1 3 . 1 1 42 42 ALA CB C 42 20.704 20.704 20.861 -0.157 18411 1921 1 3 . 1 1 42 42 ALA H H 42 7.201 7.201 7.863 -0.662 18411 1922 1 3 . 1 1 43 43 SER N N 43 117.426 117.426 116.204 1.222 18411 1923 1 3 . 1 1 43 43 SER HA H 43 1.542 1.542 3.101 -1.559 18411 1924 1 3 . 1 1 43 43 SER C C 43 174.845 174.845 174.825 0.020 18411 1925 1 3 . 1 1 43 43 SER CA C 43 60.202 60.202 60.939 -0.737 18411 1926 1 3 . 1 1 43 43 SER CB C 43 63.040 63.040 63.332 -0.292 18411 1927 1 3 . 1 1 43 43 SER H H 43 9.472 9.472 8.557 0.915 18411 1928 1 3 . 1 1 44 44 TRP N N 44 116.512 116.512 116.050 0.462 18411 1929 1 3 . 1 1 44 44 TRP HA H 44 4.495 4.495 4.898 -0.403 18411 1930 1 3 . 1 1 44 44 TRP C C 44 176.297 176.297 175.233 1.064 18411 1931 1 3 . 1 1 44 44 TRP CA C 44 53.405 53.405 54.177 -0.772 18411 1932 1 3 . 1 1 44 44 TRP CB C 44 29.450 29.450 28.974 0.476 18411 1933 1 3 . 1 1 44 44 TRP H H 44 6.345 6.345 6.618 -0.273 18411 1934 1 3 . 1 1 45 45 CYS N N 45 125.015 125.015 122.218 2.797 18411 1935 1 3 . 1 1 45 45 CYS HA H 45 4.501 4.501 4.452 0.049 18411 1936 1 3 . 1 1 45 45 CYS C C 45 176.409 176.409 176.172 0.237 18411 1937 1 3 . 1 1 45 45 CYS CA C 45 58.904 58.904 59.224 -0.320 18411 1938 1 3 . 1 1 45 45 CYS CB C 45 28.203 28.203 27.610 0.593 18411 1939 1 3 . 1 1 45 45 CYS H H 45 6.982 6.982 7.302 -0.320 18411 1940 1 3 . 1 1 46 46 GLY CA C 46 47.225 47.225 46.929 0.296 18411 1941 1 3 . 1 1 47 47 VAL HA H 47 3.804 3.804 3.874 -0.070 18411 1942 1 3 . 1 1 47 47 VAL CA C 47 66.661 66.661 64.948 1.713 18411 1943 1 3 . 1 1 47 47 VAL CB C 47 31.506 31.506 31.634 -0.128 18411 1944 1 3 . 1 1 48 48 CYS HA H 48 3.875 3.875 4.568 -0.693 18411 1945 1 3 . 1 1 48 48 CYS C C 48 177.961 177.961 176.575 1.386 18411 1946 1 3 . 1 1 48 48 CYS CA C 48 65.053 65.053 61.048 4.005 18411 1947 1 3 . 1 1 48 48 CYS CB C 48 28.741 28.741 25.687 3.054 18411 1948 1 3 . 1 1 49 49 ARG N N 49 115.039 115.039 119.054 -4.015 18411 1949 1 3 . 1 1 49 49 ARG HA H 49 3.898 3.898 4.016 -0.118 18411 1950 1 3 . 1 1 49 49 ARG C C 49 177.871 177.871 176.540 1.331 18411 1951 1 3 . 1 1 49 49 ARG CA C 49 59.837 59.837 58.486 1.351 18411 1952 1 3 . 1 1 49 49 ARG CB C 49 30.585 30.585 29.720 0.865 18411 1953 1 3 . 1 1 49 49 ARG H H 49 7.658 7.658 7.646 0.012 18411 1954 1 3 . 1 1 50 50 LYS N N 50 117.909 117.909 117.416 0.493 18411 1955 1 3 . 1 1 50 50 LYS HA H 50 4.098 4.098 4.079 0.019 18411 1956 1 3 . 1 1 50 50 LYS C C 50 177.723 177.723 178.146 -0.423 18411 1957 1 3 . 1 1 50 50 LYS CA C 50 58.198 58.198 58.585 -0.387 18411 1958 1 3 . 1 1 50 50 LYS CB C 50 32.803 32.803 32.966 -0.163 18411 1959 1 3 . 1 1 50 50 LYS H H 50 7.385 7.385 7.686 -0.301 18411 1960 1 3 . 1 1 51 51 GLU N N 51 117.196 117.196 119.432 -2.236 18411 1961 1 3 . 1 1 51 51 GLU HA H 51 3.453 3.453 3.663 -0.210 18411 1962 1 3 . 1 1 51 51 GLU C C 51 179.194 179.194 178.996 0.198 18411 1963 1 3 . 1 1 51 51 GLU CA C 51 57.754 57.754 59.064 -1.310 18411 1964 1 3 . 1 1 51 51 GLU CB C 51 29.825 29.825 29.151 0.674 18411 1965 1 3 . 1 1 51 51 GLU H H 51 7.764 7.764 7.550 0.214 18411 1966 1 3 . 1 1 52 52 MET N N 52 118.785 118.785 119.686 -0.901 18411 1967 1 3 . 1 1 52 52 MET HA H 52 3.979 3.979 4.614 -0.635 18411 1968 1 3 . 1 1 52 52 MET C C 52 174.346 174.346 175.729 -1.383 18411 1969 1 3 . 1 1 52 52 MET CA C 52 62.384 62.384 61.358 1.026 18411 1970 1 3 . 1 1 52 52 MET CB C 52 32.805 32.805 30.607 2.199 18411 1971 1 3 . 1 1 52 52 MET H H 52 8.100 8.100 8.496 -0.396 18411 1972 1 3 . 1 1 53 53 PRO HA H 53 4.299 4.299 4.282 0.017 18411 1973 1 3 . 1 1 53 53 PRO C C 53 179.242 179.242 179.488 -0.246 18411 1974 1 3 . 1 1 53 53 PRO CA C 53 65.708 65.708 65.740 -0.032 18411 1975 1 3 . 1 1 53 53 PRO CB C 53 31.570 31.570 31.259 0.311 18411 1976 1 3 . 1 1 54 54 PHE N N 54 116.067 116.067 117.994 -1.927 18411 1977 1 3 . 1 1 54 54 PHE HA H 54 4.372 4.372 4.246 0.126 18411 1978 1 3 . 1 1 54 54 PHE C C 54 178.283 178.283 178.144 0.139 18411 1979 1 3 . 1 1 54 54 PHE CA C 54 61.249 61.249 62.897 -1.648 18411 1980 1 3 . 1 1 54 54 PHE CB C 54 38.366 38.366 38.752 -0.386 18411 1981 1 3 . 1 1 54 54 PHE H H 54 7.251 7.251 7.641 -0.390 18411 1982 1 3 . 1 1 55 55 ILE N N 55 122.051 122.051 120.450 1.601 18411 1983 1 3 . 1 1 55 55 ILE HA H 55 3.746 3.746 3.929 -0.183 18411 1984 1 3 . 1 1 55 55 ILE C C 55 179.005 179.005 178.113 0.892 18411 1985 1 3 . 1 1 55 55 ILE CA C 55 66.678 66.678 66.214 0.464 18411 1986 1 3 . 1 1 55 55 ILE CB C 55 37.449 37.449 37.960 -0.511 18411 1987 1 3 . 1 1 55 55 ILE H H 55 7.935 7.935 9.098 -1.163 18411 1988 1 3 . 1 1 56 56 GLU N N 56 120.941 120.941 119.026 1.915 18411 1989 1 3 . 1 1 56 56 GLU HA H 56 4.578 4.578 4.305 0.273 18411 1990 1 3 . 1 1 56 56 GLU C C 56 177.034 177.034 178.922 -1.888 18411 1991 1 3 . 1 1 56 56 GLU CA C 56 59.607 59.607 59.751 -0.144 18411 1992 1 3 . 1 1 56 56 GLU CB C 56 29.640 29.640 28.936 0.705 18411 1993 1 3 . 1 1 56 56 GLU H H 56 8.657 8.657 8.855 -0.198 18411 1994 1 3 . 1 1 57 57 LYS N N 57 114.712 114.712 119.519 -4.807 18411 1995 1 3 . 1 1 57 57 LYS HA H 57 4.165 4.165 4.154 0.011 18411 1996 1 3 . 1 1 57 57 LYS C C 57 177.831 177.831 177.941 -0.110 18411 1997 1 3 . 1 1 57 57 LYS CA C 57 59.905 59.905 59.569 0.336 18411 1998 1 3 . 1 1 57 57 LYS CB C 57 33.873 33.873 32.522 1.351 18411 1999 1 3 . 1 1 57 57 LYS H H 57 7.719 7.719 7.677 0.042 18411 2000 1 3 . 1 1 58 58 ASP N N 58 114.953 114.953 117.768 -2.815 18411 2001 1 3 . 1 1 58 58 ASP HA H 58 4.843 4.843 4.734 0.109 18411 2002 1 3 . 1 1 58 58 ASP C C 58 176.515 176.515 177.985 -1.470 18411 2003 1 3 . 1 1 58 58 ASP CA C 58 56.125 56.125 55.948 0.177 18411 2004 1 3 . 1 1 58 58 ASP CB C 58 42.087 42.087 42.153 -0.066 18411 2005 1 3 . 1 1 58 58 ASP H H 58 8.783 8.783 8.054 0.729 18411 2006 1 3 . 1 1 59 59 ILE N N 59 115.807 115.807 121.668 -5.861 18411 2007 1 3 . 1 1 59 59 ILE HA H 59 4.268 4.268 3.902 0.366 18411 2008 1 3 . 1 1 59 59 ILE C C 59 176.369 176.369 177.945 -1.576 18411 2009 1 3 . 1 1 59 59 ILE CA C 59 63.757 63.757 64.975 -1.218 18411 2010 1 3 . 1 1 59 59 ILE CB C 59 40.396 40.396 38.235 2.161 18411 2011 1 3 . 1 1 59 59 ILE H H 59 7.455 7.455 7.890 -0.435 18411 2012 1 3 . 1 1 60 60 TRP N N 60 120.937 120.937 121.122 -0.185 18411 2013 1 3 . 1 1 60 60 TRP HA H 60 4.727 4.727 4.401 0.326 18411 2014 1 3 . 1 1 60 60 TRP C C 60 177.428 177.428 178.097 -0.669 18411 2015 1 3 . 1 1 60 60 TRP CA C 60 60.644 60.644 60.546 0.098 18411 2016 1 3 . 1 1 60 60 TRP CB C 60 30.907 30.907 30.529 0.378 18411 2017 1 3 . 1 1 60 60 TRP H H 60 9.012 9.012 8.400 0.612 18411 2018 1 3 . 1 1 61 61 LEU N N 61 113.624 113.624 119.815 -6.191 18411 2019 1 3 . 1 1 61 61 LEU HA H 61 3.572 3.572 3.714 -0.142 18411 2020 1 3 . 1 1 61 61 LEU C C 61 179.473 179.473 178.976 0.497 18411 2021 1 3 . 1 1 61 61 LEU CA C 61 57.569 57.569 57.924 -0.355 18411 2022 1 3 . 1 1 61 61 LEU CB C 61 41.040 41.040 41.122 -0.082 18411 2023 1 3 . 1 1 61 61 LEU H H 61 9.210 9.210 8.138 1.072 18411 2024 1 3 . 1 1 62 62 LYS N N 62 112.991 112.991 114.664 -1.673 18411 2025 1 3 . 1 1 62 62 LYS HA H 62 3.889 3.889 3.951 -0.062 18411 2026 1 3 . 1 1 62 62 LYS C C 62 178.111 178.111 177.301 0.810 18411 2027 1 3 . 1 1 62 62 LYS CA C 62 56.667 56.667 57.282 -0.615 18411 2028 1 3 . 1 1 62 62 LYS CB C 62 31.651 31.651 32.323 -0.672 18411 2029 1 3 . 1 1 62 62 LYS H H 62 6.216 6.216 8.260 -2.044 18411 2030 1 3 . 1 1 63 63 HIS N N 63 114.656 114.656 114.188 0.468 18411 2031 1 3 . 1 1 63 63 HIS HA H 63 4.943 4.943 4.604 0.339 18411 2032 1 3 . 1 1 63 63 HIS C C 63 177.057 177.057 175.365 1.692 18411 2033 1 3 . 1 1 63 63 HIS CA C 63 56.133 56.133 55.594 0.539 18411 2034 1 3 . 1 1 63 63 HIS CB C 63 33.235 33.235 31.456 1.779 18411 2035 1 3 . 1 1 63 63 HIS H H 63 7.067 7.067 7.509 -0.442 18411 2036 1 3 . 1 1 64 64 LYS N N 64 119.155 119.155 119.779 -0.624 18411 2037 1 3 . 1 1 64 64 LYS HA H 64 3.513 3.513 3.854 -0.341 18411 2038 1 3 . 1 1 64 64 LYS C C 64 177.074 177.074 177.138 -0.064 18411 2039 1 3 . 1 1 64 64 LYS CA C 64 59.166 59.166 59.713 -0.547 18411 2040 1 3 . 1 1 64 64 LYS CB C 64 28.740 28.740 31.346 -2.606 18411 2041 1 3 . 1 1 64 64 LYS H H 64 8.114 8.114 7.797 0.317 18411 2042 1 3 . 1 1 65 65 ASP N N 65 117.882 117.882 116.055 1.827 18411 2043 1 3 . 1 1 65 65 ASP HA H 65 4.714 4.714 4.489 0.225 18411 2044 1 3 . 1 1 65 65 ASP C C 65 175.195 175.195 178.084 -2.889 18411 2045 1 3 . 1 1 65 65 ASP CA C 65 54.204 54.204 55.118 -0.914 18411 2046 1 3 . 1 1 65 65 ASP CB C 65 40.564 40.564 40.962 -0.398 18411 2047 1 3 . 1 1 65 65 ASP H H 65 7.963 7.963 8.080 -0.117 18411 2048 1 3 . 1 1 66 66 ASN N N 66 122.091 122.091 118.283 3.808 18411 2049 1 3 . 1 1 66 66 ASN HA H 66 4.659 4.659 4.286 0.373 18411 2050 1 3 . 1 1 66 66 ASN C C 66 176.046 176.046 175.001 1.045 18411 2051 1 3 . 1 1 66 66 ASN CA C 66 52.799 52.799 55.675 -2.876 18411 2052 1 3 . 1 1 66 66 ASN CB C 66 39.054 39.054 37.727 1.327 18411 2053 1 3 . 1 1 66 66 ASN H H 66 8.184 8.184 8.509 -0.325 18411 2054 1 3 . 1 1 67 67 ALA N N 67 128.893 128.893 119.578 9.315 18411 2055 1 3 . 1 1 67 67 ALA HA H 67 4.295 4.295 4.205 0.090 18411 2056 1 3 . 1 1 67 67 ALA C C 67 177.886 177.886 175.814 2.072 18411 2057 1 3 . 1 1 67 67 ALA CA C 67 54.049 54.049 52.881 1.168 18411 2058 1 3 . 1 1 67 67 ALA CB C 67 18.549 18.549 19.059 -0.510 18411 2059 1 3 . 1 1 67 67 ALA H H 67 8.806 8.806 8.446 0.360 18411 2060 1 3 . 1 1 68 68 ASP N N 68 116.612 116.612 118.403 -1.791 18411 2061 1 3 . 1 1 68 68 ASP HA H 68 4.823 4.823 4.905 -0.082 18411 2062 1 3 . 1 1 68 68 ASP C C 68 173.310 173.310 174.878 -1.568 18411 2063 1 3 . 1 1 68 68 ASP CA C 68 54.202 54.202 54.413 -0.211 18411 2064 1 3 . 1 1 68 68 ASP CB C 68 40.892 40.892 43.150 -2.258 18411 2065 1 3 . 1 1 68 68 ASP H H 68 8.759 8.759 8.363 0.396 18411 2066 1 3 . 1 1 69 69 PHE N N 69 119.640 119.640 121.454 -1.814 18411 2067 1 3 . 1 1 69 69 PHE HA H 69 5.741 5.741 5.302 0.439 18411 2068 1 3 . 1 1 69 69 PHE C C 69 173.860 173.860 173.200 0.660 18411 2069 1 3 . 1 1 69 69 PHE CA C 69 56.192 56.192 56.202 -0.010 18411 2070 1 3 . 1 1 69 69 PHE CB C 69 43.496 43.496 42.671 0.825 18411 2071 1 3 . 1 1 69 69 PHE H H 69 7.912 7.912 7.826 0.086 18411 2072 1 3 . 1 1 70 70 ALA N N 70 130.226 130.226 127.300 2.926 18411 2073 1 3 . 1 1 70 70 ALA HA H 70 4.321 4.321 4.677 -0.356 18411 2074 1 3 . 1 1 70 70 ALA C C 70 171.945 171.945 174.200 -2.255 18411 2075 1 3 . 1 1 70 70 ALA CA C 70 51.573 51.573 51.000 0.573 18411 2076 1 3 . 1 1 70 70 ALA CB C 70 23.273 23.273 22.604 0.669 18411 2077 1 3 . 1 1 70 70 ALA H H 70 8.298 8.298 8.239 0.059 18411 2078 1 3 . 1 1 71 71 LEU N N 71 122.090 122.090 123.266 -1.176 18411 2079 1 3 . 1 1 71 71 LEU HA H 71 5.120 5.120 5.115 0.005 18411 2080 1 3 . 1 1 71 71 LEU C C 71 174.836 174.836 175.079 -0.243 18411 2081 1 3 . 1 1 71 71 LEU CA C 71 53.348 53.348 54.121 -0.773 18411 2082 1 3 . 1 1 71 71 LEU CB C 71 46.617 46.617 45.465 1.151 18411 2083 1 3 . 1 1 71 71 LEU H H 71 7.217 7.217 8.553 -1.336 18411 2084 1 3 . 1 1 72 72 ILE N N 72 123.189 123.189 124.382 -1.193 18411 2085 1 3 . 1 1 72 72 ILE HA H 72 4.336 4.336 4.555 -0.219 18411 2086 1 3 . 1 1 72 72 ILE C C 72 175.377 175.377 174.491 0.886 18411 2087 1 3 . 1 1 72 72 ILE CA C 72 60.236 60.236 60.004 0.232 18411 2088 1 3 . 1 1 72 72 ILE CB C 72 42.355 42.355 42.569 -0.214 18411 2089 1 3 . 1 1 72 72 ILE H H 72 8.211 8.211 9.083 -0.872 18411 2090 1 3 . 1 1 73 73 GLY N N 73 114.189 114.189 113.529 0.660 18411 2091 1 3 . 1 1 73 73 GLY C C 73 172.626 172.626 172.693 -0.067 18411 2092 1 3 . 1 1 73 73 GLY CA C 73 44.213 44.213 43.527 0.686 18411 2093 1 3 . 1 1 73 73 GLY H H 73 9.202 9.202 8.639 0.563 18411 2094 1 3 . 1 1 74 74 ILE N N 74 126.577 126.577 124.577 2.000 18411 2095 1 3 . 1 1 74 74 ILE HA H 74 3.873 3.873 4.745 -0.872 18411 2096 1 3 . 1 1 74 74 ILE C C 74 174.792 174.792 174.200 0.592 18411 2097 1 3 . 1 1 74 74 ILE CA C 74 61.660 61.660 60.360 1.300 18411 2098 1 3 . 1 1 74 74 ILE CB C 74 37.394 37.394 40.120 -2.726 18411 2099 1 3 . 1 1 74 74 ILE H H 74 9.279 9.279 9.148 0.131 18411 2100 1 3 . 1 1 75 75 ASP N N 75 129.040 129.040 128.641 0.399 18411 2101 1 3 . 1 1 75 75 ASP HA H 75 5.213 5.213 5.064 0.149 18411 2102 1 3 . 1 1 75 75 ASP C C 75 175.696 175.696 174.683 1.013 18411 2103 1 3 . 1 1 75 75 ASP CA C 75 52.425 52.425 52.977 -0.552 18411 2104 1 3 . 1 1 75 75 ASP CB C 75 41.673 41.673 43.810 -2.137 18411 2105 1 3 . 1 1 75 75 ASP H H 75 8.592 8.592 9.165 -0.573 18411 2106 1 3 . 1 1 76 76 ARG N N 76 128.762 128.762 126.656 2.106 18411 2107 1 3 . 1 1 76 76 ARG HA H 76 4.346 4.346 4.343 0.003 18411 2108 1 3 . 1 1 76 76 ARG C C 76 174.562 174.562 176.911 -2.349 18411 2109 1 3 . 1 1 76 76 ARG CA C 76 58.885 58.885 55.817 3.068 18411 2110 1 3 . 1 1 76 76 ARG CB C 76 32.732 32.732 31.251 1.481 18411 2111 1 3 . 1 1 76 76 ARG H H 76 8.842 8.842 8.438 0.404 18411 2112 1 3 . 1 1 77 77 ASP N N 77 128.451 128.451 124.682 3.769 18411 2113 1 3 . 1 1 77 77 ASP HA H 77 4.473 4.473 4.385 0.088 18411 2114 1 3 . 1 1 77 77 ASP C C 77 173.969 173.969 176.120 -2.151 18411 2115 1 3 . 1 1 77 77 ASP CA C 77 56.139 56.139 57.656 -1.516 18411 2116 1 3 . 1 1 77 77 ASP CB C 77 42.541 42.541 40.149 2.392 18411 2117 1 3 . 1 1 77 77 ASP H H 77 8.256 8.256 9.220 -0.964 18411 2118 1 3 . 1 1 78 78 GLU N N 78 114.796 114.796 121.386 -6.590 18411 2119 1 3 . 1 1 78 78 GLU HA H 78 5.060 5.060 4.423 0.637 18411 2120 1 3 . 1 1 78 78 GLU C C 78 174.225 174.225 174.885 -0.660 18411 2121 1 3 . 1 1 78 78 GLU CA C 78 54.220 54.220 55.383 -1.163 18411 2122 1 3 . 1 1 78 78 GLU CB C 78 32.842 32.842 29.059 3.783 18411 2123 1 3 . 1 1 78 78 GLU H H 78 8.010 8.010 7.954 0.056 18411 2124 1 3 . 1 1 79 79 PRO HA H 79 4.579 4.579 4.686 -0.107 18411 2125 1 3 . 1 1 79 79 PRO C C 79 177.508 177.508 177.529 -0.021 18411 2126 1 3 . 1 1 79 79 PRO CA C 79 62.067 62.067 61.884 0.183 18411 2127 1 3 . 1 1 79 79 PRO CB C 79 33.096 33.096 32.784 0.312 18411 2128 1 3 . 1 1 80 80 LEU N N 80 122.209 122.209 121.179 1.030 18411 2129 1 3 . 1 1 80 80 LEU HA H 80 3.927 3.927 3.971 -0.044 18411 2130 1 3 . 1 1 80 80 LEU C C 80 177.847 177.847 178.424 -0.577 18411 2131 1 3 . 1 1 80 80 LEU CA C 80 59.188 59.188 59.379 -0.191 18411 2132 1 3 . 1 1 80 80 LEU CB C 80 42.001 42.001 41.650 0.351 18411 2133 1 3 . 1 1 80 80 LEU H H 80 8.943 8.943 8.426 0.517 18411 2134 1 3 . 1 1 81 81 GLU N N 81 115.361 115.361 117.810 -2.449 18411 2135 1 3 . 1 1 81 81 GLU HA H 81 3.999 3.999 4.098 -0.099 18411 2136 1 3 . 1 1 81 81 GLU C C 81 180.044 180.044 178.467 1.577 18411 2137 1 3 . 1 1 81 81 GLU CA C 81 60.552 60.552 59.221 1.331 18411 2138 1 3 . 1 1 81 81 GLU CB C 81 28.723 28.723 28.100 0.623 18411 2139 1 3 . 1 1 81 81 GLU H H 81 9.534 9.534 8.695 0.839 18411 2140 1 3 . 1 1 82 82 LYS N N 82 118.582 118.582 119.013 -0.431 18411 2141 1 3 . 1 1 82 82 LYS HA H 82 4.183 4.183 4.127 0.056 18411 2142 1 3 . 1 1 82 82 LYS C C 82 179.226 179.226 179.092 0.134 18411 2143 1 3 . 1 1 82 82 LYS CA C 82 58.248 58.248 58.832 -0.584 18411 2144 1 3 . 1 1 82 82 LYS CB C 82 32.912 32.912 31.731 1.181 18411 2145 1 3 . 1 1 82 82 LYS H H 82 7.332 7.332 8.121 -0.789 18411 2146 1 3 . 1 1 83 83 VAL N N 83 122.971 122.971 120.047 2.924 18411 2147 1 3 . 1 1 83 83 VAL HA H 83 3.554 3.554 3.739 -0.185 18411 2148 1 3 . 1 1 83 83 VAL C C 83 178.331 178.331 178.747 -0.416 18411 2149 1 3 . 1 1 83 83 VAL CA C 83 67.063 67.063 66.581 0.482 18411 2150 1 3 . 1 1 83 83 VAL CB C 83 31.497 31.497 31.468 0.029 18411 2151 1 3 . 1 1 83 83 VAL H H 83 7.743 7.743 7.755 -0.012 18411 2152 1 3 . 1 1 84 84 LEU N N 84 119.209 119.209 120.373 -1.164 18411 2153 1 3 . 1 1 84 84 LEU HA H 84 4.030 4.030 3.934 0.096 18411 2154 1 3 . 1 1 84 84 LEU C C 84 180.647 180.647 178.794 1.853 18411 2155 1 3 . 1 1 84 84 LEU CA C 84 57.975 57.975 58.350 -0.375 18411 2156 1 3 . 1 1 84 84 LEU CB C 84 42.010 42.010 40.921 1.089 18411 2157 1 3 . 1 1 84 84 LEU H H 84 8.706 8.706 7.789 0.917 18411 2158 1 3 . 1 1 85 85 ALA N N 85 120.801 120.801 122.141 -1.340 18411 2159 1 3 . 1 1 85 85 ALA HA H 85 4.198 4.198 3.996 0.202 18411 2160 1 3 . 1 1 85 85 ALA C C 85 180.253 180.253 179.088 1.165 18411 2161 1 3 . 1 1 85 85 ALA CA C 85 54.947 54.947 55.155 -0.208 18411 2162 1 3 . 1 1 85 85 ALA CB C 85 17.973 17.973 18.336 -0.363 18411 2163 1 3 . 1 1 85 85 ALA H H 85 7.440 7.440 8.581 -1.141 18411 2164 1 3 . 1 1 86 86 PHE N N 86 123.035 123.035 118.800 4.235 18411 2165 1 3 . 1 1 86 86 PHE HA H 86 4.905 4.905 4.142 0.763 18411 2166 1 3 . 1 1 86 86 PHE C C 86 179.015 179.015 176.410 2.605 18411 2167 1 3 . 1 1 86 86 PHE CA C 86 56.648 56.648 60.583 -3.935 18411 2168 1 3 . 1 1 86 86 PHE CB C 86 39.249 39.249 39.395 -0.146 18411 2169 1 3 . 1 1 86 86 PHE H H 86 8.040 8.040 8.205 -0.165 18411 2170 1 3 . 1 1 87 87 ALA N N 87 123.932 123.932 121.115 2.817 18411 2171 1 3 . 1 1 87 87 ALA HA H 87 3.480 3.480 3.867 -0.387 18411 2172 1 3 . 1 1 87 87 ALA C C 87 179.800 179.800 179.732 0.068 18411 2173 1 3 . 1 1 87 87 ALA CA C 87 55.183 55.183 54.470 0.713 18411 2174 1 3 . 1 1 87 87 ALA CB C 87 17.602 17.602 18.941 -1.339 18411 2175 1 3 . 1 1 87 87 ALA H H 87 8.453 8.453 8.058 0.395 18411 2176 1 3 . 1 1 88 88 LYS N N 88 116.535 116.535 116.818 -0.283 18411 2177 1 3 . 1 1 88 88 LYS HA H 88 4.030 4.030 3.957 0.073 18411 2178 1 3 . 1 1 88 88 LYS C C 88 179.562 179.562 177.901 1.661 18411 2179 1 3 . 1 1 88 88 LYS CA C 88 59.063 59.063 58.561 0.502 18411 2180 1 3 . 1 1 88 88 LYS CB C 88 32.466 32.466 31.984 0.482 18411 2181 1 3 . 1 1 88 88 LYS H H 88 7.664 7.664 8.192 -0.528 18411 2182 1 3 . 1 1 89 89 SER N N 89 113.619 113.619 112.262 1.357 18411 2183 1 3 . 1 1 89 89 SER HA H 89 4.271 4.271 4.351 -0.080 18411 2184 1 3 . 1 1 89 89 SER C C 89 177.004 177.004 174.854 2.150 18411 2185 1 3 . 1 1 89 89 SER CA C 89 61.139 61.139 59.581 1.558 18411 2186 1 3 . 1 1 89 89 SER CB C 89 63.327 63.327 63.541 -0.214 18411 2187 1 3 . 1 1 89 89 SER H H 89 8.417 8.417 7.401 1.016 18411 2188 1 3 . 1 1 90 90 THR N N 90 109.601 109.601 110.050 -0.449 18411 2189 1 3 . 1 1 90 90 THR HA H 90 4.287 4.287 4.416 -0.129 18411 2190 1 3 . 1 1 90 90 THR C C 90 176.074 176.074 174.823 1.251 18411 2191 1 3 . 1 1 90 90 THR CA C 90 62.926 62.926 60.777 2.149 18411 2192 1 3 . 1 1 90 90 THR CB C 90 70.563 70.563 70.441 0.122 18411 2193 1 3 . 1 1 90 90 THR H H 90 7.710 7.710 7.681 0.029 18411 2194 1 3 . 1 1 91 91 GLY N N 91 110.243 110.243 111.343 -1.100 18411 2195 1 3 . 1 1 91 91 GLY C C 91 174.815 174.815 173.564 1.251 18411 2196 1 3 . 1 1 91 91 GLY CA C 91 46.042 46.042 45.541 0.501 18411 2197 1 3 . 1 1 91 91 GLY H H 91 7.609 7.609 7.680 -0.071 18411 2198 1 3 . 1 1 92 92 VAL N N 92 112.099 112.099 121.191 -9.092 18411 2199 1 3 . 1 1 92 92 VAL HA H 92 4.309 4.309 3.506 0.803 18411 2200 1 3 . 1 1 92 92 VAL C C 92 178.372 178.372 175.452 2.920 18411 2201 1 3 . 1 1 92 92 VAL CA C 92 60.696 60.696 63.014 -2.318 18411 2202 1 3 . 1 1 92 92 VAL CB C 92 32.337 32.337 30.160 2.177 18411 2203 1 3 . 1 1 92 92 VAL H H 92 7.046 7.046 7.773 -0.727 18411 2204 1 3 . 1 1 93 93 THR N N 93 114.289 114.289 117.805 -3.516 18411 2205 1 3 . 1 1 93 93 THR HA H 93 4.457 4.457 4.157 0.299 18411 2206 1 3 . 1 1 93 93 THR C C 93 175.115 175.115 173.467 1.648 18411 2207 1 3 . 1 1 93 93 THR CA C 93 61.280 61.280 63.999 -2.719 18411 2208 1 3 . 1 1 93 93 THR CB C 93 70.314 70.314 69.314 1.000 18411 2209 1 3 . 1 1 93 93 THR H H 93 10.844 10.844 8.544 2.300 18411 2210 1 3 . 1 1 94 94 TYR N N 94 122.050 122.050 118.455 3.595 18411 2211 1 3 . 1 1 94 94 TYR HA H 94 3.740 3.740 3.930 -0.190 18411 2212 1 3 . 1 1 94 94 TYR C C 94 171.563 171.563 172.737 -1.174 18411 2213 1 3 . 1 1 94 94 TYR CA C 94 53.080 53.080 52.854 0.226 18411 2214 1 3 . 1 1 94 94 TYR CB C 94 34.195 34.195 37.440 -3.245 18411 2215 1 3 . 1 1 94 94 TYR H H 94 6.391 6.391 6.931 -0.540 18411 2216 1 3 . 1 1 95 95 PRO HA H 95 4.105 4.105 4.322 -0.217 18411 2217 1 3 . 1 1 95 95 PRO C C 95 175.152 175.152 175.466 -0.314 18411 2218 1 3 . 1 1 95 95 PRO CA C 95 63.799 63.799 62.630 1.169 18411 2219 1 3 . 1 1 95 95 PRO CB C 95 32.919 32.919 32.682 0.237 18411 2220 1 3 . 1 1 96 96 LEU N N 96 122.325 122.325 123.038 -0.713 18411 2221 1 3 . 1 1 96 96 LEU HA H 96 5.143 5.143 5.045 0.098 18411 2222 1 3 . 1 1 96 96 LEU C C 96 176.072 176.072 176.520 -0.448 18411 2223 1 3 . 1 1 96 96 LEU CA C 96 52.794 52.794 53.467 -0.673 18411 2224 1 3 . 1 1 96 96 LEU CB C 96 45.567 45.567 44.911 0.656 18411 2225 1 3 . 1 1 96 96 LEU H H 96 8.256 8.256 8.298 -0.042 18411 2226 1 3 . 1 1 97 97 GLY N N 97 107.295 107.295 107.558 -0.263 18411 2227 1 3 . 1 1 97 97 GLY C C 97 171.546 171.546 172.351 -0.805 18411 2228 1 3 . 1 1 97 97 GLY CA C 97 44.069 44.069 43.610 0.459 18411 2229 1 3 . 1 1 97 97 GLY H H 97 9.177 9.177 9.076 0.101 18411 2230 1 3 . 1 1 98 98 LEU N N 98 118.550 118.550 118.624 -0.074 18411 2231 1 3 . 1 1 98 98 LEU HA H 98 4.872 4.872 5.146 -0.274 18411 2232 1 3 . 1 1 98 98 LEU C C 98 176.132 176.132 175.055 1.077 18411 2233 1 3 . 1 1 98 98 LEU CA C 98 54.460 54.460 53.635 0.825 18411 2234 1 3 . 1 1 98 98 LEU CB C 98 43.567 43.567 43.512 0.055 18411 2235 1 3 . 1 1 98 98 LEU H H 98 8.106 8.106 8.447 -0.341 18411 2236 1 3 . 1 1 99 99 ASP N N 99 118.061 118.061 122.626 -4.565 18411 2237 1 3 . 1 1 99 99 ASP HA H 99 5.403 5.403 5.208 0.195 18411 2238 1 3 . 1 1 99 99 ASP C C 99 175.069 175.069 174.229 0.840 18411 2239 1 3 . 1 1 99 99 ASP CA C 99 51.057 51.057 50.573 0.484 18411 2240 1 3 . 1 1 99 99 ASP CB C 99 42.069 42.069 42.382 -0.313 18411 2241 1 3 . 1 1 99 99 ASP H H 99 8.481 8.481 9.093 -0.612 18411 2242 1 3 . 1 1 100 100 PRO HA H 100 4.564 4.564 4.469 0.095 18411 2243 1 3 . 1 1 100 100 PRO C C 100 179.600 179.600 177.497 2.103 18411 2244 1 3 . 1 1 100 100 PRO CA C 100 64.020 64.020 63.136 0.884 18411 2245 1 3 . 1 1 100 100 PRO CB C 100 31.455 31.455 31.485 -0.030 18411 2246 1 3 . 1 1 101 101 GLY N N 101 114.780 114.780 112.532 2.248 18411 2247 1 3 . 1 1 101 101 GLY C C 101 173.600 173.600 174.256 -0.656 18411 2248 1 3 . 1 1 101 101 GLY CA C 101 46.175 46.175 44.860 1.315 18411 2249 1 3 . 1 1 101 101 GLY H H 101 9.045 9.045 8.493 0.552 18411 2250 1 3 . 1 1 102 102 ALA N N 102 117.089 117.089 121.531 -4.442 18411 2251 1 3 . 1 1 102 102 ALA HA H 102 4.376 4.376 4.226 0.150 18411 2252 1 3 . 1 1 102 102 ALA C C 102 175.955 175.955 177.402 -1.447 18411 2253 1 3 . 1 1 102 102 ALA CA C 102 52.693 52.693 52.659 0.034 18411 2254 1 3 . 1 1 102 102 ALA CB C 102 18.256 18.256 17.296 0.960 18411 2255 1 3 . 1 1 102 102 ALA H H 102 8.257 8.257 7.861 0.396 18411 2256 1 3 . 1 1 103 103 ASP N N 103 118.691 118.691 119.343 -0.652 18411 2257 1 3 . 1 1 103 103 ASP HA H 103 4.444 4.444 4.447 -0.003 18411 2258 1 3 . 1 1 103 103 ASP C C 103 179.021 179.021 177.735 1.286 18411 2259 1 3 . 1 1 103 103 ASP CA C 103 57.935 57.935 57.062 0.873 18411 2260 1 3 . 1 1 103 103 ASP CB C 103 41.368 41.368 41.390 -0.022 18411 2261 1 3 . 1 1 103 103 ASP H H 103 6.739 6.739 8.379 -1.640 18411 2262 1 3 . 1 1 104 104 ILE N N 104 126.075 126.075 119.821 6.254 18411 2263 1 3 . 1 1 104 104 ILE HA H 104 3.682 3.682 3.763 -0.081 18411 2264 1 3 . 1 1 104 104 ILE C C 104 179.321 179.321 177.624 1.697 18411 2265 1 3 . 1 1 104 104 ILE CA C 104 66.522 66.522 62.880 3.642 18411 2266 1 3 . 1 1 104 104 ILE CB C 104 36.754 36.754 36.971 -0.217 18411 2267 1 3 . 1 1 104 104 ILE H H 104 11.476 11.476 8.227 3.249 18411 2268 1 3 . 1 1 105 105 PHE N N 105 124.513 124.513 119.915 4.598 18411 2269 1 3 . 1 1 105 105 PHE HA H 105 3.646 3.646 3.614 0.032 18411 2270 1 3 . 1 1 105 105 PHE C C 105 177.818 177.818 176.693 1.125 18411 2271 1 3 . 1 1 105 105 PHE CA C 105 62.948 62.948 61.407 1.541 18411 2272 1 3 . 1 1 105 105 PHE CB C 105 38.350 38.350 39.166 -0.816 18411 2273 1 3 . 1 1 105 105 PHE H H 105 9.473 9.473 8.990 0.483 18411 2274 1 3 . 1 1 106 106 ALA N N 106 115.835 115.835 119.852 -4.017 18411 2275 1 3 . 1 1 106 106 ALA HA H 106 4.927 4.927 4.633 0.294 18411 2276 1 3 . 1 1 106 106 ALA C C 106 179.271 179.271 178.631 0.640 18411 2277 1 3 . 1 1 106 106 ALA CA C 106 52.672 52.672 53.853 -1.181 18411 2278 1 3 . 1 1 106 106 ALA CB C 106 19.093 19.093 18.483 0.610 18411 2279 1 3 . 1 1 106 106 ALA H H 106 8.418 8.418 7.829 0.589 18411 2280 1 3 . 1 1 107 107 LYS N N 107 116.823 116.823 116.505 0.318 18411 2281 1 3 . 1 1 107 107 LYS HA H 107 4.145 4.145 4.046 0.099 18411 2282 1 3 . 1 1 107 107 LYS C C 107 176.006 176.006 176.915 -0.909 18411 2283 1 3 . 1 1 107 107 LYS CA C 107 57.980 57.980 58.202 -0.222 18411 2284 1 3 . 1 1 107 107 LYS CB C 107 33.041 33.041 32.502 0.539 18411 2285 1 3 . 1 1 107 107 LYS H H 107 8.106 8.106 7.570 0.536 18411 2286 1 3 . 1 1 108 108 TYR N N 108 114.793 114.793 115.170 -0.377 18411 2287 1 3 . 1 1 108 108 TYR HA H 108 4.311 4.311 4.528 -0.217 18411 2288 1 3 . 1 1 108 108 TYR C C 108 176.010 176.010 174.103 1.907 18411 2289 1 3 . 1 1 108 108 TYR CA C 108 59.270 59.270 59.013 0.257 18411 2290 1 3 . 1 1 108 108 TYR CB C 108 40.965 40.965 41.681 -0.716 18411 2291 1 3 . 1 1 108 108 TYR H H 108 7.811 7.811 7.554 0.257 18411 2292 1 3 . 1 1 109 109 ALA N N 109 125.709 125.709 118.631 7.078 18411 2293 1 3 . 1 1 109 109 ALA HA H 109 4.760 4.760 4.925 -0.165 18411 2294 1 3 . 1 1 109 109 ALA C C 109 174.711 174.711 174.818 -0.107 18411 2295 1 3 . 1 1 109 109 ALA CA C 109 50.276 50.276 50.205 0.071 18411 2296 1 3 . 1 1 109 109 ALA CB C 109 21.924 21.924 21.730 0.194 18411 2297 1 3 . 1 1 109 109 ALA H H 109 8.595 8.595 7.960 0.635 18411 2298 1 3 . 1 1 110 110 LEU N N 110 117.834 117.834 120.873 -3.039 18411 2299 1 3 . 1 1 110 110 LEU HA H 110 4.137 4.137 4.271 -0.134 18411 2300 1 3 . 1 1 110 110 LEU C C 110 179.153 179.153 178.612 0.541 18411 2301 1 3 . 1 1 110 110 LEU CA C 110 55.164 55.164 55.106 0.058 18411 2302 1 3 . 1 1 110 110 LEU CB C 110 42.292 42.292 42.407 -0.115 18411 2303 1 3 . 1 1 110 110 LEU H H 110 7.814 7.814 8.139 -0.325 18411 2304 1 3 . 1 1 111 111 ARG N N 111 119.787 119.787 122.908 -3.121 18411 2305 1 3 . 1 1 111 111 ARG HA H 111 3.916 3.916 4.231 -0.315 18411 2306 1 3 . 1 1 111 111 ARG C C 111 176.962 176.962 178.298 -1.336 18411 2307 1 3 . 1 1 111 111 ARG CA C 111 60.538 60.538 60.109 0.429 18411 2308 1 3 . 1 1 111 111 ARG CB C 111 30.424 30.424 30.141 0.283 18411 2309 1 3 . 1 1 111 111 ARG H H 111 8.655 8.655 8.991 -0.336 18411 2310 1 3 . 1 1 112 112 ASP N N 112 113.338 113.338 117.458 -4.120 18411 2311 1 3 . 1 1 112 112 ASP HA H 112 4.662 4.662 4.684 -0.022 18411 2312 1 3 . 1 1 112 112 ASP C C 112 176.387 176.387 176.406 -0.019 18411 2313 1 3 . 1 1 112 112 ASP CA C 112 52.833 52.833 54.399 -1.566 18411 2314 1 3 . 1 1 112 112 ASP CB C 112 40.135 40.135 40.814 -0.679 18411 2315 1 3 . 1 1 112 112 ASP H H 112 8.205 8.205 8.525 -0.320 18411 2316 1 3 . 1 1 113 113 ALA N N 113 122.885 122.885 123.674 -0.789 18411 2317 1 3 . 1 1 113 113 ALA HA H 113 4.347 4.347 4.395 -0.048 18411 2318 1 3 . 1 1 113 113 ALA C C 113 177.740 177.740 176.377 1.363 18411 2319 1 3 . 1 1 113 113 ALA CA C 113 51.983 51.983 51.402 0.581 18411 2320 1 3 . 1 1 113 113 ALA CB C 113 20.558 20.558 17.351 3.207 18411 2321 1 3 . 1 1 113 113 ALA H H 113 7.919 7.919 7.700 0.219 18411 2322 1 3 . 1 1 114 114 GLY CA C 114 45.480 45.480 44.684 0.796 18411 2323 1 3 . 1 1 115 115 ILE N N 115 122.165 122.165 123.412 -1.247 18411 2324 1 3 . 1 1 115 115 ILE HA H 115 4.119 4.119 4.092 0.027 18411 2325 1 3 . 1 1 115 115 ILE CA C 115 60.788 60.788 61.882 -1.093 18411 2326 1 3 . 1 1 115 115 ILE CB C 115 39.651 39.651 38.288 1.363 18411 2327 1 3 . 1 1 115 115 ILE H H 115 8.253 8.253 8.436 -0.183 18411 2328 1 3 . 1 1 116 116 THR N N 116 110.198 110.198 115.046 -4.848 18411 2329 1 3 . 1 1 116 116 THR HA H 116 4.101 4.101 4.300 -0.199 18411 2330 1 3 . 1 1 116 116 THR CA C 116 62.947 62.947 62.812 0.135 18411 2331 1 3 . 1 1 116 116 THR CB C 116 69.031 69.031 68.463 0.568 18411 2332 1 3 . 1 1 116 116 THR H H 116 7.033 7.033 7.827 -0.794 18411 2333 1 3 . 1 1 117 117 ARG N N 117 130.624 130.624 123.206 7.418 18411 2334 1 3 . 1 1 117 117 ARG HA H 117 4.997 4.997 5.067 -0.070 18411 2335 1 3 . 1 1 117 117 ARG C C 117 173.296 173.296 173.712 -0.416 18411 2336 1 3 . 1 1 117 117 ARG CA C 117 56.468 56.468 55.593 0.875 18411 2337 1 3 . 1 1 117 117 ARG CB C 117 31.949 31.949 33.038 -1.089 18411 2338 1 3 . 1 1 117 117 ARG H H 117 8.250 8.250 7.819 0.431 18411 2339 1 3 . 1 1 118 118 ASN N N 118 118.226 118.226 119.668 -1.442 18411 2340 1 3 . 1 1 118 118 ASN HA H 118 6.127 6.127 5.514 0.613 18411 2341 1 3 . 1 1 118 118 ASN C C 118 173.805 173.805 173.982 -0.177 18411 2342 1 3 . 1 1 118 118 ASN CA C 118 51.759 51.759 52.870 -1.111 18411 2343 1 3 . 1 1 118 118 ASN CB C 118 41.892 41.892 42.317 -0.425 18411 2344 1 3 . 1 1 118 118 ASN H H 118 7.730 7.730 9.101 -1.371 18411 2345 1 3 . 1 1 119 119 VAL N N 119 120.477 120.477 121.428 -0.951 18411 2346 1 3 . 1 1 119 119 VAL HA H 119 4.766 4.766 4.875 -0.109 18411 2347 1 3 . 1 1 119 119 VAL C C 119 173.809 173.809 174.016 -0.207 18411 2348 1 3 . 1 1 119 119 VAL CA C 119 60.808 60.808 61.463 -0.655 18411 2349 1 3 . 1 1 119 119 VAL CB C 119 35.887 35.887 34.393 1.494 18411 2350 1 3 . 1 1 119 119 VAL H H 119 9.269 9.269 9.304 -0.035 18411 2351 1 3 . 1 1 120 120 LEU N N 120 128.017 128.017 129.759 -1.742 18411 2352 1 3 . 1 1 120 120 LEU HA H 120 5.350 5.350 4.900 0.450 18411 2353 1 3 . 1 1 120 120 LEU C C 120 174.606 174.606 174.788 -0.182 18411 2354 1 3 . 1 1 120 120 LEU CA C 120 53.563 53.563 53.686 -0.123 18411 2355 1 3 . 1 1 120 120 LEU CB C 120 46.211 46.211 44.507 1.704 18411 2356 1 3 . 1 1 120 120 LEU H H 120 8.829 8.829 8.807 0.022 18411 2357 1 3 . 1 1 121 121 ILE N N 121 131.629 131.629 127.734 3.895 18411 2358 1 3 . 1 1 121 121 ILE HA H 121 4.799 4.799 5.022 -0.223 18411 2359 1 3 . 1 1 121 121 ILE C C 121 174.731 174.731 175.677 -0.946 18411 2360 1 3 . 1 1 121 121 ILE CA C 121 60.450 60.450 60.174 0.276 18411 2361 1 3 . 1 1 121 121 ILE CB C 121 41.651 41.651 39.458 2.193 18411 2362 1 3 . 1 1 121 121 ILE H H 121 9.659 9.659 9.281 0.378 18411 2363 1 3 . 1 1 122 122 ASP N N 122 124.197 124.197 127.287 -3.090 18411 2364 1 3 . 1 1 122 122 ASP HA H 122 4.513 4.513 4.762 -0.249 18411 2365 1 3 . 1 1 122 122 ASP C C 122 177.586 177.586 176.735 0.851 18411 2366 1 3 . 1 1 122 122 ASP CA C 122 52.442 52.442 52.830 -0.388 18411 2367 1 3 . 1 1 122 122 ASP CB C 122 41.476 41.476 43.300 -1.824 18411 2368 1 3 . 1 1 122 122 ASP H H 122 9.128 9.128 8.807 0.321 18411 2369 1 3 . 1 1 123 123 ARG N N 123 113.396 113.396 117.594 -4.198 18411 2370 1 3 . 1 1 123 123 ARG HA H 123 4.186 4.186 4.261 -0.075 18411 2371 1 3 . 1 1 123 123 ARG C C 123 178.717 178.717 178.447 0.270 18411 2372 1 3 . 1 1 123 123 ARG CA C 123 58.243 58.243 59.076 -0.833 18411 2373 1 3 . 1 1 123 123 ARG CB C 123 30.783 30.783 30.327 0.456 18411 2374 1 3 . 1 1 123 123 ARG H H 123 7.870 7.870 8.669 -0.799 18411 2375 1 3 . 1 1 124 124 GLU N N 124 117.427 117.427 117.666 -0.239 18411 2376 1 3 . 1 1 124 124 GLU HA H 124 4.310 4.310 4.144 0.166 18411 2377 1 3 . 1 1 124 124 GLU C C 124 176.034 176.034 177.194 -1.160 18411 2378 1 3 . 1 1 124 124 GLU CA C 124 56.164 56.164 57.878 -1.714 18411 2379 1 3 . 1 1 124 124 GLU CB C 124 30.541 30.541 30.314 0.227 18411 2380 1 3 . 1 1 124 124 GLU H H 124 8.155 8.155 8.970 -0.815 18411 2381 1 3 . 1 1 125 125 GLY N N 125 105.681 105.681 105.157 0.524 18411 2382 1 3 . 1 1 125 125 GLY C C 125 174.204 174.204 173.452 0.752 18411 2383 1 3 . 1 1 125 125 GLY CA C 125 45.160 45.160 44.735 0.425 18411 2384 1 3 . 1 1 125 125 GLY H H 125 8.094 8.094 7.933 0.161 18411 2385 1 3 . 1 1 126 126 LYS N N 126 122.326 122.326 120.527 1.799 18411 2386 1 3 . 1 1 126 126 LYS HA H 126 4.647 4.647 5.006 -0.359 18411 2387 1 3 . 1 1 126 126 LYS C C 126 176.390 176.390 175.652 0.738 18411 2388 1 3 . 1 1 126 126 LYS CA C 126 55.393 55.393 54.882 0.511 18411 2389 1 3 . 1 1 126 126 LYS CB C 126 33.569 33.569 35.047 -1.478 18411 2390 1 3 . 1 1 126 126 LYS H H 126 8.502 8.502 8.921 -0.419 18411 2391 1 3 . 1 1 127 127 ILE N N 127 121.946 121.946 122.409 -0.463 18411 2392 1 3 . 1 1 127 127 ILE HA H 127 4.048 4.048 4.552 -0.504 18411 2393 1 3 . 1 1 127 127 ILE C C 127 177.735 177.735 176.364 1.371 18411 2394 1 3 . 1 1 127 127 ILE CA C 127 63.200 63.200 61.893 1.307 18411 2395 1 3 . 1 1 127 127 ILE CB C 127 38.106 38.106 38.059 0.047 18411 2396 1 3 . 1 1 127 127 ILE H H 127 8.739 8.739 9.115 -0.376 18411 2397 1 3 . 1 1 128 128 VAL N N 128 122.026 122.026 124.245 -2.219 18411 2398 1 3 . 1 1 128 128 VAL HA H 128 4.695 4.695 4.386 0.309 18411 2399 1 3 . 1 1 128 128 VAL C C 128 175.968 175.968 175.232 0.736 18411 2400 1 3 . 1 1 128 128 VAL CA C 128 61.535 61.535 60.953 0.582 18411 2401 1 3 . 1 1 128 128 VAL CB C 128 33.996 33.996 32.311 1.685 18411 2402 1 3 . 1 1 128 128 VAL H H 128 9.397 9.397 8.963 0.434 18411 2403 1 3 . 1 1 129 129 LYS N N 129 121.635 121.635 120.329 1.306 18411 2404 1 3 . 1 1 129 129 LYS HA H 129 4.359 4.359 4.474 -0.115 18411 2405 1 3 . 1 1 129 129 LYS C C 129 172.896 172.896 173.772 -0.876 18411 2406 1 3 . 1 1 129 129 LYS CA C 129 57.322 57.322 56.465 0.857 18411 2407 1 3 . 1 1 129 129 LYS CB C 129 36.802 36.802 34.945 1.857 18411 2408 1 3 . 1 1 129 129 LYS H H 129 7.708 7.708 7.347 0.361 18411 2409 1 3 . 1 1 130 130 LEU N N 130 126.219 126.219 127.574 -1.355 18411 2410 1 3 . 1 1 130 130 LEU HA H 130 5.140 5.140 5.407 -0.267 18411 2411 1 3 . 1 1 130 130 LEU C C 130 176.956 176.956 176.364 0.592 18411 2412 1 3 . 1 1 130 130 LEU CA C 130 53.572 53.572 53.310 0.262 18411 2413 1 3 . 1 1 130 130 LEU CB C 130 44.700 44.700 43.622 1.078 18411 2414 1 3 . 1 1 130 130 LEU H H 130 8.301 8.301 8.419 -0.118 18411 2415 1 3 . 1 1 131 131 THR N N 131 113.484 113.484 114.694 -1.210 18411 2416 1 3 . 1 1 131 131 THR HA H 131 5.136 5.136 4.756 0.380 18411 2417 1 3 . 1 1 131 131 THR C C 131 175.492 175.492 174.360 1.132 18411 2418 1 3 . 1 1 131 131 THR CA C 131 61.033 61.033 59.538 1.495 18411 2419 1 3 . 1 1 131 131 THR CB C 131 70.922 70.922 71.512 -0.590 18411 2420 1 3 . 1 1 131 131 THR H H 131 9.298 9.298 8.419 0.879 18411 2421 1 3 . 1 1 132 132 ARG HA H 132 5.150 5.150 4.542 0.608 18411 2422 1 3 . 1 1 132 132 ARG CA C 132 55.585 55.585 56.126 -0.541 18411 2423 1 3 . 1 1 132 132 ARG CB C 132 33.035 33.035 29.563 3.472 18411 2424 1 3 . 1 1 133 133 LEU N N 133 118.967 118.967 118.394 0.573 18411 2425 1 3 . 1 1 133 133 LEU HA H 133 4.302 4.302 3.989 0.313 18411 2426 1 3 . 1 1 133 133 LEU CA C 133 56.200 56.200 55.813 0.387 18411 2427 1 3 . 1 1 133 133 LEU CB C 133 41.616 41.616 40.920 0.696 18411 2428 1 3 . 1 1 133 133 LEU H H 133 8.167 8.167 8.149 0.018 18411 2429 1 3 . 1 1 134 134 TYR N N 134 124.816 124.816 123.092 1.724 18411 2430 1 3 . 1 1 134 134 TYR HA H 134 4.963 4.963 4.347 0.616 18411 2431 1 3 . 1 1 134 134 TYR CA C 134 57.154 57.154 57.990 -0.836 18411 2432 1 3 . 1 1 134 134 TYR CB C 134 38.948 38.948 37.684 1.264 18411 2433 1 3 . 1 1 134 134 TYR H H 134 7.805 7.805 8.493 -0.688 18411 2434 1 3 . 1 1 135 135 ASN HA H 135 4.415 4.415 4.580 -0.165 18411 2435 1 3 . 1 1 135 135 ASN CA C 135 51.995 51.995 52.031 -0.036 18411 2436 1 3 . 1 1 135 135 ASN CB C 135 40.521 40.521 39.256 1.265 18411 2437 1 3 . 1 1 136 136 GLU HA H 136 3.694 3.694 3.424 0.270 18411 2438 1 3 . 1 1 136 136 GLU C C 136 178.797 178.797 178.487 0.310 18411 2439 1 3 . 1 1 136 136 GLU CA C 136 61.052 61.052 59.979 1.073 18411 2440 1 3 . 1 1 136 136 GLU CB C 136 29.353 29.353 29.502 -0.149 18411 2441 1 3 . 1 1 137 137 GLU N N 137 120.717 120.717 118.265 2.452 18411 2442 1 3 . 1 1 137 137 GLU HA H 137 4.176 4.176 4.144 0.032 18411 2443 1 3 . 1 1 137 137 GLU C C 137 179.707 179.707 179.025 0.682 18411 2444 1 3 . 1 1 137 137 GLU CA C 137 59.800 59.800 59.237 0.563 18411 2445 1 3 . 1 1 137 137 GLU CB C 137 29.284 29.284 29.675 -0.392 18411 2446 1 3 . 1 1 137 137 GLU H H 137 8.364 8.364 8.529 -0.165 18411 2447 1 3 . 1 1 138 138 GLU N N 138 122.448 122.448 120.939 1.509 18411 2448 1 3 . 1 1 138 138 GLU HA H 138 4.190 4.190 4.037 0.153 18411 2449 1 3 . 1 1 138 138 GLU C C 138 179.927 179.927 179.043 0.884 18411 2450 1 3 . 1 1 138 138 GLU CA C 138 59.129 59.129 58.830 0.299 18411 2451 1 3 . 1 1 138 138 GLU CB C 138 30.064 30.064 29.540 0.524 18411 2452 1 3 . 1 1 138 138 GLU H H 138 8.448 8.448 7.778 0.670 18411 2453 1 3 . 1 1 139 139 PHE N N 139 122.454 122.454 120.328 2.126 18411 2454 1 3 . 1 1 139 139 PHE HA H 139 4.171 4.171 4.142 0.029 18411 2455 1 3 . 1 1 139 139 PHE C C 139 177.370 177.370 176.361 1.009 18411 2456 1 3 . 1 1 139 139 PHE CA C 139 62.690 62.690 61.437 1.253 18411 2457 1 3 . 1 1 139 139 PHE CB C 139 39.579 39.579 38.998 0.581 18411 2458 1 3 . 1 1 139 139 PHE H H 139 8.895 8.895 8.744 0.151 18411 2459 1 3 . 1 1 140 140 ALA N N 140 120.155 120.155 121.678 -1.523 18411 2460 1 3 . 1 1 140 140 ALA HA H 140 4.100 4.100 3.857 0.243 18411 2461 1 3 . 1 1 140 140 ALA C C 140 181.270 181.270 179.473 1.797 18411 2462 1 3 . 1 1 140 140 ALA CA C 140 55.203 55.203 55.429 -0.226 18411 2463 1 3 . 1 1 140 140 ALA CB C 140 17.716 17.716 17.890 -0.174 18411 2464 1 3 . 1 1 140 140 ALA H H 140 8.240 8.240 7.739 0.501 18411 2465 1 3 . 1 1 141 141 SER N N 141 114.095 114.095 114.797 -0.702 18411 2466 1 3 . 1 1 141 141 SER HA H 141 4.267 4.267 4.138 0.129 18411 2467 1 3 . 1 1 141 141 SER C C 141 176.895 176.895 176.566 0.329 18411 2468 1 3 . 1 1 141 141 SER CA C 141 61.291 61.291 62.430 -1.139 18411 2469 1 3 . 1 1 141 141 SER CB C 141 62.690 62.690 62.920 -0.230 18411 2470 1 3 . 1 1 141 141 SER H H 141 7.835 7.835 8.118 -0.283 18411 2471 1 3 . 1 1 142 142 LEU N N 142 126.764 126.764 123.094 3.670 18411 2472 1 3 . 1 1 142 142 LEU HA H 142 3.908 3.908 3.964 -0.056 18411 2473 1 3 . 1 1 142 142 LEU C C 142 176.876 176.876 177.957 -1.081 18411 2474 1 3 . 1 1 142 142 LEU CA C 142 58.757 58.757 57.817 0.940 18411 2475 1 3 . 1 1 142 142 LEU CB C 142 41.653 41.653 41.824 -0.171 18411 2476 1 3 . 1 1 142 142 LEU H H 142 7.833 7.833 7.937 -0.104 18411 2477 1 3 . 1 1 143 143 VAL N N 143 119.066 119.066 119.126 -0.060 18411 2478 1 3 . 1 1 143 143 VAL HA H 143 3.174 3.174 3.348 -0.174 18411 2479 1 3 . 1 1 143 143 VAL C C 143 178.479 178.479 177.836 0.643 18411 2480 1 3 . 1 1 143 143 VAL CA C 143 66.864 66.864 66.988 -0.124 18411 2481 1 3 . 1 1 143 143 VAL CB C 143 32.350 32.350 31.419 0.931 18411 2482 1 3 . 1 1 143 143 VAL H H 143 8.010 8.010 8.193 -0.183 18411 2483 1 3 . 1 1 144 144 GLN N N 144 118.170 118.170 118.364 -0.194 18411 2484 1 3 . 1 1 144 144 GLN HA H 144 4.028 4.028 3.906 0.122 18411 2485 1 3 . 1 1 144 144 GLN C C 144 178.335 178.335 177.910 0.425 18411 2486 1 3 . 1 1 144 144 GLN CA C 144 59.591 59.591 58.636 0.955 18411 2487 1 3 . 1 1 144 144 GLN CB C 144 32.906 32.906 27.962 4.944 18411 2488 1 3 . 1 1 144 144 GLN H H 144 7.935 7.935 7.714 0.221 18411 2489 1 3 . 1 1 145 145 GLN N N 145 119.839 119.839 119.638 0.201 18411 2490 1 3 . 1 1 145 145 GLN HA H 145 4.029 4.029 3.994 0.035 18411 2491 1 3 . 1 1 145 145 GLN C C 145 178.686 178.686 178.506 0.180 18411 2492 1 3 . 1 1 145 145 GLN CA C 145 59.270 59.270 59.005 0.265 18411 2493 1 3 . 1 1 145 145 GLN CB C 145 27.587 27.587 28.529 -0.942 18411 2494 1 3 . 1 1 145 145 GLN H H 145 7.986 7.986 7.926 0.060 18411 2495 1 3 . 1 1 146 146 ILE N N 146 119.900 119.900 120.353 -0.453 18411 2496 1 3 . 1 1 146 146 ILE HA H 146 3.345 3.345 3.531 -0.186 18411 2497 1 3 . 1 1 146 146 ILE C C 146 177.393 177.393 177.811 -0.418 18411 2498 1 3 . 1 1 146 146 ILE CA C 146 66.902 66.902 64.831 2.071 18411 2499 1 3 . 1 1 146 146 ILE CB C 146 38.281 38.281 37.501 0.780 18411 2500 1 3 . 1 1 146 146 ILE H H 146 8.171 8.171 8.415 -0.244 18411 2501 1 3 . 1 1 147 147 ASN N N 147 116.163 116.163 118.056 -1.893 18411 2502 1 3 . 1 1 147 147 ASN HA H 147 4.196 4.196 3.972 0.224 18411 2503 1 3 . 1 1 147 147 ASN C C 147 179.035 179.035 177.960 1.075 18411 2504 1 3 . 1 1 147 147 ASN CA C 147 56.348 56.348 56.120 0.228 18411 2505 1 3 . 1 1 147 147 ASN CB C 147 38.062 38.062 37.606 0.456 18411 2506 1 3 . 1 1 147 147 ASN H H 147 7.896 7.896 8.276 -0.380 18411 2507 1 3 . 1 1 148 148 GLU N N 148 118.645 118.645 120.541 -1.896 18411 2508 1 3 . 1 1 148 148 GLU HA H 148 3.970 3.970 4.125 -0.155 18411 2509 1 3 . 1 1 148 148 GLU C C 148 179.964 179.964 178.675 1.289 18411 2510 1 3 . 1 1 148 148 GLU CA C 148 59.340 59.340 58.649 0.691 18411 2511 1 3 . 1 1 148 148 GLU CB C 148 29.572 29.572 29.260 0.312 18411 2512 1 3 . 1 1 148 148 GLU H H 148 8.311 8.311 7.759 0.552 18411 2513 1 3 . 1 1 149 149 MET N N 149 119.218 119.218 117.955 1.263 18411 2514 1 3 . 1 1 149 149 MET HA H 149 4.140 4.140 4.194 -0.054 18411 2515 1 3 . 1 1 149 149 MET C C 149 179.419 179.419 177.726 1.693 18411 2516 1 3 . 1 1 149 149 MET CA C 149 59.040 59.040 57.716 1.324 18411 2517 1 3 . 1 1 149 149 MET CB C 149 35.293 35.293 32.101 3.192 18411 2518 1 3 . 1 1 149 149 MET H H 149 8.527 8.527 7.610 0.917 18411 2519 1 3 . 1 1 150 150 LEU N N 150 118.078 118.078 115.294 2.784 18411 2520 1 3 . 1 1 150 150 LEU HA H 150 4.245 4.245 4.197 0.048 18411 2521 1 3 . 1 1 150 150 LEU C C 150 178.141 178.141 178.381 -0.240 18411 2522 1 3 . 1 1 150 150 LEU CA C 150 55.824 55.824 55.446 0.378 18411 2523 1 3 . 1 1 150 150 LEU CB C 150 41.533 41.533 41.504 0.029 18411 2524 1 3 . 1 1 150 150 LEU H H 150 7.917 7.917 7.582 0.335 18411 2525 1 3 . 1 1 151 151 LYS N N 151 120.096 120.096 117.561 2.535 18411 2526 1 3 . 1 1 151 151 LYS HA H 151 4.181 4.181 4.195 -0.014 18411 2527 1 3 . 1 1 151 151 LYS C C 151 177.029 177.029 177.424 -0.395 18411 2528 1 3 . 1 1 151 151 LYS CA C 151 57.490 57.490 57.471 0.019 18411 2529 1 3 . 1 1 151 151 LYS CB C 151 32.921 32.921 33.395 -0.474 18411 2530 1 3 . 1 1 151 151 LYS H H 151 7.466 7.466 7.199 0.267 18411 2531 1 3 . 1 1 152 152 GLU N N 152 120.188 120.188 117.318 2.870 18411 2532 1 3 . 1 1 152 152 GLU HA H 152 4.264 4.264 3.923 0.341 18411 2533 1 3 . 1 1 152 152 GLU C C 152 177.259 177.259 176.035 1.224 18411 2534 1 3 . 1 1 152 152 GLU CA C 152 57.070 57.070 57.609 -0.540 18411 2535 1 3 . 1 1 152 152 GLU CB C 152 30.385 30.385 28.797 1.588 18411 2536 1 3 . 1 1 152 152 GLU H H 152 7.820 7.820 8.775 -0.955 18411 2537 1 3 . 1 1 153 153 GLY N N 153 109.046 109.046 106.937 2.109 18411 2538 1 3 . 1 1 153 153 GLY C C 153 174.204 174.204 173.120 1.084 18411 2539 1 3 . 1 1 153 153 GLY CA C 153 45.327 45.327 45.435 -0.108 18411 2540 1 3 . 1 1 153 153 GLY H H 153 8.278 8.278 7.980 0.298 18411 2541 1 3 . 1 1 158 158 HIS HA H 158 4.606 4.606 4.726 -0.120 18411 2542 1 3 . 1 1 158 158 HIS C C 158 174.423 174.423 174.072 0.351 18411 2543 1 3 . 1 1 158 158 HIS CA C 158 56.235 56.235 56.705 -0.470 18411 2544 1 3 . 1 1 158 158 HIS CB C 158 31.028 31.028 31.656 -0.628 18411 2545 1 4 . 1 1 3 3 LEU HA H 3 3.930 3.930 4.512 -0.582 18411 2546 1 4 . 1 1 3 3 LEU CA C 3 58.669 58.669 54.545 4.124 18411 2547 1 4 . 1 1 3 3 LEU CB C 3 42.010 42.010 42.539 -0.529 18411 2548 1 4 . 1 1 4 4 GLY C C 4 173.604 173.604 173.250 0.354 18411 2549 1 4 . 1 1 4 4 GLY CA C 4 46.072 46.072 45.008 1.064 18411 2550 1 4 . 1 1 5 5 TYR N N 5 116.195 116.195 121.742 -5.547 18411 2551 1 4 . 1 1 5 5 TYR HA H 5 4.769 4.769 4.641 0.128 18411 2552 1 4 . 1 1 5 5 TYR C C 5 177.898 177.898 175.911 1.987 18411 2553 1 4 . 1 1 5 5 TYR CA C 5 60.102 60.102 57.238 2.864 18411 2554 1 4 . 1 1 5 5 TYR CB C 5 39.615 39.615 42.132 -2.517 18411 2555 1 4 . 1 1 5 5 TYR H H 5 7.849 7.849 8.392 -0.543 18411 2556 1 4 . 1 1 6 6 ILE N N 6 115.338 115.338 119.273 -3.935 18411 2557 1 4 . 1 1 6 6 ILE HA H 6 4.514 4.514 4.485 0.029 18411 2558 1 4 . 1 1 6 6 ILE C C 6 175.977 175.977 175.197 0.780 18411 2559 1 4 . 1 1 6 6 ILE CA C 6 61.623 61.623 61.367 0.256 18411 2560 1 4 . 1 1 6 6 ILE CB C 6 38.270 38.270 38.708 -0.438 18411 2561 1 4 . 1 1 6 6 ILE H H 6 8.687 8.687 8.460 0.227 18411 2562 1 4 . 1 1 7 7 VAL N N 7 113.122 113.122 116.926 -3.804 18411 2563 1 4 . 1 1 7 7 VAL HA H 7 4.730 4.730 4.495 0.235 18411 2564 1 4 . 1 1 7 7 VAL C C 7 174.331 174.331 174.987 -0.656 18411 2565 1 4 . 1 1 7 7 VAL CA C 7 58.867 58.867 59.546 -0.679 18411 2566 1 4 . 1 1 7 7 VAL CB C 7 34.475 34.475 34.392 0.083 18411 2567 1 4 . 1 1 7 7 VAL H H 7 6.845 6.845 7.562 -0.717 18411 2568 1 4 . 1 1 8 8 ARG N N 8 117.597 117.597 122.233 -4.636 18411 2569 1 4 . 1 1 8 8 ARG HA H 8 4.539 4.539 4.612 -0.073 18411 2570 1 4 . 1 1 8 8 ARG C C 8 175.618 175.618 175.760 -0.142 18411 2571 1 4 . 1 1 8 8 ARG CA C 8 53.717 53.717 54.288 -0.570 18411 2572 1 4 . 1 1 8 8 ARG CB C 8 34.126 34.126 32.649 1.477 18411 2573 1 4 . 1 1 8 8 ARG H H 8 7.978 7.978 8.405 -0.427 18411 2574 1 4 . 1 1 9 9 ILE N N 9 118.377 118.377 121.292 -2.915 18411 2575 1 4 . 1 1 9 9 ILE HA H 9 3.465 3.465 4.006 -0.541 18411 2576 1 4 . 1 1 9 9 ILE C C 9 177.771 177.771 177.449 0.322 18411 2577 1 4 . 1 1 9 9 ILE CA C 9 62.350 62.350 62.346 0.004 18411 2578 1 4 . 1 1 9 9 ILE CB C 9 37.049 37.049 37.359 -0.310 18411 2579 1 4 . 1 1 9 9 ILE H H 9 8.085 8.085 8.433 -0.348 18411 2580 1 4 . 1 1 10 10 GLY N N 10 115.204 115.204 116.646 -1.442 18411 2581 1 4 . 1 1 10 10 GLY C C 10 174.235 174.235 173.620 0.615 18411 2582 1 4 . 1 1 10 10 GLY CA C 10 44.763 44.763 44.698 0.065 18411 2583 1 4 . 1 1 10 10 GLY H H 10 9.149 9.149 9.150 -0.001 18411 2584 1 4 . 1 1 11 11 GLU N N 11 119.157 119.157 120.637 -1.480 18411 2585 1 4 . 1 1 11 11 GLU HA H 11 4.392 4.392 4.557 -0.165 18411 2586 1 4 . 1 1 11 11 GLU C C 11 176.729 176.729 175.881 0.848 18411 2587 1 4 . 1 1 11 11 GLU CA C 11 55.108 55.108 54.047 1.061 18411 2588 1 4 . 1 1 11 11 GLU CB C 11 31.473 31.473 30.976 0.497 18411 2589 1 4 . 1 1 11 11 GLU H H 11 7.631 7.631 7.533 0.098 18411 2590 1 4 . 1 1 12 12 MET N N 12 119.646 119.646 122.890 -3.244 18411 2591 1 4 . 1 1 12 12 MET HA H 12 4.593 4.593 4.634 -0.041 18411 2592 1 4 . 1 1 12 12 MET C C 12 177.162 177.162 176.626 0.536 18411 2593 1 4 . 1 1 12 12 MET CA C 12 54.475 54.475 56.018 -1.543 18411 2594 1 4 . 1 1 12 12 MET CB C 12 30.749 30.749 33.213 -2.464 18411 2595 1 4 . 1 1 12 12 MET H H 12 8.566 8.566 8.544 0.022 18411 2596 1 4 . 1 1 13 13 ALA N N 13 129.735 129.735 127.787 1.948 18411 2597 1 4 . 1 1 13 13 ALA HA H 13 4.293 4.293 4.826 -0.533 18411 2598 1 4 . 1 1 13 13 ALA C C 13 175.992 175.992 175.487 0.505 18411 2599 1 4 . 1 1 13 13 ALA CA C 13 50.676 50.676 50.087 0.589 18411 2600 1 4 . 1 1 13 13 ALA CB C 13 18.125 18.125 18.926 -0.801 18411 2601 1 4 . 1 1 13 13 ALA H H 13 8.626 8.626 8.898 -0.272 18411 2602 1 4 . 1 1 14 14 PRO HA H 14 4.253 4.253 4.402 -0.149 18411 2603 1 4 . 1 1 14 14 PRO C C 14 176.066 176.066 176.100 -0.034 18411 2604 1 4 . 1 1 14 14 PRO CA C 14 63.478 63.478 62.751 0.727 18411 2605 1 4 . 1 1 14 14 PRO CB C 14 32.987 32.987 32.011 0.976 18411 2606 1 4 . 1 1 15 15 ASP N N 15 123.075 123.075 119.710 3.365 18411 2607 1 4 . 1 1 15 15 ASP HA H 15 4.700 4.700 4.536 0.164 18411 2608 1 4 . 1 1 15 15 ASP C C 15 176.067 176.067 175.729 0.338 18411 2609 1 4 . 1 1 15 15 ASP CA C 15 53.628 53.628 53.776 -0.148 18411 2610 1 4 . 1 1 15 15 ASP CB C 15 41.613 41.613 43.418 -1.805 18411 2611 1 4 . 1 1 15 15 ASP H H 15 8.373 8.373 8.357 0.016 18411 2612 1 4 . 1 1 16 16 PHE N N 16 114.256 114.256 113.107 1.149 18411 2613 1 4 . 1 1 16 16 PHE HA H 16 4.869 4.869 4.839 0.030 18411 2614 1 4 . 1 1 16 16 PHE C C 16 173.028 173.028 173.498 -0.470 18411 2615 1 4 . 1 1 16 16 PHE CA C 16 56.721 56.721 56.821 -0.099 18411 2616 1 4 . 1 1 16 16 PHE CB C 16 40.560 40.560 39.895 0.665 18411 2617 1 4 . 1 1 16 16 PHE H H 16 7.950 7.950 7.979 -0.029 18411 2618 1 4 . 1 1 17 17 THR N N 17 116.459 116.459 117.002 -0.543 18411 2619 1 4 . 1 1 17 17 THR HA H 17 5.244 5.244 5.257 -0.013 18411 2620 1 4 . 1 1 17 17 THR C C 17 172.722 172.722 173.717 -0.995 18411 2621 1 4 . 1 1 17 17 THR CA C 17 62.061 62.061 61.615 0.446 18411 2622 1 4 . 1 1 17 17 THR CB C 17 70.882 70.882 69.585 1.298 18411 2623 1 4 . 1 1 17 17 THR H H 17 8.596 8.596 8.578 0.018 18411 2624 1 4 . 1 1 18 18 ILE N N 18 128.165 128.165 127.676 0.489 18411 2625 1 4 . 1 1 18 18 ILE HA H 18 4.995 4.995 4.572 0.423 18411 2626 1 4 . 1 1 18 18 ILE C C 18 172.309 172.309 174.059 -1.750 18411 2627 1 4 . 1 1 18 18 ILE CA C 18 59.123 59.123 59.474 -0.351 18411 2628 1 4 . 1 1 18 18 ILE CB C 18 43.984 43.984 41.459 2.525 18411 2629 1 4 . 1 1 18 18 ILE H H 18 9.574 9.574 9.057 0.517 18411 2630 1 4 . 1 1 19 19 THR N N 19 124.473 124.473 124.779 -0.306 18411 2631 1 4 . 1 1 19 19 THR HA H 19 4.821 4.821 4.717 0.104 18411 2632 1 4 . 1 1 19 19 THR C C 19 174.104 174.104 174.394 -0.290 18411 2633 1 4 . 1 1 19 19 THR CA C 19 62.316 62.316 62.461 -0.145 18411 2634 1 4 . 1 1 19 19 THR CB C 19 69.287 69.287 69.148 0.139 18411 2635 1 4 . 1 1 19 19 THR H H 19 9.081 9.081 8.773 0.308 18411 2636 1 4 . 1 1 20 20 LEU N N 20 125.167 125.167 127.416 -2.249 18411 2637 1 4 . 1 1 20 20 LEU HA H 20 5.082 5.082 4.860 0.222 18411 2638 1 4 . 1 1 20 20 LEU C C 20 181.023 181.023 179.452 1.571 18411 2639 1 4 . 1 1 20 20 LEU CA C 20 54.191 54.191 54.585 -0.394 18411 2640 1 4 . 1 1 20 20 LEU CB C 20 42.219 42.219 42.945 -0.726 18411 2641 1 4 . 1 1 20 20 LEU H H 20 9.227 9.227 8.990 0.237 18411 2642 1 4 . 1 1 21 21 THR N N 21 109.887 109.887 113.443 -3.556 18411 2643 1 4 . 1 1 21 21 THR HA H 21 3.831 3.831 4.045 -0.214 18411 2644 1 4 . 1 1 21 21 THR C C 21 174.716 174.716 175.389 -0.673 18411 2645 1 4 . 1 1 21 21 THR CA C 21 64.992 64.992 65.741 -0.749 18411 2646 1 4 . 1 1 21 21 THR CB C 21 68.529 68.529 68.571 -0.042 18411 2647 1 4 . 1 1 21 21 THR H H 21 8.603 8.603 8.715 -0.112 18411 2648 1 4 . 1 1 22 22 ASP N N 22 117.311 117.311 119.382 -2.071 18411 2649 1 4 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.529 0.065 18411 2650 1 4 . 1 1 22 22 ASP C C 22 177.771 177.771 177.356 0.415 18411 2651 1 4 . 1 1 22 22 ASP CA C 22 53.173 53.173 54.321 -1.148 18411 2652 1 4 . 1 1 22 22 ASP CB C 22 40.449 40.449 41.108 -0.658 18411 2653 1 4 . 1 1 22 22 ASP H H 22 7.530 7.530 8.275 -0.745 18411 2654 1 4 . 1 1 23 23 GLY N N 23 108.847 108.847 108.696 0.151 18411 2655 1 4 . 1 1 23 23 GLY C C 23 174.806 174.806 173.956 0.850 18411 2656 1 4 . 1 1 23 23 GLY CA C 23 45.028 45.028 44.985 0.043 18411 2657 1 4 . 1 1 23 23 GLY H H 23 8.203 8.203 7.764 0.439 18411 2658 1 4 . 1 1 24 24 LYS N N 24 122.092 122.092 121.614 0.478 18411 2659 1 4 . 1 1 24 24 LYS HA H 24 4.267 4.267 4.266 0.001 18411 2660 1 4 . 1 1 24 24 LYS C C 24 175.350 175.350 175.919 -0.569 18411 2661 1 4 . 1 1 24 24 LYS CA C 24 57.060 57.060 55.883 1.177 18411 2662 1 4 . 1 1 24 24 LYS CB C 24 33.271 33.271 31.573 1.698 18411 2663 1 4 . 1 1 24 24 LYS H H 24 7.881 7.881 8.178 -0.297 18411 2664 1 4 . 1 1 25 25 GLN N N 25 119.585 119.585 125.139 -5.554 18411 2665 1 4 . 1 1 25 25 GLN HA H 25 5.561 5.561 5.124 0.437 18411 2666 1 4 . 1 1 25 25 GLN C C 25 176.631 176.631 175.740 0.891 18411 2667 1 4 . 1 1 25 25 GLN CA C 25 54.572 54.572 55.392 -0.820 18411 2668 1 4 . 1 1 25 25 GLN CB C 25 31.621 31.621 29.396 2.225 18411 2669 1 4 . 1 1 25 25 GLN H H 25 8.365 8.365 8.660 -0.295 18411 2670 1 4 . 1 1 26 26 VAL N N 26 123.115 123.115 121.111 2.004 18411 2671 1 4 . 1 1 26 26 VAL HA H 26 4.466 4.466 4.639 -0.173 18411 2672 1 4 . 1 1 26 26 VAL C C 26 174.390 174.390 174.570 -0.180 18411 2673 1 4 . 1 1 26 26 VAL CA C 26 61.142 61.142 59.150 1.992 18411 2674 1 4 . 1 1 26 26 VAL CB C 26 35.962 35.962 34.400 1.562 18411 2675 1 4 . 1 1 26 26 VAL H H 26 9.069 9.069 9.067 0.002 18411 2676 1 4 . 1 1 27 27 THR N N 27 122.509 122.509 118.649 3.860 18411 2677 1 4 . 1 1 27 27 THR HA H 27 5.437 5.437 5.137 0.300 18411 2678 1 4 . 1 1 27 27 THR C C 27 176.330 176.330 175.876 0.454 18411 2679 1 4 . 1 1 27 27 THR CA C 27 60.068 60.068 60.829 -0.761 18411 2680 1 4 . 1 1 27 27 THR CB C 27 70.655 70.655 70.094 0.561 18411 2681 1 4 . 1 1 27 27 THR H H 27 8.256 8.256 8.423 -0.167 18411 2682 1 4 . 1 1 28 28 LEU N N 28 131.816 131.816 125.240 6.576 18411 2683 1 4 . 1 1 28 28 LEU HA H 28 3.607 3.607 3.962 -0.355 18411 2684 1 4 . 1 1 28 28 LEU C C 28 180.093 180.093 177.927 2.166 18411 2685 1 4 . 1 1 28 28 LEU CA C 28 59.264 59.264 56.492 2.772 18411 2686 1 4 . 1 1 28 28 LEU CB C 28 39.396 39.396 40.822 -1.426 18411 2687 1 4 . 1 1 28 28 LEU H H 28 8.311 8.311 8.207 0.104 18411 2688 1 4 . 1 1 29 29 SER N N 29 114.727 114.727 115.217 -0.490 18411 2689 1 4 . 1 1 29 29 SER HA H 29 4.003 4.003 4.211 -0.208 18411 2690 1 4 . 1 1 29 29 SER C C 29 177.762 177.762 176.833 0.929 18411 2691 1 4 . 1 1 29 29 SER CA C 29 60.896 60.896 61.048 -0.152 18411 2692 1 4 . 1 1 29 29 SER CB C 29 61.091 61.091 62.520 -1.429 18411 2693 1 4 . 1 1 29 29 SER H H 29 9.491 9.491 8.104 1.387 18411 2694 1 4 . 1 1 30 30 SER N N 30 119.100 119.100 116.863 2.237 18411 2695 1 4 . 1 1 30 30 SER HA H 30 4.476 4.476 4.351 0.125 18411 2696 1 4 . 1 1 30 30 SER C C 30 175.104 175.104 175.079 0.025 18411 2697 1 4 . 1 1 30 30 SER CA C 30 60.661 60.661 60.014 0.647 18411 2698 1 4 . 1 1 30 30 SER CB C 30 63.174 63.174 63.299 -0.125 18411 2699 1 4 . 1 1 30 30 SER H H 30 7.878 7.878 7.704 0.174 18411 2700 1 4 . 1 1 31 31 LEU N N 31 121.415 121.415 119.481 1.934 18411 2701 1 4 . 1 1 31 31 LEU HA H 31 4.258 4.258 4.433 -0.175 18411 2702 1 4 . 1 1 31 31 LEU C C 31 175.710 175.710 176.006 -0.296 18411 2703 1 4 . 1 1 31 31 LEU CA C 31 53.804 53.804 53.806 -0.002 18411 2704 1 4 . 1 1 31 31 LEU CB C 31 41.285 41.285 42.443 -1.158 18411 2705 1 4 . 1 1 31 31 LEU H H 31 8.026 8.026 7.461 0.565 18411 2706 1 4 . 1 1 32 32 ARG N N 32 119.061 119.061 120.611 -1.550 18411 2707 1 4 . 1 1 32 32 ARG HA H 32 4.411 4.411 4.115 0.296 18411 2708 1 4 . 1 1 32 32 ARG C C 32 177.585 177.585 176.956 0.629 18411 2709 1 4 . 1 1 32 32 ARG CA C 32 57.590 57.590 56.853 0.737 18411 2710 1 4 . 1 1 32 32 ARG CB C 32 29.497 29.497 28.653 0.844 18411 2711 1 4 . 1 1 32 32 ARG H H 32 6.788 6.788 7.165 -0.377 18411 2712 1 4 . 1 1 33 33 GLY N N 33 114.033 114.033 113.330 0.703 18411 2713 1 4 . 1 1 33 33 GLY C C 33 173.456 173.456 173.419 0.037 18411 2714 1 4 . 1 1 33 33 GLY CA C 33 44.684 44.684 44.962 -0.278 18411 2715 1 4 . 1 1 33 33 GLY H H 33 9.120 9.120 8.709 0.411 18411 2716 1 4 . 1 1 34 34 LYS N N 34 120.270 120.270 120.303 -0.033 18411 2717 1 4 . 1 1 34 34 LYS HA H 34 4.606 4.606 5.548 -0.942 18411 2718 1 4 . 1 1 34 34 LYS C C 34 175.350 175.350 177.065 -1.715 18411 2719 1 4 . 1 1 34 34 LYS CA C 34 54.786 54.786 54.113 0.673 18411 2720 1 4 . 1 1 34 34 LYS CB C 34 34.125 34.125 36.403 -2.278 18411 2721 1 4 . 1 1 34 34 LYS H H 34 8.146 8.146 7.855 0.291 18411 2722 1 4 . 1 1 35 35 VAL N N 35 122.059 122.059 119.418 2.641 18411 2723 1 4 . 1 1 35 35 VAL HA H 35 4.020 4.020 4.337 -0.317 18411 2724 1 4 . 1 1 35 35 VAL C C 35 174.699 174.699 174.570 0.129 18411 2725 1 4 . 1 1 35 35 VAL CA C 35 63.108 63.108 62.375 0.733 18411 2726 1 4 . 1 1 35 35 VAL CB C 35 33.022 33.022 31.687 1.335 18411 2727 1 4 . 1 1 35 35 VAL H H 35 8.757 8.757 9.059 -0.302 18411 2728 1 4 . 1 1 36 36 VAL N N 36 125.815 125.815 127.675 -1.860 18411 2729 1 4 . 1 1 36 36 VAL HA H 36 4.856 4.856 4.436 0.420 18411 2730 1 4 . 1 1 36 36 VAL C C 36 174.622 174.622 174.489 0.133 18411 2731 1 4 . 1 1 36 36 VAL CA C 36 60.078 60.078 61.210 -1.132 18411 2732 1 4 . 1 1 36 36 VAL CB C 36 35.605 35.605 32.725 2.880 18411 2733 1 4 . 1 1 36 36 VAL H H 36 8.485 8.485 9.088 -0.603 18411 2734 1 4 . 1 1 37 37 MET N N 37 126.478 126.478 128.483 -2.005 18411 2735 1 4 . 1 1 37 37 MET HA H 37 5.383 5.383 4.755 0.628 18411 2736 1 4 . 1 1 37 37 MET C C 37 173.473 173.473 173.676 -0.203 18411 2737 1 4 . 1 1 37 37 MET CA C 37 53.661 53.661 54.618 -0.957 18411 2738 1 4 . 1 1 37 37 MET CB C 37 35.948 35.948 34.049 1.899 18411 2739 1 4 . 1 1 37 37 MET H H 37 8.694 8.694 8.975 -0.281 18411 2740 1 4 . 1 1 38 38 LEU N N 38 124.275 124.275 128.498 -4.223 18411 2741 1 4 . 1 1 38 38 LEU HA H 38 5.100 5.100 5.091 0.009 18411 2742 1 4 . 1 1 38 38 LEU C C 38 175.828 175.828 174.892 0.936 18411 2743 1 4 . 1 1 38 38 LEU CA C 38 52.144 52.144 53.255 -1.111 18411 2744 1 4 . 1 1 38 38 LEU CB C 38 42.898 42.898 43.950 -1.052 18411 2745 1 4 . 1 1 38 38 LEU H H 38 9.181 9.181 9.053 0.128 18411 2746 1 4 . 1 1 39 39 GLN N N 39 124.390 124.390 122.269 2.121 18411 2747 1 4 . 1 1 39 39 GLN HA H 39 5.369 5.369 4.883 0.486 18411 2748 1 4 . 1 1 39 39 GLN C C 39 175.696 175.696 174.909 0.787 18411 2749 1 4 . 1 1 39 39 GLN CA C 39 54.025 54.025 53.674 0.351 18411 2750 1 4 . 1 1 39 39 GLN CB C 39 28.735 28.735 30.002 -1.267 18411 2751 1 4 . 1 1 39 39 GLN H H 39 8.325 8.325 8.400 -0.075 18411 2752 1 4 . 1 1 40 40 PHE N N 40 128.800 128.800 126.883 1.917 18411 2753 1 4 . 1 1 40 40 PHE HA H 40 5.182 5.182 5.347 -0.165 18411 2754 1 4 . 1 1 40 40 PHE C C 40 175.432 175.432 175.717 -0.285 18411 2755 1 4 . 1 1 40 40 PHE CA C 40 59.370 59.370 58.356 1.014 18411 2756 1 4 . 1 1 40 40 PHE CB C 40 39.256 39.256 38.875 0.381 18411 2757 1 4 . 1 1 40 40 PHE H H 40 8.899 8.899 9.391 -0.492 18411 2758 1 4 . 1 1 41 41 THR N N 41 117.616 117.616 117.523 0.093 18411 2759 1 4 . 1 1 41 41 THR HA H 41 5.274 5.274 4.718 0.556 18411 2760 1 4 . 1 1 41 41 THR C C 41 170.795 170.795 172.120 -1.325 18411 2761 1 4 . 1 1 41 41 THR CA C 41 59.448 59.448 59.074 0.374 18411 2762 1 4 . 1 1 41 41 THR CB C 41 70.892 70.892 70.950 -0.058 18411 2763 1 4 . 1 1 41 41 THR H H 41 8.589 8.589 9.151 -0.562 18411 2764 1 4 . 1 1 42 42 ALA N N 42 122.005 122.005 121.134 0.871 18411 2765 1 4 . 1 1 42 42 ALA HA H 42 4.162 4.162 4.664 -0.502 18411 2766 1 4 . 1 1 42 42 ALA C C 42 177.618 177.618 177.272 0.346 18411 2767 1 4 . 1 1 42 42 ALA CA C 42 52.454 52.454 50.410 2.044 18411 2768 1 4 . 1 1 42 42 ALA CB C 42 20.704 20.704 20.454 0.249 18411 2769 1 4 . 1 1 42 42 ALA H H 42 7.201 7.201 7.691 -0.490 18411 2770 1 4 . 1 1 43 43 SER N N 43 117.426 117.426 117.813 -0.387 18411 2771 1 4 . 1 1 43 43 SER HA H 43 1.542 1.542 2.528 -0.986 18411 2772 1 4 . 1 1 43 43 SER C C 43 174.845 174.845 174.481 0.364 18411 2773 1 4 . 1 1 43 43 SER CA C 43 60.202 60.202 59.932 0.270 18411 2774 1 4 . 1 1 43 43 SER CB C 43 63.040 63.040 63.332 -0.292 18411 2775 1 4 . 1 1 43 43 SER H H 43 9.472 9.472 8.936 0.536 18411 2776 1 4 . 1 1 44 44 TRP N N 44 116.512 116.512 116.200 0.312 18411 2777 1 4 . 1 1 44 44 TRP HA H 44 4.495 4.495 4.983 -0.488 18411 2778 1 4 . 1 1 44 44 TRP C C 44 176.297 176.297 174.782 1.515 18411 2779 1 4 . 1 1 44 44 TRP CA C 44 53.405 53.405 54.227 -0.822 18411 2780 1 4 . 1 1 44 44 TRP CB C 44 29.450 29.450 28.914 0.536 18411 2781 1 4 . 1 1 44 44 TRP H H 44 6.345 6.345 6.894 -0.549 18411 2782 1 4 . 1 1 45 45 CYS N N 45 125.015 125.015 120.588 4.427 18411 2783 1 4 . 1 1 45 45 CYS HA H 45 4.501 4.501 4.505 -0.004 18411 2784 1 4 . 1 1 45 45 CYS C C 45 176.409 176.409 175.373 1.036 18411 2785 1 4 . 1 1 45 45 CYS CA C 45 58.904 58.904 58.595 0.309 18411 2786 1 4 . 1 1 45 45 CYS CB C 45 28.203 28.203 29.534 -1.331 18411 2787 1 4 . 1 1 45 45 CYS H H 45 6.982 6.982 6.970 0.012 18411 2788 1 4 . 1 1 46 46 GLY CA C 46 47.225 47.225 45.885 1.340 18411 2789 1 4 . 1 1 47 47 VAL HA H 47 3.804 3.804 3.759 0.045 18411 2790 1 4 . 1 1 47 47 VAL CA C 47 66.661 66.661 65.279 1.382 18411 2791 1 4 . 1 1 47 47 VAL CB C 47 31.506 31.506 31.103 0.403 18411 2792 1 4 . 1 1 48 48 CYS HA H 48 3.875 3.875 4.551 -0.676 18411 2793 1 4 . 1 1 48 48 CYS C C 48 177.961 177.961 176.311 1.650 18411 2794 1 4 . 1 1 48 48 CYS CA C 48 65.053 65.053 60.945 4.108 18411 2795 1 4 . 1 1 48 48 CYS CB C 48 28.741 28.741 25.766 2.975 18411 2796 1 4 . 1 1 49 49 ARG N N 49 115.039 115.039 117.606 -2.567 18411 2797 1 4 . 1 1 49 49 ARG HA H 49 3.898 3.898 4.131 -0.233 18411 2798 1 4 . 1 1 49 49 ARG C C 49 177.871 177.871 177.059 0.812 18411 2799 1 4 . 1 1 49 49 ARG CA C 49 59.837 59.837 57.983 1.854 18411 2800 1 4 . 1 1 49 49 ARG CB C 49 30.585 30.585 29.600 0.985 18411 2801 1 4 . 1 1 49 49 ARG H H 49 7.658 7.658 7.691 -0.033 18411 2802 1 4 . 1 1 50 50 LYS N N 50 117.909 117.909 118.311 -0.402 18411 2803 1 4 . 1 1 50 50 LYS HA H 50 4.098 4.098 4.073 0.025 18411 2804 1 4 . 1 1 50 50 LYS C C 50 177.723 177.723 177.832 -0.109 18411 2805 1 4 . 1 1 50 50 LYS CA C 50 58.198 58.198 58.554 -0.356 18411 2806 1 4 . 1 1 50 50 LYS CB C 50 32.803 32.803 32.661 0.142 18411 2807 1 4 . 1 1 50 50 LYS H H 50 7.385 7.385 7.659 -0.274 18411 2808 1 4 . 1 1 51 51 GLU N N 51 117.196 117.196 119.890 -2.694 18411 2809 1 4 . 1 1 51 51 GLU HA H 51 3.453 3.453 3.798 -0.345 18411 2810 1 4 . 1 1 51 51 GLU C C 51 179.194 179.194 179.077 0.117 18411 2811 1 4 . 1 1 51 51 GLU CA C 51 57.754 57.754 59.113 -1.359 18411 2812 1 4 . 1 1 51 51 GLU CB C 51 29.825 29.825 29.130 0.695 18411 2813 1 4 . 1 1 51 51 GLU H H 51 7.764 7.764 7.398 0.366 18411 2814 1 4 . 1 1 52 52 MET N N 52 118.785 118.785 119.309 -0.524 18411 2815 1 4 . 1 1 52 52 MET HA H 52 3.979 3.979 4.782 -0.803 18411 2816 1 4 . 1 1 52 52 MET C C 52 174.346 174.346 176.463 -2.117 18411 2817 1 4 . 1 1 52 52 MET CA C 52 62.384 62.384 58.922 3.462 18411 2818 1 4 . 1 1 52 52 MET CB C 52 32.805 32.805 29.545 3.260 18411 2819 1 4 . 1 1 52 52 MET H H 52 8.100 8.100 8.356 -0.256 18411 2820 1 4 . 1 1 53 53 PRO HA H 53 4.299 4.299 4.302 -0.003 18411 2821 1 4 . 1 1 53 53 PRO C C 53 179.242 179.242 179.735 -0.493 18411 2822 1 4 . 1 1 53 53 PRO CA C 53 65.708 65.708 66.120 -0.412 18411 2823 1 4 . 1 1 53 53 PRO CB C 53 31.570 31.570 31.457 0.112 18411 2824 1 4 . 1 1 54 54 PHE N N 54 116.067 116.067 117.560 -1.493 18411 2825 1 4 . 1 1 54 54 PHE HA H 54 4.372 4.372 4.268 0.104 18411 2826 1 4 . 1 1 54 54 PHE C C 54 178.283 178.283 178.163 0.120 18411 2827 1 4 . 1 1 54 54 PHE CA C 54 61.249 61.249 63.036 -1.787 18411 2828 1 4 . 1 1 54 54 PHE CB C 54 38.366 38.366 38.568 -0.202 18411 2829 1 4 . 1 1 54 54 PHE H H 54 7.251 7.251 7.915 -0.664 18411 2830 1 4 . 1 1 55 55 ILE N N 55 122.051 122.051 120.018 2.033 18411 2831 1 4 . 1 1 55 55 ILE HA H 55 3.746 3.746 3.939 -0.193 18411 2832 1 4 . 1 1 55 55 ILE C C 55 179.005 179.005 178.105 0.900 18411 2833 1 4 . 1 1 55 55 ILE CA C 55 66.678 66.678 66.172 0.506 18411 2834 1 4 . 1 1 55 55 ILE CB C 55 37.449 37.449 37.868 -0.419 18411 2835 1 4 . 1 1 55 55 ILE H H 55 7.935 7.935 9.153 -1.218 18411 2836 1 4 . 1 1 56 56 GLU N N 56 120.941 120.941 120.187 0.754 18411 2837 1 4 . 1 1 56 56 GLU HA H 56 4.578 4.578 4.324 0.254 18411 2838 1 4 . 1 1 56 56 GLU C C 56 177.034 177.034 178.596 -1.562 18411 2839 1 4 . 1 1 56 56 GLU CA C 56 59.607 59.607 59.969 -0.362 18411 2840 1 4 . 1 1 56 56 GLU CB C 56 29.640 29.640 29.319 0.321 18411 2841 1 4 . 1 1 56 56 GLU H H 56 8.657 8.657 8.367 0.290 18411 2842 1 4 . 1 1 57 57 LYS N N 57 114.712 114.712 118.650 -3.938 18411 2843 1 4 . 1 1 57 57 LYS HA H 57 4.165 4.165 4.121 0.044 18411 2844 1 4 . 1 1 57 57 LYS C C 57 177.831 177.831 178.801 -0.970 18411 2845 1 4 . 1 1 57 57 LYS CA C 57 59.905 59.905 59.249 0.655 18411 2846 1 4 . 1 1 57 57 LYS CB C 57 33.873 33.873 32.552 1.321 18411 2847 1 4 . 1 1 57 57 LYS H H 57 7.719 7.719 8.018 -0.299 18411 2848 1 4 . 1 1 58 58 ASP N N 58 114.953 114.953 116.111 -1.158 18411 2849 1 4 . 1 1 58 58 ASP HA H 58 4.843 4.843 4.788 0.055 18411 2850 1 4 . 1 1 58 58 ASP C C 58 176.515 176.515 178.264 -1.749 18411 2851 1 4 . 1 1 58 58 ASP CA C 58 56.125 56.125 55.734 0.391 18411 2852 1 4 . 1 1 58 58 ASP CB C 58 42.087 42.087 42.279 -0.192 18411 2853 1 4 . 1 1 58 58 ASP H H 58 8.783 8.783 8.558 0.225 18411 2854 1 4 . 1 1 59 59 ILE N N 59 115.807 115.807 121.223 -5.416 18411 2855 1 4 . 1 1 59 59 ILE HA H 59 4.268 4.268 4.120 0.148 18411 2856 1 4 . 1 1 59 59 ILE C C 59 176.369 176.369 176.772 -0.403 18411 2857 1 4 . 1 1 59 59 ILE CA C 59 63.757 63.757 63.463 0.294 18411 2858 1 4 . 1 1 59 59 ILE CB C 59 40.396 40.396 39.294 1.101 18411 2859 1 4 . 1 1 59 59 ILE H H 59 7.455 7.455 8.099 -0.644 18411 2860 1 4 . 1 1 60 60 TRP N N 60 120.937 120.937 122.307 -1.370 18411 2861 1 4 . 1 1 60 60 TRP HA H 60 4.727 4.727 4.362 0.365 18411 2862 1 4 . 1 1 60 60 TRP C C 60 177.428 177.428 178.392 -0.964 18411 2863 1 4 . 1 1 60 60 TRP CA C 60 60.644 60.644 60.742 -0.098 18411 2864 1 4 . 1 1 60 60 TRP CB C 60 30.907 30.907 30.407 0.500 18411 2865 1 4 . 1 1 60 60 TRP H H 60 9.012 9.012 8.703 0.309 18411 2866 1 4 . 1 1 61 61 LEU N N 61 113.624 113.624 119.070 -5.446 18411 2867 1 4 . 1 1 61 61 LEU HA H 61 3.572 3.572 3.841 -0.270 18411 2868 1 4 . 1 1 61 61 LEU C C 61 179.473 179.473 179.228 0.245 18411 2869 1 4 . 1 1 61 61 LEU CA C 61 57.569 57.569 58.186 -0.617 18411 2870 1 4 . 1 1 61 61 LEU CB C 61 41.040 41.040 41.201 -0.161 18411 2871 1 4 . 1 1 61 61 LEU H H 61 9.210 9.210 8.765 0.445 18411 2872 1 4 . 1 1 62 62 LYS N N 62 112.991 112.991 115.414 -2.423 18411 2873 1 4 . 1 1 62 62 LYS HA H 62 3.889 3.889 3.933 -0.044 18411 2874 1 4 . 1 1 62 62 LYS C C 62 178.111 178.111 177.242 0.869 18411 2875 1 4 . 1 1 62 62 LYS CA C 62 56.667 56.667 58.141 -1.474 18411 2876 1 4 . 1 1 62 62 LYS CB C 62 31.651 31.651 31.652 -0.001 18411 2877 1 4 . 1 1 62 62 LYS H H 62 6.216 6.216 8.324 -2.108 18411 2878 1 4 . 1 1 63 63 HIS N N 63 114.656 114.656 114.782 -0.126 18411 2879 1 4 . 1 1 63 63 HIS HA H 63 4.943 4.943 4.563 0.380 18411 2880 1 4 . 1 1 63 63 HIS C C 63 177.057 177.057 174.768 2.289 18411 2881 1 4 . 1 1 63 63 HIS CA C 63 56.133 56.133 56.091 0.042 18411 2882 1 4 . 1 1 63 63 HIS CB C 63 33.235 33.235 32.477 0.758 18411 2883 1 4 . 1 1 63 63 HIS H H 63 7.067 7.067 7.535 -0.468 18411 2884 1 4 . 1 1 64 64 LYS N N 64 119.155 119.155 117.520 1.635 18411 2885 1 4 . 1 1 64 64 LYS HA H 64 3.513 3.513 2.155 1.358 18411 2886 1 4 . 1 1 64 64 LYS C C 64 177.074 177.074 176.667 0.407 18411 2887 1 4 . 1 1 64 64 LYS CA C 64 59.166 59.166 58.615 0.551 18411 2888 1 4 . 1 1 64 64 LYS CB C 64 28.740 28.740 30.146 -1.406 18411 2889 1 4 . 1 1 64 64 LYS H H 64 8.114 8.114 8.227 -0.113 18411 2890 1 4 . 1 1 65 65 ASP N N 65 117.882 117.882 118.797 -0.915 18411 2891 1 4 . 1 1 65 65 ASP HA H 65 4.714 4.714 4.936 -0.222 18411 2892 1 4 . 1 1 65 65 ASP C C 65 175.195 175.195 177.995 -2.800 18411 2893 1 4 . 1 1 65 65 ASP CA C 65 54.204 54.204 54.400 -0.196 18411 2894 1 4 . 1 1 65 65 ASP CB C 65 40.564 40.564 43.546 -2.982 18411 2895 1 4 . 1 1 65 65 ASP H H 65 7.963 7.963 7.999 -0.036 18411 2896 1 4 . 1 1 66 66 ASN N N 66 122.091 122.091 117.776 4.315 18411 2897 1 4 . 1 1 66 66 ASN HA H 66 4.659 4.659 4.240 0.419 18411 2898 1 4 . 1 1 66 66 ASN C C 66 176.046 176.046 174.505 1.541 18411 2899 1 4 . 1 1 66 66 ASN CA C 66 52.799 52.799 56.228 -3.429 18411 2900 1 4 . 1 1 66 66 ASN CB C 66 39.054 39.054 37.379 1.675 18411 2901 1 4 . 1 1 66 66 ASN H H 66 8.184 8.184 8.214 -0.030 18411 2902 1 4 . 1 1 67 67 ALA N N 67 128.893 128.893 120.143 8.750 18411 2903 1 4 . 1 1 67 67 ALA HA H 67 4.295 4.295 4.187 0.108 18411 2904 1 4 . 1 1 67 67 ALA C C 67 177.886 177.886 175.784 2.102 18411 2905 1 4 . 1 1 67 67 ALA CA C 67 54.049 54.049 52.610 1.439 18411 2906 1 4 . 1 1 67 67 ALA CB C 67 18.549 18.549 20.081 -1.532 18411 2907 1 4 . 1 1 67 67 ALA H H 67 8.806 8.806 8.336 0.470 18411 2908 1 4 . 1 1 68 68 ASP N N 68 116.612 116.612 119.374 -2.762 18411 2909 1 4 . 1 1 68 68 ASP HA H 68 4.823 4.823 5.033 -0.210 18411 2910 1 4 . 1 1 68 68 ASP C C 68 173.310 173.310 174.398 -1.088 18411 2911 1 4 . 1 1 68 68 ASP CA C 68 54.202 54.202 53.969 0.233 18411 2912 1 4 . 1 1 68 68 ASP CB C 68 40.892 40.892 43.294 -2.402 18411 2913 1 4 . 1 1 68 68 ASP H H 68 8.759 8.759 8.070 0.689 18411 2914 1 4 . 1 1 69 69 PHE N N 69 119.640 119.640 121.509 -1.869 18411 2915 1 4 . 1 1 69 69 PHE HA H 69 5.741 5.741 5.408 0.333 18411 2916 1 4 . 1 1 69 69 PHE C C 69 173.860 173.860 172.966 0.894 18411 2917 1 4 . 1 1 69 69 PHE CA C 69 56.192 56.192 56.058 0.134 18411 2918 1 4 . 1 1 69 69 PHE CB C 69 43.496 43.496 43.193 0.303 18411 2919 1 4 . 1 1 69 69 PHE H H 69 7.912 7.912 8.285 -0.373 18411 2920 1 4 . 1 1 70 70 ALA N N 70 130.226 130.226 127.435 2.791 18411 2921 1 4 . 1 1 70 70 ALA HA H 70 4.321 4.321 4.817 -0.496 18411 2922 1 4 . 1 1 70 70 ALA C C 70 171.945 171.945 174.249 -2.304 18411 2923 1 4 . 1 1 70 70 ALA CA C 70 51.573 51.573 50.933 0.640 18411 2924 1 4 . 1 1 70 70 ALA CB C 70 23.273 23.273 22.817 0.456 18411 2925 1 4 . 1 1 70 70 ALA H H 70 8.298 8.298 8.507 -0.209 18411 2926 1 4 . 1 1 71 71 LEU N N 71 122.090 122.090 123.417 -1.327 18411 2927 1 4 . 1 1 71 71 LEU HA H 71 5.120 5.120 5.346 -0.226 18411 2928 1 4 . 1 1 71 71 LEU C C 71 174.836 174.836 175.217 -0.381 18411 2929 1 4 . 1 1 71 71 LEU CA C 71 53.348 53.348 54.068 -0.720 18411 2930 1 4 . 1 1 71 71 LEU CB C 71 46.617 46.617 45.621 0.996 18411 2931 1 4 . 1 1 71 71 LEU H H 71 7.217 7.217 8.589 -1.372 18411 2932 1 4 . 1 1 72 72 ILE N N 72 123.189 123.189 124.681 -1.492 18411 2933 1 4 . 1 1 72 72 ILE HA H 72 4.336 4.336 4.700 -0.364 18411 2934 1 4 . 1 1 72 72 ILE C C 72 175.377 175.377 174.864 0.513 18411 2935 1 4 . 1 1 72 72 ILE CA C 72 60.236 60.236 59.823 0.413 18411 2936 1 4 . 1 1 72 72 ILE CB C 72 42.355 42.355 41.435 0.920 18411 2937 1 4 . 1 1 72 72 ILE H H 72 8.211 8.211 9.103 -0.892 18411 2938 1 4 . 1 1 73 73 GLY N N 73 114.189 114.189 115.126 -0.937 18411 2939 1 4 . 1 1 73 73 GLY C C 73 172.626 172.626 172.867 -0.241 18411 2940 1 4 . 1 1 73 73 GLY CA C 73 44.213 44.213 44.089 0.124 18411 2941 1 4 . 1 1 73 73 GLY H H 73 9.202 9.202 8.629 0.573 18411 2942 1 4 . 1 1 74 74 ILE N N 74 126.577 126.577 126.578 -0.001 18411 2943 1 4 . 1 1 74 74 ILE HA H 74 3.873 3.873 4.893 -1.020 18411 2944 1 4 . 1 1 74 74 ILE C C 74 174.792 174.792 174.537 0.255 18411 2945 1 4 . 1 1 74 74 ILE CA C 74 61.660 61.660 60.099 1.561 18411 2946 1 4 . 1 1 74 74 ILE CB C 74 37.394 37.394 40.599 -3.205 18411 2947 1 4 . 1 1 74 74 ILE H H 74 9.279 9.279 9.192 0.087 18411 2948 1 4 . 1 1 75 75 ASP N N 75 129.040 129.040 128.279 0.761 18411 2949 1 4 . 1 1 75 75 ASP HA H 75 5.213 5.213 5.032 0.181 18411 2950 1 4 . 1 1 75 75 ASP C C 75 175.696 175.696 176.699 -1.003 18411 2951 1 4 . 1 1 75 75 ASP CA C 75 52.425 52.425 54.198 -1.773 18411 2952 1 4 . 1 1 75 75 ASP CB C 75 41.673 41.673 42.654 -0.981 18411 2953 1 4 . 1 1 75 75 ASP H H 75 8.592 8.592 8.304 0.288 18411 2954 1 4 . 1 1 76 76 ARG N N 76 128.762 128.762 127.302 1.460 18411 2955 1 4 . 1 1 76 76 ARG HA H 76 4.346 4.346 4.218 0.128 18411 2956 1 4 . 1 1 76 76 ARG C C 76 174.562 174.562 175.953 -1.391 18411 2957 1 4 . 1 1 76 76 ARG CA C 76 58.885 58.885 57.752 1.133 18411 2958 1 4 . 1 1 76 76 ARG CB C 76 32.732 32.732 30.156 2.576 18411 2959 1 4 . 1 1 76 76 ARG H H 76 8.842 8.842 8.582 0.260 18411 2960 1 4 . 1 1 77 77 ASP N N 77 128.451 128.451 115.958 12.493 18411 2961 1 4 . 1 1 77 77 ASP HA H 77 4.473 4.473 5.052 -0.579 18411 2962 1 4 . 1 1 77 77 ASP C C 77 173.969 173.969 176.016 -2.047 18411 2963 1 4 . 1 1 77 77 ASP CA C 77 56.139 56.139 54.712 1.427 18411 2964 1 4 . 1 1 77 77 ASP CB C 77 42.541 42.541 43.354 -0.813 18411 2965 1 4 . 1 1 77 77 ASP H H 77 8.256 8.256 8.557 -0.301 18411 2966 1 4 . 1 1 78 78 GLU N N 78 114.796 114.796 120.936 -6.140 18411 2967 1 4 . 1 1 78 78 GLU HA H 78 5.060 5.060 4.806 0.254 18411 2968 1 4 . 1 1 78 78 GLU C C 78 174.225 174.225 174.928 -0.703 18411 2969 1 4 . 1 1 78 78 GLU CA C 78 54.220 54.220 54.514 -0.293 18411 2970 1 4 . 1 1 78 78 GLU CB C 78 32.842 32.842 29.596 3.246 18411 2971 1 4 . 1 1 78 78 GLU H H 78 8.010 8.010 9.091 -1.081 18411 2972 1 4 . 1 1 79 79 PRO HA H 79 4.579 4.579 4.610 -0.031 18411 2973 1 4 . 1 1 79 79 PRO C C 79 177.508 177.508 177.526 -0.018 18411 2974 1 4 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.183 -0.116 18411 2975 1 4 . 1 1 79 79 PRO CB C 79 33.096 33.096 32.889 0.207 18411 2976 1 4 . 1 1 80 80 LEU N N 80 122.209 122.209 122.223 -0.014 18411 2977 1 4 . 1 1 80 80 LEU HA H 80 3.927 3.927 4.004 -0.077 18411 2978 1 4 . 1 1 80 80 LEU C C 80 177.847 177.847 178.380 -0.533 18411 2979 1 4 . 1 1 80 80 LEU CA C 80 59.188 59.188 58.893 0.295 18411 2980 1 4 . 1 1 80 80 LEU CB C 80 42.001 42.001 41.119 0.882 18411 2981 1 4 . 1 1 80 80 LEU H H 80 8.943 8.943 8.455 0.488 18411 2982 1 4 . 1 1 81 81 GLU N N 81 115.361 115.361 116.852 -1.491 18411 2983 1 4 . 1 1 81 81 GLU HA H 81 3.999 3.999 3.960 0.039 18411 2984 1 4 . 1 1 81 81 GLU C C 81 180.044 180.044 178.900 1.144 18411 2985 1 4 . 1 1 81 81 GLU CA C 81 60.552 60.552 59.381 1.171 18411 2986 1 4 . 1 1 81 81 GLU CB C 81 28.723 28.723 28.795 -0.072 18411 2987 1 4 . 1 1 81 81 GLU H H 81 9.534 9.534 8.941 0.593 18411 2988 1 4 . 1 1 82 82 LYS N N 82 118.582 118.582 119.292 -0.710 18411 2989 1 4 . 1 1 82 82 LYS HA H 82 4.183 4.183 4.149 0.034 18411 2990 1 4 . 1 1 82 82 LYS C C 82 179.226 179.226 179.104 0.122 18411 2991 1 4 . 1 1 82 82 LYS CA C 82 58.248 58.248 58.169 0.079 18411 2992 1 4 . 1 1 82 82 LYS CB C 82 32.912 32.912 32.010 0.902 18411 2993 1 4 . 1 1 82 82 LYS H H 82 7.332 7.332 7.447 -0.115 18411 2994 1 4 . 1 1 83 83 VAL N N 83 122.971 122.971 120.850 2.121 18411 2995 1 4 . 1 1 83 83 VAL HA H 83 3.554 3.554 3.712 -0.158 18411 2996 1 4 . 1 1 83 83 VAL C C 83 178.331 178.331 178.179 0.152 18411 2997 1 4 . 1 1 83 83 VAL CA C 83 67.063 67.063 66.626 0.438 18411 2998 1 4 . 1 1 83 83 VAL CB C 83 31.497 31.497 31.581 -0.084 18411 2999 1 4 . 1 1 83 83 VAL H H 83 7.743 7.743 7.782 -0.039 18411 3000 1 4 . 1 1 84 84 LEU N N 84 119.209 119.209 118.617 0.592 18411 3001 1 4 . 1 1 84 84 LEU HA H 84 4.030 4.030 4.088 -0.058 18411 3002 1 4 . 1 1 84 84 LEU C C 84 180.647 180.647 178.557 2.090 18411 3003 1 4 . 1 1 84 84 LEU CA C 84 57.975 57.975 57.049 0.926 18411 3004 1 4 . 1 1 84 84 LEU CB C 84 42.010 42.010 40.392 1.618 18411 3005 1 4 . 1 1 84 84 LEU H H 84 8.706 8.706 8.020 0.686 18411 3006 1 4 . 1 1 85 85 ALA N N 85 120.801 120.801 122.196 -1.395 18411 3007 1 4 . 1 1 85 85 ALA HA H 85 4.198 4.198 4.254 -0.056 18411 3008 1 4 . 1 1 85 85 ALA C C 85 180.253 180.253 179.390 0.863 18411 3009 1 4 . 1 1 85 85 ALA CA C 85 54.947 54.947 54.614 0.333 18411 3010 1 4 . 1 1 85 85 ALA CB C 85 17.973 17.973 18.990 -1.017 18411 3011 1 4 . 1 1 85 85 ALA H H 85 7.440 7.440 7.459 -0.019 18411 3012 1 4 . 1 1 86 86 PHE N N 86 123.035 123.035 120.268 2.767 18411 3013 1 4 . 1 1 86 86 PHE HA H 86 4.905 4.905 4.095 0.810 18411 3014 1 4 . 1 1 86 86 PHE C C 86 179.015 179.015 177.196 1.819 18411 3015 1 4 . 1 1 86 86 PHE CA C 86 56.648 56.648 61.312 -4.663 18411 3016 1 4 . 1 1 86 86 PHE CB C 86 39.249 39.249 39.330 -0.081 18411 3017 1 4 . 1 1 86 86 PHE H H 86 8.040 8.040 8.552 -0.512 18411 3018 1 4 . 1 1 87 87 ALA N N 87 123.932 123.932 121.685 2.247 18411 3019 1 4 . 1 1 87 87 ALA HA H 87 3.480 3.480 3.986 -0.506 18411 3020 1 4 . 1 1 87 87 ALA C C 87 179.800 179.800 178.734 1.066 18411 3021 1 4 . 1 1 87 87 ALA CA C 87 55.183 55.183 54.906 0.277 18411 3022 1 4 . 1 1 87 87 ALA CB C 87 17.602 17.602 18.223 -0.621 18411 3023 1 4 . 1 1 87 87 ALA H H 87 8.453 8.453 8.358 0.095 18411 3024 1 4 . 1 1 88 88 LYS N N 88 116.535 116.535 117.628 -1.093 18411 3025 1 4 . 1 1 88 88 LYS HA H 88 4.030 4.030 3.969 0.061 18411 3026 1 4 . 1 1 88 88 LYS C C 88 179.562 179.562 178.201 1.361 18411 3027 1 4 . 1 1 88 88 LYS CA C 88 59.063 59.063 59.021 0.042 18411 3028 1 4 . 1 1 88 88 LYS CB C 88 32.466 32.466 32.165 0.301 18411 3029 1 4 . 1 1 88 88 LYS H H 88 7.664 7.664 8.026 -0.362 18411 3030 1 4 . 1 1 89 89 SER N N 89 113.619 113.619 112.273 1.346 18411 3031 1 4 . 1 1 89 89 SER HA H 89 4.271 4.271 4.357 -0.086 18411 3032 1 4 . 1 1 89 89 SER C C 89 177.004 177.004 175.156 1.848 18411 3033 1 4 . 1 1 89 89 SER CA C 89 61.139 61.139 60.067 1.072 18411 3034 1 4 . 1 1 89 89 SER CB C 89 63.327 63.327 62.981 0.346 18411 3035 1 4 . 1 1 89 89 SER H H 89 8.417 8.417 7.751 0.666 18411 3036 1 4 . 1 1 90 90 THR N N 90 109.601 109.601 111.444 -1.843 18411 3037 1 4 . 1 1 90 90 THR HA H 90 4.287 4.287 4.328 -0.041 18411 3038 1 4 . 1 1 90 90 THR C C 90 176.074 176.074 174.510 1.564 18411 3039 1 4 . 1 1 90 90 THR CA C 90 62.926 62.926 61.139 1.787 18411 3040 1 4 . 1 1 90 90 THR CB C 90 70.563 70.563 69.317 1.246 18411 3041 1 4 . 1 1 90 90 THR H H 90 7.710 7.710 6.991 0.719 18411 3042 1 4 . 1 1 91 91 GLY N N 91 110.243 110.243 110.061 0.182 18411 3043 1 4 . 1 1 91 91 GLY C C 91 174.815 174.815 174.108 0.707 18411 3044 1 4 . 1 1 91 91 GLY CA C 91 46.042 46.042 45.366 0.676 18411 3045 1 4 . 1 1 91 91 GLY H H 91 7.609 7.609 7.409 0.200 18411 3046 1 4 . 1 1 92 92 VAL N N 92 112.099 112.099 120.399 -8.300 18411 3047 1 4 . 1 1 92 92 VAL HA H 92 4.309 4.309 3.877 0.432 18411 3048 1 4 . 1 1 92 92 VAL C C 92 178.372 178.372 175.343 3.029 18411 3049 1 4 . 1 1 92 92 VAL CA C 92 60.696 60.696 61.888 -1.192 18411 3050 1 4 . 1 1 92 92 VAL CB C 92 32.337 32.337 31.317 1.020 18411 3051 1 4 . 1 1 92 92 VAL H H 92 7.046 7.046 8.049 -1.003 18411 3052 1 4 . 1 1 93 93 THR N N 93 114.289 114.289 122.244 -7.955 18411 3053 1 4 . 1 1 93 93 THR HA H 93 4.457 4.457 4.311 0.146 18411 3054 1 4 . 1 1 93 93 THR C C 93 175.115 175.115 174.367 0.748 18411 3055 1 4 . 1 1 93 93 THR CA C 93 61.280 61.280 62.886 -1.606 18411 3056 1 4 . 1 1 93 93 THR CB C 93 70.314 70.314 70.272 0.042 18411 3057 1 4 . 1 1 93 93 THR H H 93 10.844 10.844 9.128 1.716 18411 3058 1 4 . 1 1 94 94 TYR N N 94 122.050 122.050 122.382 -0.332 18411 3059 1 4 . 1 1 94 94 TYR HA H 94 3.740 3.740 3.269 0.471 18411 3060 1 4 . 1 1 94 94 TYR C C 94 171.563 171.563 173.411 -1.848 18411 3061 1 4 . 1 1 94 94 TYR CA C 94 53.080 53.080 53.778 -0.698 18411 3062 1 4 . 1 1 94 94 TYR CB C 94 34.195 34.195 36.029 -1.834 18411 3063 1 4 . 1 1 94 94 TYR H H 94 6.391 6.391 7.237 -0.846 18411 3064 1 4 . 1 1 95 95 PRO HA H 95 4.105 4.105 4.251 -0.146 18411 3065 1 4 . 1 1 95 95 PRO C C 95 175.152 175.152 175.525 -0.373 18411 3066 1 4 . 1 1 95 95 PRO CA C 95 63.799 63.799 62.739 1.060 18411 3067 1 4 . 1 1 95 95 PRO CB C 95 32.919 32.919 32.408 0.511 18411 3068 1 4 . 1 1 96 96 LEU N N 96 122.325 122.325 121.341 0.984 18411 3069 1 4 . 1 1 96 96 LEU HA H 96 5.143 5.143 5.282 -0.139 18411 3070 1 4 . 1 1 96 96 LEU C C 96 176.072 176.072 176.427 -0.355 18411 3071 1 4 . 1 1 96 96 LEU CA C 96 52.794 52.794 53.964 -1.170 18411 3072 1 4 . 1 1 96 96 LEU CB C 96 45.567 45.567 46.030 -0.463 18411 3073 1 4 . 1 1 96 96 LEU H H 96 8.256 8.256 7.882 0.374 18411 3074 1 4 . 1 1 97 97 GLY N N 97 107.295 107.295 107.090 0.205 18411 3075 1 4 . 1 1 97 97 GLY C C 97 171.546 171.546 172.134 -0.588 18411 3076 1 4 . 1 1 97 97 GLY CA C 97 44.069 44.069 43.454 0.615 18411 3077 1 4 . 1 1 97 97 GLY H H 97 9.177 9.177 8.905 0.272 18411 3078 1 4 . 1 1 98 98 LEU N N 98 118.550 118.550 119.101 -0.551 18411 3079 1 4 . 1 1 98 98 LEU HA H 98 4.872 4.872 4.554 0.318 18411 3080 1 4 . 1 1 98 98 LEU C C 98 176.132 176.132 175.501 0.631 18411 3081 1 4 . 1 1 98 98 LEU CA C 98 54.460 54.460 54.969 -0.509 18411 3082 1 4 . 1 1 98 98 LEU CB C 98 43.567 43.567 43.615 -0.048 18411 3083 1 4 . 1 1 98 98 LEU H H 98 8.106 8.106 8.534 -0.428 18411 3084 1 4 . 1 1 99 99 ASP N N 99 118.061 118.061 122.913 -4.852 18411 3085 1 4 . 1 1 99 99 ASP HA H 99 5.403 5.403 4.985 0.418 18411 3086 1 4 . 1 1 99 99 ASP C C 99 175.069 175.069 173.969 1.100 18411 3087 1 4 . 1 1 99 99 ASP CA C 99 51.057 51.057 50.855 0.202 18411 3088 1 4 . 1 1 99 99 ASP CB C 99 42.069 42.069 43.012 -0.943 18411 3089 1 4 . 1 1 99 99 ASP H H 99 8.481 8.481 8.482 -0.001 18411 3090 1 4 . 1 1 100 100 PRO HA H 100 4.564 4.564 4.564 0.000 18411 3091 1 4 . 1 1 100 100 PRO C C 100 179.600 179.600 177.080 2.520 18411 3092 1 4 . 1 1 100 100 PRO CA C 100 64.020 64.020 63.356 0.664 18411 3093 1 4 . 1 1 100 100 PRO CB C 100 31.455 31.455 31.072 0.383 18411 3094 1 4 . 1 1 101 101 GLY N N 101 114.780 114.780 111.167 3.613 18411 3095 1 4 . 1 1 101 101 GLY C C 101 173.600 173.600 174.348 -0.748 18411 3096 1 4 . 1 1 101 101 GLY CA C 101 46.175 46.175 45.013 1.162 18411 3097 1 4 . 1 1 101 101 GLY H H 101 9.045 9.045 8.025 1.020 18411 3098 1 4 . 1 1 102 102 ALA N N 102 117.089 117.089 119.526 -2.437 18411 3099 1 4 . 1 1 102 102 ALA HA H 102 4.376 4.376 4.209 0.167 18411 3100 1 4 . 1 1 102 102 ALA C C 102 175.955 175.955 177.223 -1.268 18411 3101 1 4 . 1 1 102 102 ALA CA C 102 52.693 52.693 52.763 -0.070 18411 3102 1 4 . 1 1 102 102 ALA CB C 102 18.256 18.256 17.352 0.904 18411 3103 1 4 . 1 1 102 102 ALA H H 102 8.257 8.257 7.803 0.454 18411 3104 1 4 . 1 1 103 103 ASP N N 103 118.691 118.691 119.870 -1.179 18411 3105 1 4 . 1 1 103 103 ASP HA H 103 4.444 4.444 4.481 -0.037 18411 3106 1 4 . 1 1 103 103 ASP C C 103 179.021 179.021 177.741 1.280 18411 3107 1 4 . 1 1 103 103 ASP CA C 103 57.935 57.935 57.156 0.779 18411 3108 1 4 . 1 1 103 103 ASP CB C 103 41.368 41.368 41.467 -0.099 18411 3109 1 4 . 1 1 103 103 ASP H H 103 6.739 6.739 8.615 -1.876 18411 3110 1 4 . 1 1 104 104 ILE N N 104 126.075 126.075 119.368 6.707 18411 3111 1 4 . 1 1 104 104 ILE HA H 104 3.682 3.682 3.809 -0.127 18411 3112 1 4 . 1 1 104 104 ILE C C 104 179.321 179.321 177.527 1.794 18411 3113 1 4 . 1 1 104 104 ILE CA C 104 66.522 66.522 62.715 3.807 18411 3114 1 4 . 1 1 104 104 ILE CB C 104 36.754 36.754 37.227 -0.472 18411 3115 1 4 . 1 1 104 104 ILE H H 104 11.476 11.476 8.942 2.534 18411 3116 1 4 . 1 1 105 105 PHE N N 105 124.513 124.513 120.894 3.619 18411 3117 1 4 . 1 1 105 105 PHE HA H 105 3.646 3.646 3.457 0.189 18411 3118 1 4 . 1 1 105 105 PHE C C 105 177.818 177.818 176.410 1.408 18411 3119 1 4 . 1 1 105 105 PHE CA C 105 62.948 62.948 61.525 1.423 18411 3120 1 4 . 1 1 105 105 PHE CB C 105 38.350 38.350 38.751 -0.401 18411 3121 1 4 . 1 1 105 105 PHE H H 105 9.473 9.473 9.146 0.327 18411 3122 1 4 . 1 1 106 106 ALA N N 106 115.835 115.835 120.168 -4.333 18411 3123 1 4 . 1 1 106 106 ALA HA H 106 4.927 4.927 4.479 0.448 18411 3124 1 4 . 1 1 106 106 ALA C C 106 179.271 179.271 178.495 0.776 18411 3125 1 4 . 1 1 106 106 ALA CA C 106 52.672 52.672 53.773 -1.101 18411 3126 1 4 . 1 1 106 106 ALA CB C 106 19.093 19.093 18.445 0.648 18411 3127 1 4 . 1 1 106 106 ALA H H 106 8.418 8.418 7.540 0.878 18411 3128 1 4 . 1 1 107 107 LYS N N 107 116.823 116.823 116.728 0.095 18411 3129 1 4 . 1 1 107 107 LYS HA H 107 4.145 4.145 4.047 0.098 18411 3130 1 4 . 1 1 107 107 LYS C C 107 176.006 176.006 177.009 -1.003 18411 3131 1 4 . 1 1 107 107 LYS CA C 107 57.980 57.980 58.176 -0.196 18411 3132 1 4 . 1 1 107 107 LYS CB C 107 33.041 33.041 32.540 0.501 18411 3133 1 4 . 1 1 107 107 LYS H H 107 8.106 8.106 7.575 0.531 18411 3134 1 4 . 1 1 108 108 TYR N N 108 114.793 114.793 115.637 -0.844 18411 3135 1 4 . 1 1 108 108 TYR HA H 108 4.311 4.311 4.504 -0.193 18411 3136 1 4 . 1 1 108 108 TYR C C 108 176.010 176.010 174.656 1.354 18411 3137 1 4 . 1 1 108 108 TYR CA C 108 59.270 59.270 59.724 -0.454 18411 3138 1 4 . 1 1 108 108 TYR CB C 108 40.965 40.965 40.477 0.488 18411 3139 1 4 . 1 1 108 108 TYR H H 108 7.811 7.811 7.278 0.533 18411 3140 1 4 . 1 1 109 109 ALA N N 109 125.709 125.709 119.605 6.104 18411 3141 1 4 . 1 1 109 109 ALA HA H 109 4.760 4.760 4.521 0.238 18411 3142 1 4 . 1 1 109 109 ALA C C 109 174.711 174.711 175.529 -0.818 18411 3143 1 4 . 1 1 109 109 ALA CA C 109 50.276 50.276 49.562 0.714 18411 3144 1 4 . 1 1 109 109 ALA CB C 109 21.924 21.924 20.597 1.327 18411 3145 1 4 . 1 1 109 109 ALA H H 109 8.595 8.595 8.113 0.482 18411 3146 1 4 . 1 1 110 110 LEU N N 110 117.834 117.834 119.162 -1.328 18411 3147 1 4 . 1 1 110 110 LEU HA H 110 4.137 4.137 4.281 -0.144 18411 3148 1 4 . 1 1 110 110 LEU C C 110 179.153 179.153 178.181 0.972 18411 3149 1 4 . 1 1 110 110 LEU CA C 110 55.164 55.164 55.505 -0.341 18411 3150 1 4 . 1 1 110 110 LEU CB C 110 42.292 42.292 42.093 0.199 18411 3151 1 4 . 1 1 110 110 LEU H H 110 7.814 7.814 8.570 -0.756 18411 3152 1 4 . 1 1 111 111 ARG N N 111 119.787 119.787 115.823 3.964 18411 3153 1 4 . 1 1 111 111 ARG HA H 111 3.916 3.916 4.292 -0.376 18411 3154 1 4 . 1 1 111 111 ARG C C 111 176.962 176.962 176.133 0.829 18411 3155 1 4 . 1 1 111 111 ARG CA C 111 60.538 60.538 59.563 0.975 18411 3156 1 4 . 1 1 111 111 ARG CB C 111 30.424 30.424 28.035 2.389 18411 3157 1 4 . 1 1 111 111 ARG H H 111 8.655 8.655 8.443 0.212 18411 3158 1 4 . 1 1 112 112 ASP N N 112 113.338 113.338 121.795 -8.457 18411 3159 1 4 . 1 1 112 112 ASP HA H 112 4.662 4.662 4.616 0.046 18411 3160 1 4 . 1 1 112 112 ASP C C 112 176.387 176.387 176.026 0.361 18411 3161 1 4 . 1 1 112 112 ASP CA C 112 52.833 52.833 55.688 -2.855 18411 3162 1 4 . 1 1 112 112 ASP CB C 112 40.135 40.135 40.331 -0.196 18411 3163 1 4 . 1 1 112 112 ASP H H 112 8.205 8.205 8.101 0.104 18411 3164 1 4 . 1 1 113 113 ALA N N 113 122.885 122.885 119.704 3.181 18411 3165 1 4 . 1 1 113 113 ALA HA H 113 4.347 4.347 4.451 -0.104 18411 3166 1 4 . 1 1 113 113 ALA C C 113 177.740 177.740 176.974 0.766 18411 3167 1 4 . 1 1 113 113 ALA CA C 113 51.983 51.983 52.096 -0.113 18411 3168 1 4 . 1 1 113 113 ALA CB C 113 20.558 20.558 19.387 1.171 18411 3169 1 4 . 1 1 113 113 ALA H H 113 7.919 7.919 8.108 -0.189 18411 3170 1 4 . 1 1 114 114 GLY CA C 114 45.480 45.480 45.008 0.472 18411 3171 1 4 . 1 1 115 115 ILE N N 115 122.165 122.165 121.743 0.422 18411 3172 1 4 . 1 1 115 115 ILE HA H 115 4.119 4.119 3.949 0.170 18411 3173 1 4 . 1 1 115 115 ILE CA C 115 60.788 60.788 61.148 -0.360 18411 3174 1 4 . 1 1 115 115 ILE CB C 115 39.651 39.651 38.934 0.717 18411 3175 1 4 . 1 1 115 115 ILE H H 115 8.253 8.253 8.377 -0.124 18411 3176 1 4 . 1 1 116 116 THR N N 116 110.198 110.198 118.533 -8.335 18411 3177 1 4 . 1 1 116 116 THR HA H 116 4.101 4.101 5.079 -0.978 18411 3178 1 4 . 1 1 116 116 THR CA C 116 62.947 62.947 62.847 0.100 18411 3179 1 4 . 1 1 116 116 THR CB C 116 69.031 69.031 68.470 0.561 18411 3180 1 4 . 1 1 116 116 THR H H 116 7.033 7.033 7.724 -0.691 18411 3181 1 4 . 1 1 117 117 ARG N N 117 130.624 130.624 125.944 4.680 18411 3182 1 4 . 1 1 117 117 ARG HA H 117 4.997 4.997 5.218 -0.221 18411 3183 1 4 . 1 1 117 117 ARG C C 117 173.296 173.296 174.296 -1.000 18411 3184 1 4 . 1 1 117 117 ARG CA C 117 56.468 56.468 53.951 2.517 18411 3185 1 4 . 1 1 117 117 ARG CB C 117 31.949 31.949 34.544 -2.595 18411 3186 1 4 . 1 1 117 117 ARG H H 117 8.250 8.250 8.901 -0.651 18411 3187 1 4 . 1 1 118 118 ASN N N 118 118.226 118.226 122.162 -3.936 18411 3188 1 4 . 1 1 118 118 ASN HA H 118 6.127 6.127 5.447 0.680 18411 3189 1 4 . 1 1 118 118 ASN C C 118 173.805 173.805 174.215 -0.410 18411 3190 1 4 . 1 1 118 118 ASN CA C 118 51.759 51.759 52.535 -0.776 18411 3191 1 4 . 1 1 118 118 ASN CB C 118 41.892 41.892 40.608 1.284 18411 3192 1 4 . 1 1 118 118 ASN H H 118 7.730 7.730 8.917 -1.187 18411 3193 1 4 . 1 1 119 119 VAL N N 119 120.477 120.477 126.645 -6.168 18411 3194 1 4 . 1 1 119 119 VAL HA H 119 4.766 4.766 4.480 0.286 18411 3195 1 4 . 1 1 119 119 VAL C C 119 173.809 173.809 174.214 -0.405 18411 3196 1 4 . 1 1 119 119 VAL CA C 119 60.808 60.808 61.825 -1.017 18411 3197 1 4 . 1 1 119 119 VAL CB C 119 35.887 35.887 32.763 3.124 18411 3198 1 4 . 1 1 119 119 VAL H H 119 9.269 9.269 9.337 -0.068 18411 3199 1 4 . 1 1 120 120 LEU N N 120 128.017 128.017 130.684 -2.667 18411 3200 1 4 . 1 1 120 120 LEU HA H 120 5.350 5.350 4.740 0.610 18411 3201 1 4 . 1 1 120 120 LEU C C 120 174.606 174.606 174.814 -0.208 18411 3202 1 4 . 1 1 120 120 LEU CA C 120 53.563 53.563 53.864 -0.301 18411 3203 1 4 . 1 1 120 120 LEU CB C 120 46.211 46.211 43.288 2.924 18411 3204 1 4 . 1 1 120 120 LEU H H 120 8.829 8.829 9.180 -0.351 18411 3205 1 4 . 1 1 121 121 ILE N N 121 131.629 131.629 127.770 3.859 18411 3206 1 4 . 1 1 121 121 ILE HA H 121 4.799 4.799 4.615 0.184 18411 3207 1 4 . 1 1 121 121 ILE C C 121 174.731 174.731 175.278 -0.547 18411 3208 1 4 . 1 1 121 121 ILE CA C 121 60.450 60.450 60.626 -0.176 18411 3209 1 4 . 1 1 121 121 ILE CB C 121 41.651 41.651 39.184 2.467 18411 3210 1 4 . 1 1 121 121 ILE H H 121 9.659 9.659 9.196 0.463 18411 3211 1 4 . 1 1 122 122 ASP N N 122 124.197 124.197 126.555 -2.358 18411 3212 1 4 . 1 1 122 122 ASP HA H 122 4.513 4.513 4.883 -0.370 18411 3213 1 4 . 1 1 122 122 ASP C C 122 177.586 177.586 177.578 0.008 18411 3214 1 4 . 1 1 122 122 ASP CA C 122 52.442 52.442 52.904 -0.462 18411 3215 1 4 . 1 1 122 122 ASP CB C 122 41.476 41.476 43.424 -1.948 18411 3216 1 4 . 1 1 122 122 ASP H H 122 9.128 9.128 9.033 0.095 18411 3217 1 4 . 1 1 123 123 ARG N N 123 113.396 113.396 121.446 -8.050 18411 3218 1 4 . 1 1 123 123 ARG HA H 123 4.186 4.186 4.275 -0.089 18411 3219 1 4 . 1 1 123 123 ARG C C 123 178.717 178.717 178.469 0.248 18411 3220 1 4 . 1 1 123 123 ARG CA C 123 58.243 58.243 59.703 -1.460 18411 3221 1 4 . 1 1 123 123 ARG CB C 123 30.783 30.783 30.371 0.412 18411 3222 1 4 . 1 1 123 123 ARG H H 123 7.870 7.870 8.775 -0.905 18411 3223 1 4 . 1 1 124 124 GLU N N 124 117.427 117.427 117.930 -0.503 18411 3224 1 4 . 1 1 124 124 GLU HA H 124 4.310 4.310 4.143 0.167 18411 3225 1 4 . 1 1 124 124 GLU C C 124 176.034 176.034 177.460 -1.426 18411 3226 1 4 . 1 1 124 124 GLU CA C 124 56.164 56.164 57.222 -1.058 18411 3227 1 4 . 1 1 124 124 GLU CB C 124 30.541 30.541 29.601 0.940 18411 3228 1 4 . 1 1 124 124 GLU H H 124 8.155 8.155 8.408 -0.253 18411 3229 1 4 . 1 1 125 125 GLY N N 125 105.681 105.681 107.034 -1.353 18411 3230 1 4 . 1 1 125 125 GLY C C 125 174.204 174.204 173.396 0.808 18411 3231 1 4 . 1 1 125 125 GLY CA C 125 45.160 45.160 45.181 -0.021 18411 3232 1 4 . 1 1 125 125 GLY H H 125 8.094 8.094 8.390 -0.296 18411 3233 1 4 . 1 1 126 126 LYS N N 126 122.326 122.326 120.077 2.249 18411 3234 1 4 . 1 1 126 126 LYS HA H 126 4.647 4.647 4.849 -0.202 18411 3235 1 4 . 1 1 126 126 LYS C C 126 176.390 176.390 175.687 0.703 18411 3236 1 4 . 1 1 126 126 LYS CA C 126 55.393 55.393 55.268 0.125 18411 3237 1 4 . 1 1 126 126 LYS CB C 126 33.569 33.569 34.384 -0.815 18411 3238 1 4 . 1 1 126 126 LYS H H 126 8.502 8.502 7.591 0.911 18411 3239 1 4 . 1 1 127 127 ILE N N 127 121.946 121.946 124.985 -3.039 18411 3240 1 4 . 1 1 127 127 ILE HA H 127 4.048 4.048 4.425 -0.377 18411 3241 1 4 . 1 1 127 127 ILE C C 127 177.735 177.735 176.472 1.263 18411 3242 1 4 . 1 1 127 127 ILE CA C 127 63.200 63.200 62.314 0.886 18411 3243 1 4 . 1 1 127 127 ILE CB C 127 38.106 38.106 37.551 0.555 18411 3244 1 4 . 1 1 127 127 ILE H H 127 8.739 8.739 9.245 -0.506 18411 3245 1 4 . 1 1 128 128 VAL N N 128 122.026 122.026 124.478 -2.452 18411 3246 1 4 . 1 1 128 128 VAL HA H 128 4.695 4.695 4.364 0.331 18411 3247 1 4 . 1 1 128 128 VAL C C 128 175.968 175.968 175.427 0.541 18411 3248 1 4 . 1 1 128 128 VAL CA C 128 61.535 61.535 61.801 -0.266 18411 3249 1 4 . 1 1 128 128 VAL CB C 128 33.996 33.996 32.499 1.497 18411 3250 1 4 . 1 1 128 128 VAL H H 128 9.397 9.397 8.621 0.776 18411 3251 1 4 . 1 1 129 129 LYS N N 129 121.635 121.635 120.839 0.796 18411 3252 1 4 . 1 1 129 129 LYS HA H 129 4.359 4.359 4.505 -0.146 18411 3253 1 4 . 1 1 129 129 LYS C C 129 172.896 172.896 174.399 -1.503 18411 3254 1 4 . 1 1 129 129 LYS CA C 129 57.322 57.322 54.816 2.506 18411 3255 1 4 . 1 1 129 129 LYS CB C 129 36.802 36.802 33.786 3.016 18411 3256 1 4 . 1 1 129 129 LYS H H 129 7.708 7.708 7.447 0.261 18411 3257 1 4 . 1 1 130 130 LEU N N 130 126.219 126.219 128.133 -1.914 18411 3258 1 4 . 1 1 130 130 LEU HA H 130 5.140 5.140 5.200 -0.060 18411 3259 1 4 . 1 1 130 130 LEU C C 130 176.956 176.956 177.444 -0.488 18411 3260 1 4 . 1 1 130 130 LEU CA C 130 53.572 53.572 53.533 0.039 18411 3261 1 4 . 1 1 130 130 LEU CB C 130 44.700 44.700 42.016 2.684 18411 3262 1 4 . 1 1 130 130 LEU H H 130 8.301 8.301 8.615 -0.314 18411 3263 1 4 . 1 1 131 131 THR N N 131 113.484 113.484 119.806 -6.322 18411 3264 1 4 . 1 1 131 131 THR HA H 131 5.136 5.136 4.748 0.388 18411 3265 1 4 . 1 1 131 131 THR C C 131 175.492 175.492 173.876 1.616 18411 3266 1 4 . 1 1 131 131 THR CA C 131 61.033 61.033 61.577 -0.543 18411 3267 1 4 . 1 1 131 131 THR CB C 131 70.922 70.922 71.200 -0.278 18411 3268 1 4 . 1 1 131 131 THR H H 131 9.298 9.298 9.232 0.066 18411 3269 1 4 . 1 1 132 132 ARG HA H 132 5.150 5.150 4.467 0.683 18411 3270 1 4 . 1 1 132 132 ARG CA C 132 55.585 55.585 56.470 -0.885 18411 3271 1 4 . 1 1 132 132 ARG CB C 132 33.035 33.035 29.441 3.594 18411 3272 1 4 . 1 1 133 133 LEU N N 133 118.967 118.967 123.483 -4.516 18411 3273 1 4 . 1 1 133 133 LEU HA H 133 4.302 4.302 4.079 0.223 18411 3274 1 4 . 1 1 133 133 LEU CA C 133 56.200 56.200 57.273 -1.073 18411 3275 1 4 . 1 1 133 133 LEU CB C 133 41.616 41.616 41.063 0.553 18411 3276 1 4 . 1 1 133 133 LEU H H 133 8.167 8.167 8.198 -0.031 18411 3277 1 4 . 1 1 134 134 TYR N N 134 124.816 124.816 121.877 2.939 18411 3278 1 4 . 1 1 134 134 TYR HA H 134 4.963 4.963 4.283 0.680 18411 3279 1 4 . 1 1 134 134 TYR CA C 134 57.154 57.154 59.578 -2.425 18411 3280 1 4 . 1 1 134 134 TYR CB C 134 38.948 38.948 39.770 -0.822 18411 3281 1 4 . 1 1 134 134 TYR H H 134 7.805 7.805 8.504 -0.699 18411 3282 1 4 . 1 1 135 135 ASN HA H 135 4.415 4.415 4.394 0.021 18411 3283 1 4 . 1 1 135 135 ASN CA C 135 51.995 51.995 53.590 -1.595 18411 3284 1 4 . 1 1 135 135 ASN CB C 135 40.521 40.521 38.815 1.706 18411 3285 1 4 . 1 1 136 136 GLU HA H 136 3.694 3.694 3.735 -0.041 18411 3286 1 4 . 1 1 136 136 GLU C C 136 178.797 178.797 178.237 0.560 18411 3287 1 4 . 1 1 136 136 GLU CA C 136 61.052 61.052 59.755 1.296 18411 3288 1 4 . 1 1 136 136 GLU CB C 136 29.353 29.353 29.368 -0.015 18411 3289 1 4 . 1 1 137 137 GLU N N 137 120.717 120.717 118.139 2.578 18411 3290 1 4 . 1 1 137 137 GLU HA H 137 4.176 4.176 4.081 0.095 18411 3291 1 4 . 1 1 137 137 GLU C C 137 179.707 179.707 178.600 1.107 18411 3292 1 4 . 1 1 137 137 GLU CA C 137 59.800 59.800 59.228 0.572 18411 3293 1 4 . 1 1 137 137 GLU CB C 137 29.284 29.284 28.570 0.714 18411 3294 1 4 . 1 1 137 137 GLU H H 137 8.364 8.364 8.613 -0.249 18411 3295 1 4 . 1 1 138 138 GLU N N 138 122.448 122.448 121.531 0.917 18411 3296 1 4 . 1 1 138 138 GLU HA H 138 4.190 4.190 4.083 0.107 18411 3297 1 4 . 1 1 138 138 GLU C C 138 179.927 179.927 178.135 1.792 18411 3298 1 4 . 1 1 138 138 GLU CA C 138 59.129 59.129 58.966 0.163 18411 3299 1 4 . 1 1 138 138 GLU CB C 138 30.064 30.064 29.387 0.677 18411 3300 1 4 . 1 1 138 138 GLU H H 138 8.448 8.448 8.005 0.443 18411 3301 1 4 . 1 1 139 139 PHE N N 139 122.454 122.454 120.324 2.130 18411 3302 1 4 . 1 1 139 139 PHE HA H 139 4.171 4.171 3.999 0.172 18411 3303 1 4 . 1 1 139 139 PHE C C 139 177.370 177.370 176.608 0.762 18411 3304 1 4 . 1 1 139 139 PHE CA C 139 62.690 62.690 61.632 1.058 18411 3305 1 4 . 1 1 139 139 PHE CB C 139 39.579 39.579 38.690 0.889 18411 3306 1 4 . 1 1 139 139 PHE H H 139 8.895 8.895 8.557 0.338 18411 3307 1 4 . 1 1 140 140 ALA N N 140 120.155 120.155 121.686 -1.531 18411 3308 1 4 . 1 1 140 140 ALA HA H 140 4.100 4.100 3.795 0.305 18411 3309 1 4 . 1 1 140 140 ALA C C 140 181.270 181.270 179.464 1.806 18411 3310 1 4 . 1 1 140 140 ALA CA C 140 55.203 55.203 55.401 -0.199 18411 3311 1 4 . 1 1 140 140 ALA CB C 140 17.716 17.716 17.882 -0.166 18411 3312 1 4 . 1 1 140 140 ALA H H 140 8.240 8.240 7.625 0.615 18411 3313 1 4 . 1 1 141 141 SER N N 141 114.095 114.095 115.244 -1.149 18411 3314 1 4 . 1 1 141 141 SER HA H 141 4.267 4.267 4.067 0.200 18411 3315 1 4 . 1 1 141 141 SER C C 141 176.895 176.895 176.474 0.421 18411 3316 1 4 . 1 1 141 141 SER CA C 141 61.291 61.291 62.231 -0.940 18411 3317 1 4 . 1 1 141 141 SER CB C 141 62.690 62.690 62.944 -0.254 18411 3318 1 4 . 1 1 141 141 SER H H 141 7.835 7.835 8.268 -0.433 18411 3319 1 4 . 1 1 142 142 LEU N N 142 126.764 126.764 123.014 3.750 18411 3320 1 4 . 1 1 142 142 LEU HA H 142 3.908 3.908 3.962 -0.054 18411 3321 1 4 . 1 1 142 142 LEU C C 142 176.876 176.876 178.078 -1.202 18411 3322 1 4 . 1 1 142 142 LEU CA C 142 58.757 58.757 58.019 0.738 18411 3323 1 4 . 1 1 142 142 LEU CB C 142 41.653 41.653 41.513 0.140 18411 3324 1 4 . 1 1 142 142 LEU H H 142 7.833 7.833 8.157 -0.324 18411 3325 1 4 . 1 1 143 143 VAL N N 143 119.066 119.066 118.942 0.124 18411 3326 1 4 . 1 1 143 143 VAL HA H 143 3.174 3.174 3.362 -0.188 18411 3327 1 4 . 1 1 143 143 VAL C C 143 178.479 178.479 178.068 0.411 18411 3328 1 4 . 1 1 143 143 VAL CA C 143 66.864 66.864 67.404 -0.540 18411 3329 1 4 . 1 1 143 143 VAL CB C 143 32.350 32.350 31.203 1.147 18411 3330 1 4 . 1 1 143 143 VAL H H 143 8.010 8.010 8.292 -0.282 18411 3331 1 4 . 1 1 144 144 GLN N N 144 118.170 118.170 118.350 -0.180 18411 3332 1 4 . 1 1 144 144 GLN HA H 144 4.028 4.028 3.862 0.166 18411 3333 1 4 . 1 1 144 144 GLN C C 144 178.335 178.335 178.419 -0.084 18411 3334 1 4 . 1 1 144 144 GLN CA C 144 59.591 59.591 59.261 0.330 18411 3335 1 4 . 1 1 144 144 GLN CB C 144 32.906 32.906 28.285 4.621 18411 3336 1 4 . 1 1 144 144 GLN H H 144 7.935 7.935 7.947 -0.012 18411 3337 1 4 . 1 1 145 145 GLN N N 145 119.839 119.839 119.888 -0.049 18411 3338 1 4 . 1 1 145 145 GLN HA H 145 4.029 4.029 4.039 -0.010 18411 3339 1 4 . 1 1 145 145 GLN C C 145 178.686 178.686 178.438 0.248 18411 3340 1 4 . 1 1 145 145 GLN CA C 145 59.270 59.270 58.925 0.345 18411 3341 1 4 . 1 1 145 145 GLN CB C 145 27.587 27.587 28.669 -1.082 18411 3342 1 4 . 1 1 145 145 GLN H H 145 7.986 7.986 8.132 -0.146 18411 3343 1 4 . 1 1 146 146 ILE N N 146 119.900 119.900 120.883 -0.983 18411 3344 1 4 . 1 1 146 146 ILE HA H 146 3.345 3.345 3.660 -0.315 18411 3345 1 4 . 1 1 146 146 ILE C C 146 177.393 177.393 178.278 -0.885 18411 3346 1 4 . 1 1 146 146 ILE CA C 146 66.902 66.902 64.573 2.329 18411 3347 1 4 . 1 1 146 146 ILE CB C 146 38.281 38.281 36.804 1.477 18411 3348 1 4 . 1 1 146 146 ILE H H 146 8.171 8.171 8.558 -0.387 18411 3349 1 4 . 1 1 147 147 ASN N N 147 116.163 116.163 117.588 -1.425 18411 3350 1 4 . 1 1 147 147 ASN HA H 147 4.196 4.196 4.381 -0.185 18411 3351 1 4 . 1 1 147 147 ASN C C 147 179.035 179.035 177.912 1.123 18411 3352 1 4 . 1 1 147 147 ASN CA C 147 56.348 56.348 56.233 0.116 18411 3353 1 4 . 1 1 147 147 ASN CB C 147 38.062 38.062 37.952 0.110 18411 3354 1 4 . 1 1 147 147 ASN H H 147 7.896 7.896 8.434 -0.538 18411 3355 1 4 . 1 1 148 148 GLU N N 148 118.645 118.645 121.923 -3.278 18411 3356 1 4 . 1 1 148 148 GLU HA H 148 3.970 3.970 4.082 -0.112 18411 3357 1 4 . 1 1 148 148 GLU C C 148 179.964 179.964 178.603 1.361 18411 3358 1 4 . 1 1 148 148 GLU CA C 148 59.340 59.340 59.606 -0.266 18411 3359 1 4 . 1 1 148 148 GLU CB C 148 29.572 29.572 29.562 0.010 18411 3360 1 4 . 1 1 148 148 GLU H H 148 8.311 8.311 7.816 0.495 18411 3361 1 4 . 1 1 149 149 MET N N 149 119.218 119.218 117.632 1.586 18411 3362 1 4 . 1 1 149 149 MET HA H 149 4.140 4.140 4.120 0.020 18411 3363 1 4 . 1 1 149 149 MET C C 149 179.419 179.419 177.605 1.814 18411 3364 1 4 . 1 1 149 149 MET CA C 149 59.040 59.040 58.980 0.060 18411 3365 1 4 . 1 1 149 149 MET CB C 149 35.293 35.293 32.870 2.423 18411 3366 1 4 . 1 1 149 149 MET H H 149 8.527 8.527 8.170 0.357 18411 3367 1 4 . 1 1 150 150 LEU N N 150 118.078 118.078 115.304 2.774 18411 3368 1 4 . 1 1 150 150 LEU HA H 150 4.245 4.245 4.296 -0.051 18411 3369 1 4 . 1 1 150 150 LEU C C 150 178.141 178.141 178.017 0.124 18411 3370 1 4 . 1 1 150 150 LEU CA C 150 55.824 55.824 55.736 0.088 18411 3371 1 4 . 1 1 150 150 LEU CB C 150 41.533 41.533 40.697 0.837 18411 3372 1 4 . 1 1 150 150 LEU H H 150 7.917 7.917 7.694 0.223 18411 3373 1 4 . 1 1 151 151 LYS N N 151 120.096 120.096 118.083 2.013 18411 3374 1 4 . 1 1 151 151 LYS HA H 151 4.181 4.181 4.407 -0.226 18411 3375 1 4 . 1 1 151 151 LYS C C 151 177.029 177.029 177.626 -0.597 18411 3376 1 4 . 1 1 151 151 LYS CA C 151 57.490 57.490 56.300 1.190 18411 3377 1 4 . 1 1 151 151 LYS CB C 151 32.921 32.921 33.433 -0.512 18411 3378 1 4 . 1 1 151 151 LYS H H 151 7.466 7.466 7.852 -0.386 18411 3379 1 4 . 1 1 152 152 GLU N N 152 120.188 120.188 118.381 1.807 18411 3380 1 4 . 1 1 152 152 GLU HA H 152 4.264 4.264 3.771 0.493 18411 3381 1 4 . 1 1 152 152 GLU C C 152 177.259 177.259 177.342 -0.083 18411 3382 1 4 . 1 1 152 152 GLU CA C 152 57.070 57.070 58.842 -1.772 18411 3383 1 4 . 1 1 152 152 GLU CB C 152 30.385 30.385 28.686 1.699 18411 3384 1 4 . 1 1 152 152 GLU H H 152 7.820 7.820 8.035 -0.215 18411 3385 1 4 . 1 1 153 153 GLY N N 153 109.046 109.046 106.869 2.177 18411 3386 1 4 . 1 1 153 153 GLY C C 153 174.204 174.204 173.926 0.278 18411 3387 1 4 . 1 1 153 153 GLY CA C 153 45.327 45.327 45.215 0.112 18411 3388 1 4 . 1 1 153 153 GLY H H 153 8.278 8.278 7.711 0.567 18411 3389 1 4 . 1 1 158 158 HIS HA H 158 4.606 4.606 4.673 -0.067 18411 3390 1 4 . 1 1 158 158 HIS C C 158 174.423 174.423 173.264 1.159 18411 3391 1 4 . 1 1 158 158 HIS CA C 158 56.235 56.235 55.139 1.096 18411 3392 1 4 . 1 1 158 158 HIS CB C 158 31.028 31.028 30.336 0.692 18411 3393 1 5 . 1 1 3 3 LEU HA H 3 3.930 3.930 4.481 -0.551 18411 3394 1 5 . 1 1 3 3 LEU CA C 3 58.669 58.669 54.589 4.080 18411 3395 1 5 . 1 1 3 3 LEU CB C 3 42.010 42.010 41.435 0.575 18411 3396 1 5 . 1 1 4 4 GLY C C 4 173.604 173.604 173.802 -0.198 18411 3397 1 5 . 1 1 4 4 GLY CA C 4 46.072 46.072 45.459 0.613 18411 3398 1 5 . 1 1 5 5 TYR N N 5 116.195 116.195 122.788 -6.593 18411 3399 1 5 . 1 1 5 5 TYR HA H 5 4.769 4.769 4.731 0.038 18411 3400 1 5 . 1 1 5 5 TYR C C 5 177.898 177.898 176.648 1.250 18411 3401 1 5 . 1 1 5 5 TYR CA C 5 60.102 60.102 59.723 0.379 18411 3402 1 5 . 1 1 5 5 TYR CB C 5 39.615 39.615 38.908 0.707 18411 3403 1 5 . 1 1 5 5 TYR H H 5 7.849 7.849 7.388 0.461 18411 3404 1 5 . 1 1 6 6 ILE N N 6 115.338 115.338 116.700 -1.362 18411 3405 1 5 . 1 1 6 6 ILE HA H 6 4.514 4.514 4.441 0.073 18411 3406 1 5 . 1 1 6 6 ILE C C 6 175.977 175.977 175.988 -0.011 18411 3407 1 5 . 1 1 6 6 ILE CA C 6 61.623 61.623 60.842 0.781 18411 3408 1 5 . 1 1 6 6 ILE CB C 6 38.270 38.270 38.630 -0.360 18411 3409 1 5 . 1 1 6 6 ILE H H 6 8.687 8.687 8.329 0.358 18411 3410 1 5 . 1 1 7 7 VAL N N 7 113.122 113.122 122.313 -9.191 18411 3411 1 5 . 1 1 7 7 VAL HA H 7 4.730 4.730 4.247 0.483 18411 3412 1 5 . 1 1 7 7 VAL C C 7 174.331 174.331 174.561 -0.230 18411 3413 1 5 . 1 1 7 7 VAL CA C 7 58.867 58.867 61.275 -2.408 18411 3414 1 5 . 1 1 7 7 VAL CB C 7 34.475 34.475 33.524 0.951 18411 3415 1 5 . 1 1 7 7 VAL H H 7 6.845 6.845 7.453 -0.608 18411 3416 1 5 . 1 1 8 8 ARG N N 8 117.597 117.597 124.749 -7.152 18411 3417 1 5 . 1 1 8 8 ARG HA H 8 4.539 4.539 4.576 -0.037 18411 3418 1 5 . 1 1 8 8 ARG C C 8 175.618 175.618 174.419 1.199 18411 3419 1 5 . 1 1 8 8 ARG CA C 8 53.717 53.717 54.343 -0.625 18411 3420 1 5 . 1 1 8 8 ARG CB C 8 34.126 34.126 32.207 1.919 18411 3421 1 5 . 1 1 8 8 ARG H H 8 7.978 7.978 8.264 -0.286 18411 3422 1 5 . 1 1 9 9 ILE N N 9 118.377 118.377 121.555 -3.178 18411 3423 1 5 . 1 1 9 9 ILE HA H 9 3.465 3.465 3.911 -0.446 18411 3424 1 5 . 1 1 9 9 ILE C C 9 177.771 177.771 177.529 0.242 18411 3425 1 5 . 1 1 9 9 ILE CA C 9 62.350 62.350 62.730 -0.380 18411 3426 1 5 . 1 1 9 9 ILE CB C 9 37.049 37.049 37.427 -0.378 18411 3427 1 5 . 1 1 9 9 ILE H H 9 8.085 8.085 8.361 -0.276 18411 3428 1 5 . 1 1 10 10 GLY N N 10 115.204 115.204 115.069 0.135 18411 3429 1 5 . 1 1 10 10 GLY C C 10 174.235 174.235 174.159 0.076 18411 3430 1 5 . 1 1 10 10 GLY CA C 10 44.763 44.763 44.654 0.109 18411 3431 1 5 . 1 1 10 10 GLY H H 10 9.149 9.149 9.163 -0.014 18411 3432 1 5 . 1 1 11 11 GLU N N 11 119.157 119.157 121.376 -2.219 18411 3433 1 5 . 1 1 11 11 GLU HA H 11 4.392 4.392 4.454 -0.062 18411 3434 1 5 . 1 1 11 11 GLU C C 11 176.729 176.729 175.713 1.016 18411 3435 1 5 . 1 1 11 11 GLU CA C 11 55.108 55.108 54.938 0.170 18411 3436 1 5 . 1 1 11 11 GLU CB C 11 31.473 31.473 31.043 0.430 18411 3437 1 5 . 1 1 11 11 GLU H H 11 7.631 7.631 7.714 -0.083 18411 3438 1 5 . 1 1 12 12 MET N N 12 119.646 119.646 123.315 -3.669 18411 3439 1 5 . 1 1 12 12 MET HA H 12 4.593 4.593 4.619 -0.026 18411 3440 1 5 . 1 1 12 12 MET C C 12 177.162 177.162 176.154 1.008 18411 3441 1 5 . 1 1 12 12 MET CA C 12 54.475 54.475 55.507 -1.032 18411 3442 1 5 . 1 1 12 12 MET CB C 12 30.749 30.749 33.015 -2.266 18411 3443 1 5 . 1 1 12 12 MET H H 12 8.566 8.566 8.567 -0.001 18411 3444 1 5 . 1 1 13 13 ALA N N 13 129.735 129.735 129.058 0.677 18411 3445 1 5 . 1 1 13 13 ALA HA H 13 4.293 4.293 4.591 -0.298 18411 3446 1 5 . 1 1 13 13 ALA C C 13 175.992 175.992 175.769 0.223 18411 3447 1 5 . 1 1 13 13 ALA CA C 13 50.676 50.676 50.371 0.305 18411 3448 1 5 . 1 1 13 13 ALA CB C 13 18.125 18.125 18.691 -0.566 18411 3449 1 5 . 1 1 13 13 ALA H H 13 8.626 8.626 8.736 -0.110 18411 3450 1 5 . 1 1 14 14 PRO HA H 14 4.253 4.253 4.366 -0.113 18411 3451 1 5 . 1 1 14 14 PRO C C 14 176.066 176.066 175.671 0.395 18411 3452 1 5 . 1 1 14 14 PRO CA C 14 63.478 63.478 62.855 0.623 18411 3453 1 5 . 1 1 14 14 PRO CB C 14 32.987 32.987 31.874 1.113 18411 3454 1 5 . 1 1 15 15 ASP N N 15 123.075 123.075 121.512 1.563 18411 3455 1 5 . 1 1 15 15 ASP HA H 15 4.700 4.700 4.490 0.210 18411 3456 1 5 . 1 1 15 15 ASP C C 15 176.067 176.067 175.189 0.878 18411 3457 1 5 . 1 1 15 15 ASP CA C 15 53.628 53.628 54.913 -1.284 18411 3458 1 5 . 1 1 15 15 ASP CB C 15 41.613 41.613 41.996 -0.383 18411 3459 1 5 . 1 1 15 15 ASP H H 15 8.373 8.373 8.451 -0.078 18411 3460 1 5 . 1 1 16 16 PHE N N 16 114.256 114.256 117.405 -3.149 18411 3461 1 5 . 1 1 16 16 PHE HA H 16 4.869 4.869 4.980 -0.111 18411 3462 1 5 . 1 1 16 16 PHE C C 16 173.028 173.028 173.328 -0.300 18411 3463 1 5 . 1 1 16 16 PHE CA C 16 56.721 56.721 55.684 1.037 18411 3464 1 5 . 1 1 16 16 PHE CB C 16 40.560 40.560 41.790 -1.230 18411 3465 1 5 . 1 1 16 16 PHE H H 16 7.950 7.950 7.578 0.372 18411 3466 1 5 . 1 1 17 17 THR N N 17 116.459 116.459 117.462 -1.003 18411 3467 1 5 . 1 1 17 17 THR HA H 17 5.244 5.244 5.204 0.040 18411 3468 1 5 . 1 1 17 17 THR C C 17 172.722 172.722 173.678 -0.956 18411 3469 1 5 . 1 1 17 17 THR CA C 17 62.061 62.061 61.546 0.515 18411 3470 1 5 . 1 1 17 17 THR CB C 17 70.882 70.882 69.698 1.183 18411 3471 1 5 . 1 1 17 17 THR H H 17 8.596 8.596 8.560 0.036 18411 3472 1 5 . 1 1 18 18 ILE N N 18 128.165 128.165 127.528 0.637 18411 3473 1 5 . 1 1 18 18 ILE HA H 18 4.995 4.995 4.599 0.396 18411 3474 1 5 . 1 1 18 18 ILE C C 18 172.309 172.309 174.130 -1.821 18411 3475 1 5 . 1 1 18 18 ILE CA C 18 59.123 59.123 59.169 -0.046 18411 3476 1 5 . 1 1 18 18 ILE CB C 18 43.984 43.984 41.771 2.213 18411 3477 1 5 . 1 1 18 18 ILE H H 18 9.574 9.574 8.908 0.666 18411 3478 1 5 . 1 1 19 19 THR N N 19 124.473 124.473 123.701 0.772 18411 3479 1 5 . 1 1 19 19 THR HA H 19 4.821 4.821 5.231 -0.410 18411 3480 1 5 . 1 1 19 19 THR C C 19 174.104 174.104 174.642 -0.538 18411 3481 1 5 . 1 1 19 19 THR CA C 19 62.316 62.316 62.645 -0.329 18411 3482 1 5 . 1 1 19 19 THR CB C 19 69.287 69.287 69.419 -0.132 18411 3483 1 5 . 1 1 19 19 THR H H 19 9.081 9.081 8.647 0.434 18411 3484 1 5 . 1 1 20 20 LEU N N 20 125.167 125.167 125.630 -0.463 18411 3485 1 5 . 1 1 20 20 LEU HA H 20 5.082 5.082 4.950 0.132 18411 3486 1 5 . 1 1 20 20 LEU C C 20 181.023 181.023 179.407 1.616 18411 3487 1 5 . 1 1 20 20 LEU CA C 20 54.191 54.191 53.910 0.281 18411 3488 1 5 . 1 1 20 20 LEU CB C 20 42.219 42.219 43.279 -1.060 18411 3489 1 5 . 1 1 20 20 LEU H H 20 9.227 9.227 8.865 0.362 18411 3490 1 5 . 1 1 21 21 THR N N 21 109.887 109.887 114.066 -4.179 18411 3491 1 5 . 1 1 21 21 THR HA H 21 3.831 3.831 4.036 -0.205 18411 3492 1 5 . 1 1 21 21 THR C C 21 174.716 174.716 175.168 -0.452 18411 3493 1 5 . 1 1 21 21 THR CA C 21 64.992 64.992 65.557 -0.565 18411 3494 1 5 . 1 1 21 21 THR CB C 21 68.529 68.529 68.754 -0.225 18411 3495 1 5 . 1 1 21 21 THR H H 21 8.603 8.603 8.598 0.005 18411 3496 1 5 . 1 1 22 22 ASP N N 22 117.311 117.311 117.451 -0.140 18411 3497 1 5 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.650 -0.056 18411 3498 1 5 . 1 1 22 22 ASP C C 22 177.771 177.771 177.105 0.666 18411 3499 1 5 . 1 1 22 22 ASP CA C 22 53.173 53.173 53.658 -0.485 18411 3500 1 5 . 1 1 22 22 ASP CB C 22 40.449 40.449 40.651 -0.202 18411 3501 1 5 . 1 1 22 22 ASP H H 22 7.530 7.530 8.055 -0.525 18411 3502 1 5 . 1 1 23 23 GLY N N 23 108.847 108.847 108.839 0.008 18411 3503 1 5 . 1 1 23 23 GLY C C 23 174.806 174.806 174.651 0.155 18411 3504 1 5 . 1 1 23 23 GLY CA C 23 45.028 45.028 44.911 0.117 18411 3505 1 5 . 1 1 23 23 GLY H H 23 8.203 8.203 7.811 0.392 18411 3506 1 5 . 1 1 24 24 LYS N N 24 122.092 122.092 119.717 2.375 18411 3507 1 5 . 1 1 24 24 LYS HA H 24 4.267 4.267 4.210 0.057 18411 3508 1 5 . 1 1 24 24 LYS C C 24 175.350 175.350 176.040 -0.690 18411 3509 1 5 . 1 1 24 24 LYS CA C 24 57.060 57.060 56.503 0.557 18411 3510 1 5 . 1 1 24 24 LYS CB C 24 33.271 33.271 32.971 0.300 18411 3511 1 5 . 1 1 24 24 LYS H H 24 7.881 7.881 8.033 -0.152 18411 3512 1 5 . 1 1 25 25 GLN N N 25 119.585 119.585 120.911 -1.326 18411 3513 1 5 . 1 1 25 25 GLN HA H 25 5.561 5.561 4.991 0.570 18411 3514 1 5 . 1 1 25 25 GLN C C 25 176.631 176.631 175.348 1.283 18411 3515 1 5 . 1 1 25 25 GLN CA C 25 54.572 54.572 54.797 -0.226 18411 3516 1 5 . 1 1 25 25 GLN CB C 25 31.621 31.621 30.193 1.428 18411 3517 1 5 . 1 1 25 25 GLN H H 25 8.365 8.365 8.507 -0.142 18411 3518 1 5 . 1 1 26 26 VAL N N 26 123.115 123.115 126.891 -3.776 18411 3519 1 5 . 1 1 26 26 VAL HA H 26 4.466 4.466 4.503 -0.037 18411 3520 1 5 . 1 1 26 26 VAL C C 26 174.390 174.390 173.842 0.548 18411 3521 1 5 . 1 1 26 26 VAL CA C 26 61.142 61.142 59.642 1.500 18411 3522 1 5 . 1 1 26 26 VAL CB C 26 35.962 35.962 34.261 1.700 18411 3523 1 5 . 1 1 26 26 VAL H H 26 9.069 9.069 8.710 0.359 18411 3524 1 5 . 1 1 27 27 THR N N 27 122.509 122.509 123.930 -1.421 18411 3525 1 5 . 1 1 27 27 THR HA H 27 5.437 5.437 5.140 0.297 18411 3526 1 5 . 1 1 27 27 THR C C 27 176.330 176.330 175.919 0.411 18411 3527 1 5 . 1 1 27 27 THR CA C 27 60.068 60.068 60.614 -0.546 18411 3528 1 5 . 1 1 27 27 THR CB C 27 70.655 70.655 70.447 0.208 18411 3529 1 5 . 1 1 27 27 THR H H 27 8.256 8.256 8.572 -0.316 18411 3530 1 5 . 1 1 28 28 LEU N N 28 131.816 131.816 125.946 5.870 18411 3531 1 5 . 1 1 28 28 LEU HA H 28 3.607 3.607 3.777 -0.170 18411 3532 1 5 . 1 1 28 28 LEU C C 28 180.093 180.093 178.519 1.574 18411 3533 1 5 . 1 1 28 28 LEU CA C 28 59.264 59.264 57.646 1.618 18411 3534 1 5 . 1 1 28 28 LEU CB C 28 39.396 39.396 41.316 -1.920 18411 3535 1 5 . 1 1 28 28 LEU H H 28 8.311 8.311 8.405 -0.094 18411 3536 1 5 . 1 1 29 29 SER N N 29 114.727 114.727 115.090 -0.363 18411 3537 1 5 . 1 1 29 29 SER HA H 29 4.003 4.003 4.177 -0.174 18411 3538 1 5 . 1 1 29 29 SER C C 29 177.762 177.762 176.559 1.203 18411 3539 1 5 . 1 1 29 29 SER CA C 29 60.896 60.896 61.218 -0.322 18411 3540 1 5 . 1 1 29 29 SER CB C 29 61.091 61.091 62.537 -1.446 18411 3541 1 5 . 1 1 29 29 SER H H 29 9.491 9.491 8.360 1.131 18411 3542 1 5 . 1 1 30 30 SER N N 30 119.100 119.100 115.633 3.467 18411 3543 1 5 . 1 1 30 30 SER HA H 30 4.476 4.476 4.375 0.101 18411 3544 1 5 . 1 1 30 30 SER C C 30 175.104 175.104 174.941 0.163 18411 3545 1 5 . 1 1 30 30 SER CA C 30 60.661 60.661 59.941 0.720 18411 3546 1 5 . 1 1 30 30 SER CB C 30 63.174 63.174 63.586 -0.411 18411 3547 1 5 . 1 1 30 30 SER H H 30 7.878 7.878 7.700 0.178 18411 3548 1 5 . 1 1 31 31 LEU N N 31 121.415 121.415 118.380 3.035 18411 3549 1 5 . 1 1 31 31 LEU HA H 31 4.258 4.258 4.449 -0.191 18411 3550 1 5 . 1 1 31 31 LEU C C 31 175.710 175.710 176.435 -0.725 18411 3551 1 5 . 1 1 31 31 LEU CA C 31 53.804 53.804 54.089 -0.285 18411 3552 1 5 . 1 1 31 31 LEU CB C 31 41.285 41.285 42.094 -0.809 18411 3553 1 5 . 1 1 31 31 LEU H H 31 8.026 8.026 7.538 0.488 18411 3554 1 5 . 1 1 32 32 ARG N N 32 119.061 119.061 120.038 -0.977 18411 3555 1 5 . 1 1 32 32 ARG HA H 32 4.411 4.411 4.079 0.332 18411 3556 1 5 . 1 1 32 32 ARG C C 32 177.585 177.585 176.920 0.665 18411 3557 1 5 . 1 1 32 32 ARG CA C 32 57.590 57.590 56.944 0.646 18411 3558 1 5 . 1 1 32 32 ARG CB C 32 29.497 29.497 29.149 0.348 18411 3559 1 5 . 1 1 32 32 ARG H H 32 6.788 6.788 7.307 -0.519 18411 3560 1 5 . 1 1 33 33 GLY N N 33 114.033 114.033 112.798 1.235 18411 3561 1 5 . 1 1 33 33 GLY C C 33 173.456 173.456 173.578 -0.122 18411 3562 1 5 . 1 1 33 33 GLY CA C 33 44.684 44.684 44.778 -0.094 18411 3563 1 5 . 1 1 33 33 GLY H H 33 9.120 9.120 8.539 0.581 18411 3564 1 5 . 1 1 34 34 LYS N N 34 120.270 120.270 120.458 -0.188 18411 3565 1 5 . 1 1 34 34 LYS HA H 34 4.606 4.606 4.568 0.038 18411 3566 1 5 . 1 1 34 34 LYS C C 34 175.350 175.350 175.717 -0.367 18411 3567 1 5 . 1 1 34 34 LYS CA C 34 54.786 54.786 54.167 0.619 18411 3568 1 5 . 1 1 34 34 LYS CB C 34 34.125 34.125 35.630 -1.506 18411 3569 1 5 . 1 1 34 34 LYS H H 34 8.146 8.146 7.537 0.609 18411 3570 1 5 . 1 1 35 35 VAL N N 35 122.059 122.059 122.053 0.006 18411 3571 1 5 . 1 1 35 35 VAL HA H 35 4.020 4.020 4.245 -0.225 18411 3572 1 5 . 1 1 35 35 VAL C C 35 174.699 174.699 173.849 0.850 18411 3573 1 5 . 1 1 35 35 VAL CA C 35 63.108 63.108 61.348 1.760 18411 3574 1 5 . 1 1 35 35 VAL CB C 35 33.022 33.022 32.693 0.329 18411 3575 1 5 . 1 1 35 35 VAL H H 35 8.757 8.757 8.198 0.559 18411 3576 1 5 . 1 1 36 36 VAL N N 36 125.815 125.815 129.069 -3.254 18411 3577 1 5 . 1 1 36 36 VAL HA H 36 4.856 4.856 4.940 -0.084 18411 3578 1 5 . 1 1 36 36 VAL C C 36 174.622 174.622 174.138 0.484 18411 3579 1 5 . 1 1 36 36 VAL CA C 36 60.078 60.078 60.178 -0.100 18411 3580 1 5 . 1 1 36 36 VAL CB C 36 35.605 35.605 33.588 2.017 18411 3581 1 5 . 1 1 36 36 VAL H H 36 8.485 8.485 8.838 -0.353 18411 3582 1 5 . 1 1 37 37 MET N N 37 126.478 126.478 128.421 -1.943 18411 3583 1 5 . 1 1 37 37 MET HA H 37 5.383 5.383 5.034 0.349 18411 3584 1 5 . 1 1 37 37 MET C C 37 173.473 173.473 173.598 -0.125 18411 3585 1 5 . 1 1 37 37 MET CA C 37 53.661 53.661 54.232 -0.571 18411 3586 1 5 . 1 1 37 37 MET CB C 37 35.948 35.948 34.882 1.067 18411 3587 1 5 . 1 1 37 37 MET H H 37 8.694 8.694 8.977 -0.283 18411 3588 1 5 . 1 1 38 38 LEU N N 38 124.275 124.275 128.276 -4.001 18411 3589 1 5 . 1 1 38 38 LEU HA H 38 5.100 5.100 5.162 -0.062 18411 3590 1 5 . 1 1 38 38 LEU C C 38 175.828 175.828 175.139 0.689 18411 3591 1 5 . 1 1 38 38 LEU CA C 38 52.144 52.144 53.054 -0.910 18411 3592 1 5 . 1 1 38 38 LEU CB C 38 42.898 42.898 43.019 -0.121 18411 3593 1 5 . 1 1 38 38 LEU H H 38 9.181 9.181 9.258 -0.077 18411 3594 1 5 . 1 1 39 39 GLN N N 39 124.390 124.390 122.029 2.361 18411 3595 1 5 . 1 1 39 39 GLN HA H 39 5.369 5.369 5.011 0.358 18411 3596 1 5 . 1 1 39 39 GLN C C 39 175.696 175.696 174.547 1.149 18411 3597 1 5 . 1 1 39 39 GLN CA C 39 54.025 54.025 52.898 1.127 18411 3598 1 5 . 1 1 39 39 GLN CB C 39 28.735 28.735 30.903 -2.168 18411 3599 1 5 . 1 1 39 39 GLN H H 39 8.325 8.325 8.038 0.287 18411 3600 1 5 . 1 1 40 40 PHE N N 40 128.800 128.800 124.742 4.058 18411 3601 1 5 . 1 1 40 40 PHE HA H 40 5.182 5.182 5.692 -0.510 18411 3602 1 5 . 1 1 40 40 PHE C C 40 175.432 175.432 176.045 -0.613 18411 3603 1 5 . 1 1 40 40 PHE CA C 40 59.370 59.370 57.510 1.860 18411 3604 1 5 . 1 1 40 40 PHE CB C 40 39.256 39.256 40.058 -0.802 18411 3605 1 5 . 1 1 40 40 PHE H H 40 8.899 8.899 9.466 -0.567 18411 3606 1 5 . 1 1 41 41 THR N N 41 117.616 117.616 116.381 1.235 18411 3607 1 5 . 1 1 41 41 THR HA H 41 5.274 5.274 4.662 0.612 18411 3608 1 5 . 1 1 41 41 THR C C 41 170.795 170.795 172.559 -1.764 18411 3609 1 5 . 1 1 41 41 THR CA C 41 59.448 59.448 59.367 0.081 18411 3610 1 5 . 1 1 41 41 THR CB C 41 70.892 70.892 71.427 -0.535 18411 3611 1 5 . 1 1 41 41 THR H H 41 8.589 8.589 8.964 -0.375 18411 3612 1 5 . 1 1 42 42 ALA N N 42 122.005 122.005 124.010 -2.005 18411 3613 1 5 . 1 1 42 42 ALA HA H 42 4.162 4.162 4.984 -0.822 18411 3614 1 5 . 1 1 42 42 ALA C C 42 177.618 177.618 176.155 1.463 18411 3615 1 5 . 1 1 42 42 ALA CA C 42 52.454 52.454 49.570 2.884 18411 3616 1 5 . 1 1 42 42 ALA CB C 42 20.704 20.704 21.037 -0.333 18411 3617 1 5 . 1 1 42 42 ALA H H 42 7.201 7.201 8.138 -0.937 18411 3618 1 5 . 1 1 43 43 SER N N 43 117.426 117.426 117.348 0.078 18411 3619 1 5 . 1 1 43 43 SER HA H 43 1.542 1.542 2.788 -1.246 18411 3620 1 5 . 1 1 43 43 SER C C 43 174.845 174.845 173.330 1.515 18411 3621 1 5 . 1 1 43 43 SER CA C 43 60.202 60.202 58.517 1.685 18411 3622 1 5 . 1 1 43 43 SER CB C 43 63.040 63.040 61.701 1.339 18411 3623 1 5 . 1 1 43 43 SER H H 43 9.472 9.472 8.680 0.792 18411 3624 1 5 . 1 1 44 44 TRP N N 44 116.512 116.512 115.487 1.025 18411 3625 1 5 . 1 1 44 44 TRP HA H 44 4.495 4.495 4.768 -0.273 18411 3626 1 5 . 1 1 44 44 TRP C C 44 176.297 176.297 175.336 0.961 18411 3627 1 5 . 1 1 44 44 TRP CA C 44 53.405 53.405 55.259 -1.854 18411 3628 1 5 . 1 1 44 44 TRP CB C 44 29.450 29.450 29.424 0.026 18411 3629 1 5 . 1 1 44 44 TRP H H 44 6.345 6.345 6.716 -0.371 18411 3630 1 5 . 1 1 45 45 CYS N N 45 125.015 125.015 122.444 2.571 18411 3631 1 5 . 1 1 45 45 CYS HA H 45 4.501 4.501 4.547 -0.046 18411 3632 1 5 . 1 1 45 45 CYS C C 45 176.409 176.409 176.548 -0.139 18411 3633 1 5 . 1 1 45 45 CYS CA C 45 58.904 58.904 59.509 -0.605 18411 3634 1 5 . 1 1 45 45 CYS CB C 45 28.203 28.203 28.035 0.168 18411 3635 1 5 . 1 1 45 45 CYS H H 45 6.982 6.982 7.521 -0.539 18411 3636 1 5 . 1 1 46 46 GLY CA C 46 47.225 47.225 46.404 0.821 18411 3637 1 5 . 1 1 47 47 VAL HA H 47 3.804 3.804 3.741 0.063 18411 3638 1 5 . 1 1 47 47 VAL CA C 47 66.661 66.661 65.363 1.298 18411 3639 1 5 . 1 1 47 47 VAL CB C 47 31.506 31.506 31.433 0.073 18411 3640 1 5 . 1 1 48 48 CYS HA H 48 3.875 3.875 4.423 -0.548 18411 3641 1 5 . 1 1 48 48 CYS C C 48 177.961 177.961 176.887 1.074 18411 3642 1 5 . 1 1 48 48 CYS CA C 48 65.053 65.053 61.718 3.335 18411 3643 1 5 . 1 1 48 48 CYS CB C 48 28.741 28.741 26.761 1.980 18411 3644 1 5 . 1 1 49 49 ARG N N 49 115.039 115.039 116.774 -1.735 18411 3645 1 5 . 1 1 49 49 ARG HA H 49 3.898 3.898 4.058 -0.160 18411 3646 1 5 . 1 1 49 49 ARG C C 49 177.871 177.871 176.825 1.046 18411 3647 1 5 . 1 1 49 49 ARG CA C 49 59.837 59.837 58.174 1.663 18411 3648 1 5 . 1 1 49 49 ARG CB C 49 30.585 30.585 29.589 0.996 18411 3649 1 5 . 1 1 49 49 ARG H H 49 7.658 7.658 7.492 0.166 18411 3650 1 5 . 1 1 50 50 LYS N N 50 117.909 117.909 117.914 -0.005 18411 3651 1 5 . 1 1 50 50 LYS HA H 50 4.098 4.098 4.204 -0.106 18411 3652 1 5 . 1 1 50 50 LYS C C 50 177.723 177.723 177.959 -0.236 18411 3653 1 5 . 1 1 50 50 LYS CA C 50 58.198 58.198 58.028 0.170 18411 3654 1 5 . 1 1 50 50 LYS CB C 50 32.803 32.803 33.348 -0.545 18411 3655 1 5 . 1 1 50 50 LYS H H 50 7.385 7.385 7.605 -0.220 18411 3656 1 5 . 1 1 51 51 GLU N N 51 117.196 117.196 119.948 -2.752 18411 3657 1 5 . 1 1 51 51 GLU HA H 51 3.453 3.453 3.486 -0.033 18411 3658 1 5 . 1 1 51 51 GLU C C 51 179.194 179.194 178.900 0.294 18411 3659 1 5 . 1 1 51 51 GLU CA C 51 57.754 57.754 59.103 -1.349 18411 3660 1 5 . 1 1 51 51 GLU CB C 51 29.825 29.825 29.194 0.631 18411 3661 1 5 . 1 1 51 51 GLU H H 51 7.764 7.764 8.016 -0.252 18411 3662 1 5 . 1 1 52 52 MET N N 52 118.785 118.785 119.683 -0.898 18411 3663 1 5 . 1 1 52 52 MET HA H 52 3.979 3.979 4.662 -0.683 18411 3664 1 5 . 1 1 52 52 MET C C 52 174.346 174.346 175.803 -1.457 18411 3665 1 5 . 1 1 52 52 MET CA C 52 62.384 62.384 61.251 1.133 18411 3666 1 5 . 1 1 52 52 MET CB C 52 32.805 32.805 30.771 2.034 18411 3667 1 5 . 1 1 52 52 MET H H 52 8.100 8.100 8.149 -0.049 18411 3668 1 5 . 1 1 53 53 PRO HA H 53 4.299 4.299 4.268 0.031 18411 3669 1 5 . 1 1 53 53 PRO C C 53 179.242 179.242 179.584 -0.342 18411 3670 1 5 . 1 1 53 53 PRO CA C 53 65.708 65.708 66.469 -0.761 18411 3671 1 5 . 1 1 53 53 PRO CB C 53 31.570 31.570 31.465 0.105 18411 3672 1 5 . 1 1 54 54 PHE N N 54 116.067 116.067 116.998 -0.931 18411 3673 1 5 . 1 1 54 54 PHE HA H 54 4.372 4.372 4.304 0.068 18411 3674 1 5 . 1 1 54 54 PHE C C 54 178.283 178.283 178.133 0.150 18411 3675 1 5 . 1 1 54 54 PHE CA C 54 61.249 61.249 62.839 -1.589 18411 3676 1 5 . 1 1 54 54 PHE CB C 54 38.366 38.366 38.683 -0.317 18411 3677 1 5 . 1 1 54 54 PHE H H 54 7.251 7.251 7.803 -0.552 18411 3678 1 5 . 1 1 55 55 ILE N N 55 122.051 122.051 120.669 1.382 18411 3679 1 5 . 1 1 55 55 ILE HA H 55 3.746 3.746 3.850 -0.104 18411 3680 1 5 . 1 1 55 55 ILE C C 55 179.005 179.005 178.147 0.858 18411 3681 1 5 . 1 1 55 55 ILE CA C 55 66.678 66.678 66.244 0.434 18411 3682 1 5 . 1 1 55 55 ILE CB C 55 37.449 37.449 37.863 -0.414 18411 3683 1 5 . 1 1 55 55 ILE H H 55 7.935 7.935 9.103 -1.168 18411 3684 1 5 . 1 1 56 56 GLU N N 56 120.941 120.941 119.979 0.962 18411 3685 1 5 . 1 1 56 56 GLU HA H 56 4.578 4.578 4.312 0.266 18411 3686 1 5 . 1 1 56 56 GLU C C 56 177.034 177.034 178.619 -1.585 18411 3687 1 5 . 1 1 56 56 GLU CA C 56 59.607 59.607 59.825 -0.218 18411 3688 1 5 . 1 1 56 56 GLU CB C 56 29.640 29.640 29.346 0.294 18411 3689 1 5 . 1 1 56 56 GLU H H 56 8.657 8.657 8.598 0.059 18411 3690 1 5 . 1 1 57 57 LYS N N 57 114.712 114.712 118.749 -4.037 18411 3691 1 5 . 1 1 57 57 LYS HA H 57 4.165 4.165 3.982 0.183 18411 3692 1 5 . 1 1 57 57 LYS C C 57 177.831 177.831 179.047 -1.216 18411 3693 1 5 . 1 1 57 57 LYS CA C 57 59.905 59.905 59.652 0.253 18411 3694 1 5 . 1 1 57 57 LYS CB C 57 33.873 33.873 32.527 1.346 18411 3695 1 5 . 1 1 57 57 LYS H H 57 7.719 7.719 8.222 -0.503 18411 3696 1 5 . 1 1 58 58 ASP N N 58 114.953 114.953 115.599 -0.646 18411 3697 1 5 . 1 1 58 58 ASP HA H 58 4.843 4.843 4.799 0.044 18411 3698 1 5 . 1 1 58 58 ASP C C 58 176.515 176.515 178.521 -2.006 18411 3699 1 5 . 1 1 58 58 ASP CA C 58 56.125 56.125 55.424 0.701 18411 3700 1 5 . 1 1 58 58 ASP CB C 58 42.087 42.087 42.410 -0.323 18411 3701 1 5 . 1 1 58 58 ASP H H 58 8.783 8.783 8.361 0.422 18411 3702 1 5 . 1 1 59 59 ILE N N 59 115.807 115.807 120.858 -5.051 18411 3703 1 5 . 1 1 59 59 ILE HA H 59 4.268 4.268 4.201 0.067 18411 3704 1 5 . 1 1 59 59 ILE C C 59 176.369 176.369 176.799 -0.430 18411 3705 1 5 . 1 1 59 59 ILE CA C 59 63.757 63.757 63.699 0.058 18411 3706 1 5 . 1 1 59 59 ILE CB C 59 40.396 40.396 39.120 1.276 18411 3707 1 5 . 1 1 59 59 ILE H H 59 7.455 7.455 8.100 -0.645 18411 3708 1 5 . 1 1 60 60 TRP N N 60 120.937 120.937 121.969 -1.032 18411 3709 1 5 . 1 1 60 60 TRP HA H 60 4.727 4.727 4.457 0.270 18411 3710 1 5 . 1 1 60 60 TRP C C 60 177.428 177.428 178.182 -0.754 18411 3711 1 5 . 1 1 60 60 TRP CA C 60 60.644 60.644 60.186 0.458 18411 3712 1 5 . 1 1 60 60 TRP CB C 60 30.907 30.907 31.030 -0.123 18411 3713 1 5 . 1 1 60 60 TRP H H 60 9.012 9.012 8.818 0.194 18411 3714 1 5 . 1 1 61 61 LEU N N 61 113.624 113.624 119.422 -5.798 18411 3715 1 5 . 1 1 61 61 LEU HA H 61 3.572 3.572 3.988 -0.416 18411 3716 1 5 . 1 1 61 61 LEU C C 61 179.473 179.473 178.184 1.289 18411 3717 1 5 . 1 1 61 61 LEU CA C 61 57.569 57.569 57.479 0.090 18411 3718 1 5 . 1 1 61 61 LEU CB C 61 41.040 41.040 41.405 -0.365 18411 3719 1 5 . 1 1 61 61 LEU H H 61 9.210 9.210 8.449 0.761 18411 3720 1 5 . 1 1 62 62 LYS N N 62 112.991 112.991 116.512 -3.521 18411 3721 1 5 . 1 1 62 62 LYS HA H 62 3.889 3.889 3.997 -0.108 18411 3722 1 5 . 1 1 62 62 LYS C C 62 178.111 178.111 176.781 1.330 18411 3723 1 5 . 1 1 62 62 LYS CA C 62 56.667 56.667 57.383 -0.716 18411 3724 1 5 . 1 1 62 62 LYS CB C 62 31.651 31.651 32.402 -0.751 18411 3725 1 5 . 1 1 62 62 LYS H H 62 6.216 6.216 7.627 -1.411 18411 3726 1 5 . 1 1 63 63 HIS N N 63 114.656 114.656 115.076 -0.420 18411 3727 1 5 . 1 1 63 63 HIS HA H 63 4.943 4.943 4.546 0.397 18411 3728 1 5 . 1 1 63 63 HIS C C 63 177.057 177.057 175.048 2.009 18411 3729 1 5 . 1 1 63 63 HIS CA C 63 56.133 56.133 55.892 0.241 18411 3730 1 5 . 1 1 63 63 HIS CB C 63 33.235 33.235 31.951 1.284 18411 3731 1 5 . 1 1 63 63 HIS H H 63 7.067 7.067 7.180 -0.113 18411 3732 1 5 . 1 1 64 64 LYS N N 64 119.155 119.155 118.093 1.062 18411 3733 1 5 . 1 1 64 64 LYS HA H 64 3.513 3.513 2.058 1.455 18411 3734 1 5 . 1 1 64 64 LYS C C 64 177.074 177.074 176.818 0.256 18411 3735 1 5 . 1 1 64 64 LYS CA C 64 59.166 59.166 58.399 0.767 18411 3736 1 5 . 1 1 64 64 LYS CB C 64 28.740 28.740 30.515 -1.775 18411 3737 1 5 . 1 1 64 64 LYS H H 64 8.114 8.114 8.088 0.026 18411 3738 1 5 . 1 1 65 65 ASP N N 65 117.882 117.882 120.316 -2.434 18411 3739 1 5 . 1 1 65 65 ASP HA H 65 4.714 4.714 4.597 0.117 18411 3740 1 5 . 1 1 65 65 ASP C C 65 175.195 175.195 177.648 -2.453 18411 3741 1 5 . 1 1 65 65 ASP CA C 65 54.204 54.204 55.586 -1.382 18411 3742 1 5 . 1 1 65 65 ASP CB C 65 40.564 40.564 42.807 -2.243 18411 3743 1 5 . 1 1 65 65 ASP H H 65 7.963 7.963 8.015 -0.052 18411 3744 1 5 . 1 1 66 66 ASN N N 66 122.091 122.091 116.904 5.187 18411 3745 1 5 . 1 1 66 66 ASN HA H 66 4.659 4.659 4.271 0.388 18411 3746 1 5 . 1 1 66 66 ASN C C 66 176.046 176.046 175.054 0.992 18411 3747 1 5 . 1 1 66 66 ASN CA C 66 52.799 52.799 54.864 -2.065 18411 3748 1 5 . 1 1 66 66 ASN CB C 66 39.054 39.054 38.091 0.963 18411 3749 1 5 . 1 1 66 66 ASN H H 66 8.184 8.184 8.336 -0.152 18411 3750 1 5 . 1 1 67 67 ALA N N 67 128.893 128.893 115.551 13.342 18411 3751 1 5 . 1 1 67 67 ALA HA H 67 4.295 4.295 3.887 0.408 18411 3752 1 5 . 1 1 67 67 ALA C C 67 177.886 177.886 176.473 1.413 18411 3753 1 5 . 1 1 67 67 ALA CA C 67 54.049 54.049 54.293 -0.244 18411 3754 1 5 . 1 1 67 67 ALA CB C 67 18.549 18.549 18.491 0.058 18411 3755 1 5 . 1 1 67 67 ALA H H 67 8.806 8.806 7.871 0.935 18411 3756 1 5 . 1 1 68 68 ASP N N 68 116.612 116.612 117.867 -1.255 18411 3757 1 5 . 1 1 68 68 ASP HA H 68 4.823 4.823 4.975 -0.152 18411 3758 1 5 . 1 1 68 68 ASP C C 68 173.310 173.310 173.616 -0.306 18411 3759 1 5 . 1 1 68 68 ASP CA C 68 54.202 54.202 54.037 0.165 18411 3760 1 5 . 1 1 68 68 ASP CB C 68 40.892 40.892 43.499 -2.607 18411 3761 1 5 . 1 1 68 68 ASP H H 68 8.759 8.759 8.035 0.724 18411 3762 1 5 . 1 1 69 69 PHE N N 69 119.640 119.640 122.645 -3.005 18411 3763 1 5 . 1 1 69 69 PHE HA H 69 5.741 5.741 5.109 0.632 18411 3764 1 5 . 1 1 69 69 PHE C C 69 173.860 173.860 173.442 0.418 18411 3765 1 5 . 1 1 69 69 PHE CA C 69 56.192 56.192 56.270 -0.078 18411 3766 1 5 . 1 1 69 69 PHE CB C 69 43.496 43.496 41.235 2.261 18411 3767 1 5 . 1 1 69 69 PHE H H 69 7.912 7.912 7.905 0.007 18411 3768 1 5 . 1 1 70 70 ALA N N 70 130.226 130.226 132.969 -2.743 18411 3769 1 5 . 1 1 70 70 ALA HA H 70 4.321 4.321 4.737 -0.416 18411 3770 1 5 . 1 1 70 70 ALA C C 70 171.945 171.945 174.738 -2.793 18411 3771 1 5 . 1 1 70 70 ALA CA C 70 51.573 51.573 50.492 1.081 18411 3772 1 5 . 1 1 70 70 ALA CB C 70 23.273 23.273 20.501 2.772 18411 3773 1 5 . 1 1 70 70 ALA H H 70 8.298 8.298 8.989 -0.691 18411 3774 1 5 . 1 1 71 71 LEU N N 71 122.090 122.090 126.681 -4.591 18411 3775 1 5 . 1 1 71 71 LEU HA H 71 5.120 5.120 4.957 0.163 18411 3776 1 5 . 1 1 71 71 LEU C C 71 174.836 174.836 175.246 -0.410 18411 3777 1 5 . 1 1 71 71 LEU CA C 71 53.348 53.348 53.666 -0.318 18411 3778 1 5 . 1 1 71 71 LEU CB C 71 46.617 46.617 43.786 2.831 18411 3779 1 5 . 1 1 71 71 LEU H H 71 7.217 7.217 8.567 -1.350 18411 3780 1 5 . 1 1 72 72 ILE N N 72 123.189 123.189 125.724 -2.535 18411 3781 1 5 . 1 1 72 72 ILE HA H 72 4.336 4.336 4.688 -0.352 18411 3782 1 5 . 1 1 72 72 ILE C C 72 175.377 175.377 174.911 0.466 18411 3783 1 5 . 1 1 72 72 ILE CA C 72 60.236 60.236 59.752 0.484 18411 3784 1 5 . 1 1 72 72 ILE CB C 72 42.355 42.355 41.437 0.918 18411 3785 1 5 . 1 1 72 72 ILE H H 72 8.211 8.211 8.890 -0.679 18411 3786 1 5 . 1 1 73 73 GLY N N 73 114.189 114.189 114.813 -0.624 18411 3787 1 5 . 1 1 73 73 GLY C C 73 172.626 172.626 173.277 -0.651 18411 3788 1 5 . 1 1 73 73 GLY CA C 73 44.213 44.213 43.993 0.220 18411 3789 1 5 . 1 1 73 73 GLY H H 73 9.202 9.202 8.642 0.560 18411 3790 1 5 . 1 1 74 74 ILE N N 74 126.577 126.577 127.991 -1.414 18411 3791 1 5 . 1 1 74 74 ILE HA H 74 3.873 3.873 4.547 -0.674 18411 3792 1 5 . 1 1 74 74 ILE C C 74 174.792 174.792 174.887 -0.095 18411 3793 1 5 . 1 1 74 74 ILE CA C 74 61.660 61.660 60.787 0.873 18411 3794 1 5 . 1 1 74 74 ILE CB C 74 37.394 37.394 38.274 -0.880 18411 3795 1 5 . 1 1 74 74 ILE H H 74 9.279 9.279 9.122 0.157 18411 3796 1 5 . 1 1 75 75 ASP N N 75 129.040 129.040 128.621 0.419 18411 3797 1 5 . 1 1 75 75 ASP HA H 75 5.213 5.213 5.250 -0.037 18411 3798 1 5 . 1 1 75 75 ASP C C 75 175.696 175.696 176.105 -0.409 18411 3799 1 5 . 1 1 75 75 ASP CA C 75 52.425 52.425 53.738 -1.313 18411 3800 1 5 . 1 1 75 75 ASP CB C 75 41.673 41.673 43.433 -1.760 18411 3801 1 5 . 1 1 75 75 ASP H H 75 8.592 8.592 8.594 -0.002 18411 3802 1 5 . 1 1 76 76 ARG N N 76 128.762 128.762 123.788 4.974 18411 3803 1 5 . 1 1 76 76 ARG HA H 76 4.346 4.346 4.282 0.064 18411 3804 1 5 . 1 1 76 76 ARG C C 76 174.562 174.562 177.484 -2.922 18411 3805 1 5 . 1 1 76 76 ARG CA C 76 58.885 58.885 58.157 0.728 18411 3806 1 5 . 1 1 76 76 ARG CB C 76 32.732 32.732 30.697 2.035 18411 3807 1 5 . 1 1 76 76 ARG H H 76 8.842 8.842 8.197 0.645 18411 3808 1 5 . 1 1 77 77 ASP N N 77 128.451 128.451 117.564 10.887 18411 3809 1 5 . 1 1 77 77 ASP HA H 77 4.473 4.473 4.654 -0.181 18411 3810 1 5 . 1 1 77 77 ASP C C 77 173.969 173.969 176.177 -2.208 18411 3811 1 5 . 1 1 77 77 ASP CA C 77 56.139 56.139 54.382 1.757 18411 3812 1 5 . 1 1 77 77 ASP CB C 77 42.541 42.541 39.892 2.649 18411 3813 1 5 . 1 1 77 77 ASP H H 77 8.256 8.256 8.446 -0.190 18411 3814 1 5 . 1 1 78 78 GLU N N 78 114.796 114.796 120.865 -6.069 18411 3815 1 5 . 1 1 78 78 GLU HA H 78 5.060 5.060 4.692 0.368 18411 3816 1 5 . 1 1 78 78 GLU C C 78 174.225 174.225 174.511 -0.286 18411 3817 1 5 . 1 1 78 78 GLU CA C 78 54.220 54.220 53.890 0.330 18411 3818 1 5 . 1 1 78 78 GLU CB C 78 32.842 32.842 30.400 2.442 18411 3819 1 5 . 1 1 78 78 GLU H H 78 8.010 8.010 7.542 0.468 18411 3820 1 5 . 1 1 79 79 PRO HA H 79 4.579 4.579 4.596 -0.017 18411 3821 1 5 . 1 1 79 79 PRO C C 79 177.508 177.508 177.692 -0.184 18411 3822 1 5 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.343 -0.276 18411 3823 1 5 . 1 1 79 79 PRO CB C 79 33.096 33.096 32.823 0.273 18411 3824 1 5 . 1 1 80 80 LEU N N 80 122.209 122.209 121.167 1.042 18411 3825 1 5 . 1 1 80 80 LEU HA H 80 3.927 3.927 3.924 0.003 18411 3826 1 5 . 1 1 80 80 LEU C C 80 177.847 177.847 178.791 -0.944 18411 3827 1 5 . 1 1 80 80 LEU CA C 80 59.188 59.188 59.207 -0.019 18411 3828 1 5 . 1 1 80 80 LEU CB C 80 42.001 42.001 41.043 0.958 18411 3829 1 5 . 1 1 80 80 LEU H H 80 8.943 8.943 8.452 0.491 18411 3830 1 5 . 1 1 81 81 GLU N N 81 115.361 115.361 118.159 -2.798 18411 3831 1 5 . 1 1 81 81 GLU HA H 81 3.999 3.999 4.000 -0.001 18411 3832 1 5 . 1 1 81 81 GLU C C 81 180.044 180.044 179.080 0.964 18411 3833 1 5 . 1 1 81 81 GLU CA C 81 60.552 60.552 59.516 1.036 18411 3834 1 5 . 1 1 81 81 GLU CB C 81 28.723 28.723 28.585 0.138 18411 3835 1 5 . 1 1 81 81 GLU H H 81 9.534 9.534 8.968 0.566 18411 3836 1 5 . 1 1 82 82 LYS N N 82 118.582 118.582 120.552 -1.970 18411 3837 1 5 . 1 1 82 82 LYS HA H 82 4.183 4.183 4.118 0.065 18411 3838 1 5 . 1 1 82 82 LYS C C 82 179.226 179.226 178.852 0.374 18411 3839 1 5 . 1 1 82 82 LYS CA C 82 58.248 58.248 58.606 -0.358 18411 3840 1 5 . 1 1 82 82 LYS CB C 82 32.912 32.912 31.558 1.353 18411 3841 1 5 . 1 1 82 82 LYS H H 82 7.332 7.332 7.993 -0.661 18411 3842 1 5 . 1 1 83 83 VAL N N 83 122.971 122.971 120.392 2.579 18411 3843 1 5 . 1 1 83 83 VAL HA H 83 3.554 3.554 3.700 -0.146 18411 3844 1 5 . 1 1 83 83 VAL C C 83 178.331 178.331 178.785 -0.454 18411 3845 1 5 . 1 1 83 83 VAL CA C 83 67.063 67.063 66.514 0.549 18411 3846 1 5 . 1 1 83 83 VAL CB C 83 31.497 31.497 31.704 -0.207 18411 3847 1 5 . 1 1 83 83 VAL H H 83 7.743 7.743 7.878 -0.135 18411 3848 1 5 . 1 1 84 84 LEU N N 84 119.209 119.209 119.624 -0.415 18411 3849 1 5 . 1 1 84 84 LEU HA H 84 4.030 4.030 3.993 0.037 18411 3850 1 5 . 1 1 84 84 LEU C C 84 180.647 180.647 178.848 1.799 18411 3851 1 5 . 1 1 84 84 LEU CA C 84 57.975 57.975 58.262 -0.287 18411 3852 1 5 . 1 1 84 84 LEU CB C 84 42.010 42.010 41.069 0.941 18411 3853 1 5 . 1 1 84 84 LEU H H 84 8.706 8.706 8.484 0.222 18411 3854 1 5 . 1 1 85 85 ALA N N 85 120.801 120.801 121.633 -0.832 18411 3855 1 5 . 1 1 85 85 ALA HA H 85 4.198 4.198 4.062 0.136 18411 3856 1 5 . 1 1 85 85 ALA C C 85 180.253 180.253 178.994 1.259 18411 3857 1 5 . 1 1 85 85 ALA CA C 85 54.947 54.947 54.916 0.031 18411 3858 1 5 . 1 1 85 85 ALA CB C 85 17.973 17.973 18.475 -0.502 18411 3859 1 5 . 1 1 85 85 ALA H H 85 7.440 7.440 7.860 -0.420 18411 3860 1 5 . 1 1 86 86 PHE N N 86 123.035 123.035 119.660 3.375 18411 3861 1 5 . 1 1 86 86 PHE HA H 86 4.905 4.905 4.157 0.748 18411 3862 1 5 . 1 1 86 86 PHE C C 86 179.015 179.015 176.630 2.385 18411 3863 1 5 . 1 1 86 86 PHE CA C 86 56.648 56.648 60.759 -4.111 18411 3864 1 5 . 1 1 86 86 PHE CB C 86 39.249 39.249 39.635 -0.386 18411 3865 1 5 . 1 1 86 86 PHE H H 86 8.040 8.040 8.385 -0.345 18411 3866 1 5 . 1 1 87 87 ALA N N 87 123.932 123.932 121.855 2.077 18411 3867 1 5 . 1 1 87 87 ALA HA H 87 3.480 3.480 3.858 -0.378 18411 3868 1 5 . 1 1 87 87 ALA C C 87 179.800 179.800 179.661 0.139 18411 3869 1 5 . 1 1 87 87 ALA CA C 87 55.183 55.183 54.912 0.271 18411 3870 1 5 . 1 1 87 87 ALA CB C 87 17.602 17.602 18.494 -0.892 18411 3871 1 5 . 1 1 87 87 ALA H H 87 8.453 8.453 8.411 0.042 18411 3872 1 5 . 1 1 88 88 LYS N N 88 116.535 116.535 116.777 -0.242 18411 3873 1 5 . 1 1 88 88 LYS HA H 88 4.030 4.030 3.940 0.090 18411 3874 1 5 . 1 1 88 88 LYS C C 88 179.562 179.562 178.071 1.491 18411 3875 1 5 . 1 1 88 88 LYS CA C 88 59.063 59.063 58.670 0.392 18411 3876 1 5 . 1 1 88 88 LYS CB C 88 32.466 32.466 31.884 0.582 18411 3877 1 5 . 1 1 88 88 LYS H H 88 7.664 7.664 7.841 -0.177 18411 3878 1 5 . 1 1 89 89 SER N N 89 113.619 113.619 112.762 0.857 18411 3879 1 5 . 1 1 89 89 SER HA H 89 4.271 4.271 4.316 -0.045 18411 3880 1 5 . 1 1 89 89 SER C C 89 177.004 177.004 174.938 2.066 18411 3881 1 5 . 1 1 89 89 SER CA C 89 61.139 61.139 60.056 1.083 18411 3882 1 5 . 1 1 89 89 SER CB C 89 63.327 63.327 63.546 -0.219 18411 3883 1 5 . 1 1 89 89 SER H H 89 8.417 8.417 7.507 0.910 18411 3884 1 5 . 1 1 90 90 THR N N 90 109.601 109.601 109.064 0.537 18411 3885 1 5 . 1 1 90 90 THR HA H 90 4.287 4.287 4.401 -0.114 18411 3886 1 5 . 1 1 90 90 THR C C 90 176.074 176.074 174.781 1.293 18411 3887 1 5 . 1 1 90 90 THR CA C 90 62.926 62.926 60.525 2.401 18411 3888 1 5 . 1 1 90 90 THR CB C 90 70.563 70.563 69.770 0.793 18411 3889 1 5 . 1 1 90 90 THR H H 90 7.710 7.710 7.521 0.189 18411 3890 1 5 . 1 1 91 91 GLY N N 91 110.243 110.243 110.636 -0.393 18411 3891 1 5 . 1 1 91 91 GLY C C 91 174.815 174.815 173.821 0.994 18411 3892 1 5 . 1 1 91 91 GLY CA C 91 46.042 46.042 45.451 0.591 18411 3893 1 5 . 1 1 91 91 GLY H H 91 7.609 7.609 7.374 0.235 18411 3894 1 5 . 1 1 92 92 VAL N N 92 112.099 112.099 121.983 -9.884 18411 3895 1 5 . 1 1 92 92 VAL HA H 92 4.309 4.309 3.307 1.002 18411 3896 1 5 . 1 1 92 92 VAL C C 92 178.372 178.372 175.525 2.847 18411 3897 1 5 . 1 1 92 92 VAL CA C 92 60.696 60.696 63.006 -2.310 18411 3898 1 5 . 1 1 92 92 VAL CB C 92 32.337 32.337 29.126 3.211 18411 3899 1 5 . 1 1 92 92 VAL H H 92 7.046 7.046 7.842 -0.796 18411 3900 1 5 . 1 1 93 93 THR N N 93 114.289 114.289 117.550 -3.261 18411 3901 1 5 . 1 1 93 93 THR HA H 93 4.457 4.457 4.456 0.001 18411 3902 1 5 . 1 1 93 93 THR C C 93 175.115 175.115 173.773 1.342 18411 3903 1 5 . 1 1 93 93 THR CA C 93 61.280 61.280 62.940 -1.660 18411 3904 1 5 . 1 1 93 93 THR CB C 93 70.314 70.314 69.590 0.724 18411 3905 1 5 . 1 1 93 93 THR H H 93 10.844 10.844 9.129 1.715 18411 3906 1 5 . 1 1 94 94 TYR N N 94 122.050 122.050 119.382 2.668 18411 3907 1 5 . 1 1 94 94 TYR HA H 94 3.740 3.740 4.565 -0.825 18411 3908 1 5 . 1 1 94 94 TYR C C 94 171.563 171.563 172.794 -1.231 18411 3909 1 5 . 1 1 94 94 TYR CA C 94 53.080 53.080 52.865 0.215 18411 3910 1 5 . 1 1 94 94 TYR CB C 94 34.195 34.195 37.065 -2.870 18411 3911 1 5 . 1 1 94 94 TYR H H 94 6.391 6.391 6.682 -0.291 18411 3912 1 5 . 1 1 95 95 PRO HA H 95 4.105 4.105 4.314 -0.209 18411 3913 1 5 . 1 1 95 95 PRO C C 95 175.152 175.152 175.523 -0.371 18411 3914 1 5 . 1 1 95 95 PRO CA C 95 63.799 63.799 62.868 0.931 18411 3915 1 5 . 1 1 95 95 PRO CB C 95 32.919 32.919 32.273 0.646 18411 3916 1 5 . 1 1 96 96 LEU N N 96 122.325 122.325 122.950 -0.625 18411 3917 1 5 . 1 1 96 96 LEU HA H 96 5.143 5.143 5.206 -0.063 18411 3918 1 5 . 1 1 96 96 LEU C C 96 176.072 176.072 176.575 -0.503 18411 3919 1 5 . 1 1 96 96 LEU CA C 96 52.794 52.794 53.456 -0.662 18411 3920 1 5 . 1 1 96 96 LEU CB C 96 45.567 45.567 45.413 0.154 18411 3921 1 5 . 1 1 96 96 LEU H H 96 8.256 8.256 8.359 -0.103 18411 3922 1 5 . 1 1 97 97 GLY N N 97 107.295 107.295 107.445 -0.150 18411 3923 1 5 . 1 1 97 97 GLY C C 97 171.546 171.546 172.096 -0.550 18411 3924 1 5 . 1 1 97 97 GLY CA C 97 44.069 44.069 43.389 0.680 18411 3925 1 5 . 1 1 97 97 GLY H H 97 9.177 9.177 8.972 0.205 18411 3926 1 5 . 1 1 98 98 LEU N N 98 118.550 118.550 115.345 3.205 18411 3927 1 5 . 1 1 98 98 LEU HA H 98 4.872 4.872 5.713 -0.841 18411 3928 1 5 . 1 1 98 98 LEU C C 98 176.132 176.132 174.853 1.279 18411 3929 1 5 . 1 1 98 98 LEU CA C 98 54.460 54.460 52.896 1.564 18411 3930 1 5 . 1 1 98 98 LEU CB C 98 43.567 43.567 45.197 -1.630 18411 3931 1 5 . 1 1 98 98 LEU H H 98 8.106 8.106 8.344 -0.238 18411 3932 1 5 . 1 1 99 99 ASP N N 99 118.061 118.061 122.625 -4.564 18411 3933 1 5 . 1 1 99 99 ASP HA H 99 5.403 5.403 5.070 0.333 18411 3934 1 5 . 1 1 99 99 ASP C C 99 175.069 175.069 173.871 1.198 18411 3935 1 5 . 1 1 99 99 ASP CA C 99 51.057 51.057 50.678 0.379 18411 3936 1 5 . 1 1 99 99 ASP CB C 99 42.069 42.069 42.582 -0.513 18411 3937 1 5 . 1 1 99 99 ASP H H 99 8.481 8.481 8.656 -0.175 18411 3938 1 5 . 1 1 100 100 PRO HA H 100 4.564 4.564 4.272 0.292 18411 3939 1 5 . 1 1 100 100 PRO C C 100 179.600 179.600 177.231 2.369 18411 3940 1 5 . 1 1 100 100 PRO CA C 100 64.020 64.020 63.190 0.830 18411 3941 1 5 . 1 1 100 100 PRO CB C 100 31.455 31.455 31.015 0.440 18411 3942 1 5 . 1 1 101 101 GLY N N 101 114.780 114.780 113.210 1.570 18411 3943 1 5 . 1 1 101 101 GLY C C 101 173.600 173.600 174.251 -0.651 18411 3944 1 5 . 1 1 101 101 GLY CA C 101 46.175 46.175 44.992 1.183 18411 3945 1 5 . 1 1 101 101 GLY H H 101 9.045 9.045 9.676 -0.631 18411 3946 1 5 . 1 1 102 102 ALA N N 102 117.089 117.089 121.662 -4.573 18411 3947 1 5 . 1 1 102 102 ALA HA H 102 4.376 4.376 4.051 0.326 18411 3948 1 5 . 1 1 102 102 ALA C C 102 175.955 175.955 177.141 -1.186 18411 3949 1 5 . 1 1 102 102 ALA CA C 102 52.693 52.693 52.841 -0.148 18411 3950 1 5 . 1 1 102 102 ALA CB C 102 18.256 18.256 17.329 0.927 18411 3951 1 5 . 1 1 102 102 ALA H H 102 8.257 8.257 7.923 0.334 18411 3952 1 5 . 1 1 103 103 ASP N N 103 118.691 118.691 118.907 -0.216 18411 3953 1 5 . 1 1 103 103 ASP HA H 103 4.444 4.444 4.460 -0.016 18411 3954 1 5 . 1 1 103 103 ASP C C 103 179.021 179.021 177.752 1.269 18411 3955 1 5 . 1 1 103 103 ASP CA C 103 57.935 57.935 56.815 1.121 18411 3956 1 5 . 1 1 103 103 ASP CB C 103 41.368 41.368 41.502 -0.134 18411 3957 1 5 . 1 1 103 103 ASP H H 103 6.739 6.739 8.186 -1.447 18411 3958 1 5 . 1 1 104 104 ILE N N 104 126.075 126.075 119.730 6.345 18411 3959 1 5 . 1 1 104 104 ILE HA H 104 3.682 3.682 3.754 -0.072 18411 3960 1 5 . 1 1 104 104 ILE C C 104 179.321 179.321 177.535 1.786 18411 3961 1 5 . 1 1 104 104 ILE CA C 104 66.522 66.522 62.753 3.769 18411 3962 1 5 . 1 1 104 104 ILE CB C 104 36.754 36.754 36.974 -0.220 18411 3963 1 5 . 1 1 104 104 ILE H H 104 11.476 11.476 8.623 2.853 18411 3964 1 5 . 1 1 105 105 PHE N N 105 124.513 124.513 119.699 4.814 18411 3965 1 5 . 1 1 105 105 PHE HA H 105 3.646 3.646 3.550 0.096 18411 3966 1 5 . 1 1 105 105 PHE C C 105 177.818 177.818 176.274 1.544 18411 3967 1 5 . 1 1 105 105 PHE CA C 105 62.948 62.948 60.896 2.052 18411 3968 1 5 . 1 1 105 105 PHE CB C 105 38.350 38.350 39.407 -1.057 18411 3969 1 5 . 1 1 105 105 PHE H H 105 9.473 9.473 8.840 0.633 18411 3970 1 5 . 1 1 106 106 ALA N N 106 115.835 115.835 120.029 -4.194 18411 3971 1 5 . 1 1 106 106 ALA HA H 106 4.927 4.927 4.617 0.310 18411 3972 1 5 . 1 1 106 106 ALA C C 106 179.271 179.271 178.647 0.624 18411 3973 1 5 . 1 1 106 106 ALA CA C 106 52.672 52.672 53.807 -1.135 18411 3974 1 5 . 1 1 106 106 ALA CB C 106 19.093 19.093 18.413 0.680 18411 3975 1 5 . 1 1 106 106 ALA H H 106 8.418 8.418 7.533 0.885 18411 3976 1 5 . 1 1 107 107 LYS N N 107 116.823 116.823 116.400 0.423 18411 3977 1 5 . 1 1 107 107 LYS HA H 107 4.145 4.145 3.996 0.149 18411 3978 1 5 . 1 1 107 107 LYS C C 107 176.006 176.006 176.593 -0.587 18411 3979 1 5 . 1 1 107 107 LYS CA C 107 57.980 57.980 58.047 -0.067 18411 3980 1 5 . 1 1 107 107 LYS CB C 107 33.041 33.041 32.288 0.754 18411 3981 1 5 . 1 1 107 107 LYS H H 107 8.106 8.106 7.502 0.604 18411 3982 1 5 . 1 1 108 108 TYR N N 108 114.793 114.793 115.113 -0.320 18411 3983 1 5 . 1 1 108 108 TYR HA H 108 4.311 4.311 4.593 -0.282 18411 3984 1 5 . 1 1 108 108 TYR C C 108 176.010 176.010 174.080 1.930 18411 3985 1 5 . 1 1 108 108 TYR CA C 108 59.270 59.270 58.909 0.361 18411 3986 1 5 . 1 1 108 108 TYR CB C 108 40.965 40.965 41.952 -0.987 18411 3987 1 5 . 1 1 108 108 TYR H H 108 7.811 7.811 7.510 0.301 18411 3988 1 5 . 1 1 109 109 ALA N N 109 125.709 125.709 119.204 6.505 18411 3989 1 5 . 1 1 109 109 ALA HA H 109 4.760 4.760 4.859 -0.099 18411 3990 1 5 . 1 1 109 109 ALA C C 109 174.711 174.711 174.838 -0.127 18411 3991 1 5 . 1 1 109 109 ALA CA C 109 50.276 50.276 49.489 0.787 18411 3992 1 5 . 1 1 109 109 ALA CB C 109 21.924 21.924 21.681 0.243 18411 3993 1 5 . 1 1 109 109 ALA H H 109 8.595 8.595 7.959 0.636 18411 3994 1 5 . 1 1 110 110 LEU N N 110 117.834 117.834 120.931 -3.097 18411 3995 1 5 . 1 1 110 110 LEU HA H 110 4.137 4.137 4.217 -0.080 18411 3996 1 5 . 1 1 110 110 LEU C C 110 179.153 179.153 178.601 0.552 18411 3997 1 5 . 1 1 110 110 LEU CA C 110 55.164 55.164 55.903 -0.739 18411 3998 1 5 . 1 1 110 110 LEU CB C 110 42.292 42.292 42.564 -0.272 18411 3999 1 5 . 1 1 110 110 LEU H H 110 7.814 7.814 8.356 -0.542 18411 4000 1 5 . 1 1 111 111 ARG N N 111 119.787 119.787 123.197 -3.410 18411 4001 1 5 . 1 1 111 111 ARG HA H 111 3.916 3.916 4.171 -0.255 18411 4002 1 5 . 1 1 111 111 ARG C C 111 176.962 176.962 177.315 -0.353 18411 4003 1 5 . 1 1 111 111 ARG CA C 111 60.538 60.538 59.674 0.864 18411 4004 1 5 . 1 1 111 111 ARG CB C 111 30.424 30.424 30.043 0.381 18411 4005 1 5 . 1 1 111 111 ARG H H 111 8.655 8.655 9.037 -0.382 18411 4006 1 5 . 1 1 112 112 ASP N N 112 113.338 113.338 118.308 -4.970 18411 4007 1 5 . 1 1 112 112 ASP HA H 112 4.662 4.662 4.660 0.002 18411 4008 1 5 . 1 1 112 112 ASP C C 112 176.387 176.387 175.355 1.032 18411 4009 1 5 . 1 1 112 112 ASP CA C 112 52.833 52.833 54.215 -1.382 18411 4010 1 5 . 1 1 112 112 ASP CB C 112 40.135 40.135 39.973 0.162 18411 4011 1 5 . 1 1 112 112 ASP H H 112 8.205 8.205 8.555 -0.350 18411 4012 1 5 . 1 1 113 113 ALA N N 113 122.885 122.885 121.784 1.101 18411 4013 1 5 . 1 1 113 113 ALA HA H 113 4.347 4.347 4.616 -0.269 18411 4014 1 5 . 1 1 113 113 ALA C C 113 177.740 177.740 176.853 0.887 18411 4015 1 5 . 1 1 113 113 ALA CA C 113 51.983 51.983 50.789 1.194 18411 4016 1 5 . 1 1 113 113 ALA CB C 113 20.558 20.558 21.075 -0.517 18411 4017 1 5 . 1 1 113 113 ALA H H 113 7.919 7.919 7.507 0.412 18411 4018 1 5 . 1 1 114 114 GLY CA C 114 45.480 45.480 45.438 0.042 18411 4019 1 5 . 1 1 115 115 ILE N N 115 122.165 122.165 123.318 -1.153 18411 4020 1 5 . 1 1 115 115 ILE HA H 115 4.119 4.119 3.697 0.422 18411 4021 1 5 . 1 1 115 115 ILE CA C 115 60.788 60.788 62.552 -1.764 18411 4022 1 5 . 1 1 115 115 ILE CB C 115 39.651 39.651 38.197 1.454 18411 4023 1 5 . 1 1 115 115 ILE H H 115 8.253 8.253 8.132 0.121 18411 4024 1 5 . 1 1 116 116 THR N N 116 110.198 110.198 119.349 -9.151 18411 4025 1 5 . 1 1 116 116 THR HA H 116 4.101 4.101 4.644 -0.543 18411 4026 1 5 . 1 1 116 116 THR CA C 116 62.947 62.947 63.249 -0.302 18411 4027 1 5 . 1 1 116 116 THR CB C 116 69.031 69.031 67.713 1.318 18411 4028 1 5 . 1 1 116 116 THR H H 116 7.033 7.033 7.959 -0.926 18411 4029 1 5 . 1 1 117 117 ARG N N 117 130.624 130.624 125.291 5.333 18411 4030 1 5 . 1 1 117 117 ARG HA H 117 4.997 4.997 4.894 0.103 18411 4031 1 5 . 1 1 117 117 ARG C C 117 173.296 173.296 174.418 -1.122 18411 4032 1 5 . 1 1 117 117 ARG CA C 117 56.468 56.468 53.778 2.690 18411 4033 1 5 . 1 1 117 117 ARG CB C 117 31.949 31.949 34.231 -2.282 18411 4034 1 5 . 1 1 117 117 ARG H H 117 8.250 8.250 8.139 0.111 18411 4035 1 5 . 1 1 118 118 ASN N N 118 118.226 118.226 122.390 -4.164 18411 4036 1 5 . 1 1 118 118 ASN HA H 118 6.127 6.127 5.154 0.973 18411 4037 1 5 . 1 1 118 118 ASN C C 118 173.805 173.805 174.017 -0.212 18411 4038 1 5 . 1 1 118 118 ASN CA C 118 51.759 51.759 53.135 -1.376 18411 4039 1 5 . 1 1 118 118 ASN CB C 118 41.892 41.892 40.303 1.589 18411 4040 1 5 . 1 1 118 118 ASN H H 118 7.730 7.730 9.124 -1.394 18411 4041 1 5 . 1 1 119 119 VAL N N 119 120.477 120.477 123.425 -2.948 18411 4042 1 5 . 1 1 119 119 VAL HA H 119 4.766 4.766 4.584 0.182 18411 4043 1 5 . 1 1 119 119 VAL C C 119 173.809 173.809 173.771 0.038 18411 4044 1 5 . 1 1 119 119 VAL CA C 119 60.808 60.808 61.428 -0.620 18411 4045 1 5 . 1 1 119 119 VAL CB C 119 35.887 35.887 34.027 1.860 18411 4046 1 5 . 1 1 119 119 VAL H H 119 9.269 9.269 9.095 0.174 18411 4047 1 5 . 1 1 120 120 LEU N N 120 128.017 128.017 129.653 -1.636 18411 4048 1 5 . 1 1 120 120 LEU HA H 120 5.350 5.350 5.023 0.327 18411 4049 1 5 . 1 1 120 120 LEU C C 120 174.606 174.606 174.589 0.017 18411 4050 1 5 . 1 1 120 120 LEU CA C 120 53.563 53.563 53.426 0.137 18411 4051 1 5 . 1 1 120 120 LEU CB C 120 46.211 46.211 44.903 1.308 18411 4052 1 5 . 1 1 120 120 LEU H H 120 8.829 8.829 8.990 -0.161 18411 4053 1 5 . 1 1 121 121 ILE N N 121 131.629 131.629 127.305 4.324 18411 4054 1 5 . 1 1 121 121 ILE HA H 121 4.799 4.799 4.807 -0.008 18411 4055 1 5 . 1 1 121 121 ILE C C 121 174.731 174.731 175.301 -0.570 18411 4056 1 5 . 1 1 121 121 ILE CA C 121 60.450 60.450 60.252 0.198 18411 4057 1 5 . 1 1 121 121 ILE CB C 121 41.651 41.651 39.430 2.221 18411 4058 1 5 . 1 1 121 121 ILE H H 121 9.659 9.659 9.283 0.376 18411 4059 1 5 . 1 1 122 122 ASP N N 122 124.197 124.197 126.402 -2.205 18411 4060 1 5 . 1 1 122 122 ASP HA H 122 4.513 4.513 4.896 -0.383 18411 4061 1 5 . 1 1 122 122 ASP C C 122 177.586 177.586 177.641 -0.055 18411 4062 1 5 . 1 1 122 122 ASP CA C 122 52.442 52.442 52.927 -0.485 18411 4063 1 5 . 1 1 122 122 ASP CB C 122 41.476 41.476 43.106 -1.630 18411 4064 1 5 . 1 1 122 122 ASP H H 122 9.128 9.128 9.018 0.110 18411 4065 1 5 . 1 1 123 123 ARG N N 123 113.396 113.396 118.026 -4.630 18411 4066 1 5 . 1 1 123 123 ARG HA H 123 4.186 4.186 4.075 0.111 18411 4067 1 5 . 1 1 123 123 ARG C C 123 178.717 178.717 177.442 1.275 18411 4068 1 5 . 1 1 123 123 ARG CA C 123 58.243 58.243 58.958 -0.715 18411 4069 1 5 . 1 1 123 123 ARG CB C 123 30.783 30.783 29.710 1.073 18411 4070 1 5 . 1 1 123 123 ARG H H 123 7.870 7.870 8.759 -0.889 18411 4071 1 5 . 1 1 124 124 GLU N N 124 117.427 117.427 118.766 -1.339 18411 4072 1 5 . 1 1 124 124 GLU HA H 124 4.310 4.310 4.173 0.137 18411 4073 1 5 . 1 1 124 124 GLU C C 124 176.034 176.034 177.220 -1.186 18411 4074 1 5 . 1 1 124 124 GLU CA C 124 56.164 56.164 56.446 -0.281 18411 4075 1 5 . 1 1 124 124 GLU CB C 124 30.541 30.541 29.408 1.133 18411 4076 1 5 . 1 1 124 124 GLU H H 124 8.155 8.155 8.614 -0.459 18411 4077 1 5 . 1 1 125 125 GLY N N 125 105.681 105.681 106.964 -1.283 18411 4078 1 5 . 1 1 125 125 GLY C C 125 174.204 174.204 173.759 0.445 18411 4079 1 5 . 1 1 125 125 GLY CA C 125 45.160 45.160 45.183 -0.023 18411 4080 1 5 . 1 1 125 125 GLY H H 125 8.094 8.094 8.175 -0.081 18411 4081 1 5 . 1 1 126 126 LYS N N 126 122.326 122.326 120.610 1.716 18411 4082 1 5 . 1 1 126 126 LYS HA H 126 4.647 4.647 4.981 -0.334 18411 4083 1 5 . 1 1 126 126 LYS C C 126 176.390 176.390 175.832 0.558 18411 4084 1 5 . 1 1 126 126 LYS CA C 126 55.393 55.393 54.883 0.510 18411 4085 1 5 . 1 1 126 126 LYS CB C 126 33.569 33.569 34.626 -1.057 18411 4086 1 5 . 1 1 126 126 LYS H H 126 8.502 8.502 7.886 0.616 18411 4087 1 5 . 1 1 127 127 ILE N N 127 121.946 121.946 123.762 -1.816 18411 4088 1 5 . 1 1 127 127 ILE HA H 127 4.048 4.048 4.456 -0.408 18411 4089 1 5 . 1 1 127 127 ILE C C 127 177.735 177.735 176.879 0.856 18411 4090 1 5 . 1 1 127 127 ILE CA C 127 63.200 63.200 62.096 1.104 18411 4091 1 5 . 1 1 127 127 ILE CB C 127 38.106 38.106 37.224 0.882 18411 4092 1 5 . 1 1 127 127 ILE H H 127 8.739 8.739 9.184 -0.445 18411 4093 1 5 . 1 1 128 128 VAL N N 128 122.026 122.026 123.149 -1.123 18411 4094 1 5 . 1 1 128 128 VAL HA H 128 4.695 4.695 4.307 0.388 18411 4095 1 5 . 1 1 128 128 VAL C C 128 175.968 175.968 175.597 0.371 18411 4096 1 5 . 1 1 128 128 VAL CA C 128 61.535 61.535 62.251 -0.716 18411 4097 1 5 . 1 1 128 128 VAL CB C 128 33.996 33.996 32.581 1.415 18411 4098 1 5 . 1 1 128 128 VAL H H 128 9.397 9.397 8.497 0.900 18411 4099 1 5 . 1 1 129 129 LYS N N 129 121.635 121.635 121.800 -0.165 18411 4100 1 5 . 1 1 129 129 LYS HA H 129 4.359 4.359 4.499 -0.140 18411 4101 1 5 . 1 1 129 129 LYS C C 129 172.896 172.896 173.817 -0.921 18411 4102 1 5 . 1 1 129 129 LYS CA C 129 57.322 57.322 55.630 1.692 18411 4103 1 5 . 1 1 129 129 LYS CB C 129 36.802 36.802 34.644 2.158 18411 4104 1 5 . 1 1 129 129 LYS H H 129 7.708 7.708 7.529 0.179 18411 4105 1 5 . 1 1 130 130 LEU N N 130 126.219 126.219 124.328 1.891 18411 4106 1 5 . 1 1 130 130 LEU HA H 130 5.140 5.140 5.576 -0.436 18411 4107 1 5 . 1 1 130 130 LEU C C 130 176.956 176.956 175.976 0.980 18411 4108 1 5 . 1 1 130 130 LEU CA C 130 53.572 53.572 53.104 0.468 18411 4109 1 5 . 1 1 130 130 LEU CB C 130 44.700 44.700 43.192 1.508 18411 4110 1 5 . 1 1 130 130 LEU H H 130 8.301 8.301 8.299 0.002 18411 4111 1 5 . 1 1 131 131 THR N N 131 113.484 113.484 117.751 -4.267 18411 4112 1 5 . 1 1 131 131 THR HA H 131 5.136 5.136 4.797 0.339 18411 4113 1 5 . 1 1 131 131 THR C C 131 175.492 175.492 173.476 2.016 18411 4114 1 5 . 1 1 131 131 THR CA C 131 61.033 61.033 59.675 1.358 18411 4115 1 5 . 1 1 131 131 THR CB C 131 70.922 70.922 72.120 -1.198 18411 4116 1 5 . 1 1 131 131 THR H H 131 9.298 9.298 8.861 0.437 18411 4117 1 5 . 1 1 132 132 ARG HA H 132 5.150 5.150 4.658 0.492 18411 4118 1 5 . 1 1 132 132 ARG CA C 132 55.585 55.585 55.425 0.160 18411 4119 1 5 . 1 1 132 132 ARG CB C 132 33.035 33.035 29.667 3.368 18411 4120 1 5 . 1 1 133 133 LEU N N 133 118.967 118.967 118.802 0.165 18411 4121 1 5 . 1 1 133 133 LEU HA H 133 4.302 4.302 4.018 0.284 18411 4122 1 5 . 1 1 133 133 LEU CA C 133 56.200 56.200 55.856 0.344 18411 4123 1 5 . 1 1 133 133 LEU CB C 133 41.616 41.616 40.989 0.628 18411 4124 1 5 . 1 1 133 133 LEU H H 133 8.167 8.167 8.429 -0.262 18411 4125 1 5 . 1 1 134 134 TYR N N 134 124.816 124.816 122.359 2.457 18411 4126 1 5 . 1 1 134 134 TYR HA H 134 4.963 4.963 4.282 0.681 18411 4127 1 5 . 1 1 134 134 TYR CA C 134 57.154 57.154 58.427 -1.273 18411 4128 1 5 . 1 1 134 134 TYR CB C 134 38.948 38.948 37.493 1.455 18411 4129 1 5 . 1 1 134 134 TYR H H 134 7.805 7.805 8.410 -0.605 18411 4130 1 5 . 1 1 135 135 ASN HA H 135 4.415 4.415 4.728 -0.313 18411 4131 1 5 . 1 1 135 135 ASN CA C 135 51.995 51.995 51.446 0.549 18411 4132 1 5 . 1 1 135 135 ASN CB C 135 40.521 40.521 40.364 0.157 18411 4133 1 5 . 1 1 136 136 GLU HA H 136 3.694 3.694 3.436 0.258 18411 4134 1 5 . 1 1 136 136 GLU C C 136 178.797 178.797 178.095 0.702 18411 4135 1 5 . 1 1 136 136 GLU CA C 136 61.052 61.052 60.639 0.412 18411 4136 1 5 . 1 1 136 136 GLU CB C 136 29.353 29.353 28.987 0.366 18411 4137 1 5 . 1 1 137 137 GLU N N 137 120.717 120.717 118.504 2.213 18411 4138 1 5 . 1 1 137 137 GLU HA H 137 4.176 4.176 3.911 0.265 18411 4139 1 5 . 1 1 137 137 GLU C C 137 179.707 179.707 178.894 0.813 18411 4140 1 5 . 1 1 137 137 GLU CA C 137 59.800 59.800 60.021 -0.221 18411 4141 1 5 . 1 1 137 137 GLU CB C 137 29.284 29.284 29.040 0.244 18411 4142 1 5 . 1 1 137 137 GLU H H 137 8.364 8.364 8.707 -0.343 18411 4143 1 5 . 1 1 138 138 GLU N N 138 122.448 122.448 120.158 2.290 18411 4144 1 5 . 1 1 138 138 GLU HA H 138 4.190 4.190 4.090 0.100 18411 4145 1 5 . 1 1 138 138 GLU C C 138 179.927 179.927 178.993 0.934 18411 4146 1 5 . 1 1 138 138 GLU CA C 138 59.129 59.129 59.009 0.120 18411 4147 1 5 . 1 1 138 138 GLU CB C 138 30.064 30.064 29.147 0.917 18411 4148 1 5 . 1 1 138 138 GLU H H 138 8.448 8.448 8.147 0.301 18411 4149 1 5 . 1 1 139 139 PHE N N 139 122.454 122.454 120.700 1.754 18411 4150 1 5 . 1 1 139 139 PHE HA H 139 4.171 4.171 4.138 0.033 18411 4151 1 5 . 1 1 139 139 PHE C C 139 177.370 177.370 176.897 0.473 18411 4152 1 5 . 1 1 139 139 PHE CA C 139 62.690 62.690 61.368 1.322 18411 4153 1 5 . 1 1 139 139 PHE CB C 139 39.579 39.579 38.894 0.685 18411 4154 1 5 . 1 1 139 139 PHE H H 139 8.895 8.895 8.815 0.080 18411 4155 1 5 . 1 1 140 140 ALA N N 140 120.155 120.155 121.890 -1.735 18411 4156 1 5 . 1 1 140 140 ALA HA H 140 4.100 4.100 3.893 0.207 18411 4157 1 5 . 1 1 140 140 ALA C C 140 181.270 181.270 179.516 1.754 18411 4158 1 5 . 1 1 140 140 ALA CA C 140 55.203 55.203 55.612 -0.409 18411 4159 1 5 . 1 1 140 140 ALA CB C 140 17.716 17.716 17.954 -0.238 18411 4160 1 5 . 1 1 140 140 ALA H H 140 8.240 8.240 8.646 -0.406 18411 4161 1 5 . 1 1 141 141 SER N N 141 114.095 114.095 115.016 -0.921 18411 4162 1 5 . 1 1 141 141 SER HA H 141 4.267 4.267 4.157 0.110 18411 4163 1 5 . 1 1 141 141 SER C C 141 176.895 176.895 176.561 0.334 18411 4164 1 5 . 1 1 141 141 SER CA C 141 61.291 61.291 62.503 -1.212 18411 4165 1 5 . 1 1 141 141 SER CB C 141 62.690 62.690 62.962 -0.272 18411 4166 1 5 . 1 1 141 141 SER H H 141 7.835 7.835 8.226 -0.391 18411 4167 1 5 . 1 1 142 142 LEU N N 142 126.764 126.764 123.210 3.554 18411 4168 1 5 . 1 1 142 142 LEU HA H 142 3.908 3.908 3.957 -0.049 18411 4169 1 5 . 1 1 142 142 LEU C C 142 176.876 176.876 178.012 -1.136 18411 4170 1 5 . 1 1 142 142 LEU CA C 142 58.757 58.757 58.052 0.705 18411 4171 1 5 . 1 1 142 142 LEU CB C 142 41.653 41.653 41.875 -0.222 18411 4172 1 5 . 1 1 142 142 LEU H H 142 7.833 7.833 8.014 -0.181 18411 4173 1 5 . 1 1 143 143 VAL N N 143 119.066 119.066 118.360 0.706 18411 4174 1 5 . 1 1 143 143 VAL HA H 143 3.174 3.174 3.409 -0.235 18411 4175 1 5 . 1 1 143 143 VAL C C 143 178.479 178.479 178.012 0.467 18411 4176 1 5 . 1 1 143 143 VAL CA C 143 66.864 66.864 66.772 0.091 18411 4177 1 5 . 1 1 143 143 VAL CB C 143 32.350 32.350 31.324 1.026 18411 4178 1 5 . 1 1 143 143 VAL H H 143 8.010 8.010 8.291 -0.281 18411 4179 1 5 . 1 1 144 144 GLN N N 144 118.170 118.170 117.710 0.460 18411 4180 1 5 . 1 1 144 144 GLN HA H 144 4.028 4.028 3.969 0.059 18411 4181 1 5 . 1 1 144 144 GLN C C 144 178.335 178.335 178.463 -0.128 18411 4182 1 5 . 1 1 144 144 GLN CA C 144 59.591 59.591 58.630 0.961 18411 4183 1 5 . 1 1 144 144 GLN CB C 144 32.906 32.906 27.869 5.037 18411 4184 1 5 . 1 1 144 144 GLN H H 144 7.935 7.935 7.947 -0.012 18411 4185 1 5 . 1 1 145 145 GLN N N 145 119.839 119.839 119.957 -0.118 18411 4186 1 5 . 1 1 145 145 GLN HA H 145 4.029 4.029 4.082 -0.053 18411 4187 1 5 . 1 1 145 145 GLN C C 145 178.686 178.686 178.513 0.173 18411 4188 1 5 . 1 1 145 145 GLN CA C 145 59.270 59.270 58.903 0.367 18411 4189 1 5 . 1 1 145 145 GLN CB C 145 27.587 27.587 28.669 -1.082 18411 4190 1 5 . 1 1 145 145 GLN H H 145 7.986 7.986 8.066 -0.080 18411 4191 1 5 . 1 1 146 146 ILE N N 146 119.900 119.900 120.716 -0.816 18411 4192 1 5 . 1 1 146 146 ILE HA H 146 3.345 3.345 3.651 -0.306 18411 4193 1 5 . 1 1 146 146 ILE C C 146 177.393 177.393 178.244 -0.851 18411 4194 1 5 . 1 1 146 146 ILE CA C 146 66.902 66.902 64.753 2.149 18411 4195 1 5 . 1 1 146 146 ILE CB C 146 38.281 38.281 36.889 1.392 18411 4196 1 5 . 1 1 146 146 ILE H H 146 8.171 8.171 8.642 -0.471 18411 4197 1 5 . 1 1 147 147 ASN N N 147 116.163 116.163 117.232 -1.069 18411 4198 1 5 . 1 1 147 147 ASN HA H 147 4.196 4.196 4.430 -0.234 18411 4199 1 5 . 1 1 147 147 ASN C C 147 179.035 179.035 177.534 1.501 18411 4200 1 5 . 1 1 147 147 ASN CA C 147 56.348 56.348 55.897 0.451 18411 4201 1 5 . 1 1 147 147 ASN CB C 147 38.062 38.062 38.058 0.004 18411 4202 1 5 . 1 1 147 147 ASN H H 147 7.896 7.896 8.108 -0.212 18411 4203 1 5 . 1 1 148 148 GLU N N 148 118.645 118.645 120.201 -1.556 18411 4204 1 5 . 1 1 148 148 GLU HA H 148 3.970 3.970 4.140 -0.170 18411 4205 1 5 . 1 1 148 148 GLU C C 148 179.964 179.964 178.763 1.201 18411 4206 1 5 . 1 1 148 148 GLU CA C 148 59.340 59.340 59.007 0.333 18411 4207 1 5 . 1 1 148 148 GLU CB C 148 29.572 29.572 29.950 -0.377 18411 4208 1 5 . 1 1 148 148 GLU H H 148 8.311 8.311 7.674 0.637 18411 4209 1 5 . 1 1 149 149 MET N N 149 119.218 119.218 117.754 1.464 18411 4210 1 5 . 1 1 149 149 MET HA H 149 4.140 4.140 4.273 -0.133 18411 4211 1 5 . 1 1 149 149 MET C C 149 179.419 179.419 178.298 1.121 18411 4212 1 5 . 1 1 149 149 MET CA C 149 59.040 59.040 57.766 1.274 18411 4213 1 5 . 1 1 149 149 MET CB C 149 35.293 35.293 31.957 3.336 18411 4214 1 5 . 1 1 149 149 MET H H 149 8.527 8.527 8.418 0.109 18411 4215 1 5 . 1 1 150 150 LEU N N 150 118.078 118.078 115.269 2.809 18411 4216 1 5 . 1 1 150 150 LEU HA H 150 4.245 4.245 4.156 0.089 18411 4217 1 5 . 1 1 150 150 LEU C C 150 178.141 178.141 178.024 0.117 18411 4218 1 5 . 1 1 150 150 LEU CA C 150 55.824 55.824 56.146 -0.322 18411 4219 1 5 . 1 1 150 150 LEU CB C 150 41.533 41.533 41.179 0.354 18411 4220 1 5 . 1 1 150 150 LEU H H 150 7.917 7.917 7.585 0.332 18411 4221 1 5 . 1 1 151 151 LYS N N 151 120.096 120.096 116.282 3.814 18411 4222 1 5 . 1 1 151 151 LYS HA H 151 4.181 4.181 4.461 -0.280 18411 4223 1 5 . 1 1 151 151 LYS C C 151 177.029 177.029 176.642 0.387 18411 4224 1 5 . 1 1 151 151 LYS CA C 151 57.490 57.490 55.590 1.900 18411 4225 1 5 . 1 1 151 151 LYS CB C 151 32.921 32.921 34.432 -1.511 18411 4226 1 5 . 1 1 151 151 LYS H H 151 7.466 7.466 7.801 -0.335 18411 4227 1 5 . 1 1 152 152 GLU N N 152 120.188 120.188 119.529 0.659 18411 4228 1 5 . 1 1 152 152 GLU HA H 152 4.264 4.264 4.155 0.109 18411 4229 1 5 . 1 1 152 152 GLU C C 152 177.259 177.259 175.473 1.786 18411 4230 1 5 . 1 1 152 152 GLU CA C 152 57.070 57.070 57.574 -0.504 18411 4231 1 5 . 1 1 152 152 GLU CB C 152 30.385 30.385 29.374 1.011 18411 4232 1 5 . 1 1 152 152 GLU H H 152 7.820 7.820 9.087 -1.267 18411 4233 1 5 . 1 1 153 153 GLY N N 153 109.046 109.046 110.896 -1.850 18411 4234 1 5 . 1 1 153 153 GLY C C 153 174.204 174.204 174.191 0.013 18411 4235 1 5 . 1 1 153 153 GLY CA C 153 45.327 45.327 45.132 0.195 18411 4236 1 5 . 1 1 153 153 GLY H H 153 8.278 8.278 8.859 -0.581 18411 4237 1 5 . 1 1 158 158 HIS HA H 158 4.606 4.606 4.664 -0.058 18411 4238 1 5 . 1 1 158 158 HIS C C 158 174.423 174.423 174.147 0.276 18411 4239 1 5 . 1 1 158 158 HIS CA C 158 56.235 56.235 55.673 0.562 18411 4240 1 5 . 1 1 158 158 HIS CB C 158 31.028 31.028 30.576 0.452 18411 4241 1 6 . 1 1 3 3 LEU HA H 3 3.930 3.930 4.643 -0.713 18411 4242 1 6 . 1 1 3 3 LEU CA C 3 58.669 58.669 54.684 3.985 18411 4243 1 6 . 1 1 3 3 LEU CB C 3 42.010 42.010 45.274 -3.264 18411 4244 1 6 . 1 1 4 4 GLY C C 4 173.604 173.604 172.917 0.687 18411 4245 1 6 . 1 1 4 4 GLY CA C 4 46.072 46.072 45.069 1.003 18411 4246 1 6 . 1 1 5 5 TYR N N 5 116.195 116.195 119.740 -3.545 18411 4247 1 6 . 1 1 5 5 TYR HA H 5 4.769 4.769 4.704 0.065 18411 4248 1 6 . 1 1 5 5 TYR C C 5 177.898 177.898 174.766 3.132 18411 4249 1 6 . 1 1 5 5 TYR CA C 5 60.102 60.102 57.499 2.603 18411 4250 1 6 . 1 1 5 5 TYR CB C 5 39.615 39.615 42.928 -3.313 18411 4251 1 6 . 1 1 5 5 TYR H H 5 7.849 7.849 7.831 0.018 18411 4252 1 6 . 1 1 6 6 ILE N N 6 115.338 115.338 118.868 -3.530 18411 4253 1 6 . 1 1 6 6 ILE HA H 6 4.514 4.514 4.546 -0.032 18411 4254 1 6 . 1 1 6 6 ILE C C 6 175.977 175.977 175.823 0.154 18411 4255 1 6 . 1 1 6 6 ILE CA C 6 61.623 61.623 61.257 0.366 18411 4256 1 6 . 1 1 6 6 ILE CB C 6 38.270 38.270 39.075 -0.805 18411 4257 1 6 . 1 1 6 6 ILE H H 6 8.687 8.687 8.782 -0.095 18411 4258 1 6 . 1 1 7 7 VAL N N 7 113.122 113.122 118.736 -5.614 18411 4259 1 6 . 1 1 7 7 VAL HA H 7 4.730 4.730 4.565 0.165 18411 4260 1 6 . 1 1 7 7 VAL C C 7 174.331 174.331 174.718 -0.387 18411 4261 1 6 . 1 1 7 7 VAL CA C 7 58.867 58.867 60.135 -1.268 18411 4262 1 6 . 1 1 7 7 VAL CB C 7 34.475 34.475 33.851 0.624 18411 4263 1 6 . 1 1 7 7 VAL H H 7 6.845 6.845 7.522 -0.677 18411 4264 1 6 . 1 1 8 8 ARG N N 8 117.597 117.597 121.385 -3.788 18411 4265 1 6 . 1 1 8 8 ARG HA H 8 4.539 4.539 4.627 -0.088 18411 4266 1 6 . 1 1 8 8 ARG C C 8 175.618 175.618 175.091 0.527 18411 4267 1 6 . 1 1 8 8 ARG CA C 8 53.717 53.717 54.345 -0.628 18411 4268 1 6 . 1 1 8 8 ARG CB C 8 34.126 34.126 32.720 1.406 18411 4269 1 6 . 1 1 8 8 ARG H H 8 7.978 7.978 8.222 -0.244 18411 4270 1 6 . 1 1 9 9 ILE N N 9 118.377 118.377 121.166 -2.789 18411 4271 1 6 . 1 1 9 9 ILE HA H 9 3.465 3.465 4.016 -0.551 18411 4272 1 6 . 1 1 9 9 ILE C C 9 177.771 177.771 177.295 0.476 18411 4273 1 6 . 1 1 9 9 ILE CA C 9 62.350 62.350 62.419 -0.069 18411 4274 1 6 . 1 1 9 9 ILE CB C 9 37.049 37.049 37.243 -0.194 18411 4275 1 6 . 1 1 9 9 ILE H H 9 8.085 8.085 8.473 -0.388 18411 4276 1 6 . 1 1 10 10 GLY N N 10 115.204 115.204 115.424 -0.220 18411 4277 1 6 . 1 1 10 10 GLY C C 10 174.235 174.235 174.575 -0.340 18411 4278 1 6 . 1 1 10 10 GLY CA C 10 44.763 44.763 44.733 0.031 18411 4279 1 6 . 1 1 10 10 GLY H H 10 9.149 9.149 9.189 -0.040 18411 4280 1 6 . 1 1 11 11 GLU N N 11 119.157 119.157 122.564 -3.407 18411 4281 1 6 . 1 1 11 11 GLU HA H 11 4.392 4.392 4.339 0.053 18411 4282 1 6 . 1 1 11 11 GLU C C 11 176.729 176.729 175.922 0.807 18411 4283 1 6 . 1 1 11 11 GLU CA C 11 55.108 55.108 56.224 -1.116 18411 4284 1 6 . 1 1 11 11 GLU CB C 11 31.473 31.473 30.332 1.141 18411 4285 1 6 . 1 1 11 11 GLU H H 11 7.631 7.631 7.740 -0.109 18411 4286 1 6 . 1 1 12 12 MET N N 12 119.646 119.646 121.352 -1.706 18411 4287 1 6 . 1 1 12 12 MET HA H 12 4.593 4.593 4.489 0.104 18411 4288 1 6 . 1 1 12 12 MET C C 12 177.162 177.162 176.329 0.833 18411 4289 1 6 . 1 1 12 12 MET CA C 12 54.475 54.475 55.393 -0.918 18411 4290 1 6 . 1 1 12 12 MET CB C 12 30.749 30.749 32.783 -2.034 18411 4291 1 6 . 1 1 12 12 MET H H 12 8.566 8.566 8.529 0.037 18411 4292 1 6 . 1 1 13 13 ALA N N 13 129.735 129.735 128.944 0.791 18411 4293 1 6 . 1 1 13 13 ALA HA H 13 4.293 4.293 4.579 -0.286 18411 4294 1 6 . 1 1 13 13 ALA C C 13 175.992 175.992 176.242 -0.250 18411 4295 1 6 . 1 1 13 13 ALA CA C 13 50.676 50.676 50.540 0.136 18411 4296 1 6 . 1 1 13 13 ALA CB C 13 18.125 18.125 18.686 -0.561 18411 4297 1 6 . 1 1 13 13 ALA H H 13 8.626 8.626 8.684 -0.058 18411 4298 1 6 . 1 1 14 14 PRO HA H 14 4.253 4.253 4.316 -0.063 18411 4299 1 6 . 1 1 14 14 PRO C C 14 176.066 176.066 176.060 0.006 18411 4300 1 6 . 1 1 14 14 PRO CA C 14 63.478 63.478 62.772 0.706 18411 4301 1 6 . 1 1 14 14 PRO CB C 14 32.987 32.987 32.151 0.836 18411 4302 1 6 . 1 1 15 15 ASP N N 15 123.075 123.075 121.655 1.420 18411 4303 1 6 . 1 1 15 15 ASP HA H 15 4.700 4.700 4.587 0.113 18411 4304 1 6 . 1 1 15 15 ASP C C 15 176.067 176.067 175.935 0.132 18411 4305 1 6 . 1 1 15 15 ASP CA C 15 53.628 53.628 54.516 -0.888 18411 4306 1 6 . 1 1 15 15 ASP CB C 15 41.613 41.613 42.962 -1.349 18411 4307 1 6 . 1 1 15 15 ASP H H 15 8.373 8.373 8.436 -0.063 18411 4308 1 6 . 1 1 16 16 PHE N N 16 114.256 114.256 114.328 -0.072 18411 4309 1 6 . 1 1 16 16 PHE HA H 16 4.869 4.869 4.804 0.065 18411 4310 1 6 . 1 1 16 16 PHE C C 16 173.028 173.028 173.422 -0.394 18411 4311 1 6 . 1 1 16 16 PHE CA C 16 56.721 56.721 56.894 -0.173 18411 4312 1 6 . 1 1 16 16 PHE CB C 16 40.560 40.560 40.473 0.087 18411 4313 1 6 . 1 1 16 16 PHE H H 16 7.950 7.950 8.016 -0.066 18411 4314 1 6 . 1 1 17 17 THR N N 17 116.459 116.459 117.275 -0.816 18411 4315 1 6 . 1 1 17 17 THR HA H 17 5.244 5.244 4.863 0.381 18411 4316 1 6 . 1 1 17 17 THR C C 17 172.722 172.722 173.847 -1.125 18411 4317 1 6 . 1 1 17 17 THR CA C 17 62.061 62.061 61.925 0.136 18411 4318 1 6 . 1 1 17 17 THR CB C 17 70.882 70.882 69.056 1.826 18411 4319 1 6 . 1 1 17 17 THR H H 17 8.596 8.596 8.732 -0.136 18411 4320 1 6 . 1 1 18 18 ILE N N 18 128.165 128.165 127.447 0.718 18411 4321 1 6 . 1 1 18 18 ILE HA H 18 4.995 4.995 4.592 0.403 18411 4322 1 6 . 1 1 18 18 ILE C C 18 172.309 172.309 174.142 -1.833 18411 4323 1 6 . 1 1 18 18 ILE CA C 18 59.123 59.123 59.703 -0.580 18411 4324 1 6 . 1 1 18 18 ILE CB C 18 43.984 43.984 41.231 2.752 18411 4325 1 6 . 1 1 18 18 ILE H H 18 9.574 9.574 8.944 0.630 18411 4326 1 6 . 1 1 19 19 THR N N 19 124.473 124.473 123.896 0.577 18411 4327 1 6 . 1 1 19 19 THR HA H 19 4.821 4.821 4.845 -0.024 18411 4328 1 6 . 1 1 19 19 THR C C 19 174.104 174.104 174.516 -0.412 18411 4329 1 6 . 1 1 19 19 THR CA C 19 62.316 62.316 62.768 -0.452 18411 4330 1 6 . 1 1 19 19 THR CB C 19 69.287 69.287 69.043 0.244 18411 4331 1 6 . 1 1 19 19 THR H H 19 9.081 9.081 8.698 0.383 18411 4332 1 6 . 1 1 20 20 LEU N N 20 125.167 125.167 127.151 -1.984 18411 4333 1 6 . 1 1 20 20 LEU HA H 20 5.082 5.082 4.755 0.327 18411 4334 1 6 . 1 1 20 20 LEU C C 20 181.023 181.023 179.522 1.501 18411 4335 1 6 . 1 1 20 20 LEU CA C 20 54.191 54.191 54.668 -0.477 18411 4336 1 6 . 1 1 20 20 LEU CB C 20 42.219 42.219 42.784 -0.565 18411 4337 1 6 . 1 1 20 20 LEU H H 20 9.227 9.227 9.139 0.088 18411 4338 1 6 . 1 1 21 21 THR N N 21 109.887 109.887 114.086 -4.199 18411 4339 1 6 . 1 1 21 21 THR HA H 21 3.831 3.831 4.021 -0.190 18411 4340 1 6 . 1 1 21 21 THR C C 21 174.716 174.716 175.220 -0.504 18411 4341 1 6 . 1 1 21 21 THR CA C 21 64.992 64.992 65.917 -0.925 18411 4342 1 6 . 1 1 21 21 THR CB C 21 68.529 68.529 68.329 0.200 18411 4343 1 6 . 1 1 21 21 THR H H 21 8.603 8.603 8.587 0.016 18411 4344 1 6 . 1 1 22 22 ASP N N 22 117.311 117.311 119.864 -2.553 18411 4345 1 6 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.569 0.025 18411 4346 1 6 . 1 1 22 22 ASP C C 22 177.771 177.771 177.247 0.524 18411 4347 1 6 . 1 1 22 22 ASP CA C 22 53.173 53.173 54.101 -0.928 18411 4348 1 6 . 1 1 22 22 ASP CB C 22 40.449 40.449 41.350 -0.901 18411 4349 1 6 . 1 1 22 22 ASP H H 22 7.530 7.530 8.046 -0.516 18411 4350 1 6 . 1 1 23 23 GLY N N 23 108.847 108.847 108.715 0.132 18411 4351 1 6 . 1 1 23 23 GLY C C 23 174.806 174.806 174.630 0.176 18411 4352 1 6 . 1 1 23 23 GLY CA C 23 45.028 45.028 44.806 0.222 18411 4353 1 6 . 1 1 23 23 GLY H H 23 8.203 8.203 7.721 0.482 18411 4354 1 6 . 1 1 24 24 LYS N N 24 122.092 122.092 122.115 -0.023 18411 4355 1 6 . 1 1 24 24 LYS HA H 24 4.267 4.267 4.230 0.037 18411 4356 1 6 . 1 1 24 24 LYS C C 24 175.350 175.350 176.275 -0.925 18411 4357 1 6 . 1 1 24 24 LYS CA C 24 57.060 57.060 55.968 1.092 18411 4358 1 6 . 1 1 24 24 LYS CB C 24 33.271 33.271 32.537 0.734 18411 4359 1 6 . 1 1 24 24 LYS H H 24 7.881 7.881 7.873 0.008 18411 4360 1 6 . 1 1 25 25 GLN N N 25 119.585 119.585 123.964 -4.379 18411 4361 1 6 . 1 1 25 25 GLN HA H 25 5.561 5.561 4.977 0.584 18411 4362 1 6 . 1 1 25 25 GLN C C 25 176.631 176.631 175.363 1.268 18411 4363 1 6 . 1 1 25 25 GLN CA C 25 54.572 54.572 55.481 -0.909 18411 4364 1 6 . 1 1 25 25 GLN CB C 25 31.621 31.621 29.566 2.055 18411 4365 1 6 . 1 1 25 25 GLN H H 25 8.365 8.365 8.609 -0.244 18411 4366 1 6 . 1 1 26 26 VAL N N 26 123.115 123.115 126.316 -3.201 18411 4367 1 6 . 1 1 26 26 VAL HA H 26 4.466 4.466 4.520 -0.054 18411 4368 1 6 . 1 1 26 26 VAL C C 26 174.390 174.390 173.896 0.494 18411 4369 1 6 . 1 1 26 26 VAL CA C 26 61.142 61.142 59.634 1.508 18411 4370 1 6 . 1 1 26 26 VAL CB C 26 35.962 35.962 34.864 1.097 18411 4371 1 6 . 1 1 26 26 VAL H H 26 9.069 9.069 9.083 -0.014 18411 4372 1 6 . 1 1 27 27 THR N N 27 122.509 122.509 123.792 -1.283 18411 4373 1 6 . 1 1 27 27 THR HA H 27 5.437 5.437 5.095 0.342 18411 4374 1 6 . 1 1 27 27 THR C C 27 176.330 176.330 175.557 0.773 18411 4375 1 6 . 1 1 27 27 THR CA C 27 60.068 60.068 60.591 -0.523 18411 4376 1 6 . 1 1 27 27 THR CB C 27 70.655 70.655 70.363 0.292 18411 4377 1 6 . 1 1 27 27 THR H H 27 8.256 8.256 8.551 -0.295 18411 4378 1 6 . 1 1 28 28 LEU N N 28 131.816 131.816 125.216 6.600 18411 4379 1 6 . 1 1 28 28 LEU HA H 28 3.607 3.607 3.831 -0.224 18411 4380 1 6 . 1 1 28 28 LEU C C 28 180.093 180.093 178.276 1.817 18411 4381 1 6 . 1 1 28 28 LEU CA C 28 59.264 59.264 57.194 2.070 18411 4382 1 6 . 1 1 28 28 LEU CB C 28 39.396 39.396 41.754 -2.358 18411 4383 1 6 . 1 1 28 28 LEU H H 28 8.311 8.311 8.487 -0.176 18411 4384 1 6 . 1 1 29 29 SER N N 29 114.727 114.727 114.989 -0.262 18411 4385 1 6 . 1 1 29 29 SER HA H 29 4.003 4.003 4.177 -0.174 18411 4386 1 6 . 1 1 29 29 SER C C 29 177.762 177.762 176.691 1.071 18411 4387 1 6 . 1 1 29 29 SER CA C 29 60.896 60.896 61.205 -0.309 18411 4388 1 6 . 1 1 29 29 SER CB C 29 61.091 61.091 62.447 -1.356 18411 4389 1 6 . 1 1 29 29 SER H H 29 9.491 9.491 8.153 1.338 18411 4390 1 6 . 1 1 30 30 SER N N 30 119.100 119.100 116.751 2.349 18411 4391 1 6 . 1 1 30 30 SER HA H 30 4.476 4.476 4.334 0.142 18411 4392 1 6 . 1 1 30 30 SER C C 30 175.104 175.104 174.941 0.163 18411 4393 1 6 . 1 1 30 30 SER CA C 30 60.661 60.661 60.643 0.018 18411 4394 1 6 . 1 1 30 30 SER CB C 30 63.174 63.174 63.193 -0.019 18411 4395 1 6 . 1 1 30 30 SER H H 30 7.878 7.878 7.676 0.202 18411 4396 1 6 . 1 1 31 31 LEU N N 31 121.415 121.415 118.738 2.677 18411 4397 1 6 . 1 1 31 31 LEU HA H 31 4.258 4.258 4.534 -0.276 18411 4398 1 6 . 1 1 31 31 LEU C C 31 175.710 175.710 175.586 0.124 18411 4399 1 6 . 1 1 31 31 LEU CA C 31 53.804 53.804 53.468 0.336 18411 4400 1 6 . 1 1 31 31 LEU CB C 31 41.285 41.285 41.914 -0.629 18411 4401 1 6 . 1 1 31 31 LEU H H 31 8.026 8.026 7.723 0.303 18411 4402 1 6 . 1 1 32 32 ARG N N 32 119.061 119.061 120.655 -1.594 18411 4403 1 6 . 1 1 32 32 ARG HA H 32 4.411 4.411 4.181 0.230 18411 4404 1 6 . 1 1 32 32 ARG C C 32 177.585 177.585 176.995 0.590 18411 4405 1 6 . 1 1 32 32 ARG CA C 32 57.590 57.590 57.008 0.582 18411 4406 1 6 . 1 1 32 32 ARG CB C 32 29.497 29.497 29.508 -0.011 18411 4407 1 6 . 1 1 32 32 ARG H H 32 6.788 6.788 7.130 -0.342 18411 4408 1 6 . 1 1 33 33 GLY N N 33 114.033 114.033 112.036 1.997 18411 4409 1 6 . 1 1 33 33 GLY C C 33 173.456 173.456 172.952 0.504 18411 4410 1 6 . 1 1 33 33 GLY CA C 33 44.684 44.684 44.800 -0.116 18411 4411 1 6 . 1 1 33 33 GLY H H 33 9.120 9.120 8.150 0.970 18411 4412 1 6 . 1 1 34 34 LYS N N 34 120.270 120.270 119.539 0.731 18411 4413 1 6 . 1 1 34 34 LYS HA H 34 4.606 4.606 4.785 -0.179 18411 4414 1 6 . 1 1 34 34 LYS C C 34 175.350 175.350 176.254 -0.904 18411 4415 1 6 . 1 1 34 34 LYS CA C 34 54.786 54.786 54.405 0.381 18411 4416 1 6 . 1 1 34 34 LYS CB C 34 34.125 34.125 35.475 -1.350 18411 4417 1 6 . 1 1 34 34 LYS H H 34 8.146 8.146 7.697 0.449 18411 4418 1 6 . 1 1 35 35 VAL N N 35 122.059 122.059 124.930 -2.871 18411 4419 1 6 . 1 1 35 35 VAL HA H 35 4.020 4.020 4.179 -0.159 18411 4420 1 6 . 1 1 35 35 VAL C C 35 174.699 174.699 173.844 0.855 18411 4421 1 6 . 1 1 35 35 VAL CA C 35 63.108 63.108 62.229 0.879 18411 4422 1 6 . 1 1 35 35 VAL CB C 35 33.022 33.022 31.958 1.064 18411 4423 1 6 . 1 1 35 35 VAL H H 35 8.757 8.757 8.748 0.009 18411 4424 1 6 . 1 1 36 36 VAL N N 36 125.815 125.815 129.365 -3.550 18411 4425 1 6 . 1 1 36 36 VAL HA H 36 4.856 4.856 4.626 0.230 18411 4426 1 6 . 1 1 36 36 VAL C C 36 174.622 174.622 174.408 0.214 18411 4427 1 6 . 1 1 36 36 VAL CA C 36 60.078 60.078 60.274 -0.196 18411 4428 1 6 . 1 1 36 36 VAL CB C 36 35.605 35.605 33.702 1.903 18411 4429 1 6 . 1 1 36 36 VAL H H 36 8.485 8.485 8.511 -0.026 18411 4430 1 6 . 1 1 37 37 MET N N 37 126.478 126.478 127.699 -1.221 18411 4431 1 6 . 1 1 37 37 MET HA H 37 5.383 5.383 5.023 0.360 18411 4432 1 6 . 1 1 37 37 MET C C 37 173.473 173.473 173.655 -0.182 18411 4433 1 6 . 1 1 37 37 MET CA C 37 53.661 53.661 54.329 -0.668 18411 4434 1 6 . 1 1 37 37 MET CB C 37 35.948 35.948 34.982 0.966 18411 4435 1 6 . 1 1 37 37 MET H H 37 8.694 8.694 8.947 -0.253 18411 4436 1 6 . 1 1 38 38 LEU N N 38 124.275 124.275 128.412 -4.137 18411 4437 1 6 . 1 1 38 38 LEU HA H 38 5.100 5.100 5.085 0.015 18411 4438 1 6 . 1 1 38 38 LEU C C 38 175.828 175.828 175.288 0.540 18411 4439 1 6 . 1 1 38 38 LEU CA C 38 52.144 52.144 53.009 -0.865 18411 4440 1 6 . 1 1 38 38 LEU CB C 38 42.898 42.898 42.626 0.272 18411 4441 1 6 . 1 1 38 38 LEU H H 38 9.181 9.181 9.193 -0.012 18411 4442 1 6 . 1 1 39 39 GLN N N 39 124.390 124.390 122.201 2.189 18411 4443 1 6 . 1 1 39 39 GLN HA H 39 5.369 5.369 4.783 0.586 18411 4444 1 6 . 1 1 39 39 GLN C C 39 175.696 175.696 174.346 1.350 18411 4445 1 6 . 1 1 39 39 GLN CA C 39 54.025 54.025 53.596 0.429 18411 4446 1 6 . 1 1 39 39 GLN CB C 39 28.735 28.735 30.057 -1.322 18411 4447 1 6 . 1 1 39 39 GLN H H 39 8.325 8.325 8.180 0.145 18411 4448 1 6 . 1 1 40 40 PHE N N 40 128.800 128.800 125.753 3.047 18411 4449 1 6 . 1 1 40 40 PHE HA H 40 5.182 5.182 5.499 -0.317 18411 4450 1 6 . 1 1 40 40 PHE C C 40 175.432 175.432 175.721 -0.289 18411 4451 1 6 . 1 1 40 40 PHE CA C 40 59.370 59.370 57.567 1.803 18411 4452 1 6 . 1 1 40 40 PHE CB C 40 39.256 39.256 39.137 0.119 18411 4453 1 6 . 1 1 40 40 PHE H H 40 8.899 8.899 9.371 -0.472 18411 4454 1 6 . 1 1 41 41 THR N N 41 117.616 117.616 116.856 0.760 18411 4455 1 6 . 1 1 41 41 THR HA H 41 5.274 5.274 4.711 0.563 18411 4456 1 6 . 1 1 41 41 THR C C 41 170.795 170.795 172.438 -1.643 18411 4457 1 6 . 1 1 41 41 THR CA C 41 59.448 59.448 58.933 0.515 18411 4458 1 6 . 1 1 41 41 THR CB C 41 70.892 70.892 71.389 -0.497 18411 4459 1 6 . 1 1 41 41 THR H H 41 8.589 8.589 8.930 -0.341 18411 4460 1 6 . 1 1 42 42 ALA N N 42 122.005 122.005 121.423 0.582 18411 4461 1 6 . 1 1 42 42 ALA HA H 42 4.162 4.162 4.912 -0.750 18411 4462 1 6 . 1 1 42 42 ALA C C 42 177.618 177.618 176.441 1.177 18411 4463 1 6 . 1 1 42 42 ALA CA C 42 52.454 52.454 51.083 1.371 18411 4464 1 6 . 1 1 42 42 ALA CB C 42 20.704 20.704 20.894 -0.190 18411 4465 1 6 . 1 1 42 42 ALA H H 42 7.201 7.201 7.955 -0.754 18411 4466 1 6 . 1 1 43 43 SER N N 43 117.426 117.426 118.054 -0.628 18411 4467 1 6 . 1 1 43 43 SER HA H 43 1.542 1.542 2.846 -1.304 18411 4468 1 6 . 1 1 43 43 SER C C 43 174.845 174.845 174.898 -0.053 18411 4469 1 6 . 1 1 43 43 SER CA C 43 60.202 60.202 60.831 -0.630 18411 4470 1 6 . 1 1 43 43 SER CB C 43 63.040 63.040 62.992 0.048 18411 4471 1 6 . 1 1 43 43 SER H H 43 9.472 9.472 8.763 0.709 18411 4472 1 6 . 1 1 44 44 TRP N N 44 116.512 116.512 117.318 -0.806 18411 4473 1 6 . 1 1 44 44 TRP HA H 44 4.495 4.495 4.908 -0.413 18411 4474 1 6 . 1 1 44 44 TRP C C 44 176.297 176.297 175.644 0.653 18411 4475 1 6 . 1 1 44 44 TRP CA C 44 53.405 53.405 54.607 -1.202 18411 4476 1 6 . 1 1 44 44 TRP CB C 44 29.450 29.450 28.792 0.658 18411 4477 1 6 . 1 1 44 44 TRP H H 44 6.345 6.345 7.151 -0.806 18411 4478 1 6 . 1 1 45 45 CYS N N 45 125.015 125.015 121.854 3.161 18411 4479 1 6 . 1 1 45 45 CYS HA H 45 4.501 4.501 4.032 0.469 18411 4480 1 6 . 1 1 45 45 CYS C C 45 176.409 176.409 175.828 0.581 18411 4481 1 6 . 1 1 45 45 CYS CA C 45 58.904 58.904 60.215 -1.311 18411 4482 1 6 . 1 1 45 45 CYS CB C 45 28.203 28.203 28.276 -0.073 18411 4483 1 6 . 1 1 45 45 CYS H H 45 6.982 6.982 7.312 -0.330 18411 4484 1 6 . 1 1 46 46 GLY CA C 46 47.225 47.225 46.291 0.934 18411 4485 1 6 . 1 1 47 47 VAL HA H 47 3.804 3.804 3.824 -0.020 18411 4486 1 6 . 1 1 47 47 VAL CA C 47 66.661 66.661 65.300 1.361 18411 4487 1 6 . 1 1 47 47 VAL CB C 47 31.506 31.506 31.733 -0.227 18411 4488 1 6 . 1 1 48 48 CYS HA H 48 3.875 3.875 4.248 -0.373 18411 4489 1 6 . 1 1 48 48 CYS C C 48 177.961 177.961 176.711 1.250 18411 4490 1 6 . 1 1 48 48 CYS CA C 48 65.053 65.053 62.319 2.734 18411 4491 1 6 . 1 1 48 48 CYS CB C 48 28.741 28.741 26.370 2.371 18411 4492 1 6 . 1 1 49 49 ARG N N 49 115.039 115.039 117.460 -2.421 18411 4493 1 6 . 1 1 49 49 ARG HA H 49 3.898 3.898 4.076 -0.178 18411 4494 1 6 . 1 1 49 49 ARG C C 49 177.871 177.871 176.726 1.145 18411 4495 1 6 . 1 1 49 49 ARG CA C 49 59.837 59.837 58.356 1.481 18411 4496 1 6 . 1 1 49 49 ARG CB C 49 30.585 30.585 29.505 1.080 18411 4497 1 6 . 1 1 49 49 ARG H H 49 7.658 7.658 8.207 -0.549 18411 4498 1 6 . 1 1 50 50 LYS N N 50 117.909 117.909 117.741 0.168 18411 4499 1 6 . 1 1 50 50 LYS HA H 50 4.098 4.098 4.298 -0.200 18411 4500 1 6 . 1 1 50 50 LYS C C 50 177.723 177.723 177.396 0.327 18411 4501 1 6 . 1 1 50 50 LYS CA C 50 58.198 58.198 57.599 0.599 18411 4502 1 6 . 1 1 50 50 LYS CB C 50 32.803 32.803 33.054 -0.251 18411 4503 1 6 . 1 1 50 50 LYS H H 50 7.385 7.385 7.666 -0.281 18411 4504 1 6 . 1 1 51 51 GLU N N 51 117.196 117.196 121.244 -4.048 18411 4505 1 6 . 1 1 51 51 GLU HA H 51 3.453 3.453 3.552 -0.099 18411 4506 1 6 . 1 1 51 51 GLU C C 51 179.194 179.194 178.618 0.576 18411 4507 1 6 . 1 1 51 51 GLU CA C 51 57.754 57.754 59.786 -2.032 18411 4508 1 6 . 1 1 51 51 GLU CB C 51 29.825 29.825 29.664 0.161 18411 4509 1 6 . 1 1 51 51 GLU H H 51 7.764 7.764 7.711 0.053 18411 4510 1 6 . 1 1 52 52 MET N N 52 118.785 118.785 117.667 1.118 18411 4511 1 6 . 1 1 52 52 MET HA H 52 3.979 3.979 4.531 -0.552 18411 4512 1 6 . 1 1 52 52 MET C C 52 174.346 174.346 175.741 -1.395 18411 4513 1 6 . 1 1 52 52 MET CA C 52 62.384 62.384 61.708 0.676 18411 4514 1 6 . 1 1 52 52 MET CB C 52 32.805 32.805 30.937 1.868 18411 4515 1 6 . 1 1 52 52 MET H H 52 8.100 8.100 8.391 -0.291 18411 4516 1 6 . 1 1 53 53 PRO HA H 53 4.299 4.299 4.444 -0.145 18411 4517 1 6 . 1 1 53 53 PRO C C 53 179.242 179.242 179.596 -0.354 18411 4518 1 6 . 1 1 53 53 PRO CA C 53 65.708 65.708 66.072 -0.364 18411 4519 1 6 . 1 1 53 53 PRO CB C 53 31.570 31.570 31.253 0.317 18411 4520 1 6 . 1 1 54 54 PHE N N 54 116.067 116.067 116.866 -0.799 18411 4521 1 6 . 1 1 54 54 PHE HA H 54 4.372 4.372 4.186 0.186 18411 4522 1 6 . 1 1 54 54 PHE C C 54 178.283 178.283 178.037 0.246 18411 4523 1 6 . 1 1 54 54 PHE CA C 54 61.249 61.249 62.486 -1.237 18411 4524 1 6 . 1 1 54 54 PHE CB C 54 38.366 38.366 38.324 0.042 18411 4525 1 6 . 1 1 54 54 PHE H H 54 7.251 7.251 7.720 -0.469 18411 4526 1 6 . 1 1 55 55 ILE N N 55 122.051 122.051 120.690 1.361 18411 4527 1 6 . 1 1 55 55 ILE HA H 55 3.746 3.746 3.956 -0.210 18411 4528 1 6 . 1 1 55 55 ILE C C 55 179.005 179.005 178.240 0.765 18411 4529 1 6 . 1 1 55 55 ILE CA C 55 66.678 66.678 66.209 0.469 18411 4530 1 6 . 1 1 55 55 ILE CB C 55 37.449 37.449 37.874 -0.425 18411 4531 1 6 . 1 1 55 55 ILE H H 55 7.935 7.935 8.658 -0.723 18411 4532 1 6 . 1 1 56 56 GLU N N 56 120.941 120.941 118.681 2.260 18411 4533 1 6 . 1 1 56 56 GLU HA H 56 4.578 4.578 4.303 0.275 18411 4534 1 6 . 1 1 56 56 GLU C C 56 177.034 177.034 178.717 -1.683 18411 4535 1 6 . 1 1 56 56 GLU CA C 56 59.607 59.607 59.605 0.002 18411 4536 1 6 . 1 1 56 56 GLU CB C 56 29.640 29.640 29.239 0.401 18411 4537 1 6 . 1 1 56 56 GLU H H 56 8.657 8.657 8.888 -0.231 18411 4538 1 6 . 1 1 57 57 LYS N N 57 114.712 114.712 120.839 -6.127 18411 4539 1 6 . 1 1 57 57 LYS HA H 57 4.165 4.165 4.035 0.130 18411 4540 1 6 . 1 1 57 57 LYS C C 57 177.831 177.831 178.627 -0.796 18411 4541 1 6 . 1 1 57 57 LYS CA C 57 59.905 59.905 59.942 -0.037 18411 4542 1 6 . 1 1 57 57 LYS CB C 57 33.873 33.873 32.497 1.376 18411 4543 1 6 . 1 1 57 57 LYS H H 57 7.719 7.719 7.788 -0.069 18411 4544 1 6 . 1 1 58 58 ASP N N 58 114.953 114.953 116.817 -1.864 18411 4545 1 6 . 1 1 58 58 ASP HA H 58 4.843 4.843 4.752 0.091 18411 4546 1 6 . 1 1 58 58 ASP C C 58 176.515 176.515 177.270 -0.755 18411 4547 1 6 . 1 1 58 58 ASP CA C 58 56.125 56.125 55.969 0.156 18411 4548 1 6 . 1 1 58 58 ASP CB C 58 42.087 42.087 42.383 -0.295 18411 4549 1 6 . 1 1 58 58 ASP H H 58 8.783 8.783 8.282 0.501 18411 4550 1 6 . 1 1 59 59 ILE N N 59 115.807 115.807 118.730 -2.923 18411 4551 1 6 . 1 1 59 59 ILE HA H 59 4.268 4.268 4.249 0.019 18411 4552 1 6 . 1 1 59 59 ILE C C 59 176.369 176.369 176.985 -0.616 18411 4553 1 6 . 1 1 59 59 ILE CA C 59 63.757 63.757 63.113 0.644 18411 4554 1 6 . 1 1 59 59 ILE CB C 59 40.396 40.396 39.509 0.887 18411 4555 1 6 . 1 1 59 59 ILE H H 59 7.455 7.455 8.146 -0.691 18411 4556 1 6 . 1 1 60 60 TRP N N 60 120.937 120.937 122.325 -1.388 18411 4557 1 6 . 1 1 60 60 TRP HA H 60 4.727 4.727 4.434 0.293 18411 4558 1 6 . 1 1 60 60 TRP C C 60 177.428 177.428 178.421 -0.993 18411 4559 1 6 . 1 1 60 60 TRP CA C 60 60.644 60.644 60.839 -0.195 18411 4560 1 6 . 1 1 60 60 TRP CB C 60 30.907 30.907 30.385 0.522 18411 4561 1 6 . 1 1 60 60 TRP H H 60 9.012 9.012 8.372 0.640 18411 4562 1 6 . 1 1 61 61 LEU N N 61 113.624 113.624 119.206 -5.582 18411 4563 1 6 . 1 1 61 61 LEU HA H 61 3.572 3.572 3.827 -0.255 18411 4564 1 6 . 1 1 61 61 LEU C C 61 179.473 179.473 179.324 0.149 18411 4565 1 6 . 1 1 61 61 LEU CA C 61 57.569 57.569 58.529 -0.960 18411 4566 1 6 . 1 1 61 61 LEU CB C 61 41.040 41.040 41.178 -0.138 18411 4567 1 6 . 1 1 61 61 LEU H H 61 9.210 9.210 8.903 0.307 18411 4568 1 6 . 1 1 62 62 LYS N N 62 112.991 112.991 116.009 -3.018 18411 4569 1 6 . 1 1 62 62 LYS HA H 62 3.889 3.889 3.910 -0.021 18411 4570 1 6 . 1 1 62 62 LYS C C 62 178.111 178.111 177.300 0.811 18411 4571 1 6 . 1 1 62 62 LYS CA C 62 56.667 56.667 58.367 -1.700 18411 4572 1 6 . 1 1 62 62 LYS CB C 62 31.651 31.651 31.730 -0.079 18411 4573 1 6 . 1 1 62 62 LYS H H 62 6.216 6.216 8.414 -2.198 18411 4574 1 6 . 1 1 63 63 HIS N N 63 114.656 114.656 114.481 0.175 18411 4575 1 6 . 1 1 63 63 HIS HA H 63 4.943 4.943 4.596 0.347 18411 4576 1 6 . 1 1 63 63 HIS C C 63 177.057 177.057 175.433 1.624 18411 4577 1 6 . 1 1 63 63 HIS CA C 63 56.133 56.133 56.502 -0.369 18411 4578 1 6 . 1 1 63 63 HIS CB C 63 33.235 33.235 32.855 0.380 18411 4579 1 6 . 1 1 63 63 HIS H H 63 7.067 7.067 7.659 -0.592 18411 4580 1 6 . 1 1 64 64 LYS N N 64 119.155 119.155 117.440 1.715 18411 4581 1 6 . 1 1 64 64 LYS HA H 64 3.513 3.513 2.424 1.089 18411 4582 1 6 . 1 1 64 64 LYS C C 64 177.074 177.074 175.885 1.189 18411 4583 1 6 . 1 1 64 64 LYS CA C 64 59.166 59.166 58.835 0.331 18411 4584 1 6 . 1 1 64 64 LYS CB C 64 28.740 28.740 30.177 -1.437 18411 4585 1 6 . 1 1 64 64 LYS H H 64 8.114 8.114 8.348 -0.234 18411 4586 1 6 . 1 1 65 65 ASP N N 65 117.882 117.882 117.634 0.248 18411 4587 1 6 . 1 1 65 65 ASP HA H 65 4.714 4.714 4.930 -0.216 18411 4588 1 6 . 1 1 65 65 ASP C C 65 175.195 175.195 177.643 -2.448 18411 4589 1 6 . 1 1 65 65 ASP CA C 65 54.204 54.204 54.004 0.200 18411 4590 1 6 . 1 1 65 65 ASP CB C 65 40.564 40.564 44.182 -3.618 18411 4591 1 6 . 1 1 65 65 ASP H H 65 7.963 7.963 8.015 -0.052 18411 4592 1 6 . 1 1 66 66 ASN N N 66 122.091 122.091 117.834 4.257 18411 4593 1 6 . 1 1 66 66 ASN HA H 66 4.659 4.659 4.276 0.383 18411 4594 1 6 . 1 1 66 66 ASN C C 66 176.046 176.046 174.432 1.614 18411 4595 1 6 . 1 1 66 66 ASN CA C 66 52.799 52.799 56.303 -3.504 18411 4596 1 6 . 1 1 66 66 ASN CB C 66 39.054 39.054 37.386 1.667 18411 4597 1 6 . 1 1 66 66 ASN H H 66 8.184 8.184 8.200 -0.016 18411 4598 1 6 . 1 1 67 67 ALA N N 67 128.893 128.893 120.128 8.765 18411 4599 1 6 . 1 1 67 67 ALA HA H 67 4.295 4.295 4.309 -0.014 18411 4600 1 6 . 1 1 67 67 ALA C C 67 177.886 177.886 175.805 2.081 18411 4601 1 6 . 1 1 67 67 ALA CA C 67 54.049 54.049 52.503 1.546 18411 4602 1 6 . 1 1 67 67 ALA CB C 67 18.549 18.549 19.917 -1.368 18411 4603 1 6 . 1 1 67 67 ALA H H 67 8.806 8.806 8.344 0.462 18411 4604 1 6 . 1 1 68 68 ASP N N 68 116.612 116.612 118.755 -2.143 18411 4605 1 6 . 1 1 68 68 ASP HA H 68 4.823 4.823 4.931 -0.108 18411 4606 1 6 . 1 1 68 68 ASP C C 68 173.310 173.310 174.739 -1.429 18411 4607 1 6 . 1 1 68 68 ASP CA C 68 54.202 54.202 53.724 0.478 18411 4608 1 6 . 1 1 68 68 ASP CB C 68 40.892 40.892 43.232 -2.340 18411 4609 1 6 . 1 1 68 68 ASP H H 68 8.759 8.759 8.123 0.636 18411 4610 1 6 . 1 1 69 69 PHE N N 69 119.640 119.640 120.470 -0.830 18411 4611 1 6 . 1 1 69 69 PHE HA H 69 5.741 5.741 5.478 0.263 18411 4612 1 6 . 1 1 69 69 PHE C C 69 173.860 173.860 172.742 1.118 18411 4613 1 6 . 1 1 69 69 PHE CA C 69 56.192 56.192 55.724 0.468 18411 4614 1 6 . 1 1 69 69 PHE CB C 69 43.496 43.496 43.339 0.157 18411 4615 1 6 . 1 1 69 69 PHE H H 69 7.912 7.912 8.016 -0.104 18411 4616 1 6 . 1 1 70 70 ALA N N 70 130.226 130.226 125.655 4.571 18411 4617 1 6 . 1 1 70 70 ALA HA H 70 4.321 4.321 4.583 -0.262 18411 4618 1 6 . 1 1 70 70 ALA C C 70 171.945 171.945 173.905 -1.960 18411 4619 1 6 . 1 1 70 70 ALA CA C 70 51.573 51.573 51.095 0.478 18411 4620 1 6 . 1 1 70 70 ALA CB C 70 23.273 23.273 22.426 0.847 18411 4621 1 6 . 1 1 70 70 ALA H H 70 8.298 8.298 8.261 0.037 18411 4622 1 6 . 1 1 71 71 LEU N N 71 122.090 122.090 124.429 -2.339 18411 4623 1 6 . 1 1 71 71 LEU HA H 71 5.120 5.120 5.084 0.036 18411 4624 1 6 . 1 1 71 71 LEU C C 71 174.836 174.836 174.917 -0.081 18411 4625 1 6 . 1 1 71 71 LEU CA C 71 53.348 53.348 53.876 -0.528 18411 4626 1 6 . 1 1 71 71 LEU CB C 71 46.617 46.617 45.249 1.368 18411 4627 1 6 . 1 1 71 71 LEU H H 71 7.217 7.217 8.588 -1.371 18411 4628 1 6 . 1 1 72 72 ILE N N 72 123.189 123.189 125.319 -2.130 18411 4629 1 6 . 1 1 72 72 ILE HA H 72 4.336 4.336 4.494 -0.158 18411 4630 1 6 . 1 1 72 72 ILE C C 72 175.377 175.377 174.696 0.681 18411 4631 1 6 . 1 1 72 72 ILE CA C 72 60.236 60.236 59.005 1.231 18411 4632 1 6 . 1 1 72 72 ILE CB C 72 42.355 42.355 40.708 1.647 18411 4633 1 6 . 1 1 72 72 ILE H H 72 8.211 8.211 8.926 -0.715 18411 4634 1 6 . 1 1 73 73 GLY N N 73 114.189 114.189 114.922 -0.733 18411 4635 1 6 . 1 1 73 73 GLY C C 73 172.626 172.626 172.602 0.024 18411 4636 1 6 . 1 1 73 73 GLY CA C 73 44.213 44.213 43.967 0.246 18411 4637 1 6 . 1 1 73 73 GLY H H 73 9.202 9.202 8.661 0.541 18411 4638 1 6 . 1 1 74 74 ILE N N 74 126.577 126.577 126.289 0.288 18411 4639 1 6 . 1 1 74 74 ILE HA H 74 3.873 3.873 4.877 -1.004 18411 4640 1 6 . 1 1 74 74 ILE C C 74 174.792 174.792 174.342 0.450 18411 4641 1 6 . 1 1 74 74 ILE CA C 74 61.660 61.660 60.296 1.364 18411 4642 1 6 . 1 1 74 74 ILE CB C 74 37.394 37.394 40.154 -2.760 18411 4643 1 6 . 1 1 74 74 ILE H H 74 9.279 9.279 8.975 0.304 18411 4644 1 6 . 1 1 75 75 ASP N N 75 129.040 129.040 128.622 0.418 18411 4645 1 6 . 1 1 75 75 ASP HA H 75 5.213 5.213 4.924 0.289 18411 4646 1 6 . 1 1 75 75 ASP C C 75 175.696 175.696 174.781 0.915 18411 4647 1 6 . 1 1 75 75 ASP CA C 75 52.425 52.425 53.015 -0.590 18411 4648 1 6 . 1 1 75 75 ASP CB C 75 41.673 41.673 43.202 -1.529 18411 4649 1 6 . 1 1 75 75 ASP H H 75 8.592 8.592 8.868 -0.276 18411 4650 1 6 . 1 1 76 76 ARG N N 76 128.762 128.762 126.698 2.064 18411 4651 1 6 . 1 1 76 76 ARG HA H 76 4.346 4.346 4.253 0.093 18411 4652 1 6 . 1 1 76 76 ARG C C 76 174.562 174.562 176.363 -1.801 18411 4653 1 6 . 1 1 76 76 ARG CA C 76 58.885 58.885 56.789 2.096 18411 4654 1 6 . 1 1 76 76 ARG CB C 76 32.732 32.732 30.379 2.353 18411 4655 1 6 . 1 1 76 76 ARG H H 76 8.842 8.842 8.524 0.318 18411 4656 1 6 . 1 1 77 77 ASP N N 77 128.451 128.451 123.763 4.688 18411 4657 1 6 . 1 1 77 77 ASP HA H 77 4.473 4.473 4.515 -0.042 18411 4658 1 6 . 1 1 77 77 ASP C C 77 173.969 173.969 175.546 -1.577 18411 4659 1 6 . 1 1 77 77 ASP CA C 77 56.139 56.139 56.822 -0.683 18411 4660 1 6 . 1 1 77 77 ASP CB C 77 42.541 42.541 40.349 2.192 18411 4661 1 6 . 1 1 77 77 ASP H H 77 8.256 8.256 8.901 -0.645 18411 4662 1 6 . 1 1 78 78 GLU N N 78 114.796 114.796 120.743 -5.947 18411 4663 1 6 . 1 1 78 78 GLU HA H 78 5.060 5.060 4.537 0.523 18411 4664 1 6 . 1 1 78 78 GLU C C 78 174.225 174.225 175.247 -1.022 18411 4665 1 6 . 1 1 78 78 GLU CA C 78 54.220 54.220 55.361 -1.141 18411 4666 1 6 . 1 1 78 78 GLU CB C 78 32.842 32.842 29.546 3.296 18411 4667 1 6 . 1 1 78 78 GLU H H 78 8.010 8.010 7.543 0.467 18411 4668 1 6 . 1 1 79 79 PRO HA H 79 4.579 4.579 4.545 0.034 18411 4669 1 6 . 1 1 79 79 PRO C C 79 177.508 177.508 177.292 0.216 18411 4670 1 6 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.179 -0.112 18411 4671 1 6 . 1 1 79 79 PRO CB C 79 33.096 33.096 32.806 0.290 18411 4672 1 6 . 1 1 80 80 LEU N N 80 122.209 122.209 121.418 0.791 18411 4673 1 6 . 1 1 80 80 LEU HA H 80 3.927 3.927 4.082 -0.155 18411 4674 1 6 . 1 1 80 80 LEU C C 80 177.847 177.847 178.403 -0.556 18411 4675 1 6 . 1 1 80 80 LEU CA C 80 59.188 59.188 59.124 0.064 18411 4676 1 6 . 1 1 80 80 LEU CB C 80 42.001 42.001 40.922 1.079 18411 4677 1 6 . 1 1 80 80 LEU H H 80 8.943 8.943 8.486 0.457 18411 4678 1 6 . 1 1 81 81 GLU N N 81 115.361 115.361 117.292 -1.931 18411 4679 1 6 . 1 1 81 81 GLU HA H 81 3.999 3.999 4.091 -0.092 18411 4680 1 6 . 1 1 81 81 GLU C C 81 180.044 180.044 178.694 1.350 18411 4681 1 6 . 1 1 81 81 GLU CA C 81 60.552 60.552 59.392 1.160 18411 4682 1 6 . 1 1 81 81 GLU CB C 81 28.723 28.723 28.294 0.429 18411 4683 1 6 . 1 1 81 81 GLU H H 81 9.534 9.534 9.018 0.516 18411 4684 1 6 . 1 1 82 82 LYS N N 82 118.582 118.582 120.158 -1.576 18411 4685 1 6 . 1 1 82 82 LYS HA H 82 4.183 4.183 4.062 0.121 18411 4686 1 6 . 1 1 82 82 LYS C C 82 179.226 179.226 178.683 0.543 18411 4687 1 6 . 1 1 82 82 LYS CA C 82 58.248 58.248 58.550 -0.302 18411 4688 1 6 . 1 1 82 82 LYS CB C 82 32.912 32.912 31.473 1.439 18411 4689 1 6 . 1 1 82 82 LYS H H 82 7.332 7.332 7.994 -0.662 18411 4690 1 6 . 1 1 83 83 VAL N N 83 122.971 122.971 120.028 2.943 18411 4691 1 6 . 1 1 83 83 VAL HA H 83 3.554 3.554 3.731 -0.177 18411 4692 1 6 . 1 1 83 83 VAL C C 83 178.331 178.331 178.764 -0.433 18411 4693 1 6 . 1 1 83 83 VAL CA C 83 67.063 67.063 66.400 0.664 18411 4694 1 6 . 1 1 83 83 VAL CB C 83 31.497 31.497 31.651 -0.154 18411 4695 1 6 . 1 1 83 83 VAL H H 83 7.743 7.743 7.763 -0.020 18411 4696 1 6 . 1 1 84 84 LEU N N 84 119.209 119.209 119.308 -0.099 18411 4697 1 6 . 1 1 84 84 LEU HA H 84 4.030 4.030 4.050 -0.020 18411 4698 1 6 . 1 1 84 84 LEU C C 84 180.647 180.647 178.790 1.857 18411 4699 1 6 . 1 1 84 84 LEU CA C 84 57.975 57.975 57.806 0.169 18411 4700 1 6 . 1 1 84 84 LEU CB C 84 42.010 42.010 41.044 0.966 18411 4701 1 6 . 1 1 84 84 LEU H H 84 8.706 8.706 7.933 0.773 18411 4702 1 6 . 1 1 85 85 ALA N N 85 120.801 120.801 122.509 -1.708 18411 4703 1 6 . 1 1 85 85 ALA HA H 85 4.198 4.198 4.192 0.006 18411 4704 1 6 . 1 1 85 85 ALA C C 85 180.253 180.253 179.379 0.874 18411 4705 1 6 . 1 1 85 85 ALA CA C 85 54.947 54.947 54.826 0.121 18411 4706 1 6 . 1 1 85 85 ALA CB C 85 17.973 17.973 18.304 -0.331 18411 4707 1 6 . 1 1 85 85 ALA H H 85 7.440 7.440 7.825 -0.385 18411 4708 1 6 . 1 1 86 86 PHE N N 86 123.035 123.035 120.526 2.509 18411 4709 1 6 . 1 1 86 86 PHE HA H 86 4.905 4.905 4.054 0.851 18411 4710 1 6 . 1 1 86 86 PHE C C 86 179.015 179.015 176.810 2.205 18411 4711 1 6 . 1 1 86 86 PHE CA C 86 56.648 56.648 61.439 -4.791 18411 4712 1 6 . 1 1 86 86 PHE CB C 86 39.249 39.249 39.310 -0.061 18411 4713 1 6 . 1 1 86 86 PHE H H 86 8.040 8.040 8.741 -0.701 18411 4714 1 6 . 1 1 87 87 ALA N N 87 123.932 123.932 121.278 2.654 18411 4715 1 6 . 1 1 87 87 ALA HA H 87 3.480 3.480 3.799 -0.319 18411 4716 1 6 . 1 1 87 87 ALA C C 87 179.800 179.800 178.974 0.826 18411 4717 1 6 . 1 1 87 87 ALA CA C 87 55.183 55.183 55.054 0.129 18411 4718 1 6 . 1 1 87 87 ALA CB C 87 17.602 17.602 18.488 -0.886 18411 4719 1 6 . 1 1 87 87 ALA H H 87 8.453 8.453 8.208 0.245 18411 4720 1 6 . 1 1 88 88 LYS N N 88 116.535 116.535 115.775 0.760 18411 4721 1 6 . 1 1 88 88 LYS HA H 88 4.030 4.030 3.994 0.036 18411 4722 1 6 . 1 1 88 88 LYS C C 88 179.562 179.562 178.217 1.345 18411 4723 1 6 . 1 1 88 88 LYS CA C 88 59.063 59.063 58.383 0.680 18411 4724 1 6 . 1 1 88 88 LYS CB C 88 32.466 32.466 31.929 0.537 18411 4725 1 6 . 1 1 88 88 LYS H H 88 7.664 7.664 7.755 -0.091 18411 4726 1 6 . 1 1 89 89 SER N N 89 113.619 113.619 115.413 -1.794 18411 4727 1 6 . 1 1 89 89 SER HA H 89 4.271 4.271 4.334 -0.063 18411 4728 1 6 . 1 1 89 89 SER C C 89 177.004 177.004 175.378 1.626 18411 4729 1 6 . 1 1 89 89 SER CA C 89 61.139 61.139 60.751 0.388 18411 4730 1 6 . 1 1 89 89 SER CB C 89 63.327 63.327 63.151 0.175 18411 4731 1 6 . 1 1 89 89 SER H H 89 8.417 8.417 7.663 0.754 18411 4732 1 6 . 1 1 90 90 THR N N 90 109.601 109.601 111.182 -1.581 18411 4733 1 6 . 1 1 90 90 THR HA H 90 4.287 4.287 4.282 0.005 18411 4734 1 6 . 1 1 90 90 THR C C 90 176.074 176.074 175.595 0.479 18411 4735 1 6 . 1 1 90 90 THR CA C 90 62.926 62.926 61.767 1.159 18411 4736 1 6 . 1 1 90 90 THR CB C 90 70.563 70.563 69.499 1.065 18411 4737 1 6 . 1 1 90 90 THR H H 90 7.710 7.710 7.271 0.439 18411 4738 1 6 . 1 1 91 91 GLY N N 91 110.243 110.243 110.422 -0.179 18411 4739 1 6 . 1 1 91 91 GLY C C 91 174.815 174.815 173.479 1.336 18411 4740 1 6 . 1 1 91 91 GLY CA C 91 46.042 46.042 44.791 1.251 18411 4741 1 6 . 1 1 91 91 GLY H H 91 7.609 7.609 7.918 -0.309 18411 4742 1 6 . 1 1 92 92 VAL N N 92 112.099 112.099 121.445 -9.346 18411 4743 1 6 . 1 1 92 92 VAL HA H 92 4.309 4.309 3.537 0.772 18411 4744 1 6 . 1 1 92 92 VAL C C 92 178.372 178.372 175.259 3.113 18411 4745 1 6 . 1 1 92 92 VAL CA C 92 60.696 60.696 63.072 -2.377 18411 4746 1 6 . 1 1 92 92 VAL CB C 92 32.337 32.337 30.419 1.918 18411 4747 1 6 . 1 1 92 92 VAL H H 92 7.046 7.046 8.405 -1.359 18411 4748 1 6 . 1 1 93 93 THR N N 93 114.289 114.289 117.999 -3.710 18411 4749 1 6 . 1 1 93 93 THR HA H 93 4.457 4.457 4.181 0.276 18411 4750 1 6 . 1 1 93 93 THR C C 93 175.115 175.115 173.142 1.973 18411 4751 1 6 . 1 1 93 93 THR CA C 93 61.280 61.280 63.459 -2.179 18411 4752 1 6 . 1 1 93 93 THR CB C 93 70.314 70.314 69.062 1.252 18411 4753 1 6 . 1 1 93 93 THR H H 93 10.844 10.844 8.815 2.029 18411 4754 1 6 . 1 1 94 94 TYR N N 94 122.050 122.050 118.901 3.149 18411 4755 1 6 . 1 1 94 94 TYR HA H 94 3.740 3.740 4.075 -0.335 18411 4756 1 6 . 1 1 94 94 TYR C C 94 171.563 171.563 172.664 -1.101 18411 4757 1 6 . 1 1 94 94 TYR CA C 94 53.080 53.080 52.930 0.150 18411 4758 1 6 . 1 1 94 94 TYR CB C 94 34.195 34.195 37.155 -2.960 18411 4759 1 6 . 1 1 94 94 TYR H H 94 6.391 6.391 6.774 -0.383 18411 4760 1 6 . 1 1 95 95 PRO HA H 95 4.105 4.105 4.365 -0.260 18411 4761 1 6 . 1 1 95 95 PRO C C 95 175.152 175.152 175.556 -0.404 18411 4762 1 6 . 1 1 95 95 PRO CA C 95 63.799 63.799 62.740 1.059 18411 4763 1 6 . 1 1 95 95 PRO CB C 95 32.919 32.919 32.795 0.124 18411 4764 1 6 . 1 1 96 96 LEU N N 96 122.325 122.325 123.065 -0.740 18411 4765 1 6 . 1 1 96 96 LEU HA H 96 5.143 5.143 5.254 -0.111 18411 4766 1 6 . 1 1 96 96 LEU C C 96 176.072 176.072 176.717 -0.645 18411 4767 1 6 . 1 1 96 96 LEU CA C 96 52.794 52.794 53.558 -0.764 18411 4768 1 6 . 1 1 96 96 LEU CB C 96 45.567 45.567 45.410 0.157 18411 4769 1 6 . 1 1 96 96 LEU H H 96 8.256 8.256 8.236 0.020 18411 4770 1 6 . 1 1 97 97 GLY N N 97 107.295 107.295 108.128 -0.833 18411 4771 1 6 . 1 1 97 97 GLY C C 97 171.546 171.546 172.388 -0.842 18411 4772 1 6 . 1 1 97 97 GLY CA C 97 44.069 44.069 43.554 0.515 18411 4773 1 6 . 1 1 97 97 GLY H H 97 9.177 9.177 9.201 -0.024 18411 4774 1 6 . 1 1 98 98 LEU N N 98 118.550 118.550 117.957 0.593 18411 4775 1 6 . 1 1 98 98 LEU HA H 98 4.872 4.872 5.032 -0.160 18411 4776 1 6 . 1 1 98 98 LEU C C 98 176.132 176.132 175.036 1.096 18411 4777 1 6 . 1 1 98 98 LEU CA C 98 54.460 54.460 53.595 0.865 18411 4778 1 6 . 1 1 98 98 LEU CB C 98 43.567 43.567 43.823 -0.256 18411 4779 1 6 . 1 1 98 98 LEU H H 98 8.106 8.106 8.706 -0.600 18411 4780 1 6 . 1 1 99 99 ASP N N 99 118.061 118.061 123.251 -5.190 18411 4781 1 6 . 1 1 99 99 ASP HA H 99 5.403 5.403 5.112 0.291 18411 4782 1 6 . 1 1 99 99 ASP C C 99 175.069 175.069 174.011 1.058 18411 4783 1 6 . 1 1 99 99 ASP CA C 99 51.057 51.057 50.621 0.436 18411 4784 1 6 . 1 1 99 99 ASP CB C 99 42.069 42.069 42.298 -0.229 18411 4785 1 6 . 1 1 99 99 ASP H H 99 8.481 8.481 8.723 -0.242 18411 4786 1 6 . 1 1 100 100 PRO HA H 100 4.564 4.564 4.465 0.099 18411 4787 1 6 . 1 1 100 100 PRO C C 100 179.600 179.600 177.539 2.061 18411 4788 1 6 . 1 1 100 100 PRO CA C 100 64.020 64.020 63.115 0.905 18411 4789 1 6 . 1 1 100 100 PRO CB C 100 31.455 31.455 31.471 -0.016 18411 4790 1 6 . 1 1 101 101 GLY N N 101 114.780 114.780 112.719 2.061 18411 4791 1 6 . 1 1 101 101 GLY C C 101 173.600 173.600 174.971 -1.371 18411 4792 1 6 . 1 1 101 101 GLY CA C 101 46.175 46.175 44.969 1.206 18411 4793 1 6 . 1 1 101 101 GLY H H 101 9.045 9.045 8.915 0.130 18411 4794 1 6 . 1 1 102 102 ALA N N 102 117.089 117.089 121.273 -4.184 18411 4795 1 6 . 1 1 102 102 ALA HA H 102 4.376 4.376 4.195 0.181 18411 4796 1 6 . 1 1 102 102 ALA C C 102 175.955 175.955 177.275 -1.320 18411 4797 1 6 . 1 1 102 102 ALA CA C 102 52.693 52.693 52.723 -0.030 18411 4798 1 6 . 1 1 102 102 ALA CB C 102 18.256 18.256 17.354 0.902 18411 4799 1 6 . 1 1 102 102 ALA H H 102 8.257 8.257 8.050 0.207 18411 4800 1 6 . 1 1 103 103 ASP N N 103 118.691 118.691 118.941 -0.250 18411 4801 1 6 . 1 1 103 103 ASP HA H 103 4.444 4.444 4.408 0.036 18411 4802 1 6 . 1 1 103 103 ASP C C 103 179.021 179.021 177.749 1.272 18411 4803 1 6 . 1 1 103 103 ASP CA C 103 57.935 57.935 57.059 0.876 18411 4804 1 6 . 1 1 103 103 ASP CB C 103 41.368 41.368 41.325 0.043 18411 4805 1 6 . 1 1 103 103 ASP H H 103 6.739 6.739 8.331 -1.592 18411 4806 1 6 . 1 1 104 104 ILE N N 104 126.075 126.075 119.241 6.834 18411 4807 1 6 . 1 1 104 104 ILE HA H 104 3.682 3.682 3.776 -0.094 18411 4808 1 6 . 1 1 104 104 ILE C C 104 179.321 179.321 177.531 1.790 18411 4809 1 6 . 1 1 104 104 ILE CA C 104 66.522 66.522 62.776 3.746 18411 4810 1 6 . 1 1 104 104 ILE CB C 104 36.754 36.754 37.093 -0.339 18411 4811 1 6 . 1 1 104 104 ILE H H 104 11.476 11.476 8.404 3.072 18411 4812 1 6 . 1 1 105 105 PHE N N 105 124.513 124.513 120.418 4.095 18411 4813 1 6 . 1 1 105 105 PHE HA H 105 3.646 3.646 3.688 -0.042 18411 4814 1 6 . 1 1 105 105 PHE C C 105 177.818 177.818 176.634 1.184 18411 4815 1 6 . 1 1 105 105 PHE CA C 105 62.948 62.948 61.386 1.562 18411 4816 1 6 . 1 1 105 105 PHE CB C 105 38.350 38.350 39.158 -0.808 18411 4817 1 6 . 1 1 105 105 PHE H H 105 9.473 9.473 8.844 0.629 18411 4818 1 6 . 1 1 106 106 ALA N N 106 115.835 115.835 119.825 -3.990 18411 4819 1 6 . 1 1 106 106 ALA HA H 106 4.927 4.927 4.584 0.343 18411 4820 1 6 . 1 1 106 106 ALA C C 106 179.271 179.271 178.511 0.760 18411 4821 1 6 . 1 1 106 106 ALA CA C 106 52.672 52.672 53.728 -1.056 18411 4822 1 6 . 1 1 106 106 ALA CB C 106 19.093 19.093 18.461 0.632 18411 4823 1 6 . 1 1 106 106 ALA H H 106 8.418 8.418 7.799 0.619 18411 4824 1 6 . 1 1 107 107 LYS N N 107 116.823 116.823 116.595 0.228 18411 4825 1 6 . 1 1 107 107 LYS HA H 107 4.145 4.145 4.006 0.139 18411 4826 1 6 . 1 1 107 107 LYS C C 107 176.006 176.006 176.819 -0.813 18411 4827 1 6 . 1 1 107 107 LYS CA C 107 57.980 57.980 57.877 0.103 18411 4828 1 6 . 1 1 107 107 LYS CB C 107 33.041 33.041 32.547 0.494 18411 4829 1 6 . 1 1 107 107 LYS H H 107 8.106 8.106 7.496 0.610 18411 4830 1 6 . 1 1 108 108 TYR N N 108 114.793 114.793 115.233 -0.440 18411 4831 1 6 . 1 1 108 108 TYR HA H 108 4.311 4.311 4.495 -0.184 18411 4832 1 6 . 1 1 108 108 TYR C C 108 176.010 176.010 174.241 1.769 18411 4833 1 6 . 1 1 108 108 TYR CA C 108 59.270 59.270 58.808 0.462 18411 4834 1 6 . 1 1 108 108 TYR CB C 108 40.965 40.965 40.797 0.168 18411 4835 1 6 . 1 1 108 108 TYR H H 108 7.811 7.811 7.430 0.381 18411 4836 1 6 . 1 1 109 109 ALA N N 109 125.709 125.709 117.158 8.551 18411 4837 1 6 . 1 1 109 109 ALA HA H 109 4.760 4.760 4.674 0.086 18411 4838 1 6 . 1 1 109 109 ALA C C 109 174.711 174.711 174.867 -0.156 18411 4839 1 6 . 1 1 109 109 ALA CA C 109 50.276 50.276 50.207 0.069 18411 4840 1 6 . 1 1 109 109 ALA CB C 109 21.924 21.924 20.726 1.198 18411 4841 1 6 . 1 1 109 109 ALA H H 109 8.595 8.595 8.021 0.574 18411 4842 1 6 . 1 1 110 110 LEU N N 110 117.834 117.834 120.793 -2.959 18411 4843 1 6 . 1 1 110 110 LEU HA H 110 4.137 4.137 4.289 -0.152 18411 4844 1 6 . 1 1 110 110 LEU C C 110 179.153 179.153 178.698 0.455 18411 4845 1 6 . 1 1 110 110 LEU CA C 110 55.164 55.164 54.872 0.292 18411 4846 1 6 . 1 1 110 110 LEU CB C 110 42.292 42.292 42.290 0.002 18411 4847 1 6 . 1 1 110 110 LEU H H 110 7.814 7.814 8.345 -0.531 18411 4848 1 6 . 1 1 111 111 ARG N N 111 119.787 119.787 122.852 -3.065 18411 4849 1 6 . 1 1 111 111 ARG HA H 111 3.916 3.916 4.079 -0.163 18411 4850 1 6 . 1 1 111 111 ARG C C 111 176.962 176.962 176.676 0.286 18411 4851 1 6 . 1 1 111 111 ARG CA C 111 60.538 60.538 59.966 0.572 18411 4852 1 6 . 1 1 111 111 ARG CB C 111 30.424 30.424 30.320 0.104 18411 4853 1 6 . 1 1 111 111 ARG H H 111 8.655 8.655 8.813 -0.158 18411 4854 1 6 . 1 1 112 112 ASP N N 112 113.338 113.338 116.013 -2.675 18411 4855 1 6 . 1 1 112 112 ASP HA H 112 4.662 4.662 4.751 -0.089 18411 4856 1 6 . 1 1 112 112 ASP C C 112 176.387 176.387 176.144 0.243 18411 4857 1 6 . 1 1 112 112 ASP CA C 112 52.833 52.833 53.947 -1.114 18411 4858 1 6 . 1 1 112 112 ASP CB C 112 40.135 40.135 40.178 -0.043 18411 4859 1 6 . 1 1 112 112 ASP H H 112 8.205 8.205 8.402 -0.197 18411 4860 1 6 . 1 1 113 113 ALA N N 113 122.885 122.885 123.270 -0.385 18411 4861 1 6 . 1 1 113 113 ALA HA H 113 4.347 4.347 4.408 -0.061 18411 4862 1 6 . 1 1 113 113 ALA C C 113 177.740 177.740 176.973 0.767 18411 4863 1 6 . 1 1 113 113 ALA CA C 113 51.983 51.983 52.026 -0.043 18411 4864 1 6 . 1 1 113 113 ALA CB C 113 20.558 20.558 17.834 2.724 18411 4865 1 6 . 1 1 113 113 ALA H H 113 7.919 7.919 8.207 -0.288 18411 4866 1 6 . 1 1 114 114 GLY CA C 114 45.480 45.480 44.587 0.893 18411 4867 1 6 . 1 1 115 115 ILE N N 115 122.165 122.165 120.512 1.653 18411 4868 1 6 . 1 1 115 115 ILE HA H 115 4.119 4.119 4.229 -0.110 18411 4869 1 6 . 1 1 115 115 ILE CA C 115 60.788 60.788 59.549 1.239 18411 4870 1 6 . 1 1 115 115 ILE CB C 115 39.651 39.651 41.483 -1.832 18411 4871 1 6 . 1 1 115 115 ILE H H 115 8.253 8.253 8.045 0.208 18411 4872 1 6 . 1 1 116 116 THR N N 116 110.198 110.198 114.251 -4.053 18411 4873 1 6 . 1 1 116 116 THR HA H 116 4.101 4.101 4.106 -0.005 18411 4874 1 6 . 1 1 116 116 THR CA C 116 62.947 62.947 63.407 -0.460 18411 4875 1 6 . 1 1 116 116 THR CB C 116 69.031 69.031 66.738 2.293 18411 4876 1 6 . 1 1 116 116 THR H H 116 7.033 7.033 8.348 -1.315 18411 4877 1 6 . 1 1 117 117 ARG N N 117 130.624 130.624 119.275 11.349 18411 4878 1 6 . 1 1 117 117 ARG HA H 117 4.997 4.997 4.930 0.067 18411 4879 1 6 . 1 1 117 117 ARG C C 117 173.296 173.296 173.687 -0.391 18411 4880 1 6 . 1 1 117 117 ARG CA C 117 56.468 56.468 55.502 0.966 18411 4881 1 6 . 1 1 117 117 ARG CB C 117 31.949 31.949 33.679 -1.730 18411 4882 1 6 . 1 1 117 117 ARG H H 117 8.250 8.250 7.820 0.430 18411 4883 1 6 . 1 1 118 118 ASN N N 118 118.226 118.226 121.014 -2.788 18411 4884 1 6 . 1 1 118 118 ASN HA H 118 6.127 6.127 5.414 0.713 18411 4885 1 6 . 1 1 118 118 ASN C C 118 173.805 173.805 174.051 -0.246 18411 4886 1 6 . 1 1 118 118 ASN CA C 118 51.759 51.759 52.424 -0.665 18411 4887 1 6 . 1 1 118 118 ASN CB C 118 41.892 41.892 41.788 0.104 18411 4888 1 6 . 1 1 118 118 ASN H H 118 7.730 7.730 8.652 -0.922 18411 4889 1 6 . 1 1 119 119 VAL N N 119 120.477 120.477 126.050 -5.573 18411 4890 1 6 . 1 1 119 119 VAL HA H 119 4.766 4.766 4.474 0.292 18411 4891 1 6 . 1 1 119 119 VAL C C 119 173.809 173.809 174.078 -0.269 18411 4892 1 6 . 1 1 119 119 VAL CA C 119 60.808 60.808 61.906 -1.098 18411 4893 1 6 . 1 1 119 119 VAL CB C 119 35.887 35.887 32.810 3.077 18411 4894 1 6 . 1 1 119 119 VAL H H 119 9.269 9.269 9.192 0.077 18411 4895 1 6 . 1 1 120 120 LEU N N 120 128.017 128.017 130.689 -2.672 18411 4896 1 6 . 1 1 120 120 LEU HA H 120 5.350 5.350 4.990 0.360 18411 4897 1 6 . 1 1 120 120 LEU C C 120 174.606 174.606 174.790 -0.184 18411 4898 1 6 . 1 1 120 120 LEU CA C 120 53.563 53.563 53.693 -0.130 18411 4899 1 6 . 1 1 120 120 LEU CB C 120 46.211 46.211 43.978 2.233 18411 4900 1 6 . 1 1 120 120 LEU H H 120 8.829 8.829 9.043 -0.214 18411 4901 1 6 . 1 1 121 121 ILE N N 121 131.629 131.629 127.707 3.922 18411 4902 1 6 . 1 1 121 121 ILE HA H 121 4.799 4.799 4.846 -0.047 18411 4903 1 6 . 1 1 121 121 ILE C C 121 174.731 174.731 175.885 -1.154 18411 4904 1 6 . 1 1 121 121 ILE CA C 121 60.450 60.450 59.997 0.453 18411 4905 1 6 . 1 1 121 121 ILE CB C 121 41.651 41.651 39.473 2.178 18411 4906 1 6 . 1 1 121 121 ILE H H 121 9.659 9.659 9.239 0.420 18411 4907 1 6 . 1 1 122 122 ASP N N 122 124.197 124.197 126.336 -2.139 18411 4908 1 6 . 1 1 122 122 ASP HA H 122 4.513 4.513 4.838 -0.325 18411 4909 1 6 . 1 1 122 122 ASP C C 122 177.586 177.586 177.224 0.362 18411 4910 1 6 . 1 1 122 122 ASP CA C 122 52.442 52.442 53.190 -0.748 18411 4911 1 6 . 1 1 122 122 ASP CB C 122 41.476 41.476 41.534 -0.058 18411 4912 1 6 . 1 1 122 122 ASP H H 122 9.128 9.128 9.056 0.072 18411 4913 1 6 . 1 1 123 123 ARG N N 123 113.396 113.396 115.553 -2.157 18411 4914 1 6 . 1 1 123 123 ARG HA H 123 4.186 4.186 4.319 -0.133 18411 4915 1 6 . 1 1 123 123 ARG C C 123 178.717 178.717 176.866 1.851 18411 4916 1 6 . 1 1 123 123 ARG CA C 123 58.243 58.243 57.868 0.375 18411 4917 1 6 . 1 1 123 123 ARG CB C 123 30.783 30.783 29.485 1.298 18411 4918 1 6 . 1 1 123 123 ARG H H 123 7.870 7.870 8.708 -0.838 18411 4919 1 6 . 1 1 124 124 GLU N N 124 117.427 117.427 119.060 -1.633 18411 4920 1 6 . 1 1 124 124 GLU HA H 124 4.310 4.310 4.260 0.050 18411 4921 1 6 . 1 1 124 124 GLU C C 124 176.034 176.034 177.589 -1.555 18411 4922 1 6 . 1 1 124 124 GLU CA C 124 56.164 56.164 57.175 -1.011 18411 4923 1 6 . 1 1 124 124 GLU CB C 124 30.541 30.541 30.291 0.250 18411 4924 1 6 . 1 1 124 124 GLU H H 124 8.155 8.155 8.245 -0.090 18411 4925 1 6 . 1 1 125 125 GLY N N 125 105.681 105.681 106.603 -0.922 18411 4926 1 6 . 1 1 125 125 GLY C C 125 174.204 174.204 173.426 0.778 18411 4927 1 6 . 1 1 125 125 GLY CA C 125 45.160 45.160 44.794 0.366 18411 4928 1 6 . 1 1 125 125 GLY H H 125 8.094 8.094 8.534 -0.440 18411 4929 1 6 . 1 1 126 126 LYS N N 126 122.326 122.326 120.869 1.457 18411 4930 1 6 . 1 1 126 126 LYS HA H 126 4.647 4.647 4.992 -0.345 18411 4931 1 6 . 1 1 126 126 LYS C C 126 176.390 176.390 175.461 0.929 18411 4932 1 6 . 1 1 126 126 LYS CA C 126 55.393 55.393 54.969 0.424 18411 4933 1 6 . 1 1 126 126 LYS CB C 126 33.569 33.569 35.183 -1.614 18411 4934 1 6 . 1 1 126 126 LYS H H 126 8.502 8.502 8.724 -0.222 18411 4935 1 6 . 1 1 127 127 ILE N N 127 121.946 121.946 121.948 -0.002 18411 4936 1 6 . 1 1 127 127 ILE HA H 127 4.048 4.048 4.412 -0.364 18411 4937 1 6 . 1 1 127 127 ILE C C 127 177.735 177.735 176.083 1.652 18411 4938 1 6 . 1 1 127 127 ILE CA C 127 63.200 63.200 62.139 1.061 18411 4939 1 6 . 1 1 127 127 ILE CB C 127 38.106 38.106 37.874 0.232 18411 4940 1 6 . 1 1 127 127 ILE H H 127 8.739 8.739 9.023 -0.284 18411 4941 1 6 . 1 1 128 128 VAL N N 128 122.026 122.026 123.975 -1.949 18411 4942 1 6 . 1 1 128 128 VAL HA H 128 4.695 4.695 4.383 0.312 18411 4943 1 6 . 1 1 128 128 VAL C C 128 175.968 175.968 175.231 0.737 18411 4944 1 6 . 1 1 128 128 VAL CA C 128 61.535 61.535 61.757 -0.222 18411 4945 1 6 . 1 1 128 128 VAL CB C 128 33.996 33.996 32.949 1.047 18411 4946 1 6 . 1 1 128 128 VAL H H 128 9.397 9.397 8.471 0.926 18411 4947 1 6 . 1 1 129 129 LYS N N 129 121.635 121.635 122.093 -0.458 18411 4948 1 6 . 1 1 129 129 LYS HA H 129 4.359 4.359 4.601 -0.242 18411 4949 1 6 . 1 1 129 129 LYS C C 129 172.896 172.896 174.224 -1.328 18411 4950 1 6 . 1 1 129 129 LYS CA C 129 57.322 57.322 54.985 2.337 18411 4951 1 6 . 1 1 129 129 LYS CB C 129 36.802 36.802 34.063 2.739 18411 4952 1 6 . 1 1 129 129 LYS H H 129 7.708 7.708 7.553 0.155 18411 4953 1 6 . 1 1 130 130 LEU N N 130 126.219 126.219 128.884 -2.665 18411 4954 1 6 . 1 1 130 130 LEU HA H 130 5.140 5.140 4.952 0.188 18411 4955 1 6 . 1 1 130 130 LEU C C 130 176.956 176.956 177.143 -0.187 18411 4956 1 6 . 1 1 130 130 LEU CA C 130 53.572 53.572 53.314 0.258 18411 4957 1 6 . 1 1 130 130 LEU CB C 130 44.700 44.700 41.029 3.671 18411 4958 1 6 . 1 1 130 130 LEU H H 130 8.301 8.301 8.738 -0.437 18411 4959 1 6 . 1 1 131 131 THR N N 131 113.484 113.484 120.936 -7.452 18411 4960 1 6 . 1 1 131 131 THR HA H 131 5.136 5.136 4.512 0.624 18411 4961 1 6 . 1 1 131 131 THR C C 131 175.492 175.492 174.284 1.208 18411 4962 1 6 . 1 1 131 131 THR CA C 131 61.033 61.033 62.154 -1.121 18411 4963 1 6 . 1 1 131 131 THR CB C 131 70.922 70.922 70.255 0.667 18411 4964 1 6 . 1 1 131 131 THR H H 131 9.298 9.298 9.201 0.097 18411 4965 1 6 . 1 1 132 132 ARG HA H 132 5.150 5.150 4.626 0.524 18411 4966 1 6 . 1 1 132 132 ARG CA C 132 55.585 55.585 54.757 0.828 18411 4967 1 6 . 1 1 132 132 ARG CB C 132 33.035 33.035 29.404 3.631 18411 4968 1 6 . 1 1 133 133 LEU N N 133 118.967 118.967 120.295 -1.328 18411 4969 1 6 . 1 1 133 133 LEU HA H 133 4.302 4.302 4.003 0.299 18411 4970 1 6 . 1 1 133 133 LEU CA C 133 56.200 56.200 56.011 0.189 18411 4971 1 6 . 1 1 133 133 LEU CB C 133 41.616 41.616 40.894 0.723 18411 4972 1 6 . 1 1 133 133 LEU H H 133 8.167 8.167 8.290 -0.123 18411 4973 1 6 . 1 1 134 134 TYR N N 134 124.816 124.816 123.465 1.351 18411 4974 1 6 . 1 1 134 134 TYR HA H 134 4.963 4.963 4.484 0.479 18411 4975 1 6 . 1 1 134 134 TYR CA C 134 57.154 57.154 58.528 -1.374 18411 4976 1 6 . 1 1 134 134 TYR CB C 134 38.948 38.948 38.206 0.742 18411 4977 1 6 . 1 1 134 134 TYR H H 134 7.805 7.805 8.234 -0.429 18411 4978 1 6 . 1 1 135 135 ASN HA H 135 4.415 4.415 4.669 -0.254 18411 4979 1 6 . 1 1 135 135 ASN CA C 135 51.995 51.995 51.837 0.158 18411 4980 1 6 . 1 1 135 135 ASN CB C 135 40.521 40.521 41.222 -0.701 18411 4981 1 6 . 1 1 136 136 GLU HA H 136 3.694 3.694 3.760 -0.066 18411 4982 1 6 . 1 1 136 136 GLU C C 136 178.797 178.797 178.353 0.444 18411 4983 1 6 . 1 1 136 136 GLU CA C 136 61.052 61.052 60.238 0.814 18411 4984 1 6 . 1 1 136 136 GLU CB C 136 29.353 29.353 29.262 0.091 18411 4985 1 6 . 1 1 137 137 GLU N N 137 120.717 120.717 118.936 1.781 18411 4986 1 6 . 1 1 137 137 GLU HA H 137 4.176 4.176 4.126 0.050 18411 4987 1 6 . 1 1 137 137 GLU C C 137 179.707 179.707 179.022 0.685 18411 4988 1 6 . 1 1 137 137 GLU CA C 137 59.800 59.800 59.333 0.467 18411 4989 1 6 . 1 1 137 137 GLU CB C 137 29.284 29.284 28.936 0.349 18411 4990 1 6 . 1 1 137 137 GLU H H 137 8.364 8.364 8.509 -0.145 18411 4991 1 6 . 1 1 138 138 GLU N N 138 122.448 122.448 120.428 2.020 18411 4992 1 6 . 1 1 138 138 GLU HA H 138 4.190 4.190 4.102 0.088 18411 4993 1 6 . 1 1 138 138 GLU C C 138 179.927 179.927 178.513 1.414 18411 4994 1 6 . 1 1 138 138 GLU CA C 138 59.129 59.129 59.167 -0.038 18411 4995 1 6 . 1 1 138 138 GLU CB C 138 30.064 30.064 28.942 1.122 18411 4996 1 6 . 1 1 138 138 GLU H H 138 8.448 8.448 8.365 0.083 18411 4997 1 6 . 1 1 139 139 PHE N N 139 122.454 122.454 119.891 2.563 18411 4998 1 6 . 1 1 139 139 PHE HA H 139 4.171 4.171 4.235 -0.064 18411 4999 1 6 . 1 1 139 139 PHE C C 139 177.370 177.370 176.909 0.461 18411 5000 1 6 . 1 1 139 139 PHE CA C 139 62.690 62.690 61.072 1.618 18411 5001 1 6 . 1 1 139 139 PHE CB C 139 39.579 39.579 39.091 0.488 18411 5002 1 6 . 1 1 139 139 PHE H H 139 8.895 8.895 8.438 0.457 18411 5003 1 6 . 1 1 140 140 ALA N N 140 120.155 120.155 121.920 -1.765 18411 5004 1 6 . 1 1 140 140 ALA HA H 140 4.100 4.100 3.883 0.217 18411 5005 1 6 . 1 1 140 140 ALA C C 140 181.270 181.270 179.489 1.781 18411 5006 1 6 . 1 1 140 140 ALA CA C 140 55.203 55.203 55.472 -0.269 18411 5007 1 6 . 1 1 140 140 ALA CB C 140 17.716 17.716 17.853 -0.137 18411 5008 1 6 . 1 1 140 140 ALA H H 140 8.240 8.240 8.542 -0.302 18411 5009 1 6 . 1 1 141 141 SER N N 141 114.095 114.095 114.906 -0.811 18411 5010 1 6 . 1 1 141 141 SER HA H 141 4.267 4.267 4.218 0.049 18411 5011 1 6 . 1 1 141 141 SER C C 141 176.895 176.895 176.623 0.272 18411 5012 1 6 . 1 1 141 141 SER CA C 141 61.291 61.291 62.240 -0.949 18411 5013 1 6 . 1 1 141 141 SER CB C 141 62.690 62.690 63.022 -0.332 18411 5014 1 6 . 1 1 141 141 SER H H 141 7.835 7.835 8.131 -0.296 18411 5015 1 6 . 1 1 142 142 LEU N N 142 126.764 126.764 122.494 4.270 18411 5016 1 6 . 1 1 142 142 LEU HA H 142 3.908 3.908 3.961 -0.053 18411 5017 1 6 . 1 1 142 142 LEU C C 142 176.876 176.876 178.201 -1.325 18411 5018 1 6 . 1 1 142 142 LEU CA C 142 58.757 58.757 57.961 0.796 18411 5019 1 6 . 1 1 142 142 LEU CB C 142 41.653 41.653 41.770 -0.117 18411 5020 1 6 . 1 1 142 142 LEU H H 142 7.833 7.833 7.633 0.200 18411 5021 1 6 . 1 1 143 143 VAL N N 143 119.066 119.066 119.064 0.002 18411 5022 1 6 . 1 1 143 143 VAL HA H 143 3.174 3.174 3.409 -0.235 18411 5023 1 6 . 1 1 143 143 VAL C C 143 178.479 178.479 177.912 0.567 18411 5024 1 6 . 1 1 143 143 VAL CA C 143 66.864 66.864 66.082 0.782 18411 5025 1 6 . 1 1 143 143 VAL CB C 143 32.350 32.350 31.352 0.998 18411 5026 1 6 . 1 1 143 143 VAL H H 143 8.010 8.010 8.230 -0.220 18411 5027 1 6 . 1 1 144 144 GLN N N 144 118.170 118.170 118.307 -0.137 18411 5028 1 6 . 1 1 144 144 GLN HA H 144 4.028 4.028 3.918 0.110 18411 5029 1 6 . 1 1 144 144 GLN C C 144 178.335 178.335 178.088 0.247 18411 5030 1 6 . 1 1 144 144 GLN CA C 144 59.591 59.591 59.357 0.234 18411 5031 1 6 . 1 1 144 144 GLN CB C 144 32.906 32.906 28.342 4.564 18411 5032 1 6 . 1 1 144 144 GLN H H 144 7.935 7.935 7.847 0.088 18411 5033 1 6 . 1 1 145 145 GLN N N 145 119.839 119.839 120.440 -0.601 18411 5034 1 6 . 1 1 145 145 GLN HA H 145 4.029 4.029 4.003 0.026 18411 5035 1 6 . 1 1 145 145 GLN C C 145 178.686 178.686 178.655 0.031 18411 5036 1 6 . 1 1 145 145 GLN CA C 145 59.270 59.270 59.017 0.254 18411 5037 1 6 . 1 1 145 145 GLN CB C 145 27.587 27.587 28.595 -1.008 18411 5038 1 6 . 1 1 145 145 GLN H H 145 7.986 7.986 7.616 0.370 18411 5039 1 6 . 1 1 146 146 ILE N N 146 119.900 119.900 120.198 -0.298 18411 5040 1 6 . 1 1 146 146 ILE HA H 146 3.345 3.345 3.562 -0.217 18411 5041 1 6 . 1 1 146 146 ILE C C 146 177.393 177.393 177.929 -0.536 18411 5042 1 6 . 1 1 146 146 ILE CA C 146 66.902 66.902 65.168 1.734 18411 5043 1 6 . 1 1 146 146 ILE CB C 146 38.281 38.281 37.559 0.722 18411 5044 1 6 . 1 1 146 146 ILE H H 146 8.171 8.171 8.797 -0.626 18411 5045 1 6 . 1 1 147 147 ASN N N 147 116.163 116.163 118.377 -2.214 18411 5046 1 6 . 1 1 147 147 ASN HA H 147 4.196 4.196 4.372 -0.176 18411 5047 1 6 . 1 1 147 147 ASN C C 147 179.035 179.035 177.235 1.800 18411 5048 1 6 . 1 1 147 147 ASN CA C 147 56.348 56.348 55.799 0.549 18411 5049 1 6 . 1 1 147 147 ASN CB C 147 38.062 38.062 38.222 -0.160 18411 5050 1 6 . 1 1 147 147 ASN H H 147 7.896 7.896 8.056 -0.160 18411 5051 1 6 . 1 1 148 148 GLU N N 148 118.645 118.645 119.793 -1.148 18411 5052 1 6 . 1 1 148 148 GLU HA H 148 3.970 3.970 4.055 -0.085 18411 5053 1 6 . 1 1 148 148 GLU C C 148 179.964 179.964 177.767 2.197 18411 5054 1 6 . 1 1 148 148 GLU CA C 148 59.340 59.340 58.898 0.442 18411 5055 1 6 . 1 1 148 148 GLU CB C 148 29.572 29.572 29.783 -0.211 18411 5056 1 6 . 1 1 148 148 GLU H H 148 8.311 8.311 7.887 0.424 18411 5057 1 6 . 1 1 149 149 MET N N 149 119.218 119.218 118.782 0.436 18411 5058 1 6 . 1 1 149 149 MET HA H 149 4.140 4.140 4.228 -0.088 18411 5059 1 6 . 1 1 149 149 MET C C 149 179.419 179.419 177.851 1.568 18411 5060 1 6 . 1 1 149 149 MET CA C 149 59.040 59.040 57.574 1.466 18411 5061 1 6 . 1 1 149 149 MET CB C 149 35.293 35.293 32.349 2.943 18411 5062 1 6 . 1 1 149 149 MET H H 149 8.527 8.527 8.032 0.495 18411 5063 1 6 . 1 1 150 150 LEU N N 150 118.078 118.078 115.446 2.632 18411 5064 1 6 . 1 1 150 150 LEU HA H 150 4.245 4.245 4.149 0.096 18411 5065 1 6 . 1 1 150 150 LEU C C 150 178.141 178.141 177.878 0.263 18411 5066 1 6 . 1 1 150 150 LEU CA C 150 55.824 55.824 55.630 0.194 18411 5067 1 6 . 1 1 150 150 LEU CB C 150 41.533 41.533 41.096 0.437 18411 5068 1 6 . 1 1 150 150 LEU H H 150 7.917 7.917 7.645 0.272 18411 5069 1 6 . 1 1 151 151 LYS N N 151 120.096 120.096 116.796 3.300 18411 5070 1 6 . 1 1 151 151 LYS HA H 151 4.181 4.181 4.370 -0.189 18411 5071 1 6 . 1 1 151 151 LYS C C 151 177.029 177.029 177.209 -0.180 18411 5072 1 6 . 1 1 151 151 LYS CA C 151 57.490 57.490 55.944 1.546 18411 5073 1 6 . 1 1 151 151 LYS CB C 151 32.921 32.921 33.907 -0.986 18411 5074 1 6 . 1 1 151 151 LYS H H 151 7.466 7.466 7.661 -0.195 18411 5075 1 6 . 1 1 152 152 GLU N N 152 120.188 120.188 119.183 1.005 18411 5076 1 6 . 1 1 152 152 GLU HA H 152 4.264 4.264 4.023 0.241 18411 5077 1 6 . 1 1 152 152 GLU C C 152 177.259 177.259 175.789 1.470 18411 5078 1 6 . 1 1 152 152 GLU CA C 152 57.070 57.070 57.522 -0.452 18411 5079 1 6 . 1 1 152 152 GLU CB C 152 30.385 30.385 29.712 0.673 18411 5080 1 6 . 1 1 152 152 GLU H H 152 7.820 7.820 8.751 -0.931 18411 5081 1 6 . 1 1 153 153 GLY N N 153 109.046 109.046 108.483 0.563 18411 5082 1 6 . 1 1 153 153 GLY C C 153 174.204 174.204 174.287 -0.083 18411 5083 1 6 . 1 1 153 153 GLY CA C 153 45.327 45.327 44.469 0.858 18411 5084 1 6 . 1 1 153 153 GLY H H 153 8.278 8.278 8.517 -0.239 18411 5085 1 6 . 1 1 158 158 HIS HA H 158 4.606 4.606 4.439 0.167 18411 5086 1 6 . 1 1 158 158 HIS C C 158 174.423 174.423 175.230 -0.807 18411 5087 1 6 . 1 1 158 158 HIS CA C 158 56.235 56.235 56.238 -0.003 18411 5088 1 6 . 1 1 158 158 HIS CB C 158 31.028 31.028 30.485 0.543 18411 5089 1 7 . 1 1 3 3 LEU HA H 3 3.930 3.930 4.763 -0.833 18411 5090 1 7 . 1 1 3 3 LEU CA C 3 58.669 58.669 53.714 4.955 18411 5091 1 7 . 1 1 3 3 LEU CB C 3 42.010 42.010 42.194 -0.184 18411 5092 1 7 . 1 1 4 4 GLY C C 4 173.604 173.604 172.847 0.757 18411 5093 1 7 . 1 1 4 4 GLY CA C 4 46.072 46.072 45.146 0.926 18411 5094 1 7 . 1 1 5 5 TYR N N 5 116.195 116.195 119.153 -2.958 18411 5095 1 7 . 1 1 5 5 TYR HA H 5 4.769 4.769 4.720 0.049 18411 5096 1 7 . 1 1 5 5 TYR C C 5 177.898 177.898 175.082 2.816 18411 5097 1 7 . 1 1 5 5 TYR CA C 5 60.102 60.102 57.266 2.836 18411 5098 1 7 . 1 1 5 5 TYR CB C 5 39.615 39.615 41.412 -1.797 18411 5099 1 7 . 1 1 5 5 TYR H H 5 7.849 7.849 7.850 -0.001 18411 5100 1 7 . 1 1 6 6 ILE N N 6 115.338 115.338 117.565 -2.227 18411 5101 1 7 . 1 1 6 6 ILE HA H 6 4.514 4.514 4.310 0.204 18411 5102 1 7 . 1 1 6 6 ILE C C 6 175.977 175.977 175.658 0.319 18411 5103 1 7 . 1 1 6 6 ILE CA C 6 61.623 61.623 61.631 -0.008 18411 5104 1 7 . 1 1 6 6 ILE CB C 6 38.270 38.270 38.743 -0.473 18411 5105 1 7 . 1 1 6 6 ILE H H 6 8.687 8.687 8.148 0.539 18411 5106 1 7 . 1 1 7 7 VAL N N 7 113.122 113.122 120.533 -7.411 18411 5107 1 7 . 1 1 7 7 VAL HA H 7 4.730 4.730 4.409 0.321 18411 5108 1 7 . 1 1 7 7 VAL C C 7 174.331 174.331 174.341 -0.010 18411 5109 1 7 . 1 1 7 7 VAL CA C 7 58.867 58.867 59.935 -1.068 18411 5110 1 7 . 1 1 7 7 VAL CB C 7 34.475 34.475 34.510 -0.035 18411 5111 1 7 . 1 1 7 7 VAL H H 7 6.845 6.845 7.691 -0.846 18411 5112 1 7 . 1 1 8 8 ARG N N 8 117.597 117.597 121.102 -3.505 18411 5113 1 7 . 1 1 8 8 ARG HA H 8 4.539 4.539 4.781 -0.242 18411 5114 1 7 . 1 1 8 8 ARG C C 8 175.618 175.618 175.997 -0.379 18411 5115 1 7 . 1 1 8 8 ARG CA C 8 53.717 53.717 53.841 -0.124 18411 5116 1 7 . 1 1 8 8 ARG CB C 8 34.126 34.126 33.579 0.547 18411 5117 1 7 . 1 1 8 8 ARG H H 8 7.978 7.978 8.287 -0.309 18411 5118 1 7 . 1 1 9 9 ILE N N 9 118.377 118.377 120.626 -2.249 18411 5119 1 7 . 1 1 9 9 ILE HA H 9 3.465 3.465 4.059 -0.594 18411 5120 1 7 . 1 1 9 9 ILE C C 9 177.771 177.771 177.311 0.460 18411 5121 1 7 . 1 1 9 9 ILE CA C 9 62.350 62.350 63.011 -0.661 18411 5122 1 7 . 1 1 9 9 ILE CB C 9 37.049 37.049 36.968 0.081 18411 5123 1 7 . 1 1 9 9 ILE H H 9 8.085 8.085 8.596 -0.511 18411 5124 1 7 . 1 1 10 10 GLY N N 10 115.204 115.204 115.632 -0.428 18411 5125 1 7 . 1 1 10 10 GLY C C 10 174.235 174.235 174.539 -0.304 18411 5126 1 7 . 1 1 10 10 GLY CA C 10 44.763 44.763 44.612 0.151 18411 5127 1 7 . 1 1 10 10 GLY H H 10 9.149 9.149 9.163 -0.014 18411 5128 1 7 . 1 1 11 11 GLU N N 11 119.157 119.157 121.082 -1.925 18411 5129 1 7 . 1 1 11 11 GLU HA H 11 4.392 4.392 4.555 -0.163 18411 5130 1 7 . 1 1 11 11 GLU C C 11 176.729 176.729 176.245 0.484 18411 5131 1 7 . 1 1 11 11 GLU CA C 11 55.108 55.108 55.399 -0.291 18411 5132 1 7 . 1 1 11 11 GLU CB C 11 31.473 31.473 30.265 1.208 18411 5133 1 7 . 1 1 11 11 GLU H H 11 7.631 7.631 7.771 -0.140 18411 5134 1 7 . 1 1 12 12 MET N N 12 119.646 119.646 120.345 -0.699 18411 5135 1 7 . 1 1 12 12 MET HA H 12 4.593 4.593 4.680 -0.087 18411 5136 1 7 . 1 1 12 12 MET C C 12 177.162 177.162 176.961 0.201 18411 5137 1 7 . 1 1 12 12 MET CA C 12 54.475 54.475 52.660 1.815 18411 5138 1 7 . 1 1 12 12 MET CB C 12 30.749 30.749 31.969 -1.220 18411 5139 1 7 . 1 1 12 12 MET H H 12 8.566 8.566 8.437 0.129 18411 5140 1 7 . 1 1 13 13 ALA N N 13 129.735 129.735 129.796 -0.061 18411 5141 1 7 . 1 1 13 13 ALA HA H 13 4.293 4.293 4.788 -0.495 18411 5142 1 7 . 1 1 13 13 ALA C C 13 175.992 175.992 175.702 0.290 18411 5143 1 7 . 1 1 13 13 ALA CA C 13 50.676 50.676 50.246 0.430 18411 5144 1 7 . 1 1 13 13 ALA CB C 13 18.125 18.125 18.674 -0.549 18411 5145 1 7 . 1 1 13 13 ALA H H 13 8.626 8.626 9.038 -0.412 18411 5146 1 7 . 1 1 14 14 PRO HA H 14 4.253 4.253 4.423 -0.170 18411 5147 1 7 . 1 1 14 14 PRO C C 14 176.066 176.066 176.026 0.040 18411 5148 1 7 . 1 1 14 14 PRO CA C 14 63.478 63.478 62.815 0.663 18411 5149 1 7 . 1 1 14 14 PRO CB C 14 32.987 32.987 31.988 0.999 18411 5150 1 7 . 1 1 15 15 ASP N N 15 123.075 123.075 121.167 1.908 18411 5151 1 7 . 1 1 15 15 ASP HA H 15 4.700 4.700 4.517 0.183 18411 5152 1 7 . 1 1 15 15 ASP C C 15 176.067 176.067 175.644 0.423 18411 5153 1 7 . 1 1 15 15 ASP CA C 15 53.628 53.628 54.408 -0.780 18411 5154 1 7 . 1 1 15 15 ASP CB C 15 41.613 41.613 42.224 -0.611 18411 5155 1 7 . 1 1 15 15 ASP H H 15 8.373 8.373 8.430 -0.057 18411 5156 1 7 . 1 1 16 16 PHE N N 16 114.256 114.256 115.057 -0.801 18411 5157 1 7 . 1 1 16 16 PHE HA H 16 4.869 4.869 4.853 0.016 18411 5158 1 7 . 1 1 16 16 PHE C C 16 173.028 173.028 173.294 -0.266 18411 5159 1 7 . 1 1 16 16 PHE CA C 16 56.721 56.721 56.284 0.437 18411 5160 1 7 . 1 1 16 16 PHE CB C 16 40.560 40.560 40.990 -0.430 18411 5161 1 7 . 1 1 16 16 PHE H H 16 7.950 7.950 7.507 0.443 18411 5162 1 7 . 1 1 17 17 THR N N 17 116.459 116.459 117.211 -0.752 18411 5163 1 7 . 1 1 17 17 THR HA H 17 5.244 5.244 5.252 -0.008 18411 5164 1 7 . 1 1 17 17 THR C C 17 172.722 172.722 173.605 -0.883 18411 5165 1 7 . 1 1 17 17 THR CA C 17 62.061 62.061 61.538 0.522 18411 5166 1 7 . 1 1 17 17 THR CB C 17 70.882 70.882 69.733 1.149 18411 5167 1 7 . 1 1 17 17 THR H H 17 8.596 8.596 8.549 0.047 18411 5168 1 7 . 1 1 18 18 ILE N N 18 128.165 128.165 127.430 0.735 18411 5169 1 7 . 1 1 18 18 ILE HA H 18 4.995 4.995 4.585 0.410 18411 5170 1 7 . 1 1 18 18 ILE C C 18 172.309 172.309 174.008 -1.699 18411 5171 1 7 . 1 1 18 18 ILE CA C 18 59.123 59.123 59.318 -0.195 18411 5172 1 7 . 1 1 18 18 ILE CB C 18 43.984 43.984 41.587 2.397 18411 5173 1 7 . 1 1 18 18 ILE H H 18 9.574 9.574 9.163 0.411 18411 5174 1 7 . 1 1 19 19 THR N N 19 124.473 124.473 123.862 0.611 18411 5175 1 7 . 1 1 19 19 THR HA H 19 4.821 4.821 4.617 0.204 18411 5176 1 7 . 1 1 19 19 THR C C 19 174.104 174.104 174.342 -0.238 18411 5177 1 7 . 1 1 19 19 THR CA C 19 62.316 62.316 62.766 -0.450 18411 5178 1 7 . 1 1 19 19 THR CB C 19 69.287 69.287 69.079 0.208 18411 5179 1 7 . 1 1 19 19 THR H H 19 9.081 9.081 8.767 0.314 18411 5180 1 7 . 1 1 20 20 LEU N N 20 125.167 125.167 125.583 -0.416 18411 5181 1 7 . 1 1 20 20 LEU HA H 20 5.082 5.082 4.787 0.295 18411 5182 1 7 . 1 1 20 20 LEU C C 20 181.023 181.023 179.637 1.386 18411 5183 1 7 . 1 1 20 20 LEU CA C 20 54.191 54.191 54.181 0.010 18411 5184 1 7 . 1 1 20 20 LEU CB C 20 42.219 42.219 42.799 -0.580 18411 5185 1 7 . 1 1 20 20 LEU H H 20 9.227 9.227 8.883 0.344 18411 5186 1 7 . 1 1 21 21 THR N N 21 109.887 109.887 113.452 -3.565 18411 5187 1 7 . 1 1 21 21 THR HA H 21 3.831 3.831 3.999 -0.168 18411 5188 1 7 . 1 1 21 21 THR C C 21 174.716 174.716 175.021 -0.305 18411 5189 1 7 . 1 1 21 21 THR CA C 21 64.992 64.992 65.506 -0.514 18411 5190 1 7 . 1 1 21 21 THR CB C 21 68.529 68.529 68.647 -0.118 18411 5191 1 7 . 1 1 21 21 THR H H 21 8.603 8.603 8.492 0.111 18411 5192 1 7 . 1 1 22 22 ASP N N 22 117.311 117.311 118.117 -0.806 18411 5193 1 7 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.613 -0.019 18411 5194 1 7 . 1 1 22 22 ASP C C 22 177.771 177.771 177.098 0.673 18411 5195 1 7 . 1 1 22 22 ASP CA C 22 53.173 53.173 53.565 -0.392 18411 5196 1 7 . 1 1 22 22 ASP CB C 22 40.449 40.449 40.556 -0.107 18411 5197 1 7 . 1 1 22 22 ASP H H 22 7.530 7.530 7.954 -0.424 18411 5198 1 7 . 1 1 23 23 GLY N N 23 108.847 108.847 108.617 0.230 18411 5199 1 7 . 1 1 23 23 GLY C C 23 174.806 174.806 174.483 0.323 18411 5200 1 7 . 1 1 23 23 GLY CA C 23 45.028 45.028 44.838 0.190 18411 5201 1 7 . 1 1 23 23 GLY H H 23 8.203 8.203 7.704 0.499 18411 5202 1 7 . 1 1 24 24 LYS N N 24 122.092 122.092 123.206 -1.114 18411 5203 1 7 . 1 1 24 24 LYS HA H 24 4.267 4.267 4.169 0.098 18411 5204 1 7 . 1 1 24 24 LYS C C 24 175.350 175.350 176.175 -0.825 18411 5205 1 7 . 1 1 24 24 LYS CA C 24 57.060 57.060 55.724 1.335 18411 5206 1 7 . 1 1 24 24 LYS CB C 24 33.271 33.271 31.737 1.534 18411 5207 1 7 . 1 1 24 24 LYS H H 24 7.881 7.881 8.098 -0.217 18411 5208 1 7 . 1 1 25 25 GLN N N 25 119.585 119.585 125.119 -5.534 18411 5209 1 7 . 1 1 25 25 GLN HA H 25 5.561 5.561 5.065 0.496 18411 5210 1 7 . 1 1 25 25 GLN C C 25 176.631 176.631 175.692 0.939 18411 5211 1 7 . 1 1 25 25 GLN CA C 25 54.572 54.572 55.291 -0.720 18411 5212 1 7 . 1 1 25 25 GLN CB C 25 31.621 31.621 29.344 2.277 18411 5213 1 7 . 1 1 25 25 GLN H H 25 8.365 8.365 8.553 -0.188 18411 5214 1 7 . 1 1 26 26 VAL N N 26 123.115 123.115 120.962 2.153 18411 5215 1 7 . 1 1 26 26 VAL HA H 26 4.466 4.466 4.630 -0.164 18411 5216 1 7 . 1 1 26 26 VAL C C 26 174.390 174.390 174.427 -0.037 18411 5217 1 7 . 1 1 26 26 VAL CA C 26 61.142 61.142 59.325 1.817 18411 5218 1 7 . 1 1 26 26 VAL CB C 26 35.962 35.962 34.898 1.064 18411 5219 1 7 . 1 1 26 26 VAL H H 26 9.069 9.069 9.038 0.031 18411 5220 1 7 . 1 1 27 27 THR N N 27 122.509 122.509 119.764 2.745 18411 5221 1 7 . 1 1 27 27 THR HA H 27 5.437 5.437 5.001 0.436 18411 5222 1 7 . 1 1 27 27 THR C C 27 176.330 176.330 175.646 0.684 18411 5223 1 7 . 1 1 27 27 THR CA C 27 60.068 60.068 60.383 -0.315 18411 5224 1 7 . 1 1 27 27 THR CB C 27 70.655 70.655 70.661 -0.006 18411 5225 1 7 . 1 1 27 27 THR H H 27 8.256 8.256 8.225 0.031 18411 5226 1 7 . 1 1 28 28 LEU N N 28 131.816 131.816 125.971 5.845 18411 5227 1 7 . 1 1 28 28 LEU HA H 28 3.607 3.607 3.710 -0.103 18411 5228 1 7 . 1 1 28 28 LEU C C 28 180.093 180.093 178.347 1.746 18411 5229 1 7 . 1 1 28 28 LEU CA C 28 59.264 59.264 57.913 1.351 18411 5230 1 7 . 1 1 28 28 LEU CB C 28 39.396 39.396 41.795 -2.399 18411 5231 1 7 . 1 1 28 28 LEU H H 28 8.311 8.311 8.566 -0.255 18411 5232 1 7 . 1 1 29 29 SER N N 29 114.727 114.727 112.460 2.267 18411 5233 1 7 . 1 1 29 29 SER HA H 29 4.003 4.003 4.169 -0.166 18411 5234 1 7 . 1 1 29 29 SER C C 29 177.762 177.762 175.051 2.711 18411 5235 1 7 . 1 1 29 29 SER CA C 29 60.896 60.896 60.977 -0.082 18411 5236 1 7 . 1 1 29 29 SER CB C 29 61.091 61.091 62.803 -1.712 18411 5237 1 7 . 1 1 29 29 SER H H 29 9.491 9.491 8.785 0.706 18411 5238 1 7 . 1 1 30 30 SER N N 30 119.100 119.100 114.963 4.137 18411 5239 1 7 . 1 1 30 30 SER HA H 30 4.476 4.476 4.326 0.150 18411 5240 1 7 . 1 1 30 30 SER C C 30 175.104 175.104 175.190 -0.086 18411 5241 1 7 . 1 1 30 30 SER CA C 30 60.661 60.661 59.411 1.250 18411 5242 1 7 . 1 1 30 30 SER CB C 30 63.174 63.174 63.291 -0.117 18411 5243 1 7 . 1 1 30 30 SER H H 30 7.878 7.878 7.544 0.334 18411 5244 1 7 . 1 1 31 31 LEU N N 31 121.415 121.415 119.721 1.694 18411 5245 1 7 . 1 1 31 31 LEU HA H 31 4.258 4.258 4.452 -0.194 18411 5246 1 7 . 1 1 31 31 LEU C C 31 175.710 175.710 176.454 -0.744 18411 5247 1 7 . 1 1 31 31 LEU CA C 31 53.804 53.804 54.057 -0.253 18411 5248 1 7 . 1 1 31 31 LEU CB C 31 41.285 41.285 43.131 -1.846 18411 5249 1 7 . 1 1 31 31 LEU H H 31 8.026 8.026 7.590 0.436 18411 5250 1 7 . 1 1 32 32 ARG N N 32 119.061 119.061 119.714 -0.653 18411 5251 1 7 . 1 1 32 32 ARG HA H 32 4.411 4.411 4.077 0.335 18411 5252 1 7 . 1 1 32 32 ARG C C 32 177.585 177.585 177.071 0.514 18411 5253 1 7 . 1 1 32 32 ARG CA C 32 57.590 57.590 57.289 0.300 18411 5254 1 7 . 1 1 32 32 ARG CB C 32 29.497 29.497 30.714 -1.217 18411 5255 1 7 . 1 1 32 32 ARG H H 32 6.788 6.788 7.350 -0.562 18411 5256 1 7 . 1 1 33 33 GLY N N 33 114.033 114.033 110.400 3.633 18411 5257 1 7 . 1 1 33 33 GLY C C 33 173.456 173.456 173.973 -0.517 18411 5258 1 7 . 1 1 33 33 GLY CA C 33 44.684 44.684 45.000 -0.316 18411 5259 1 7 . 1 1 33 33 GLY H H 33 9.120 9.120 8.355 0.765 18411 5260 1 7 . 1 1 34 34 LYS N N 34 120.270 120.270 119.144 1.126 18411 5261 1 7 . 1 1 34 34 LYS HA H 34 4.606 4.606 4.636 -0.030 18411 5262 1 7 . 1 1 34 34 LYS C C 34 175.350 175.350 175.748 -0.398 18411 5263 1 7 . 1 1 34 34 LYS CA C 34 54.786 54.786 54.297 0.489 18411 5264 1 7 . 1 1 34 34 LYS CB C 34 34.125 34.125 35.509 -1.384 18411 5265 1 7 . 1 1 34 34 LYS H H 34 8.146 8.146 7.308 0.838 18411 5266 1 7 . 1 1 35 35 VAL N N 35 122.059 122.059 123.931 -1.872 18411 5267 1 7 . 1 1 35 35 VAL HA H 35 4.020 4.020 4.184 -0.164 18411 5268 1 7 . 1 1 35 35 VAL C C 35 174.699 174.699 173.790 0.909 18411 5269 1 7 . 1 1 35 35 VAL CA C 35 63.108 63.108 61.834 1.274 18411 5270 1 7 . 1 1 35 35 VAL CB C 35 33.022 33.022 32.555 0.467 18411 5271 1 7 . 1 1 35 35 VAL H H 35 8.757 8.757 8.830 -0.073 18411 5272 1 7 . 1 1 36 36 VAL N N 36 125.815 125.815 129.677 -3.862 18411 5273 1 7 . 1 1 36 36 VAL HA H 36 4.856 4.856 4.614 0.242 18411 5274 1 7 . 1 1 36 36 VAL C C 36 174.622 174.622 174.331 0.291 18411 5275 1 7 . 1 1 36 36 VAL CA C 36 60.078 60.078 60.114 -0.036 18411 5276 1 7 . 1 1 36 36 VAL CB C 36 35.605 35.605 33.445 2.160 18411 5277 1 7 . 1 1 36 36 VAL H H 36 8.485 8.485 8.300 0.185 18411 5278 1 7 . 1 1 37 37 MET N N 37 126.478 126.478 128.139 -1.661 18411 5279 1 7 . 1 1 37 37 MET HA H 37 5.383 5.383 4.939 0.444 18411 5280 1 7 . 1 1 37 37 MET C C 37 173.473 173.473 173.756 -0.283 18411 5281 1 7 . 1 1 37 37 MET CA C 37 53.661 53.661 54.441 -0.781 18411 5282 1 7 . 1 1 37 37 MET CB C 37 35.948 35.948 34.395 1.553 18411 5283 1 7 . 1 1 37 37 MET H H 37 8.694 8.694 8.913 -0.219 18411 5284 1 7 . 1 1 38 38 LEU N N 38 124.275 124.275 128.539 -4.264 18411 5285 1 7 . 1 1 38 38 LEU HA H 38 5.100 5.100 5.079 0.021 18411 5286 1 7 . 1 1 38 38 LEU C C 38 175.828 175.828 175.665 0.163 18411 5287 1 7 . 1 1 38 38 LEU CA C 38 52.144 52.144 52.941 -0.797 18411 5288 1 7 . 1 1 38 38 LEU CB C 38 42.898 42.898 42.188 0.710 18411 5289 1 7 . 1 1 38 38 LEU H H 38 9.181 9.181 9.233 -0.052 18411 5290 1 7 . 1 1 39 39 GLN N N 39 124.390 124.390 121.975 2.415 18411 5291 1 7 . 1 1 39 39 GLN HA H 39 5.369 5.369 4.868 0.501 18411 5292 1 7 . 1 1 39 39 GLN C C 39 175.696 175.696 174.725 0.971 18411 5293 1 7 . 1 1 39 39 GLN CA C 39 54.025 54.025 54.251 -0.226 18411 5294 1 7 . 1 1 39 39 GLN CB C 39 28.735 28.735 29.960 -1.225 18411 5295 1 7 . 1 1 39 39 GLN H H 39 8.325 8.325 8.143 0.182 18411 5296 1 7 . 1 1 40 40 PHE N N 40 128.800 128.800 125.447 3.353 18411 5297 1 7 . 1 1 40 40 PHE HA H 40 5.182 5.182 5.782 -0.600 18411 5298 1 7 . 1 1 40 40 PHE C C 40 175.432 175.432 175.814 -0.382 18411 5299 1 7 . 1 1 40 40 PHE CA C 40 59.370 59.370 57.152 2.218 18411 5300 1 7 . 1 1 40 40 PHE CB C 40 39.256 39.256 40.894 -1.638 18411 5301 1 7 . 1 1 40 40 PHE H H 40 8.899 8.899 9.489 -0.590 18411 5302 1 7 . 1 1 41 41 THR N N 41 117.616 117.616 115.731 1.885 18411 5303 1 7 . 1 1 41 41 THR HA H 41 5.274 5.274 4.625 0.649 18411 5304 1 7 . 1 1 41 41 THR C C 41 170.795 170.795 171.719 -0.924 18411 5305 1 7 . 1 1 41 41 THR CA C 41 59.448 59.448 59.933 -0.485 18411 5306 1 7 . 1 1 41 41 THR CB C 41 70.892 70.892 70.567 0.325 18411 5307 1 7 . 1 1 41 41 THR H H 41 8.589 8.589 8.894 -0.305 18411 5308 1 7 . 1 1 42 42 ALA N N 42 122.005 122.005 120.545 1.460 18411 5309 1 7 . 1 1 42 42 ALA HA H 42 4.162 4.162 4.783 -0.621 18411 5310 1 7 . 1 1 42 42 ALA C C 42 177.618 177.618 176.337 1.281 18411 5311 1 7 . 1 1 42 42 ALA CA C 42 52.454 52.454 50.724 1.730 18411 5312 1 7 . 1 1 42 42 ALA CB C 42 20.704 20.704 21.335 -0.631 18411 5313 1 7 . 1 1 42 42 ALA H H 42 7.201 7.201 7.805 -0.604 18411 5314 1 7 . 1 1 43 43 SER N N 43 117.426 117.426 115.017 2.409 18411 5315 1 7 . 1 1 43 43 SER HA H 43 1.542 1.542 2.774 -1.232 18411 5316 1 7 . 1 1 43 43 SER C C 43 174.845 174.845 173.855 0.990 18411 5317 1 7 . 1 1 43 43 SER CA C 43 60.202 60.202 59.636 0.565 18411 5318 1 7 . 1 1 43 43 SER CB C 43 63.040 63.040 63.158 -0.118 18411 5319 1 7 . 1 1 43 43 SER H H 43 9.472 9.472 8.320 1.152 18411 5320 1 7 . 1 1 44 44 TRP N N 44 116.512 116.512 115.440 1.072 18411 5321 1 7 . 1 1 44 44 TRP HA H 44 4.495 4.495 4.732 -0.237 18411 5322 1 7 . 1 1 44 44 TRP C C 44 176.297 176.297 174.866 1.431 18411 5323 1 7 . 1 1 44 44 TRP CA C 44 53.405 53.405 54.702 -1.297 18411 5324 1 7 . 1 1 44 44 TRP CB C 44 29.450 29.450 28.595 0.855 18411 5325 1 7 . 1 1 44 44 TRP H H 44 6.345 6.345 6.851 -0.506 18411 5326 1 7 . 1 1 45 45 CYS N N 45 125.015 125.015 122.845 2.170 18411 5327 1 7 . 1 1 45 45 CYS HA H 45 4.501 4.501 4.568 -0.067 18411 5328 1 7 . 1 1 45 45 CYS C C 45 176.409 176.409 176.191 0.218 18411 5329 1 7 . 1 1 45 45 CYS CA C 45 58.904 58.904 59.145 -0.241 18411 5330 1 7 . 1 1 45 45 CYS CB C 45 28.203 28.203 26.612 1.591 18411 5331 1 7 . 1 1 45 45 CYS H H 45 6.982 6.982 7.444 -0.462 18411 5332 1 7 . 1 1 46 46 GLY CA C 46 47.225 47.225 46.615 0.610 18411 5333 1 7 . 1 1 47 47 VAL HA H 47 3.804 3.804 3.742 0.062 18411 5334 1 7 . 1 1 47 47 VAL CA C 47 66.661 66.661 65.460 1.201 18411 5335 1 7 . 1 1 47 47 VAL CB C 47 31.506 31.506 31.671 -0.165 18411 5336 1 7 . 1 1 48 48 CYS HA H 48 3.875 3.875 4.536 -0.661 18411 5337 1 7 . 1 1 48 48 CYS C C 48 177.961 177.961 176.303 1.658 18411 5338 1 7 . 1 1 48 48 CYS CA C 48 65.053 65.053 60.462 4.591 18411 5339 1 7 . 1 1 48 48 CYS CB C 48 28.741 28.741 25.931 2.810 18411 5340 1 7 . 1 1 49 49 ARG N N 49 115.039 115.039 117.463 -2.424 18411 5341 1 7 . 1 1 49 49 ARG HA H 49 3.898 3.898 4.052 -0.154 18411 5342 1 7 . 1 1 49 49 ARG C C 49 177.871 177.871 176.959 0.912 18411 5343 1 7 . 1 1 49 49 ARG CA C 49 59.837 59.837 58.271 1.566 18411 5344 1 7 . 1 1 49 49 ARG CB C 49 30.585 30.585 29.546 1.039 18411 5345 1 7 . 1 1 49 49 ARG H H 49 7.658 7.658 7.424 0.234 18411 5346 1 7 . 1 1 50 50 LYS N N 50 117.909 117.909 117.779 0.130 18411 5347 1 7 . 1 1 50 50 LYS HA H 50 4.098 4.098 4.162 -0.064 18411 5348 1 7 . 1 1 50 50 LYS C C 50 177.723 177.723 177.844 -0.121 18411 5349 1 7 . 1 1 50 50 LYS CA C 50 58.198 58.198 58.088 0.110 18411 5350 1 7 . 1 1 50 50 LYS CB C 50 32.803 32.803 32.791 0.012 18411 5351 1 7 . 1 1 50 50 LYS H H 50 7.385 7.385 7.670 -0.285 18411 5352 1 7 . 1 1 51 51 GLU N N 51 117.196 117.196 120.302 -3.106 18411 5353 1 7 . 1 1 51 51 GLU HA H 51 3.453 3.453 3.365 0.088 18411 5354 1 7 . 1 1 51 51 GLU C C 51 179.194 179.194 178.823 0.371 18411 5355 1 7 . 1 1 51 51 GLU CA C 51 57.754 57.754 58.807 -1.053 18411 5356 1 7 . 1 1 51 51 GLU CB C 51 29.825 29.825 29.099 0.726 18411 5357 1 7 . 1 1 51 51 GLU H H 51 7.764 7.764 7.312 0.452 18411 5358 1 7 . 1 1 52 52 MET N N 52 118.785 118.785 120.323 -1.538 18411 5359 1 7 . 1 1 52 52 MET HA H 52 3.979 3.979 4.554 -0.575 18411 5360 1 7 . 1 1 52 52 MET C C 52 174.346 174.346 175.749 -1.403 18411 5361 1 7 . 1 1 52 52 MET CA C 52 62.384 62.384 61.580 0.804 18411 5362 1 7 . 1 1 52 52 MET CB C 52 32.805 32.805 30.885 1.920 18411 5363 1 7 . 1 1 52 52 MET H H 52 8.100 8.100 8.565 -0.465 18411 5364 1 7 . 1 1 53 53 PRO HA H 53 4.299 4.299 4.307 -0.008 18411 5365 1 7 . 1 1 53 53 PRO C C 53 179.242 179.242 179.473 -0.231 18411 5366 1 7 . 1 1 53 53 PRO CA C 53 65.708 65.708 66.265 -0.557 18411 5367 1 7 . 1 1 53 53 PRO CB C 53 31.570 31.570 31.447 0.123 18411 5368 1 7 . 1 1 54 54 PHE N N 54 116.067 116.067 117.846 -1.779 18411 5369 1 7 . 1 1 54 54 PHE HA H 54 4.372 4.372 4.328 0.044 18411 5370 1 7 . 1 1 54 54 PHE C C 54 178.283 178.283 178.433 -0.150 18411 5371 1 7 . 1 1 54 54 PHE CA C 54 61.249 61.249 62.718 -1.469 18411 5372 1 7 . 1 1 54 54 PHE CB C 54 38.366 38.366 38.843 -0.477 18411 5373 1 7 . 1 1 54 54 PHE H H 54 7.251 7.251 7.754 -0.503 18411 5374 1 7 . 1 1 55 55 ILE N N 55 122.051 122.051 120.370 1.681 18411 5375 1 7 . 1 1 55 55 ILE HA H 55 3.746 3.746 3.818 -0.072 18411 5376 1 7 . 1 1 55 55 ILE C C 55 179.005 179.005 178.143 0.862 18411 5377 1 7 . 1 1 55 55 ILE CA C 55 66.678 66.678 66.263 0.415 18411 5378 1 7 . 1 1 55 55 ILE CB C 55 37.449 37.449 37.853 -0.404 18411 5379 1 7 . 1 1 55 55 ILE H H 55 7.935 7.935 9.213 -1.278 18411 5380 1 7 . 1 1 56 56 GLU N N 56 120.941 120.941 120.678 0.263 18411 5381 1 7 . 1 1 56 56 GLU HA H 56 4.578 4.578 4.242 0.336 18411 5382 1 7 . 1 1 56 56 GLU C C 56 177.034 177.034 178.416 -1.382 18411 5383 1 7 . 1 1 56 56 GLU CA C 56 59.607 59.607 60.144 -0.537 18411 5384 1 7 . 1 1 56 56 GLU CB C 56 29.640 29.640 29.345 0.295 18411 5385 1 7 . 1 1 56 56 GLU H H 56 8.657 8.657 8.782 -0.125 18411 5386 1 7 . 1 1 57 57 LYS N N 57 114.712 114.712 118.119 -3.407 18411 5387 1 7 . 1 1 57 57 LYS HA H 57 4.165 4.165 4.162 0.003 18411 5388 1 7 . 1 1 57 57 LYS C C 57 177.831 177.831 178.843 -1.012 18411 5389 1 7 . 1 1 57 57 LYS CA C 57 59.905 59.905 59.102 0.803 18411 5390 1 7 . 1 1 57 57 LYS CB C 57 33.873 33.873 32.599 1.274 18411 5391 1 7 . 1 1 57 57 LYS H H 57 7.719 7.719 7.959 -0.240 18411 5392 1 7 . 1 1 58 58 ASP N N 58 114.953 114.953 115.589 -0.636 18411 5393 1 7 . 1 1 58 58 ASP HA H 58 4.843 4.843 4.807 0.036 18411 5394 1 7 . 1 1 58 58 ASP C C 58 176.515 176.515 178.011 -1.496 18411 5395 1 7 . 1 1 58 58 ASP CA C 58 56.125 56.125 55.637 0.488 18411 5396 1 7 . 1 1 58 58 ASP CB C 58 42.087 42.087 42.853 -0.766 18411 5397 1 7 . 1 1 58 58 ASP H H 58 8.783 8.783 8.487 0.296 18411 5398 1 7 . 1 1 59 59 ILE N N 59 115.807 115.807 121.232 -5.425 18411 5399 1 7 . 1 1 59 59 ILE HA H 59 4.268 4.268 4.178 0.090 18411 5400 1 7 . 1 1 59 59 ILE C C 59 176.369 176.369 176.676 -0.307 18411 5401 1 7 . 1 1 59 59 ILE CA C 59 63.757 63.757 63.704 0.053 18411 5402 1 7 . 1 1 59 59 ILE CB C 59 40.396 40.396 39.274 1.122 18411 5403 1 7 . 1 1 59 59 ILE H H 59 7.455 7.455 8.173 -0.718 18411 5404 1 7 . 1 1 60 60 TRP N N 60 120.937 120.937 121.984 -1.047 18411 5405 1 7 . 1 1 60 60 TRP HA H 60 4.727 4.727 4.310 0.417 18411 5406 1 7 . 1 1 60 60 TRP C C 60 177.428 177.428 178.403 -0.975 18411 5407 1 7 . 1 1 60 60 TRP CA C 60 60.644 60.644 60.794 -0.150 18411 5408 1 7 . 1 1 60 60 TRP CB C 60 30.907 30.907 30.556 0.351 18411 5409 1 7 . 1 1 60 60 TRP H H 60 9.012 9.012 8.665 0.347 18411 5410 1 7 . 1 1 61 61 LEU N N 61 113.624 113.624 118.983 -5.359 18411 5411 1 7 . 1 1 61 61 LEU HA H 61 3.572 3.572 3.700 -0.128 18411 5412 1 7 . 1 1 61 61 LEU C C 61 179.473 179.473 178.624 0.849 18411 5413 1 7 . 1 1 61 61 LEU CA C 61 57.569 57.569 57.742 -0.173 18411 5414 1 7 . 1 1 61 61 LEU CB C 61 41.040 41.040 41.227 -0.187 18411 5415 1 7 . 1 1 61 61 LEU H H 61 9.210 9.210 8.494 0.716 18411 5416 1 7 . 1 1 62 62 LYS N N 62 112.991 112.991 114.429 -1.438 18411 5417 1 7 . 1 1 62 62 LYS HA H 62 3.889 3.889 3.877 0.012 18411 5418 1 7 . 1 1 62 62 LYS C C 62 178.111 178.111 177.173 0.938 18411 5419 1 7 . 1 1 62 62 LYS CA C 62 56.667 56.667 58.178 -1.511 18411 5420 1 7 . 1 1 62 62 LYS CB C 62 31.651 31.651 31.820 -0.169 18411 5421 1 7 . 1 1 62 62 LYS H H 62 6.216 6.216 8.232 -2.016 18411 5422 1 7 . 1 1 63 63 HIS N N 63 114.656 114.656 113.631 1.025 18411 5423 1 7 . 1 1 63 63 HIS HA H 63 4.943 4.943 4.556 0.387 18411 5424 1 7 . 1 1 63 63 HIS C C 63 177.057 177.057 174.759 2.298 18411 5425 1 7 . 1 1 63 63 HIS CA C 63 56.133 56.133 56.300 -0.167 18411 5426 1 7 . 1 1 63 63 HIS CB C 63 33.235 33.235 32.621 0.614 18411 5427 1 7 . 1 1 63 63 HIS H H 63 7.067 7.067 7.465 -0.398 18411 5428 1 7 . 1 1 64 64 LYS N N 64 119.155 119.155 117.868 1.287 18411 5429 1 7 . 1 1 64 64 LYS HA H 64 3.513 3.513 2.776 0.737 18411 5430 1 7 . 1 1 64 64 LYS C C 64 177.074 177.074 177.391 -0.317 18411 5431 1 7 . 1 1 64 64 LYS CA C 64 59.166 59.166 58.975 0.191 18411 5432 1 7 . 1 1 64 64 LYS CB C 64 28.740 28.740 30.371 -1.631 18411 5433 1 7 . 1 1 64 64 LYS H H 64 8.114 8.114 8.175 -0.061 18411 5434 1 7 . 1 1 65 65 ASP N N 65 117.882 117.882 118.706 -0.824 18411 5435 1 7 . 1 1 65 65 ASP HA H 65 4.714 4.714 4.422 0.292 18411 5436 1 7 . 1 1 65 65 ASP C C 65 175.195 175.195 178.499 -3.304 18411 5437 1 7 . 1 1 65 65 ASP CA C 65 54.204 54.204 55.744 -1.540 18411 5438 1 7 . 1 1 65 65 ASP CB C 65 40.564 40.564 41.120 -0.556 18411 5439 1 7 . 1 1 65 65 ASP H H 65 7.963 7.963 8.115 -0.152 18411 5440 1 7 . 1 1 66 66 ASN N N 66 122.091 122.091 117.796 4.295 18411 5441 1 7 . 1 1 66 66 ASN HA H 66 4.659 4.659 4.193 0.466 18411 5442 1 7 . 1 1 66 66 ASN C C 66 176.046 176.046 174.799 1.247 18411 5443 1 7 . 1 1 66 66 ASN CA C 66 52.799 52.799 55.711 -2.912 18411 5444 1 7 . 1 1 66 66 ASN CB C 66 39.054 39.054 37.656 1.398 18411 5445 1 7 . 1 1 66 66 ASN H H 66 8.184 8.184 8.470 -0.286 18411 5446 1 7 . 1 1 67 67 ALA N N 67 128.893 128.893 120.785 8.108 18411 5447 1 7 . 1 1 67 67 ALA HA H 67 4.295 4.295 4.332 -0.037 18411 5448 1 7 . 1 1 67 67 ALA C C 67 177.886 177.886 175.553 2.333 18411 5449 1 7 . 1 1 67 67 ALA CA C 67 54.049 54.049 53.204 0.845 18411 5450 1 7 . 1 1 67 67 ALA CB C 67 18.549 18.549 19.759 -1.210 18411 5451 1 7 . 1 1 67 67 ALA H H 67 8.806 8.806 8.528 0.278 18411 5452 1 7 . 1 1 68 68 ASP N N 68 116.612 116.612 116.984 -0.372 18411 5453 1 7 . 1 1 68 68 ASP HA H 68 4.823 4.823 4.782 0.041 18411 5454 1 7 . 1 1 68 68 ASP C C 68 173.310 173.310 174.835 -1.525 18411 5455 1 7 . 1 1 68 68 ASP CA C 68 54.202 54.202 53.337 0.865 18411 5456 1 7 . 1 1 68 68 ASP CB C 68 40.892 40.892 41.058 -0.166 18411 5457 1 7 . 1 1 68 68 ASP H H 68 8.759 8.759 8.085 0.674 18411 5458 1 7 . 1 1 69 69 PHE N N 69 119.640 119.640 122.579 -2.939 18411 5459 1 7 . 1 1 69 69 PHE HA H 69 5.741 5.741 5.293 0.448 18411 5460 1 7 . 1 1 69 69 PHE C C 69 173.860 173.860 173.304 0.556 18411 5461 1 7 . 1 1 69 69 PHE CA C 69 56.192 56.192 56.593 -0.401 18411 5462 1 7 . 1 1 69 69 PHE CB C 69 43.496 43.496 42.484 1.012 18411 5463 1 7 . 1 1 69 69 PHE H H 69 7.912 7.912 7.933 -0.021 18411 5464 1 7 . 1 1 70 70 ALA N N 70 130.226 130.226 128.012 2.214 18411 5465 1 7 . 1 1 70 70 ALA HA H 70 4.321 4.321 4.586 -0.265 18411 5466 1 7 . 1 1 70 70 ALA C C 70 171.945 171.945 174.317 -2.372 18411 5467 1 7 . 1 1 70 70 ALA CA C 70 51.573 51.573 51.228 0.345 18411 5468 1 7 . 1 1 70 70 ALA CB C 70 23.273 23.273 21.945 1.328 18411 5469 1 7 . 1 1 70 70 ALA H H 70 8.298 8.298 8.462 -0.164 18411 5470 1 7 . 1 1 71 71 LEU N N 71 122.090 122.090 125.589 -3.499 18411 5471 1 7 . 1 1 71 71 LEU HA H 71 5.120 5.120 5.147 -0.027 18411 5472 1 7 . 1 1 71 71 LEU C C 71 174.836 174.836 175.032 -0.196 18411 5473 1 7 . 1 1 71 71 LEU CA C 71 53.348 53.348 53.954 -0.606 18411 5474 1 7 . 1 1 71 71 LEU CB C 71 46.617 46.617 45.092 1.525 18411 5475 1 7 . 1 1 71 71 LEU H H 71 7.217 7.217 8.519 -1.302 18411 5476 1 7 . 1 1 72 72 ILE N N 72 123.189 123.189 125.205 -2.016 18411 5477 1 7 . 1 1 72 72 ILE HA H 72 4.336 4.336 4.793 -0.457 18411 5478 1 7 . 1 1 72 72 ILE C C 72 175.377 175.377 174.858 0.519 18411 5479 1 7 . 1 1 72 72 ILE CA C 72 60.236 60.236 59.685 0.551 18411 5480 1 7 . 1 1 72 72 ILE CB C 72 42.355 42.355 41.893 0.462 18411 5481 1 7 . 1 1 72 72 ILE H H 72 8.211 8.211 8.605 -0.394 18411 5482 1 7 . 1 1 73 73 GLY N N 73 114.189 114.189 114.593 -0.404 18411 5483 1 7 . 1 1 73 73 GLY C C 73 172.626 172.626 173.256 -0.630 18411 5484 1 7 . 1 1 73 73 GLY CA C 73 44.213 44.213 43.909 0.304 18411 5485 1 7 . 1 1 73 73 GLY H H 73 9.202 9.202 8.579 0.623 18411 5486 1 7 . 1 1 74 74 ILE N N 74 126.577 126.577 127.558 -0.981 18411 5487 1 7 . 1 1 74 74 ILE HA H 74 3.873 3.873 4.941 -1.068 18411 5488 1 7 . 1 1 74 74 ILE C C 74 174.792 174.792 174.725 0.067 18411 5489 1 7 . 1 1 74 74 ILE CA C 74 61.660 61.660 60.338 1.322 18411 5490 1 7 . 1 1 74 74 ILE CB C 74 37.394 37.394 39.359 -1.965 18411 5491 1 7 . 1 1 74 74 ILE H H 74 9.279 9.279 9.086 0.193 18411 5492 1 7 . 1 1 75 75 ASP N N 75 129.040 129.040 127.923 1.117 18411 5493 1 7 . 1 1 75 75 ASP HA H 75 5.213 5.213 5.246 -0.033 18411 5494 1 7 . 1 1 75 75 ASP C C 75 175.696 175.696 176.930 -1.234 18411 5495 1 7 . 1 1 75 75 ASP CA C 75 52.425 52.425 53.378 -0.953 18411 5496 1 7 . 1 1 75 75 ASP CB C 75 41.673 41.673 43.643 -1.970 18411 5497 1 7 . 1 1 75 75 ASP H H 75 8.592 8.592 8.727 -0.135 18411 5498 1 7 . 1 1 76 76 ARG N N 76 128.762 128.762 125.665 3.097 18411 5499 1 7 . 1 1 76 76 ARG HA H 76 4.346 4.346 4.020 0.326 18411 5500 1 7 . 1 1 76 76 ARG C C 76 174.562 174.562 175.565 -1.003 18411 5501 1 7 . 1 1 76 76 ARG CA C 76 58.885 58.885 58.745 0.140 18411 5502 1 7 . 1 1 76 76 ARG CB C 76 32.732 32.732 30.822 1.910 18411 5503 1 7 . 1 1 76 76 ARG H H 76 8.842 8.842 8.763 0.079 18411 5504 1 7 . 1 1 77 77 ASP N N 77 128.451 128.451 112.012 16.439 18411 5505 1 7 . 1 1 77 77 ASP HA H 77 4.473 4.473 4.794 -0.321 18411 5506 1 7 . 1 1 77 77 ASP C C 77 173.969 173.969 176.372 -2.403 18411 5507 1 7 . 1 1 77 77 ASP CA C 77 56.139 56.139 54.239 1.901 18411 5508 1 7 . 1 1 77 77 ASP CB C 77 42.541 42.541 42.995 -0.454 18411 5509 1 7 . 1 1 77 77 ASP H H 77 8.256 8.256 8.613 -0.357 18411 5510 1 7 . 1 1 78 78 GLU N N 78 114.796 114.796 122.190 -7.394 18411 5511 1 7 . 1 1 78 78 GLU HA H 78 5.060 5.060 4.669 0.391 18411 5512 1 7 . 1 1 78 78 GLU C C 78 174.225 174.225 174.941 -0.716 18411 5513 1 7 . 1 1 78 78 GLU CA C 78 54.220 54.220 54.983 -0.763 18411 5514 1 7 . 1 1 78 78 GLU CB C 78 32.842 32.842 30.068 2.774 18411 5515 1 7 . 1 1 78 78 GLU H H 78 8.010 8.010 8.899 -0.889 18411 5516 1 7 . 1 1 79 79 PRO HA H 79 4.579 4.579 4.509 0.070 18411 5517 1 7 . 1 1 79 79 PRO C C 79 177.508 177.508 178.013 -0.505 18411 5518 1 7 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.440 -0.372 18411 5519 1 7 . 1 1 79 79 PRO CB C 79 33.096 33.096 32.538 0.558 18411 5520 1 7 . 1 1 80 80 LEU N N 80 122.209 122.209 120.757 1.452 18411 5521 1 7 . 1 1 80 80 LEU HA H 80 3.927 3.927 3.915 0.012 18411 5522 1 7 . 1 1 80 80 LEU C C 80 177.847 177.847 178.756 -0.909 18411 5523 1 7 . 1 1 80 80 LEU CA C 80 59.188 59.188 59.637 -0.449 18411 5524 1 7 . 1 1 80 80 LEU CB C 80 42.001 42.001 41.004 0.997 18411 5525 1 7 . 1 1 80 80 LEU H H 80 8.943 8.943 8.437 0.506 18411 5526 1 7 . 1 1 81 81 GLU N N 81 115.361 115.361 117.413 -2.052 18411 5527 1 7 . 1 1 81 81 GLU HA H 81 3.999 3.999 4.047 -0.048 18411 5528 1 7 . 1 1 81 81 GLU C C 81 180.044 180.044 178.508 1.536 18411 5529 1 7 . 1 1 81 81 GLU CA C 81 60.552 60.552 59.249 1.302 18411 5530 1 7 . 1 1 81 81 GLU CB C 81 28.723 28.723 28.475 0.248 18411 5531 1 7 . 1 1 81 81 GLU H H 81 9.534 9.534 8.972 0.562 18411 5532 1 7 . 1 1 82 82 LYS N N 82 118.582 118.582 119.582 -1.000 18411 5533 1 7 . 1 1 82 82 LYS HA H 82 4.183 4.183 4.084 0.099 18411 5534 1 7 . 1 1 82 82 LYS C C 82 179.226 179.226 178.527 0.699 18411 5535 1 7 . 1 1 82 82 LYS CA C 82 58.248 58.248 58.440 -0.192 18411 5536 1 7 . 1 1 82 82 LYS CB C 82 32.912 32.912 31.507 1.405 18411 5537 1 7 . 1 1 82 82 LYS H H 82 7.332 7.332 7.846 -0.514 18411 5538 1 7 . 1 1 83 83 VAL N N 83 122.971 122.971 121.086 1.885 18411 5539 1 7 . 1 1 83 83 VAL HA H 83 3.554 3.554 3.816 -0.262 18411 5540 1 7 . 1 1 83 83 VAL C C 83 178.331 178.331 178.614 -0.283 18411 5541 1 7 . 1 1 83 83 VAL CA C 83 67.063 67.063 66.256 0.807 18411 5542 1 7 . 1 1 83 83 VAL CB C 83 31.497 31.497 31.065 0.432 18411 5543 1 7 . 1 1 83 83 VAL H H 83 7.743 7.743 8.150 -0.407 18411 5544 1 7 . 1 1 84 84 LEU N N 84 119.209 119.209 118.308 0.901 18411 5545 1 7 . 1 1 84 84 LEU HA H 84 4.030 4.030 4.148 -0.118 18411 5546 1 7 . 1 1 84 84 LEU C C 84 180.647 180.647 178.436 2.211 18411 5547 1 7 . 1 1 84 84 LEU CA C 84 57.975 57.975 56.811 1.164 18411 5548 1 7 . 1 1 84 84 LEU CB C 84 42.010 42.010 39.700 2.310 18411 5549 1 7 . 1 1 84 84 LEU H H 84 8.706 8.706 8.801 -0.095 18411 5550 1 7 . 1 1 85 85 ALA N N 85 120.801 120.801 123.578 -2.777 18411 5551 1 7 . 1 1 85 85 ALA HA H 85 4.198 4.198 4.327 -0.129 18411 5552 1 7 . 1 1 85 85 ALA C C 85 180.253 180.253 179.587 0.666 18411 5553 1 7 . 1 1 85 85 ALA CA C 85 54.947 54.947 54.507 0.440 18411 5554 1 7 . 1 1 85 85 ALA CB C 85 17.973 17.973 18.760 -0.787 18411 5555 1 7 . 1 1 85 85 ALA H H 85 7.440 7.440 7.733 -0.293 18411 5556 1 7 . 1 1 86 86 PHE N N 86 123.035 123.035 120.930 2.105 18411 5557 1 7 . 1 1 86 86 PHE HA H 86 4.905 4.905 4.041 0.864 18411 5558 1 7 . 1 1 86 86 PHE C C 86 179.015 179.015 176.890 2.125 18411 5559 1 7 . 1 1 86 86 PHE CA C 86 56.648 56.648 61.245 -4.597 18411 5560 1 7 . 1 1 86 86 PHE CB C 86 39.249 39.249 39.443 -0.194 18411 5561 1 7 . 1 1 86 86 PHE H H 86 8.040 8.040 8.731 -0.691 18411 5562 1 7 . 1 1 87 87 ALA N N 87 123.932 123.932 120.627 3.305 18411 5563 1 7 . 1 1 87 87 ALA HA H 87 3.480 3.480 3.853 -0.373 18411 5564 1 7 . 1 1 87 87 ALA C C 87 179.800 179.800 179.420 0.380 18411 5565 1 7 . 1 1 87 87 ALA CA C 87 55.183 55.183 55.304 -0.121 18411 5566 1 7 . 1 1 87 87 ALA CB C 87 17.602 17.602 18.352 -0.750 18411 5567 1 7 . 1 1 87 87 ALA H H 87 8.453 8.453 8.116 0.337 18411 5568 1 7 . 1 1 88 88 LYS N N 88 116.535 116.535 116.615 -0.080 18411 5569 1 7 . 1 1 88 88 LYS HA H 88 4.030 4.030 4.007 0.023 18411 5570 1 7 . 1 1 88 88 LYS C C 88 179.562 179.562 176.857 2.705 18411 5571 1 7 . 1 1 88 88 LYS CA C 88 59.063 59.063 58.199 0.864 18411 5572 1 7 . 1 1 88 88 LYS CB C 88 32.466 32.466 31.817 0.649 18411 5573 1 7 . 1 1 88 88 LYS H H 88 7.664 7.664 8.477 -0.813 18411 5574 1 7 . 1 1 89 89 SER N N 89 113.619 113.619 114.230 -0.611 18411 5575 1 7 . 1 1 89 89 SER HA H 89 4.271 4.271 4.370 -0.099 18411 5576 1 7 . 1 1 89 89 SER C C 89 177.004 177.004 174.262 2.742 18411 5577 1 7 . 1 1 89 89 SER CA C 89 61.139 61.139 60.179 0.960 18411 5578 1 7 . 1 1 89 89 SER CB C 89 63.327 63.327 63.127 0.200 18411 5579 1 7 . 1 1 89 89 SER H H 89 8.417 8.417 7.386 1.031 18411 5580 1 7 . 1 1 90 90 THR N N 90 109.601 109.601 107.685 1.916 18411 5581 1 7 . 1 1 90 90 THR HA H 90 4.287 4.287 4.514 -0.227 18411 5582 1 7 . 1 1 90 90 THR C C 90 176.074 176.074 175.019 1.055 18411 5583 1 7 . 1 1 90 90 THR CA C 90 62.926 62.926 61.010 1.916 18411 5584 1 7 . 1 1 90 90 THR CB C 90 70.563 70.563 69.923 0.640 18411 5585 1 7 . 1 1 90 90 THR H H 90 7.710 7.710 7.642 0.068 18411 5586 1 7 . 1 1 91 91 GLY N N 91 110.243 110.243 111.274 -1.031 18411 5587 1 7 . 1 1 91 91 GLY C C 91 174.815 174.815 173.818 0.997 18411 5588 1 7 . 1 1 91 91 GLY CA C 91 46.042 46.042 45.456 0.586 18411 5589 1 7 . 1 1 91 91 GLY H H 91 7.609 7.609 7.477 0.132 18411 5590 1 7 . 1 1 92 92 VAL N N 92 112.099 112.099 122.486 -10.387 18411 5591 1 7 . 1 1 92 92 VAL HA H 92 4.309 4.309 3.427 0.882 18411 5592 1 7 . 1 1 92 92 VAL C C 92 178.372 178.372 176.286 2.086 18411 5593 1 7 . 1 1 92 92 VAL CA C 92 60.696 60.696 62.952 -2.256 18411 5594 1 7 . 1 1 92 92 VAL CB C 92 32.337 32.337 30.257 2.080 18411 5595 1 7 . 1 1 92 92 VAL H H 92 7.046 7.046 7.739 -0.693 18411 5596 1 7 . 1 1 93 93 THR N N 93 114.289 114.289 116.743 -2.454 18411 5597 1 7 . 1 1 93 93 THR HA H 93 4.457 4.457 4.314 0.143 18411 5598 1 7 . 1 1 93 93 THR C C 93 175.115 175.115 174.466 0.649 18411 5599 1 7 . 1 1 93 93 THR CA C 93 61.280 61.280 61.937 -0.657 18411 5600 1 7 . 1 1 93 93 THR CB C 93 70.314 70.314 70.146 0.168 18411 5601 1 7 . 1 1 93 93 THR H H 93 10.844 10.844 8.686 2.158 18411 5602 1 7 . 1 1 94 94 TYR N N 94 122.050 122.050 121.273 0.777 18411 5603 1 7 . 1 1 94 94 TYR HA H 94 3.740 3.740 4.102 -0.362 18411 5604 1 7 . 1 1 94 94 TYR C C 94 171.563 171.563 173.521 -1.958 18411 5605 1 7 . 1 1 94 94 TYR CA C 94 53.080 53.080 52.974 0.106 18411 5606 1 7 . 1 1 94 94 TYR CB C 94 34.195 34.195 36.477 -2.282 18411 5607 1 7 . 1 1 94 94 TYR H H 94 6.391 6.391 6.784 -0.393 18411 5608 1 7 . 1 1 95 95 PRO HA H 95 4.105 4.105 4.295 -0.190 18411 5609 1 7 . 1 1 95 95 PRO C C 95 175.152 175.152 175.537 -0.385 18411 5610 1 7 . 1 1 95 95 PRO CA C 95 63.799 63.799 62.900 0.899 18411 5611 1 7 . 1 1 95 95 PRO CB C 95 32.919 32.919 32.311 0.608 18411 5612 1 7 . 1 1 96 96 LEU N N 96 122.325 122.325 123.007 -0.682 18411 5613 1 7 . 1 1 96 96 LEU HA H 96 5.143 5.143 5.050 0.093 18411 5614 1 7 . 1 1 96 96 LEU C C 96 176.072 176.072 176.560 -0.488 18411 5615 1 7 . 1 1 96 96 LEU CA C 96 52.794 52.794 53.600 -0.806 18411 5616 1 7 . 1 1 96 96 LEU CB C 96 45.567 45.567 45.237 0.330 18411 5617 1 7 . 1 1 96 96 LEU H H 96 8.256 8.256 8.443 -0.187 18411 5618 1 7 . 1 1 97 97 GLY N N 97 107.295 107.295 108.618 -1.323 18411 5619 1 7 . 1 1 97 97 GLY C C 97 171.546 171.546 172.490 -0.944 18411 5620 1 7 . 1 1 97 97 GLY CA C 97 44.069 44.069 43.508 0.562 18411 5621 1 7 . 1 1 97 97 GLY H H 97 9.177 9.177 9.000 0.177 18411 5622 1 7 . 1 1 98 98 LEU N N 98 118.550 118.550 119.533 -0.983 18411 5623 1 7 . 1 1 98 98 LEU HA H 98 4.872 4.872 4.778 0.094 18411 5624 1 7 . 1 1 98 98 LEU C C 98 176.132 176.132 174.514 1.618 18411 5625 1 7 . 1 1 98 98 LEU CA C 98 54.460 54.460 53.844 0.616 18411 5626 1 7 . 1 1 98 98 LEU CB C 98 43.567 43.567 43.368 0.199 18411 5627 1 7 . 1 1 98 98 LEU H H 98 8.106 8.106 8.171 -0.065 18411 5628 1 7 . 1 1 99 99 ASP N N 99 118.061 118.061 124.038 -5.977 18411 5629 1 7 . 1 1 99 99 ASP HA H 99 5.403 5.403 5.079 0.324 18411 5630 1 7 . 1 1 99 99 ASP C C 99 175.069 175.069 173.951 1.118 18411 5631 1 7 . 1 1 99 99 ASP CA C 99 51.057 51.057 50.608 0.449 18411 5632 1 7 . 1 1 99 99 ASP CB C 99 42.069 42.069 42.377 -0.308 18411 5633 1 7 . 1 1 99 99 ASP H H 99 8.481 8.481 8.743 -0.262 18411 5634 1 7 . 1 1 100 100 PRO HA H 100 4.564 4.564 4.415 0.149 18411 5635 1 7 . 1 1 100 100 PRO C C 100 179.600 179.600 177.139 2.461 18411 5636 1 7 . 1 1 100 100 PRO CA C 100 64.020 64.020 63.735 0.285 18411 5637 1 7 . 1 1 100 100 PRO CB C 100 31.455 31.455 31.148 0.307 18411 5638 1 7 . 1 1 101 101 GLY N N 101 114.780 114.780 111.797 2.983 18411 5639 1 7 . 1 1 101 101 GLY C C 101 173.600 173.600 173.947 -0.347 18411 5640 1 7 . 1 1 101 101 GLY CA C 101 46.175 46.175 44.780 1.395 18411 5641 1 7 . 1 1 101 101 GLY H H 101 9.045 9.045 8.290 0.755 18411 5642 1 7 . 1 1 102 102 ALA N N 102 117.089 117.089 121.931 -4.842 18411 5643 1 7 . 1 1 102 102 ALA HA H 102 4.376 4.376 4.153 0.223 18411 5644 1 7 . 1 1 102 102 ALA C C 102 175.955 175.955 176.900 -0.945 18411 5645 1 7 . 1 1 102 102 ALA CA C 102 52.693 52.693 52.699 -0.006 18411 5646 1 7 . 1 1 102 102 ALA CB C 102 18.256 18.256 17.189 1.067 18411 5647 1 7 . 1 1 102 102 ALA H H 102 8.257 8.257 7.985 0.272 18411 5648 1 7 . 1 1 103 103 ASP N N 103 118.691 118.691 119.091 -0.400 18411 5649 1 7 . 1 1 103 103 ASP HA H 103 4.444 4.444 4.475 -0.031 18411 5650 1 7 . 1 1 103 103 ASP C C 103 179.021 179.021 177.767 1.254 18411 5651 1 7 . 1 1 103 103 ASP CA C 103 57.935 57.935 56.892 1.044 18411 5652 1 7 . 1 1 103 103 ASP CB C 103 41.368 41.368 41.453 -0.085 18411 5653 1 7 . 1 1 103 103 ASP H H 103 6.739 6.739 8.274 -1.535 18411 5654 1 7 . 1 1 104 104 ILE N N 104 126.075 126.075 119.541 6.534 18411 5655 1 7 . 1 1 104 104 ILE HA H 104 3.682 3.682 3.748 -0.066 18411 5656 1 7 . 1 1 104 104 ILE C C 104 179.321 179.321 177.460 1.861 18411 5657 1 7 . 1 1 104 104 ILE CA C 104 66.522 66.522 62.851 3.671 18411 5658 1 7 . 1 1 104 104 ILE CB C 104 36.754 36.754 37.041 -0.287 18411 5659 1 7 . 1 1 104 104 ILE H H 104 11.476 11.476 8.214 3.262 18411 5660 1 7 . 1 1 105 105 PHE N N 105 124.513 124.513 119.528 4.985 18411 5661 1 7 . 1 1 105 105 PHE HA H 105 3.646 3.646 3.932 -0.286 18411 5662 1 7 . 1 1 105 105 PHE C C 105 177.818 177.818 177.198 0.620 18411 5663 1 7 . 1 1 105 105 PHE CA C 105 62.948 62.948 61.638 1.310 18411 5664 1 7 . 1 1 105 105 PHE CB C 105 38.350 38.350 39.270 -0.920 18411 5665 1 7 . 1 1 105 105 PHE H H 105 9.473 9.473 9.123 0.350 18411 5666 1 7 . 1 1 106 106 ALA N N 106 115.835 115.835 119.856 -4.021 18411 5667 1 7 . 1 1 106 106 ALA HA H 106 4.927 4.927 4.792 0.135 18411 5668 1 7 . 1 1 106 106 ALA C C 106 179.271 179.271 177.972 1.299 18411 5669 1 7 . 1 1 106 106 ALA CA C 106 52.672 52.672 53.075 -0.403 18411 5670 1 7 . 1 1 106 106 ALA CB C 106 19.093 19.093 18.724 0.369 18411 5671 1 7 . 1 1 106 106 ALA H H 106 8.418 8.418 7.560 0.858 18411 5672 1 7 . 1 1 107 107 LYS N N 107 116.823 116.823 116.611 0.212 18411 5673 1 7 . 1 1 107 107 LYS HA H 107 4.145 4.145 3.946 0.199 18411 5674 1 7 . 1 1 107 107 LYS C C 107 176.006 176.006 176.774 -0.768 18411 5675 1 7 . 1 1 107 107 LYS CA C 107 57.980 57.980 57.913 0.067 18411 5676 1 7 . 1 1 107 107 LYS CB C 107 33.041 33.041 32.238 0.803 18411 5677 1 7 . 1 1 107 107 LYS H H 107 8.106 8.106 7.580 0.526 18411 5678 1 7 . 1 1 108 108 TYR N N 108 114.793 114.793 114.725 0.068 18411 5679 1 7 . 1 1 108 108 TYR HA H 108 4.311 4.311 4.496 -0.185 18411 5680 1 7 . 1 1 108 108 TYR C C 108 176.010 176.010 174.056 1.954 18411 5681 1 7 . 1 1 108 108 TYR CA C 108 59.270 59.270 58.875 0.395 18411 5682 1 7 . 1 1 108 108 TYR CB C 108 40.965 40.965 40.968 -0.003 18411 5683 1 7 . 1 1 108 108 TYR H H 108 7.811 7.811 7.287 0.524 18411 5684 1 7 . 1 1 109 109 ALA N N 109 125.709 125.709 118.093 7.616 18411 5685 1 7 . 1 1 109 109 ALA HA H 109 4.760 4.760 4.635 0.125 18411 5686 1 7 . 1 1 109 109 ALA C C 109 174.711 174.711 174.546 0.165 18411 5687 1 7 . 1 1 109 109 ALA CA C 109 50.276 50.276 51.250 -0.974 18411 5688 1 7 . 1 1 109 109 ALA CB C 109 21.924 21.924 20.256 1.668 18411 5689 1 7 . 1 1 109 109 ALA H H 109 8.595 8.595 7.425 1.170 18411 5690 1 7 . 1 1 110 110 LEU N N 110 117.834 117.834 119.331 -1.497 18411 5691 1 7 . 1 1 110 110 LEU HA H 110 4.137 4.137 4.431 -0.294 18411 5692 1 7 . 1 1 110 110 LEU C C 110 179.153 179.153 178.829 0.324 18411 5693 1 7 . 1 1 110 110 LEU CA C 110 55.164 55.164 54.929 0.235 18411 5694 1 7 . 1 1 110 110 LEU CB C 110 42.292 42.292 42.173 0.119 18411 5695 1 7 . 1 1 110 110 LEU H H 110 7.814 7.814 8.207 -0.393 18411 5696 1 7 . 1 1 111 111 ARG N N 111 119.787 119.787 123.058 -3.271 18411 5697 1 7 . 1 1 111 111 ARG HA H 111 3.916 3.916 4.327 -0.411 18411 5698 1 7 . 1 1 111 111 ARG C C 111 176.962 176.962 177.112 -0.150 18411 5699 1 7 . 1 1 111 111 ARG CA C 111 60.538 60.538 59.772 0.766 18411 5700 1 7 . 1 1 111 111 ARG CB C 111 30.424 30.424 29.998 0.426 18411 5701 1 7 . 1 1 111 111 ARG H H 111 8.655 8.655 8.923 -0.268 18411 5702 1 7 . 1 1 112 112 ASP N N 112 113.338 113.338 117.240 -3.902 18411 5703 1 7 . 1 1 112 112 ASP HA H 112 4.662 4.662 4.724 -0.062 18411 5704 1 7 . 1 1 112 112 ASP C C 112 176.387 176.387 175.936 0.451 18411 5705 1 7 . 1 1 112 112 ASP CA C 112 52.833 52.833 54.526 -1.693 18411 5706 1 7 . 1 1 112 112 ASP CB C 112 40.135 40.135 40.423 -0.288 18411 5707 1 7 . 1 1 112 112 ASP H H 112 8.205 8.205 8.570 -0.365 18411 5708 1 7 . 1 1 113 113 ALA N N 113 122.885 122.885 123.564 -0.679 18411 5709 1 7 . 1 1 113 113 ALA HA H 113 4.347 4.347 4.459 -0.112 18411 5710 1 7 . 1 1 113 113 ALA C C 113 177.740 177.740 176.528 1.212 18411 5711 1 7 . 1 1 113 113 ALA CA C 113 51.983 51.983 51.102 0.881 18411 5712 1 7 . 1 1 113 113 ALA CB C 113 20.558 20.558 17.286 3.272 18411 5713 1 7 . 1 1 113 113 ALA H H 113 7.919 7.919 7.504 0.415 18411 5714 1 7 . 1 1 114 114 GLY CA C 114 45.480 45.480 44.757 0.723 18411 5715 1 7 . 1 1 115 115 ILE N N 115 122.165 122.165 124.233 -2.068 18411 5716 1 7 . 1 1 115 115 ILE HA H 115 4.119 4.119 4.362 -0.243 18411 5717 1 7 . 1 1 115 115 ILE CA C 115 60.788 60.788 62.447 -1.659 18411 5718 1 7 . 1 1 115 115 ILE CB C 115 39.651 39.651 38.264 1.387 18411 5719 1 7 . 1 1 115 115 ILE H H 115 8.253 8.253 8.447 -0.194 18411 5720 1 7 . 1 1 116 116 THR N N 116 110.198 110.198 118.767 -8.569 18411 5721 1 7 . 1 1 116 116 THR HA H 116 4.101 4.101 4.383 -0.282 18411 5722 1 7 . 1 1 116 116 THR CA C 116 62.947 62.947 63.934 -0.988 18411 5723 1 7 . 1 1 116 116 THR CB C 116 69.031 69.031 68.534 0.497 18411 5724 1 7 . 1 1 116 116 THR H H 116 7.033 7.033 7.934 -0.901 18411 5725 1 7 . 1 1 117 117 ARG N N 117 130.624 130.624 125.642 4.982 18411 5726 1 7 . 1 1 117 117 ARG HA H 117 4.997 4.997 4.981 0.016 18411 5727 1 7 . 1 1 117 117 ARG C C 117 173.296 173.296 173.833 -0.537 18411 5728 1 7 . 1 1 117 117 ARG CA C 117 56.468 56.468 55.155 1.313 18411 5729 1 7 . 1 1 117 117 ARG CB C 117 31.949 31.949 33.672 -1.722 18411 5730 1 7 . 1 1 117 117 ARG H H 117 8.250 8.250 8.460 -0.210 18411 5731 1 7 . 1 1 118 118 ASN N N 118 118.226 118.226 121.722 -3.496 18411 5732 1 7 . 1 1 118 118 ASN HA H 118 6.127 6.127 5.109 1.018 18411 5733 1 7 . 1 1 118 118 ASN C C 118 173.805 173.805 173.988 -0.183 18411 5734 1 7 . 1 1 118 118 ASN CA C 118 51.759 51.759 52.935 -1.176 18411 5735 1 7 . 1 1 118 118 ASN CB C 118 41.892 41.892 41.382 0.510 18411 5736 1 7 . 1 1 118 118 ASN H H 118 7.730 7.730 9.165 -1.435 18411 5737 1 7 . 1 1 119 119 VAL N N 119 120.477 120.477 125.387 -4.910 18411 5738 1 7 . 1 1 119 119 VAL HA H 119 4.766 4.766 4.666 0.100 18411 5739 1 7 . 1 1 119 119 VAL C C 119 173.809 173.809 174.762 -0.953 18411 5740 1 7 . 1 1 119 119 VAL CA C 119 60.808 60.808 61.557 -0.749 18411 5741 1 7 . 1 1 119 119 VAL CB C 119 35.887 35.887 32.326 3.561 18411 5742 1 7 . 1 1 119 119 VAL H H 119 9.269 9.269 9.173 0.096 18411 5743 1 7 . 1 1 120 120 LEU N N 120 128.017 128.017 130.539 -2.522 18411 5744 1 7 . 1 1 120 120 LEU HA H 120 5.350 5.350 4.735 0.615 18411 5745 1 7 . 1 1 120 120 LEU C C 120 174.606 174.606 174.906 -0.300 18411 5746 1 7 . 1 1 120 120 LEU CA C 120 53.563 53.563 54.088 -0.525 18411 5747 1 7 . 1 1 120 120 LEU CB C 120 46.211 46.211 43.748 2.463 18411 5748 1 7 . 1 1 120 120 LEU H H 120 8.829 8.829 8.107 0.722 18411 5749 1 7 . 1 1 121 121 ILE N N 121 131.629 131.629 127.829 3.800 18411 5750 1 7 . 1 1 121 121 ILE HA H 121 4.799 4.799 4.978 -0.179 18411 5751 1 7 . 1 1 121 121 ILE C C 121 174.731 174.731 175.487 -0.756 18411 5752 1 7 . 1 1 121 121 ILE CA C 121 60.450 60.450 59.909 0.541 18411 5753 1 7 . 1 1 121 121 ILE CB C 121 41.651 41.651 39.696 1.955 18411 5754 1 7 . 1 1 121 121 ILE H H 121 9.659 9.659 9.230 0.429 18411 5755 1 7 . 1 1 122 122 ASP N N 122 124.197 124.197 126.544 -2.347 18411 5756 1 7 . 1 1 122 122 ASP HA H 122 4.513 4.513 4.714 -0.201 18411 5757 1 7 . 1 1 122 122 ASP C C 122 177.586 177.586 177.296 0.290 18411 5758 1 7 . 1 1 122 122 ASP CA C 122 52.442 52.442 53.572 -1.130 18411 5759 1 7 . 1 1 122 122 ASP CB C 122 41.476 41.476 42.887 -1.411 18411 5760 1 7 . 1 1 122 122 ASP H H 122 9.128 9.128 8.986 0.142 18411 5761 1 7 . 1 1 123 123 ARG N N 123 113.396 113.396 117.964 -4.568 18411 5762 1 7 . 1 1 123 123 ARG HA H 123 4.186 4.186 4.301 -0.115 18411 5763 1 7 . 1 1 123 123 ARG C C 123 178.717 178.717 177.003 1.714 18411 5764 1 7 . 1 1 123 123 ARG CA C 123 58.243 58.243 58.227 0.016 18411 5765 1 7 . 1 1 123 123 ARG CB C 123 30.783 30.783 29.406 1.377 18411 5766 1 7 . 1 1 123 123 ARG H H 123 7.870 7.870 8.725 -0.855 18411 5767 1 7 . 1 1 124 124 GLU N N 124 117.427 117.427 118.598 -1.171 18411 5768 1 7 . 1 1 124 124 GLU HA H 124 4.310 4.310 4.144 0.166 18411 5769 1 7 . 1 1 124 124 GLU C C 124 176.034 176.034 177.269 -1.235 18411 5770 1 7 . 1 1 124 124 GLU CA C 124 56.164 56.164 57.123 -0.959 18411 5771 1 7 . 1 1 124 124 GLU CB C 124 30.541 30.541 30.035 0.506 18411 5772 1 7 . 1 1 124 124 GLU H H 124 8.155 8.155 8.674 -0.519 18411 5773 1 7 . 1 1 125 125 GLY N N 125 105.681 105.681 106.250 -0.569 18411 5774 1 7 . 1 1 125 125 GLY C C 125 174.204 174.204 173.510 0.694 18411 5775 1 7 . 1 1 125 125 GLY CA C 125 45.160 45.160 44.705 0.455 18411 5776 1 7 . 1 1 125 125 GLY H H 125 8.094 8.094 8.015 0.079 18411 5777 1 7 . 1 1 126 126 LYS N N 126 122.326 122.326 121.374 0.952 18411 5778 1 7 . 1 1 126 126 LYS HA H 126 4.647 4.647 5.141 -0.494 18411 5779 1 7 . 1 1 126 126 LYS C C 126 176.390 176.390 175.850 0.540 18411 5780 1 7 . 1 1 126 126 LYS CA C 126 55.393 55.393 55.153 0.240 18411 5781 1 7 . 1 1 126 126 LYS CB C 126 33.569 33.569 34.704 -1.135 18411 5782 1 7 . 1 1 126 126 LYS H H 126 8.502 8.502 8.792 -0.290 18411 5783 1 7 . 1 1 127 127 ILE N N 127 121.946 121.946 123.855 -1.909 18411 5784 1 7 . 1 1 127 127 ILE HA H 127 4.048 4.048 4.383 -0.335 18411 5785 1 7 . 1 1 127 127 ILE C C 127 177.735 177.735 176.638 1.097 18411 5786 1 7 . 1 1 127 127 ILE CA C 127 63.200 63.200 62.151 1.049 18411 5787 1 7 . 1 1 127 127 ILE CB C 127 38.106 38.106 37.414 0.691 18411 5788 1 7 . 1 1 127 127 ILE H H 127 8.739 8.739 9.030 -0.291 18411 5789 1 7 . 1 1 128 128 VAL N N 128 122.026 122.026 122.581 -0.555 18411 5790 1 7 . 1 1 128 128 VAL HA H 128 4.695 4.695 4.351 0.344 18411 5791 1 7 . 1 1 128 128 VAL C C 128 175.968 175.968 175.299 0.669 18411 5792 1 7 . 1 1 128 128 VAL CA C 128 61.535 61.535 61.650 -0.115 18411 5793 1 7 . 1 1 128 128 VAL CB C 128 33.996 33.996 32.882 1.114 18411 5794 1 7 . 1 1 128 128 VAL H H 128 9.397 9.397 9.021 0.376 18411 5795 1 7 . 1 1 129 129 LYS N N 129 121.635 121.635 120.596 1.039 18411 5796 1 7 . 1 1 129 129 LYS HA H 129 4.359 4.359 4.552 -0.193 18411 5797 1 7 . 1 1 129 129 LYS C C 129 172.896 172.896 174.233 -1.337 18411 5798 1 7 . 1 1 129 129 LYS CA C 129 57.322 57.322 55.107 2.215 18411 5799 1 7 . 1 1 129 129 LYS CB C 129 36.802 36.802 34.479 2.323 18411 5800 1 7 . 1 1 129 129 LYS H H 129 7.708 7.708 7.367 0.341 18411 5801 1 7 . 1 1 130 130 LEU N N 130 126.219 126.219 127.983 -1.764 18411 5802 1 7 . 1 1 130 130 LEU HA H 130 5.140 5.140 4.632 0.508 18411 5803 1 7 . 1 1 130 130 LEU C C 130 176.956 176.956 176.548 0.408 18411 5804 1 7 . 1 1 130 130 LEU CA C 130 53.572 53.572 53.594 -0.022 18411 5805 1 7 . 1 1 130 130 LEU CB C 130 44.700 44.700 42.784 1.916 18411 5806 1 7 . 1 1 130 130 LEU H H 130 8.301 8.301 8.585 -0.284 18411 5807 1 7 . 1 1 131 131 THR N N 131 113.484 113.484 115.317 -1.833 18411 5808 1 7 . 1 1 131 131 THR HA H 131 5.136 5.136 4.722 0.414 18411 5809 1 7 . 1 1 131 131 THR C C 131 175.492 175.492 174.052 1.440 18411 5810 1 7 . 1 1 131 131 THR CA C 131 61.033 61.033 59.905 1.128 18411 5811 1 7 . 1 1 131 131 THR CB C 131 70.922 70.922 71.423 -0.501 18411 5812 1 7 . 1 1 131 131 THR H H 131 9.298 9.298 7.924 1.374 18411 5813 1 7 . 1 1 132 132 ARG HA H 132 5.150 5.150 4.692 0.458 18411 5814 1 7 . 1 1 132 132 ARG CA C 132 55.585 55.585 54.680 0.905 18411 5815 1 7 . 1 1 132 132 ARG CB C 132 33.035 33.035 30.143 2.892 18411 5816 1 7 . 1 1 133 133 LEU N N 133 118.967 118.967 121.574 -2.607 18411 5817 1 7 . 1 1 133 133 LEU HA H 133 4.302 4.302 3.953 0.349 18411 5818 1 7 . 1 1 133 133 LEU CA C 133 56.200 56.200 55.692 0.508 18411 5819 1 7 . 1 1 133 133 LEU CB C 133 41.616 41.616 41.334 0.282 18411 5820 1 7 . 1 1 133 133 LEU H H 133 8.167 8.167 8.300 -0.133 18411 5821 1 7 . 1 1 134 134 TYR N N 134 124.816 124.816 122.181 2.635 18411 5822 1 7 . 1 1 134 134 TYR HA H 134 4.963 4.963 4.373 0.590 18411 5823 1 7 . 1 1 134 134 TYR CA C 134 57.154 57.154 58.337 -1.183 18411 5824 1 7 . 1 1 134 134 TYR CB C 134 38.948 38.948 37.543 1.405 18411 5825 1 7 . 1 1 134 134 TYR H H 134 7.805 7.805 8.593 -0.788 18411 5826 1 7 . 1 1 135 135 ASN HA H 135 4.415 4.415 4.745 -0.330 18411 5827 1 7 . 1 1 135 135 ASN CA C 135 51.995 51.995 51.805 0.190 18411 5828 1 7 . 1 1 135 135 ASN CB C 135 40.521 40.521 41.180 -0.659 18411 5829 1 7 . 1 1 136 136 GLU HA H 136 3.694 3.694 3.548 0.146 18411 5830 1 7 . 1 1 136 136 GLU C C 136 178.797 178.797 177.861 0.936 18411 5831 1 7 . 1 1 136 136 GLU CA C 136 61.052 61.052 60.708 0.344 18411 5832 1 7 . 1 1 136 136 GLU CB C 136 29.353 29.353 29.508 -0.155 18411 5833 1 7 . 1 1 137 137 GLU N N 137 120.717 120.717 118.668 2.049 18411 5834 1 7 . 1 1 137 137 GLU HA H 137 4.176 4.176 3.996 0.180 18411 5835 1 7 . 1 1 137 137 GLU C C 137 179.707 179.707 179.100 0.607 18411 5836 1 7 . 1 1 137 137 GLU CA C 137 59.800 59.800 59.920 -0.120 18411 5837 1 7 . 1 1 137 137 GLU CB C 137 29.284 29.284 28.630 0.654 18411 5838 1 7 . 1 1 137 137 GLU H H 137 8.364 8.364 8.691 -0.327 18411 5839 1 7 . 1 1 138 138 GLU N N 138 122.448 122.448 119.317 3.131 18411 5840 1 7 . 1 1 138 138 GLU HA H 138 4.190 4.190 4.119 0.071 18411 5841 1 7 . 1 1 138 138 GLU C C 138 179.927 179.927 178.955 0.972 18411 5842 1 7 . 1 1 138 138 GLU CA C 138 59.129 59.129 59.105 0.024 18411 5843 1 7 . 1 1 138 138 GLU CB C 138 30.064 30.064 29.086 0.978 18411 5844 1 7 . 1 1 138 138 GLU H H 138 8.448 8.448 8.420 0.028 18411 5845 1 7 . 1 1 139 139 PHE N N 139 122.454 122.454 120.600 1.854 18411 5846 1 7 . 1 1 139 139 PHE HA H 139 4.171 4.171 4.128 0.043 18411 5847 1 7 . 1 1 139 139 PHE C C 139 177.370 177.370 176.774 0.596 18411 5848 1 7 . 1 1 139 139 PHE CA C 139 62.690 62.690 61.309 1.381 18411 5849 1 7 . 1 1 139 139 PHE CB C 139 39.579 39.579 38.977 0.602 18411 5850 1 7 . 1 1 139 139 PHE H H 139 8.895 8.895 8.771 0.124 18411 5851 1 7 . 1 1 140 140 ALA N N 140 120.155 120.155 121.745 -1.590 18411 5852 1 7 . 1 1 140 140 ALA HA H 140 4.100 4.100 3.949 0.151 18411 5853 1 7 . 1 1 140 140 ALA C C 140 181.270 181.270 179.516 1.754 18411 5854 1 7 . 1 1 140 140 ALA CA C 140 55.203 55.203 55.570 -0.367 18411 5855 1 7 . 1 1 140 140 ALA CB C 140 17.716 17.716 17.899 -0.183 18411 5856 1 7 . 1 1 140 140 ALA H H 140 8.240 8.240 8.849 -0.609 18411 5857 1 7 . 1 1 141 141 SER N N 141 114.095 114.095 115.069 -0.974 18411 5858 1 7 . 1 1 141 141 SER HA H 141 4.267 4.267 4.192 0.075 18411 5859 1 7 . 1 1 141 141 SER C C 141 176.895 176.895 176.429 0.466 18411 5860 1 7 . 1 1 141 141 SER CA C 141 61.291 61.291 62.167 -0.876 18411 5861 1 7 . 1 1 141 141 SER CB C 141 62.690 62.690 63.067 -0.377 18411 5862 1 7 . 1 1 141 141 SER H H 141 7.835 7.835 8.158 -0.323 18411 5863 1 7 . 1 1 142 142 LEU N N 142 126.764 126.764 123.016 3.748 18411 5864 1 7 . 1 1 142 142 LEU HA H 142 3.908 3.908 4.023 -0.115 18411 5865 1 7 . 1 1 142 142 LEU C C 142 176.876 176.876 177.792 -0.916 18411 5866 1 7 . 1 1 142 142 LEU CA C 142 58.757 58.757 57.991 0.766 18411 5867 1 7 . 1 1 142 142 LEU CB C 142 41.653 41.653 41.543 0.110 18411 5868 1 7 . 1 1 142 142 LEU H H 142 7.833 7.833 7.837 -0.004 18411 5869 1 7 . 1 1 143 143 VAL N N 143 119.066 119.066 118.786 0.280 18411 5870 1 7 . 1 1 143 143 VAL HA H 143 3.174 3.174 3.387 -0.213 18411 5871 1 7 . 1 1 143 143 VAL C C 143 178.479 178.479 178.342 0.137 18411 5872 1 7 . 1 1 143 143 VAL CA C 143 66.864 66.864 66.794 0.070 18411 5873 1 7 . 1 1 143 143 VAL CB C 143 32.350 32.350 30.618 1.732 18411 5874 1 7 . 1 1 143 143 VAL H H 143 8.010 8.010 8.315 -0.305 18411 5875 1 7 . 1 1 144 144 GLN N N 144 118.170 118.170 117.715 0.455 18411 5876 1 7 . 1 1 144 144 GLN HA H 144 4.028 4.028 3.858 0.170 18411 5877 1 7 . 1 1 144 144 GLN C C 144 178.335 178.335 178.440 -0.105 18411 5878 1 7 . 1 1 144 144 GLN CA C 144 59.591 59.591 59.331 0.260 18411 5879 1 7 . 1 1 144 144 GLN CB C 144 32.906 32.906 28.339 4.567 18411 5880 1 7 . 1 1 144 144 GLN H H 144 7.935 7.935 7.872 0.063 18411 5881 1 7 . 1 1 145 145 GLN N N 145 119.839 119.839 120.215 -0.376 18411 5882 1 7 . 1 1 145 145 GLN HA H 145 4.029 4.029 4.006 0.023 18411 5883 1 7 . 1 1 145 145 GLN C C 145 178.686 178.686 178.570 0.116 18411 5884 1 7 . 1 1 145 145 GLN CA C 145 59.270 59.270 59.046 0.224 18411 5885 1 7 . 1 1 145 145 GLN CB C 145 27.587 27.587 28.596 -1.009 18411 5886 1 7 . 1 1 145 145 GLN H H 145 7.986 7.986 8.063 -0.077 18411 5887 1 7 . 1 1 146 146 ILE N N 146 119.900 119.900 120.449 -0.549 18411 5888 1 7 . 1 1 146 146 ILE HA H 146 3.345 3.345 3.557 -0.212 18411 5889 1 7 . 1 1 146 146 ILE C C 146 177.393 177.393 178.011 -0.618 18411 5890 1 7 . 1 1 146 146 ILE CA C 146 66.902 66.902 65.419 1.483 18411 5891 1 7 . 1 1 146 146 ILE CB C 146 38.281 38.281 37.619 0.662 18411 5892 1 7 . 1 1 146 146 ILE H H 146 8.171 8.171 8.538 -0.367 18411 5893 1 7 . 1 1 147 147 ASN N N 147 116.163 116.163 117.770 -1.607 18411 5894 1 7 . 1 1 147 147 ASN HA H 147 4.196 4.196 4.375 -0.179 18411 5895 1 7 . 1 1 147 147 ASN C C 147 179.035 179.035 177.289 1.746 18411 5896 1 7 . 1 1 147 147 ASN CA C 147 56.348 56.348 56.119 0.229 18411 5897 1 7 . 1 1 147 147 ASN CB C 147 38.062 38.062 38.543 -0.481 18411 5898 1 7 . 1 1 147 147 ASN H H 147 7.896 7.896 8.247 -0.351 18411 5899 1 7 . 1 1 148 148 GLU N N 148 118.645 118.645 118.636 0.009 18411 5900 1 7 . 1 1 148 148 GLU HA H 148 3.970 3.970 4.281 -0.311 18411 5901 1 7 . 1 1 148 148 GLU C C 148 179.964 179.964 178.604 1.360 18411 5902 1 7 . 1 1 148 148 GLU CA C 148 59.340 59.340 57.734 1.606 18411 5903 1 7 . 1 1 148 148 GLU CB C 148 29.572 29.572 29.773 -0.201 18411 5904 1 7 . 1 1 148 148 GLU H H 148 8.311 8.311 7.995 0.316 18411 5905 1 7 . 1 1 149 149 MET N N 149 119.218 119.218 118.951 0.267 18411 5906 1 7 . 1 1 149 149 MET HA H 149 4.140 4.140 4.241 -0.101 18411 5907 1 7 . 1 1 149 149 MET C C 149 179.419 179.419 177.810 1.609 18411 5908 1 7 . 1 1 149 149 MET CA C 149 59.040 59.040 57.902 1.138 18411 5909 1 7 . 1 1 149 149 MET CB C 149 35.293 35.293 32.342 2.951 18411 5910 1 7 . 1 1 149 149 MET H H 149 8.527 8.527 8.034 0.493 18411 5911 1 7 . 1 1 150 150 LEU N N 150 118.078 118.078 114.512 3.566 18411 5912 1 7 . 1 1 150 150 LEU HA H 150 4.245 4.245 4.259 -0.014 18411 5913 1 7 . 1 1 150 150 LEU C C 150 178.141 178.141 178.770 -0.629 18411 5914 1 7 . 1 1 150 150 LEU CA C 150 55.824 55.824 55.730 0.094 18411 5915 1 7 . 1 1 150 150 LEU CB C 150 41.533 41.533 41.189 0.344 18411 5916 1 7 . 1 1 150 150 LEU H H 150 7.917 7.917 7.565 0.352 18411 5917 1 7 . 1 1 151 151 LYS N N 151 120.096 120.096 118.041 2.055 18411 5918 1 7 . 1 1 151 151 LYS HA H 151 4.181 4.181 4.340 -0.159 18411 5919 1 7 . 1 1 151 151 LYS C C 151 177.029 177.029 177.104 -0.075 18411 5920 1 7 . 1 1 151 151 LYS CA C 151 57.490 57.490 56.440 1.050 18411 5921 1 7 . 1 1 151 151 LYS CB C 151 32.921 32.921 33.653 -0.732 18411 5922 1 7 . 1 1 151 151 LYS H H 151 7.466 7.466 7.667 -0.201 18411 5923 1 7 . 1 1 152 152 GLU N N 152 120.188 120.188 121.067 -0.879 18411 5924 1 7 . 1 1 152 152 GLU HA H 152 4.264 4.264 4.279 -0.015 18411 5925 1 7 . 1 1 152 152 GLU C C 152 177.259 177.259 176.560 0.699 18411 5926 1 7 . 1 1 152 152 GLU CA C 152 57.070 57.070 56.765 0.305 18411 5927 1 7 . 1 1 152 152 GLU CB C 152 30.385 30.385 30.260 0.125 18411 5928 1 7 . 1 1 152 152 GLU H H 152 7.820 7.820 7.995 -0.175 18411 5929 1 7 . 1 1 153 153 GLY N N 153 109.046 109.046 110.347 -1.301 18411 5930 1 7 . 1 1 153 153 GLY C C 153 174.204 174.204 173.383 0.821 18411 5931 1 7 . 1 1 153 153 GLY CA C 153 45.327 45.327 44.847 0.480 18411 5932 1 7 . 1 1 153 153 GLY H H 153 8.278 8.278 8.395 -0.117 18411 5933 1 7 . 1 1 158 158 HIS HA H 158 4.606 4.606 4.423 0.183 18411 5934 1 7 . 1 1 158 158 HIS C C 158 174.423 174.423 174.947 -0.524 18411 5935 1 7 . 1 1 158 158 HIS CA C 158 56.235 56.235 57.060 -0.825 18411 5936 1 7 . 1 1 158 158 HIS CB C 158 31.028 31.028 30.141 0.887 18411 5937 1 8 . 1 1 3 3 LEU HA H 3 3.930 3.930 3.982 -0.052 18411 5938 1 8 . 1 1 3 3 LEU CA C 3 58.669 58.669 56.861 1.808 18411 5939 1 8 . 1 1 3 3 LEU CB C 3 42.010 42.010 41.383 0.627 18411 5940 1 8 . 1 1 4 4 GLY C C 4 173.604 173.604 173.214 0.390 18411 5941 1 8 . 1 1 4 4 GLY CA C 4 46.072 46.072 45.085 0.987 18411 5942 1 8 . 1 1 5 5 TYR N N 5 116.195 116.195 121.138 -4.943 18411 5943 1 8 . 1 1 5 5 TYR HA H 5 4.769 4.769 4.679 0.090 18411 5944 1 8 . 1 1 5 5 TYR C C 5 177.898 177.898 176.449 1.449 18411 5945 1 8 . 1 1 5 5 TYR CA C 5 60.102 60.102 59.013 1.089 18411 5946 1 8 . 1 1 5 5 TYR CB C 5 39.615 39.615 39.110 0.505 18411 5947 1 8 . 1 1 5 5 TYR H H 5 7.849 7.849 8.269 -0.420 18411 5948 1 8 . 1 1 6 6 ILE N N 6 115.338 115.338 119.757 -4.419 18411 5949 1 8 . 1 1 6 6 ILE HA H 6 4.514 4.514 4.275 0.239 18411 5950 1 8 . 1 1 6 6 ILE C C 6 175.977 175.977 175.978 -0.001 18411 5951 1 8 . 1 1 6 6 ILE CA C 6 61.623 61.623 62.355 -0.732 18411 5952 1 8 . 1 1 6 6 ILE CB C 6 38.270 38.270 38.374 -0.104 18411 5953 1 8 . 1 1 6 6 ILE H H 6 8.687 8.687 8.390 0.297 18411 5954 1 8 . 1 1 7 7 VAL N N 7 113.122 113.122 118.429 -5.307 18411 5955 1 8 . 1 1 7 7 VAL HA H 7 4.730 4.730 4.278 0.452 18411 5956 1 8 . 1 1 7 7 VAL C C 7 174.331 174.331 174.181 0.150 18411 5957 1 8 . 1 1 7 7 VAL CA C 7 58.867 58.867 60.822 -1.955 18411 5958 1 8 . 1 1 7 7 VAL CB C 7 34.475 34.475 33.322 1.153 18411 5959 1 8 . 1 1 7 7 VAL H H 7 6.845 6.845 7.541 -0.696 18411 5960 1 8 . 1 1 8 8 ARG N N 8 117.597 117.597 114.759 2.838 18411 5961 1 8 . 1 1 8 8 ARG HA H 8 4.539 4.539 4.587 -0.048 18411 5962 1 8 . 1 1 8 8 ARG C C 8 175.618 175.618 175.806 -0.188 18411 5963 1 8 . 1 1 8 8 ARG CA C 8 53.717 53.717 53.625 0.092 18411 5964 1 8 . 1 1 8 8 ARG CB C 8 34.126 34.126 32.060 2.066 18411 5965 1 8 . 1 1 8 8 ARG H H 8 7.978 7.978 8.010 -0.032 18411 5966 1 8 . 1 1 9 9 ILE N N 9 118.377 118.377 121.918 -3.541 18411 5967 1 8 . 1 1 9 9 ILE HA H 9 3.465 3.465 4.017 -0.552 18411 5968 1 8 . 1 1 9 9 ILE C C 9 177.771 177.771 177.455 0.316 18411 5969 1 8 . 1 1 9 9 ILE CA C 9 62.350 62.350 62.898 -0.548 18411 5970 1 8 . 1 1 9 9 ILE CB C 9 37.049 37.049 37.345 -0.296 18411 5971 1 8 . 1 1 9 9 ILE H H 9 8.085 8.085 7.914 0.171 18411 5972 1 8 . 1 1 10 10 GLY N N 10 115.204 115.204 115.273 -0.069 18411 5973 1 8 . 1 1 10 10 GLY C C 10 174.235 174.235 174.039 0.196 18411 5974 1 8 . 1 1 10 10 GLY CA C 10 44.763 44.763 44.678 0.085 18411 5975 1 8 . 1 1 10 10 GLY H H 10 9.149 9.149 9.276 -0.127 18411 5976 1 8 . 1 1 11 11 GLU N N 11 119.157 119.157 120.933 -1.776 18411 5977 1 8 . 1 1 11 11 GLU HA H 11 4.392 4.392 4.489 -0.097 18411 5978 1 8 . 1 1 11 11 GLU C C 11 176.729 176.729 175.967 0.762 18411 5979 1 8 . 1 1 11 11 GLU CA C 11 55.108 55.108 54.341 0.767 18411 5980 1 8 . 1 1 11 11 GLU CB C 11 31.473 31.473 30.898 0.574 18411 5981 1 8 . 1 1 11 11 GLU H H 11 7.631 7.631 7.755 -0.124 18411 5982 1 8 . 1 1 12 12 MET N N 12 119.646 119.646 123.507 -3.861 18411 5983 1 8 . 1 1 12 12 MET HA H 12 4.593 4.593 4.448 0.145 18411 5984 1 8 . 1 1 12 12 MET C C 12 177.162 177.162 176.268 0.894 18411 5985 1 8 . 1 1 12 12 MET CA C 12 54.475 54.475 55.333 -0.858 18411 5986 1 8 . 1 1 12 12 MET CB C 12 30.749 30.749 31.602 -0.853 18411 5987 1 8 . 1 1 12 12 MET H H 12 8.566 8.566 8.636 -0.070 18411 5988 1 8 . 1 1 13 13 ALA N N 13 129.735 129.735 129.863 -0.128 18411 5989 1 8 . 1 1 13 13 ALA HA H 13 4.293 4.293 4.356 -0.063 18411 5990 1 8 . 1 1 13 13 ALA C C 13 175.992 175.992 175.651 0.341 18411 5991 1 8 . 1 1 13 13 ALA CA C 13 50.676 50.676 50.539 0.137 18411 5992 1 8 . 1 1 13 13 ALA CB C 13 18.125 18.125 18.580 -0.455 18411 5993 1 8 . 1 1 13 13 ALA H H 13 8.626 8.626 8.812 -0.186 18411 5994 1 8 . 1 1 14 14 PRO HA H 14 4.253 4.253 4.292 -0.039 18411 5995 1 8 . 1 1 14 14 PRO C C 14 176.066 176.066 175.633 0.433 18411 5996 1 8 . 1 1 14 14 PRO CA C 14 63.478 63.478 62.945 0.533 18411 5997 1 8 . 1 1 14 14 PRO CB C 14 32.987 32.987 31.638 1.349 18411 5998 1 8 . 1 1 15 15 ASP N N 15 123.075 123.075 121.968 1.107 18411 5999 1 8 . 1 1 15 15 ASP HA H 15 4.700 4.700 4.434 0.266 18411 6000 1 8 . 1 1 15 15 ASP C C 15 176.067 176.067 175.381 0.686 18411 6001 1 8 . 1 1 15 15 ASP CA C 15 53.628 53.628 54.763 -1.135 18411 6002 1 8 . 1 1 15 15 ASP CB C 15 41.613 41.613 41.755 -0.142 18411 6003 1 8 . 1 1 15 15 ASP H H 15 8.373 8.373 8.356 0.017 18411 6004 1 8 . 1 1 16 16 PHE N N 16 114.256 114.256 118.971 -4.715 18411 6005 1 8 . 1 1 16 16 PHE HA H 16 4.869 4.869 4.910 -0.041 18411 6006 1 8 . 1 1 16 16 PHE C C 16 173.028 173.028 173.822 -0.794 18411 6007 1 8 . 1 1 16 16 PHE CA C 16 56.721 56.721 56.023 0.698 18411 6008 1 8 . 1 1 16 16 PHE CB C 16 40.560 40.560 41.529 -0.969 18411 6009 1 8 . 1 1 16 16 PHE H H 16 7.950 7.950 7.414 0.536 18411 6010 1 8 . 1 1 17 17 THR N N 17 116.459 116.459 117.507 -1.048 18411 6011 1 8 . 1 1 17 17 THR HA H 17 5.244 5.244 5.041 0.203 18411 6012 1 8 . 1 1 17 17 THR C C 17 172.722 172.722 174.183 -1.461 18411 6013 1 8 . 1 1 17 17 THR CA C 17 62.061 62.061 61.998 0.063 18411 6014 1 8 . 1 1 17 17 THR CB C 17 70.882 70.882 68.935 1.947 18411 6015 1 8 . 1 1 17 17 THR H H 17 8.596 8.596 8.682 -0.086 18411 6016 1 8 . 1 1 18 18 ILE N N 18 128.165 128.165 127.392 0.773 18411 6017 1 8 . 1 1 18 18 ILE HA H 18 4.995 4.995 4.561 0.434 18411 6018 1 8 . 1 1 18 18 ILE C C 18 172.309 172.309 174.100 -1.791 18411 6019 1 8 . 1 1 18 18 ILE CA C 18 59.123 59.123 59.559 -0.435 18411 6020 1 8 . 1 1 18 18 ILE CB C 18 43.984 43.984 41.387 2.597 18411 6021 1 8 . 1 1 18 18 ILE H H 18 9.574 9.574 8.824 0.750 18411 6022 1 8 . 1 1 19 19 THR N N 19 124.473 124.473 123.554 0.919 18411 6023 1 8 . 1 1 19 19 THR HA H 19 4.821 4.821 4.956 -0.135 18411 6024 1 8 . 1 1 19 19 THR C C 19 174.104 174.104 174.264 -0.160 18411 6025 1 8 . 1 1 19 19 THR CA C 19 62.316 62.316 62.023 0.293 18411 6026 1 8 . 1 1 19 19 THR CB C 19 69.287 69.287 69.561 -0.274 18411 6027 1 8 . 1 1 19 19 THR H H 19 9.081 9.081 8.625 0.456 18411 6028 1 8 . 1 1 20 20 LEU N N 20 125.167 125.167 126.348 -1.181 18411 6029 1 8 . 1 1 20 20 LEU HA H 20 5.082 5.082 4.789 0.293 18411 6030 1 8 . 1 1 20 20 LEU C C 20 181.023 181.023 179.488 1.535 18411 6031 1 8 . 1 1 20 20 LEU CA C 20 54.191 54.191 54.022 0.170 18411 6032 1 8 . 1 1 20 20 LEU CB C 20 42.219 42.219 42.965 -0.746 18411 6033 1 8 . 1 1 20 20 LEU H H 20 9.227 9.227 8.988 0.239 18411 6034 1 8 . 1 1 21 21 THR N N 21 109.887 109.887 113.309 -3.422 18411 6035 1 8 . 1 1 21 21 THR HA H 21 3.831 3.831 4.040 -0.209 18411 6036 1 8 . 1 1 21 21 THR C C 21 174.716 174.716 175.089 -0.373 18411 6037 1 8 . 1 1 21 21 THR CA C 21 64.992 64.992 65.413 -0.421 18411 6038 1 8 . 1 1 21 21 THR CB C 21 68.529 68.529 68.581 -0.052 18411 6039 1 8 . 1 1 21 21 THR H H 21 8.603 8.603 8.537 0.066 18411 6040 1 8 . 1 1 22 22 ASP N N 22 117.311 117.311 118.357 -1.046 18411 6041 1 8 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.594 0.000 18411 6042 1 8 . 1 1 22 22 ASP C C 22 177.771 177.771 176.954 0.817 18411 6043 1 8 . 1 1 22 22 ASP CA C 22 53.173 53.173 53.798 -0.625 18411 6044 1 8 . 1 1 22 22 ASP CB C 22 40.449 40.449 40.165 0.284 18411 6045 1 8 . 1 1 22 22 ASP H H 22 7.530 7.530 7.946 -0.416 18411 6046 1 8 . 1 1 23 23 GLY N N 23 108.847 108.847 108.497 0.350 18411 6047 1 8 . 1 1 23 23 GLY C C 23 174.806 174.806 173.986 0.820 18411 6048 1 8 . 1 1 23 23 GLY CA C 23 45.028 45.028 44.792 0.236 18411 6049 1 8 . 1 1 23 23 GLY H H 23 8.203 8.203 7.960 0.243 18411 6050 1 8 . 1 1 24 24 LYS N N 24 122.092 122.092 122.964 -0.872 18411 6051 1 8 . 1 1 24 24 LYS HA H 24 4.267 4.267 4.162 0.105 18411 6052 1 8 . 1 1 24 24 LYS C C 24 175.350 175.350 176.234 -0.884 18411 6053 1 8 . 1 1 24 24 LYS CA C 24 57.060 57.060 56.405 0.655 18411 6054 1 8 . 1 1 24 24 LYS CB C 24 33.271 33.271 31.531 1.740 18411 6055 1 8 . 1 1 24 24 LYS H H 24 7.881 7.881 7.858 0.023 18411 6056 1 8 . 1 1 25 25 GLN N N 25 119.585 119.585 125.062 -5.477 18411 6057 1 8 . 1 1 25 25 GLN HA H 25 5.561 5.561 5.003 0.558 18411 6058 1 8 . 1 1 25 25 GLN C C 25 176.631 176.631 175.275 1.356 18411 6059 1 8 . 1 1 25 25 GLN CA C 25 54.572 54.572 55.575 -1.002 18411 6060 1 8 . 1 1 25 25 GLN CB C 25 31.621 31.621 29.502 2.119 18411 6061 1 8 . 1 1 25 25 GLN H H 25 8.365 8.365 8.563 -0.198 18411 6062 1 8 . 1 1 26 26 VAL N N 26 123.115 123.115 126.372 -3.257 18411 6063 1 8 . 1 1 26 26 VAL HA H 26 4.466 4.466 4.536 -0.070 18411 6064 1 8 . 1 1 26 26 VAL C C 26 174.390 174.390 173.927 0.463 18411 6065 1 8 . 1 1 26 26 VAL CA C 26 61.142 61.142 59.561 1.581 18411 6066 1 8 . 1 1 26 26 VAL CB C 26 35.962 35.962 35.511 0.452 18411 6067 1 8 . 1 1 26 26 VAL H H 26 9.069 9.069 9.174 -0.105 18411 6068 1 8 . 1 1 27 27 THR N N 27 122.509 122.509 123.606 -1.097 18411 6069 1 8 . 1 1 27 27 THR HA H 27 5.437 5.437 4.949 0.488 18411 6070 1 8 . 1 1 27 27 THR C C 27 176.330 176.330 175.910 0.420 18411 6071 1 8 . 1 1 27 27 THR CA C 27 60.068 60.068 61.346 -1.278 18411 6072 1 8 . 1 1 27 27 THR CB C 27 70.655 70.655 69.857 0.798 18411 6073 1 8 . 1 1 27 27 THR H H 27 8.256 8.256 8.722 -0.466 18411 6074 1 8 . 1 1 28 28 LEU N N 28 131.816 131.816 125.821 5.995 18411 6075 1 8 . 1 1 28 28 LEU HA H 28 3.607 3.607 3.747 -0.140 18411 6076 1 8 . 1 1 28 28 LEU C C 28 180.093 180.093 178.240 1.853 18411 6077 1 8 . 1 1 28 28 LEU CA C 28 59.264 59.264 57.398 1.866 18411 6078 1 8 . 1 1 28 28 LEU CB C 28 39.396 39.396 41.543 -2.147 18411 6079 1 8 . 1 1 28 28 LEU H H 28 8.311 8.311 8.540 -0.229 18411 6080 1 8 . 1 1 29 29 SER N N 29 114.727 114.727 114.831 -0.104 18411 6081 1 8 . 1 1 29 29 SER HA H 29 4.003 4.003 4.203 -0.200 18411 6082 1 8 . 1 1 29 29 SER C C 29 177.762 177.762 175.969 1.793 18411 6083 1 8 . 1 1 29 29 SER CA C 29 60.896 60.896 60.877 0.019 18411 6084 1 8 . 1 1 29 29 SER CB C 29 61.091 61.091 62.532 -1.441 18411 6085 1 8 . 1 1 29 29 SER H H 29 9.491 9.491 8.158 1.333 18411 6086 1 8 . 1 1 30 30 SER N N 30 119.100 119.100 116.655 2.445 18411 6087 1 8 . 1 1 30 30 SER HA H 30 4.476 4.476 4.398 0.078 18411 6088 1 8 . 1 1 30 30 SER C C 30 175.104 175.104 175.243 -0.139 18411 6089 1 8 . 1 1 30 30 SER CA C 30 60.661 60.661 60.834 -0.173 18411 6090 1 8 . 1 1 30 30 SER CB C 30 63.174 63.174 63.481 -0.307 18411 6091 1 8 . 1 1 30 30 SER H H 30 7.878 7.878 7.808 0.070 18411 6092 1 8 . 1 1 31 31 LEU N N 31 121.415 121.415 120.632 0.783 18411 6093 1 8 . 1 1 31 31 LEU HA H 31 4.258 4.258 4.288 -0.030 18411 6094 1 8 . 1 1 31 31 LEU C C 31 175.710 175.710 176.651 -0.941 18411 6095 1 8 . 1 1 31 31 LEU CA C 31 53.804 53.804 54.732 -0.928 18411 6096 1 8 . 1 1 31 31 LEU CB C 31 41.285 41.285 41.849 -0.564 18411 6097 1 8 . 1 1 31 31 LEU H H 31 8.026 8.026 7.587 0.439 18411 6098 1 8 . 1 1 32 32 ARG N N 32 119.061 119.061 118.670 0.391 18411 6099 1 8 . 1 1 32 32 ARG HA H 32 4.411 4.411 3.975 0.436 18411 6100 1 8 . 1 1 32 32 ARG C C 32 177.585 177.585 177.571 0.014 18411 6101 1 8 . 1 1 32 32 ARG CA C 32 57.590 57.590 57.358 0.232 18411 6102 1 8 . 1 1 32 32 ARG CB C 32 29.497 29.497 29.954 -0.457 18411 6103 1 8 . 1 1 32 32 ARG H H 32 6.788 6.788 7.296 -0.508 18411 6104 1 8 . 1 1 33 33 GLY N N 33 114.033 114.033 110.518 3.515 18411 6105 1 8 . 1 1 33 33 GLY C C 33 173.456 173.456 173.742 -0.286 18411 6106 1 8 . 1 1 33 33 GLY CA C 33 44.684 44.684 45.625 -0.941 18411 6107 1 8 . 1 1 33 33 GLY H H 33 9.120 9.120 8.956 0.164 18411 6108 1 8 . 1 1 34 34 LYS N N 34 120.270 120.270 118.930 1.340 18411 6109 1 8 . 1 1 34 34 LYS HA H 34 4.606 4.606 5.514 -0.908 18411 6110 1 8 . 1 1 34 34 LYS C C 34 175.350 175.350 176.662 -1.312 18411 6111 1 8 . 1 1 34 34 LYS CA C 34 54.786 54.786 53.849 0.937 18411 6112 1 8 . 1 1 34 34 LYS CB C 34 34.125 34.125 36.246 -2.122 18411 6113 1 8 . 1 1 34 34 LYS H H 34 8.146 8.146 7.398 0.748 18411 6114 1 8 . 1 1 35 35 VAL N N 35 122.059 122.059 118.690 3.369 18411 6115 1 8 . 1 1 35 35 VAL HA H 35 4.020 4.020 4.363 -0.343 18411 6116 1 8 . 1 1 35 35 VAL C C 35 174.699 174.699 174.576 0.123 18411 6117 1 8 . 1 1 35 35 VAL CA C 35 63.108 63.108 62.286 0.822 18411 6118 1 8 . 1 1 35 35 VAL CB C 35 33.022 33.022 31.669 1.353 18411 6119 1 8 . 1 1 35 35 VAL H H 35 8.757 8.757 8.784 -0.027 18411 6120 1 8 . 1 1 36 36 VAL N N 36 125.815 125.815 127.075 -1.260 18411 6121 1 8 . 1 1 36 36 VAL HA H 36 4.856 4.856 4.826 0.030 18411 6122 1 8 . 1 1 36 36 VAL C C 36 174.622 174.622 174.413 0.209 18411 6123 1 8 . 1 1 36 36 VAL CA C 36 60.078 60.078 60.406 -0.328 18411 6124 1 8 . 1 1 36 36 VAL CB C 36 35.605 35.605 33.574 2.031 18411 6125 1 8 . 1 1 36 36 VAL H H 36 8.485 8.485 8.795 -0.310 18411 6126 1 8 . 1 1 37 37 MET N N 37 126.478 126.478 128.306 -1.828 18411 6127 1 8 . 1 1 37 37 MET HA H 37 5.383 5.383 5.140 0.243 18411 6128 1 8 . 1 1 37 37 MET C C 37 173.473 173.473 173.553 -0.080 18411 6129 1 8 . 1 1 37 37 MET CA C 37 53.661 53.661 53.985 -0.324 18411 6130 1 8 . 1 1 37 37 MET CB C 37 35.948 35.948 35.579 0.369 18411 6131 1 8 . 1 1 37 37 MET H H 37 8.694 8.694 8.992 -0.298 18411 6132 1 8 . 1 1 38 38 LEU N N 38 124.275 124.275 127.924 -3.649 18411 6133 1 8 . 1 1 38 38 LEU HA H 38 5.100 5.100 5.114 -0.014 18411 6134 1 8 . 1 1 38 38 LEU C C 38 175.828 175.828 175.428 0.400 18411 6135 1 8 . 1 1 38 38 LEU CA C 38 52.144 52.144 51.892 0.252 18411 6136 1 8 . 1 1 38 38 LEU CB C 38 42.898 42.898 41.469 1.429 18411 6137 1 8 . 1 1 38 38 LEU H H 38 9.181 9.181 9.272 -0.091 18411 6138 1 8 . 1 1 39 39 GLN N N 39 124.390 124.390 121.654 2.736 18411 6139 1 8 . 1 1 39 39 GLN HA H 39 5.369 5.369 5.006 0.363 18411 6140 1 8 . 1 1 39 39 GLN C C 39 175.696 175.696 174.840 0.856 18411 6141 1 8 . 1 1 39 39 GLN CA C 39 54.025 54.025 53.454 0.571 18411 6142 1 8 . 1 1 39 39 GLN CB C 39 28.735 28.735 30.524 -1.789 18411 6143 1 8 . 1 1 39 39 GLN H H 39 8.325 8.325 8.098 0.227 18411 6144 1 8 . 1 1 40 40 PHE N N 40 128.800 128.800 125.584 3.216 18411 6145 1 8 . 1 1 40 40 PHE HA H 40 5.182 5.182 5.541 -0.359 18411 6146 1 8 . 1 1 40 40 PHE C C 40 175.432 175.432 176.288 -0.856 18411 6147 1 8 . 1 1 40 40 PHE CA C 40 59.370 59.370 57.411 1.959 18411 6148 1 8 . 1 1 40 40 PHE CB C 40 39.256 39.256 40.129 -0.873 18411 6149 1 8 . 1 1 40 40 PHE H H 40 8.899 8.899 8.777 0.122 18411 6150 1 8 . 1 1 41 41 THR N N 41 117.616 117.616 115.773 1.843 18411 6151 1 8 . 1 1 41 41 THR HA H 41 5.274 5.274 4.789 0.485 18411 6152 1 8 . 1 1 41 41 THR C C 41 170.795 170.795 172.411 -1.616 18411 6153 1 8 . 1 1 41 41 THR CA C 41 59.448 59.448 58.967 0.481 18411 6154 1 8 . 1 1 41 41 THR CB C 41 70.892 70.892 70.971 -0.078 18411 6155 1 8 . 1 1 41 41 THR H H 41 8.589 8.589 8.867 -0.278 18411 6156 1 8 . 1 1 42 42 ALA N N 42 122.005 122.005 123.283 -1.278 18411 6157 1 8 . 1 1 42 42 ALA HA H 42 4.162 4.162 4.634 -0.472 18411 6158 1 8 . 1 1 42 42 ALA C C 42 177.618 177.618 176.657 0.961 18411 6159 1 8 . 1 1 42 42 ALA CA C 42 52.454 52.454 50.696 1.758 18411 6160 1 8 . 1 1 42 42 ALA CB C 42 20.704 20.704 20.736 -0.032 18411 6161 1 8 . 1 1 42 42 ALA H H 42 7.201 7.201 7.794 -0.593 18411 6162 1 8 . 1 1 43 43 SER N N 43 117.426 117.426 119.542 -2.116 18411 6163 1 8 . 1 1 43 43 SER HA H 43 1.542 1.542 3.114 -1.572 18411 6164 1 8 . 1 1 43 43 SER C C 43 174.845 174.845 174.559 0.286 18411 6165 1 8 . 1 1 43 43 SER CA C 43 60.202 60.202 60.663 -0.462 18411 6166 1 8 . 1 1 43 43 SER CB C 43 63.040 63.040 63.260 -0.220 18411 6167 1 8 . 1 1 43 43 SER H H 43 9.472 9.472 8.406 1.066 18411 6168 1 8 . 1 1 44 44 TRP N N 44 116.512 116.512 116.504 0.008 18411 6169 1 8 . 1 1 44 44 TRP HA H 44 4.495 4.495 4.580 -0.085 18411 6170 1 8 . 1 1 44 44 TRP C C 44 176.297 176.297 175.112 1.185 18411 6171 1 8 . 1 1 44 44 TRP CA C 44 53.405 53.405 54.904 -1.499 18411 6172 1 8 . 1 1 44 44 TRP CB C 44 29.450 29.450 28.123 1.327 18411 6173 1 8 . 1 1 44 44 TRP H H 44 6.345 6.345 7.089 -0.744 18411 6174 1 8 . 1 1 45 45 CYS N N 45 125.015 125.015 121.366 3.649 18411 6175 1 8 . 1 1 45 45 CYS HA H 45 4.501 4.501 4.590 -0.089 18411 6176 1 8 . 1 1 45 45 CYS C C 45 176.409 176.409 175.791 0.618 18411 6177 1 8 . 1 1 45 45 CYS CA C 45 58.904 58.904 57.707 1.197 18411 6178 1 8 . 1 1 45 45 CYS CB C 45 28.203 28.203 29.021 -0.819 18411 6179 1 8 . 1 1 45 45 CYS H H 45 6.982 6.982 7.373 -0.391 18411 6180 1 8 . 1 1 46 46 GLY CA C 46 47.225 47.225 46.173 1.052 18411 6181 1 8 . 1 1 47 47 VAL HA H 47 3.804 3.804 3.828 -0.024 18411 6182 1 8 . 1 1 47 47 VAL CA C 47 66.661 66.661 65.196 1.465 18411 6183 1 8 . 1 1 47 47 VAL CB C 47 31.506 31.506 31.855 -0.349 18411 6184 1 8 . 1 1 48 48 CYS HA H 48 3.875 3.875 4.172 -0.297 18411 6185 1 8 . 1 1 48 48 CYS C C 48 177.961 177.961 175.994 1.967 18411 6186 1 8 . 1 1 48 48 CYS CA C 48 65.053 65.053 63.316 1.737 18411 6187 1 8 . 1 1 48 48 CYS CB C 48 28.741 28.741 26.784 1.957 18411 6188 1 8 . 1 1 49 49 ARG N N 49 115.039 115.039 118.191 -3.152 18411 6189 1 8 . 1 1 49 49 ARG HA H 49 3.898 3.898 4.058 -0.160 18411 6190 1 8 . 1 1 49 49 ARG C C 49 177.871 177.871 176.543 1.328 18411 6191 1 8 . 1 1 49 49 ARG CA C 49 59.837 59.837 58.266 1.571 18411 6192 1 8 . 1 1 49 49 ARG CB C 49 30.585 30.585 29.613 0.971 18411 6193 1 8 . 1 1 49 49 ARG H H 49 7.658 7.658 7.849 -0.191 18411 6194 1 8 . 1 1 50 50 LYS N N 50 117.909 117.909 117.515 0.394 18411 6195 1 8 . 1 1 50 50 LYS HA H 50 4.098 4.098 4.120 -0.022 18411 6196 1 8 . 1 1 50 50 LYS C C 50 177.723 177.723 178.010 -0.287 18411 6197 1 8 . 1 1 50 50 LYS CA C 50 58.198 58.198 58.906 -0.708 18411 6198 1 8 . 1 1 50 50 LYS CB C 50 32.803 32.803 33.066 -0.263 18411 6199 1 8 . 1 1 50 50 LYS H H 50 7.385 7.385 7.567 -0.182 18411 6200 1 8 . 1 1 51 51 GLU N N 51 117.196 117.196 118.957 -1.761 18411 6201 1 8 . 1 1 51 51 GLU HA H 51 3.453 3.453 3.232 0.221 18411 6202 1 8 . 1 1 51 51 GLU C C 51 179.194 179.194 178.810 0.384 18411 6203 1 8 . 1 1 51 51 GLU CA C 51 57.754 57.754 58.656 -0.901 18411 6204 1 8 . 1 1 51 51 GLU CB C 51 29.825 29.825 28.609 1.216 18411 6205 1 8 . 1 1 51 51 GLU H H 51 7.764 7.764 7.344 0.420 18411 6206 1 8 . 1 1 52 52 MET N N 52 118.785 118.785 120.045 -1.260 18411 6207 1 8 . 1 1 52 52 MET HA H 52 3.979 3.979 4.530 -0.551 18411 6208 1 8 . 1 1 52 52 MET C C 52 174.346 174.346 176.172 -1.826 18411 6209 1 8 . 1 1 52 52 MET CA C 52 62.384 62.384 59.658 2.726 18411 6210 1 8 . 1 1 52 52 MET CB C 52 32.805 32.805 29.756 3.049 18411 6211 1 8 . 1 1 52 52 MET H H 52 8.100 8.100 8.584 -0.484 18411 6212 1 8 . 1 1 53 53 PRO HA H 53 4.299 4.299 4.399 -0.100 18411 6213 1 8 . 1 1 53 53 PRO C C 53 179.242 179.242 179.448 -0.206 18411 6214 1 8 . 1 1 53 53 PRO CA C 53 65.708 65.708 65.461 0.247 18411 6215 1 8 . 1 1 53 53 PRO CB C 53 31.570 31.570 31.288 0.282 18411 6216 1 8 . 1 1 54 54 PHE N N 54 116.067 116.067 119.068 -3.001 18411 6217 1 8 . 1 1 54 54 PHE HA H 54 4.372 4.372 4.103 0.269 18411 6218 1 8 . 1 1 54 54 PHE C C 54 178.283 178.283 177.852 0.431 18411 6219 1 8 . 1 1 54 54 PHE CA C 54 61.249 61.249 62.620 -1.371 18411 6220 1 8 . 1 1 54 54 PHE CB C 54 38.366 38.366 38.396 -0.030 18411 6221 1 8 . 1 1 54 54 PHE H H 54 7.251 7.251 7.534 -0.283 18411 6222 1 8 . 1 1 55 55 ILE N N 55 122.051 122.051 119.645 2.406 18411 6223 1 8 . 1 1 55 55 ILE HA H 55 3.746 3.746 3.978 -0.232 18411 6224 1 8 . 1 1 55 55 ILE C C 55 179.005 179.005 178.091 0.914 18411 6225 1 8 . 1 1 55 55 ILE CA C 55 66.678 66.678 66.152 0.526 18411 6226 1 8 . 1 1 55 55 ILE CB C 55 37.449 37.449 37.859 -0.410 18411 6227 1 8 . 1 1 55 55 ILE H H 55 7.935 7.935 8.962 -1.027 18411 6228 1 8 . 1 1 56 56 GLU N N 56 120.941 120.941 120.110 0.831 18411 6229 1 8 . 1 1 56 56 GLU HA H 56 4.578 4.578 4.228 0.350 18411 6230 1 8 . 1 1 56 56 GLU C C 56 177.034 177.034 178.540 -1.506 18411 6231 1 8 . 1 1 56 56 GLU CA C 56 59.607 59.607 60.308 -0.701 18411 6232 1 8 . 1 1 56 56 GLU CB C 56 29.640 29.640 29.610 0.030 18411 6233 1 8 . 1 1 56 56 GLU H H 56 8.657 8.657 8.092 0.565 18411 6234 1 8 . 1 1 57 57 LYS N N 57 114.712 114.712 119.159 -4.447 18411 6235 1 8 . 1 1 57 57 LYS HA H 57 4.165 4.165 4.030 0.135 18411 6236 1 8 . 1 1 57 57 LYS C C 57 177.831 177.831 179.466 -1.635 18411 6237 1 8 . 1 1 57 57 LYS CA C 57 59.905 59.905 59.529 0.376 18411 6238 1 8 . 1 1 57 57 LYS CB C 57 33.873 33.873 32.570 1.303 18411 6239 1 8 . 1 1 57 57 LYS H H 57 7.719 7.719 7.988 -0.269 18411 6240 1 8 . 1 1 58 58 ASP N N 58 114.953 114.953 116.002 -1.049 18411 6241 1 8 . 1 1 58 58 ASP HA H 58 4.843 4.843 4.805 0.038 18411 6242 1 8 . 1 1 58 58 ASP C C 58 176.515 176.515 177.116 -0.601 18411 6243 1 8 . 1 1 58 58 ASP CA C 58 56.125 56.125 55.207 0.918 18411 6244 1 8 . 1 1 58 58 ASP CB C 58 42.087 42.087 42.314 -0.227 18411 6245 1 8 . 1 1 58 58 ASP H H 58 8.783 8.783 8.422 0.361 18411 6246 1 8 . 1 1 59 59 ILE N N 59 115.807 115.807 118.954 -3.147 18411 6247 1 8 . 1 1 59 59 ILE HA H 59 4.268 4.268 4.330 -0.062 18411 6248 1 8 . 1 1 59 59 ILE C C 59 176.369 176.369 176.685 -0.316 18411 6249 1 8 . 1 1 59 59 ILE CA C 59 63.757 63.757 61.050 2.707 18411 6250 1 8 . 1 1 59 59 ILE CB C 59 40.396 40.396 38.996 1.400 18411 6251 1 8 . 1 1 59 59 ILE H H 59 7.455 7.455 8.164 -0.709 18411 6252 1 8 . 1 1 60 60 TRP N N 60 120.937 120.937 122.445 -1.508 18411 6253 1 8 . 1 1 60 60 TRP HA H 60 4.727 4.727 4.405 0.322 18411 6254 1 8 . 1 1 60 60 TRP C C 60 177.428 177.428 178.104 -0.676 18411 6255 1 8 . 1 1 60 60 TRP CA C 60 60.644 60.644 60.376 0.268 18411 6256 1 8 . 1 1 60 60 TRP CB C 60 30.907 30.907 30.837 0.070 18411 6257 1 8 . 1 1 60 60 TRP H H 60 9.012 9.012 8.476 0.536 18411 6258 1 8 . 1 1 61 61 LEU N N 61 113.624 113.624 117.442 -3.818 18411 6259 1 8 . 1 1 61 61 LEU HA H 61 3.572 3.572 4.028 -0.456 18411 6260 1 8 . 1 1 61 61 LEU C C 61 179.473 179.473 178.436 1.037 18411 6261 1 8 . 1 1 61 61 LEU CA C 61 57.569 57.569 57.282 0.287 18411 6262 1 8 . 1 1 61 61 LEU CB C 61 41.040 41.040 40.775 0.265 18411 6263 1 8 . 1 1 61 61 LEU H H 61 9.210 9.210 8.810 0.400 18411 6264 1 8 . 1 1 62 62 LYS N N 62 112.991 112.991 116.054 -3.063 18411 6265 1 8 . 1 1 62 62 LYS HA H 62 3.889 3.889 4.034 -0.145 18411 6266 1 8 . 1 1 62 62 LYS C C 62 178.111 178.111 177.139 0.972 18411 6267 1 8 . 1 1 62 62 LYS CA C 62 56.667 56.667 57.279 -0.612 18411 6268 1 8 . 1 1 62 62 LYS CB C 62 31.651 31.651 32.572 -0.921 18411 6269 1 8 . 1 1 62 62 LYS H H 62 6.216 6.216 7.530 -1.314 18411 6270 1 8 . 1 1 63 63 HIS N N 63 114.656 114.656 113.749 0.907 18411 6271 1 8 . 1 1 63 63 HIS HA H 63 4.943 4.943 4.542 0.401 18411 6272 1 8 . 1 1 63 63 HIS C C 63 177.057 177.057 175.350 1.707 18411 6273 1 8 . 1 1 63 63 HIS CA C 63 56.133 56.133 56.386 -0.253 18411 6274 1 8 . 1 1 63 63 HIS CB C 63 33.235 33.235 32.714 0.521 18411 6275 1 8 . 1 1 63 63 HIS H H 63 7.067 7.067 7.343 -0.276 18411 6276 1 8 . 1 1 64 64 LYS N N 64 119.155 119.155 117.034 2.121 18411 6277 1 8 . 1 1 64 64 LYS HA H 64 3.513 3.513 2.172 1.341 18411 6278 1 8 . 1 1 64 64 LYS C C 64 177.074 177.074 176.111 0.963 18411 6279 1 8 . 1 1 64 64 LYS CA C 64 59.166 59.166 59.172 -0.006 18411 6280 1 8 . 1 1 64 64 LYS CB C 64 28.740 28.740 30.354 -1.613 18411 6281 1 8 . 1 1 64 64 LYS H H 64 8.114 8.114 7.935 0.179 18411 6282 1 8 . 1 1 65 65 ASP N N 65 117.882 117.882 119.694 -1.812 18411 6283 1 8 . 1 1 65 65 ASP HA H 65 4.714 4.714 4.680 0.034 18411 6284 1 8 . 1 1 65 65 ASP C C 65 175.195 175.195 177.436 -2.241 18411 6285 1 8 . 1 1 65 65 ASP CA C 65 54.204 54.204 55.171 -0.967 18411 6286 1 8 . 1 1 65 65 ASP CB C 65 40.564 40.564 42.758 -2.194 18411 6287 1 8 . 1 1 65 65 ASP H H 65 7.963 7.963 7.978 -0.015 18411 6288 1 8 . 1 1 66 66 ASN N N 66 122.091 122.091 116.719 5.372 18411 6289 1 8 . 1 1 66 66 ASN HA H 66 4.659 4.659 4.340 0.319 18411 6290 1 8 . 1 1 66 66 ASN C C 66 176.046 176.046 175.136 0.910 18411 6291 1 8 . 1 1 66 66 ASN CA C 66 52.799 52.799 54.104 -1.305 18411 6292 1 8 . 1 1 66 66 ASN CB C 66 39.054 39.054 37.937 1.117 18411 6293 1 8 . 1 1 66 66 ASN H H 66 8.184 8.184 8.448 -0.264 18411 6294 1 8 . 1 1 67 67 ALA N N 67 128.893 128.893 116.817 12.076 18411 6295 1 8 . 1 1 67 67 ALA HA H 67 4.295 4.295 3.955 0.340 18411 6296 1 8 . 1 1 67 67 ALA C C 67 177.886 177.886 176.418 1.468 18411 6297 1 8 . 1 1 67 67 ALA CA C 67 54.049 54.049 53.946 0.103 18411 6298 1 8 . 1 1 67 67 ALA CB C 67 18.549 18.549 18.255 0.294 18411 6299 1 8 . 1 1 67 67 ALA H H 67 8.806 8.806 8.564 0.242 18411 6300 1 8 . 1 1 68 68 ASP N N 68 116.612 116.612 115.378 1.234 18411 6301 1 8 . 1 1 68 68 ASP HA H 68 4.823 4.823 4.753 0.070 18411 6302 1 8 . 1 1 68 68 ASP C C 68 173.310 173.310 174.223 -0.913 18411 6303 1 8 . 1 1 68 68 ASP CA C 68 54.202 54.202 54.336 -0.134 18411 6304 1 8 . 1 1 68 68 ASP CB C 68 40.892 40.892 43.268 -2.376 18411 6305 1 8 . 1 1 68 68 ASP H H 68 8.759 8.759 7.703 1.056 18411 6306 1 8 . 1 1 69 69 PHE N N 69 119.640 119.640 122.859 -3.219 18411 6307 1 8 . 1 1 69 69 PHE HA H 69 5.741 5.741 5.214 0.527 18411 6308 1 8 . 1 1 69 69 PHE C C 69 173.860 173.860 172.963 0.897 18411 6309 1 8 . 1 1 69 69 PHE CA C 69 56.192 56.192 56.130 0.062 18411 6310 1 8 . 1 1 69 69 PHE CB C 69 43.496 43.496 42.045 1.451 18411 6311 1 8 . 1 1 69 69 PHE H H 69 7.912 7.912 7.998 -0.086 18411 6312 1 8 . 1 1 70 70 ALA N N 70 130.226 130.226 131.843 -1.617 18411 6313 1 8 . 1 1 70 70 ALA HA H 70 4.321 4.321 4.751 -0.430 18411 6314 1 8 . 1 1 70 70 ALA C C 70 171.945 171.945 174.584 -2.639 18411 6315 1 8 . 1 1 70 70 ALA CA C 70 51.573 51.573 50.297 1.276 18411 6316 1 8 . 1 1 70 70 ALA CB C 70 23.273 23.273 20.964 2.309 18411 6317 1 8 . 1 1 70 70 ALA H H 70 8.298 8.298 8.920 -0.622 18411 6318 1 8 . 1 1 71 71 LEU N N 71 122.090 122.090 126.698 -4.608 18411 6319 1 8 . 1 1 71 71 LEU HA H 71 5.120 5.120 4.890 0.230 18411 6320 1 8 . 1 1 71 71 LEU C C 71 174.836 174.836 175.296 -0.460 18411 6321 1 8 . 1 1 71 71 LEU CA C 71 53.348 53.348 53.605 -0.257 18411 6322 1 8 . 1 1 71 71 LEU CB C 71 46.617 46.617 43.767 2.849 18411 6323 1 8 . 1 1 71 71 LEU H H 71 7.217 7.217 8.661 -1.444 18411 6324 1 8 . 1 1 72 72 ILE N N 72 123.189 123.189 125.979 -2.790 18411 6325 1 8 . 1 1 72 72 ILE HA H 72 4.336 4.336 4.435 -0.099 18411 6326 1 8 . 1 1 72 72 ILE C C 72 175.377 175.377 175.027 0.350 18411 6327 1 8 . 1 1 72 72 ILE CA C 72 60.236 60.236 58.425 1.811 18411 6328 1 8 . 1 1 72 72 ILE CB C 72 42.355 42.355 39.146 3.209 18411 6329 1 8 . 1 1 72 72 ILE H H 72 8.211 8.211 8.911 -0.700 18411 6330 1 8 . 1 1 73 73 GLY N N 73 114.189 114.189 115.573 -1.384 18411 6331 1 8 . 1 1 73 73 GLY C C 73 172.626 172.626 172.863 -0.237 18411 6332 1 8 . 1 1 73 73 GLY CA C 73 44.213 44.213 44.076 0.137 18411 6333 1 8 . 1 1 73 73 GLY H H 73 9.202 9.202 8.667 0.535 18411 6334 1 8 . 1 1 74 74 ILE N N 74 126.577 126.577 127.850 -1.273 18411 6335 1 8 . 1 1 74 74 ILE HA H 74 3.873 3.873 4.647 -0.774 18411 6336 1 8 . 1 1 74 74 ILE C C 74 174.792 174.792 174.984 -0.192 18411 6337 1 8 . 1 1 74 74 ILE CA C 74 61.660 61.660 60.528 1.132 18411 6338 1 8 . 1 1 74 74 ILE CB C 74 37.394 37.394 38.295 -0.901 18411 6339 1 8 . 1 1 74 74 ILE H H 74 9.279 9.279 9.048 0.231 18411 6340 1 8 . 1 1 75 75 ASP N N 75 129.040 129.040 128.765 0.275 18411 6341 1 8 . 1 1 75 75 ASP HA H 75 5.213 5.213 5.119 0.094 18411 6342 1 8 . 1 1 75 75 ASP C C 75 175.696 175.696 176.189 -0.493 18411 6343 1 8 . 1 1 75 75 ASP CA C 75 52.425 52.425 54.004 -1.579 18411 6344 1 8 . 1 1 75 75 ASP CB C 75 41.673 41.673 43.346 -1.673 18411 6345 1 8 . 1 1 75 75 ASP H H 75 8.592 8.592 8.366 0.226 18411 6346 1 8 . 1 1 76 76 ARG N N 76 128.762 128.762 125.064 3.698 18411 6347 1 8 . 1 1 76 76 ARG HA H 76 4.346 4.346 4.173 0.173 18411 6348 1 8 . 1 1 76 76 ARG C C 76 174.562 174.562 177.682 -3.120 18411 6349 1 8 . 1 1 76 76 ARG CA C 76 58.885 58.885 59.145 -0.260 18411 6350 1 8 . 1 1 76 76 ARG CB C 76 32.732 32.732 30.540 2.192 18411 6351 1 8 . 1 1 76 76 ARG H H 76 8.842 8.842 8.077 0.765 18411 6352 1 8 . 1 1 77 77 ASP N N 77 128.451 128.451 118.430 10.021 18411 6353 1 8 . 1 1 77 77 ASP HA H 77 4.473 4.473 4.697 -0.224 18411 6354 1 8 . 1 1 77 77 ASP C C 77 173.969 173.969 176.015 -2.046 18411 6355 1 8 . 1 1 77 77 ASP CA C 77 56.139 56.139 55.321 0.818 18411 6356 1 8 . 1 1 77 77 ASP CB C 77 42.541 42.541 40.533 2.008 18411 6357 1 8 . 1 1 77 77 ASP H H 77 8.256 8.256 8.548 -0.292 18411 6358 1 8 . 1 1 78 78 GLU N N 78 114.796 114.796 120.475 -5.679 18411 6359 1 8 . 1 1 78 78 GLU HA H 78 5.060 5.060 4.643 0.417 18411 6360 1 8 . 1 1 78 78 GLU C C 78 174.225 174.225 174.983 -0.758 18411 6361 1 8 . 1 1 78 78 GLU CA C 78 54.220 54.220 53.886 0.334 18411 6362 1 8 . 1 1 78 78 GLU CB C 78 32.842 32.842 29.331 3.511 18411 6363 1 8 . 1 1 78 78 GLU H H 78 8.010 8.010 8.178 -0.168 18411 6364 1 8 . 1 1 79 79 PRO HA H 79 4.579 4.579 4.562 0.017 18411 6365 1 8 . 1 1 79 79 PRO C C 79 177.508 177.508 177.783 -0.275 18411 6366 1 8 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.291 -0.224 18411 6367 1 8 . 1 1 79 79 PRO CB C 79 33.096 33.096 32.752 0.344 18411 6368 1 8 . 1 1 80 80 LEU N N 80 122.209 122.209 121.404 0.805 18411 6369 1 8 . 1 1 80 80 LEU HA H 80 3.927 3.927 3.910 0.017 18411 6370 1 8 . 1 1 80 80 LEU C C 80 177.847 177.847 178.718 -0.871 18411 6371 1 8 . 1 1 80 80 LEU CA C 80 59.188 59.188 59.464 -0.276 18411 6372 1 8 . 1 1 80 80 LEU CB C 80 42.001 42.001 41.051 0.950 18411 6373 1 8 . 1 1 80 80 LEU H H 80 8.943 8.943 8.479 0.464 18411 6374 1 8 . 1 1 81 81 GLU N N 81 115.361 115.361 117.278 -1.917 18411 6375 1 8 . 1 1 81 81 GLU HA H 81 3.999 3.999 4.093 -0.094 18411 6376 1 8 . 1 1 81 81 GLU C C 81 180.044 180.044 178.877 1.167 18411 6377 1 8 . 1 1 81 81 GLU CA C 81 60.552 60.552 58.995 1.557 18411 6378 1 8 . 1 1 81 81 GLU CB C 81 28.723 28.723 28.224 0.499 18411 6379 1 8 . 1 1 81 81 GLU H H 81 9.534 9.534 8.938 0.596 18411 6380 1 8 . 1 1 82 82 LYS N N 82 118.582 118.582 120.030 -1.448 18411 6381 1 8 . 1 1 82 82 LYS HA H 82 4.183 4.183 4.185 -0.002 18411 6382 1 8 . 1 1 82 82 LYS C C 82 179.226 179.226 178.698 0.528 18411 6383 1 8 . 1 1 82 82 LYS CA C 82 58.248 58.248 58.568 -0.320 18411 6384 1 8 . 1 1 82 82 LYS CB C 82 32.912 32.912 32.127 0.785 18411 6385 1 8 . 1 1 82 82 LYS H H 82 7.332 7.332 7.455 -0.123 18411 6386 1 8 . 1 1 83 83 VAL N N 83 122.971 122.971 121.090 1.881 18411 6387 1 8 . 1 1 83 83 VAL HA H 83 3.554 3.554 3.691 -0.137 18411 6388 1 8 . 1 1 83 83 VAL C C 83 178.331 178.331 178.741 -0.410 18411 6389 1 8 . 1 1 83 83 VAL CA C 83 67.063 67.063 66.614 0.449 18411 6390 1 8 . 1 1 83 83 VAL CB C 83 31.497 31.497 31.716 -0.219 18411 6391 1 8 . 1 1 83 83 VAL H H 83 7.743 7.743 8.276 -0.533 18411 6392 1 8 . 1 1 84 84 LEU N N 84 119.209 119.209 118.470 0.739 18411 6393 1 8 . 1 1 84 84 LEU HA H 84 4.030 4.030 3.996 0.034 18411 6394 1 8 . 1 1 84 84 LEU C C 84 180.647 180.647 178.486 2.161 18411 6395 1 8 . 1 1 84 84 LEU CA C 84 57.975 57.975 57.926 0.049 18411 6396 1 8 . 1 1 84 84 LEU CB C 84 42.010 42.010 40.860 1.150 18411 6397 1 8 . 1 1 84 84 LEU H H 84 8.706 8.706 8.729 -0.023 18411 6398 1 8 . 1 1 85 85 ALA N N 85 120.801 120.801 122.629 -1.828 18411 6399 1 8 . 1 1 85 85 ALA HA H 85 4.198 4.198 4.050 0.148 18411 6400 1 8 . 1 1 85 85 ALA C C 85 180.253 180.253 179.155 1.098 18411 6401 1 8 . 1 1 85 85 ALA CA C 85 54.947 54.947 54.977 -0.030 18411 6402 1 8 . 1 1 85 85 ALA CB C 85 17.973 17.973 18.184 -0.211 18411 6403 1 8 . 1 1 85 85 ALA H H 85 7.440 7.440 7.453 -0.013 18411 6404 1 8 . 1 1 86 86 PHE N N 86 123.035 123.035 119.610 3.425 18411 6405 1 8 . 1 1 86 86 PHE HA H 86 4.905 4.905 4.098 0.807 18411 6406 1 8 . 1 1 86 86 PHE C C 86 179.015 179.015 176.551 2.464 18411 6407 1 8 . 1 1 86 86 PHE CA C 86 56.648 56.648 60.920 -4.272 18411 6408 1 8 . 1 1 86 86 PHE CB C 86 39.249 39.249 39.291 -0.042 18411 6409 1 8 . 1 1 86 86 PHE H H 86 8.040 8.040 8.295 -0.255 18411 6410 1 8 . 1 1 87 87 ALA N N 87 123.932 123.932 121.034 2.898 18411 6411 1 8 . 1 1 87 87 ALA HA H 87 3.480 3.480 3.842 -0.362 18411 6412 1 8 . 1 1 87 87 ALA C C 87 179.800 179.800 179.140 0.660 18411 6413 1 8 . 1 1 87 87 ALA CA C 87 55.183 55.183 54.716 0.467 18411 6414 1 8 . 1 1 87 87 ALA CB C 87 17.602 17.602 18.905 -1.303 18411 6415 1 8 . 1 1 87 87 ALA H H 87 8.453 8.453 8.154 0.299 18411 6416 1 8 . 1 1 88 88 LYS N N 88 116.535 116.535 116.510 0.025 18411 6417 1 8 . 1 1 88 88 LYS HA H 88 4.030 4.030 4.017 0.013 18411 6418 1 8 . 1 1 88 88 LYS C C 88 179.562 179.562 178.280 1.282 18411 6419 1 8 . 1 1 88 88 LYS CA C 88 59.063 59.063 58.432 0.631 18411 6420 1 8 . 1 1 88 88 LYS CB C 88 32.466 32.466 32.037 0.429 18411 6421 1 8 . 1 1 88 88 LYS H H 88 7.664 7.664 7.960 -0.296 18411 6422 1 8 . 1 1 89 89 SER N N 89 113.619 113.619 114.721 -1.102 18411 6423 1 8 . 1 1 89 89 SER HA H 89 4.271 4.271 4.440 -0.169 18411 6424 1 8 . 1 1 89 89 SER C C 89 177.004 177.004 174.581 2.423 18411 6425 1 8 . 1 1 89 89 SER CA C 89 61.139 61.139 60.002 1.137 18411 6426 1 8 . 1 1 89 89 SER CB C 89 63.327 63.327 63.324 0.003 18411 6427 1 8 . 1 1 89 89 SER H H 89 8.417 8.417 7.617 0.800 18411 6428 1 8 . 1 1 90 90 THR N N 90 109.601 109.601 110.335 -0.734 18411 6429 1 8 . 1 1 90 90 THR HA H 90 4.287 4.287 4.417 -0.130 18411 6430 1 8 . 1 1 90 90 THR C C 90 176.074 176.074 175.200 0.874 18411 6431 1 8 . 1 1 90 90 THR CA C 90 62.926 62.926 61.653 1.273 18411 6432 1 8 . 1 1 90 90 THR CB C 90 70.563 70.563 71.097 -0.534 18411 6433 1 8 . 1 1 90 90 THR H H 90 7.710 7.710 7.732 -0.022 18411 6434 1 8 . 1 1 91 91 GLY N N 91 110.243 110.243 111.155 -0.912 18411 6435 1 8 . 1 1 91 91 GLY C C 91 174.815 174.815 173.363 1.452 18411 6436 1 8 . 1 1 91 91 GLY CA C 91 46.042 46.042 44.914 1.128 18411 6437 1 8 . 1 1 91 91 GLY H H 91 7.609 7.609 8.015 -0.406 18411 6438 1 8 . 1 1 92 92 VAL N N 92 112.099 112.099 121.571 -9.472 18411 6439 1 8 . 1 1 92 92 VAL HA H 92 4.309 4.309 3.338 0.971 18411 6440 1 8 . 1 1 92 92 VAL C C 92 178.372 178.372 175.113 3.259 18411 6441 1 8 . 1 1 92 92 VAL CA C 92 60.696 60.696 63.207 -2.511 18411 6442 1 8 . 1 1 92 92 VAL CB C 92 32.337 32.337 29.946 2.391 18411 6443 1 8 . 1 1 92 92 VAL H H 92 7.046 7.046 8.308 -1.262 18411 6444 1 8 . 1 1 93 93 THR N N 93 114.289 114.289 114.618 -0.329 18411 6445 1 8 . 1 1 93 93 THR HA H 93 4.457 4.457 4.318 0.139 18411 6446 1 8 . 1 1 93 93 THR C C 93 175.115 175.115 173.703 1.412 18411 6447 1 8 . 1 1 93 93 THR CA C 93 61.280 61.280 61.896 -0.616 18411 6448 1 8 . 1 1 93 93 THR CB C 93 70.314 70.314 69.603 0.711 18411 6449 1 8 . 1 1 93 93 THR H H 93 10.844 10.844 9.207 1.637 18411 6450 1 8 . 1 1 94 94 TYR N N 94 122.050 122.050 118.683 3.367 18411 6451 1 8 . 1 1 94 94 TYR HA H 94 3.740 3.740 4.381 -0.641 18411 6452 1 8 . 1 1 94 94 TYR C C 94 171.563 171.563 173.013 -1.450 18411 6453 1 8 . 1 1 94 94 TYR CA C 94 53.080 53.080 53.223 -0.143 18411 6454 1 8 . 1 1 94 94 TYR CB C 94 34.195 34.195 37.237 -3.042 18411 6455 1 8 . 1 1 94 94 TYR H H 94 6.391 6.391 6.853 -0.462 18411 6456 1 8 . 1 1 95 95 PRO HA H 95 4.105 4.105 4.343 -0.238 18411 6457 1 8 . 1 1 95 95 PRO C C 95 175.152 175.152 175.630 -0.478 18411 6458 1 8 . 1 1 95 95 PRO CA C 95 63.799 63.799 62.857 0.942 18411 6459 1 8 . 1 1 95 95 PRO CB C 95 32.919 32.919 32.557 0.362 18411 6460 1 8 . 1 1 96 96 LEU N N 96 122.325 122.325 124.113 -1.788 18411 6461 1 8 . 1 1 96 96 LEU HA H 96 5.143 5.143 5.210 -0.067 18411 6462 1 8 . 1 1 96 96 LEU C C 96 176.072 176.072 176.774 -0.702 18411 6463 1 8 . 1 1 96 96 LEU CA C 96 52.794 52.794 53.612 -0.818 18411 6464 1 8 . 1 1 96 96 LEU CB C 96 45.567 45.567 44.930 0.637 18411 6465 1 8 . 1 1 96 96 LEU H H 96 8.256 8.256 8.230 0.026 18411 6466 1 8 . 1 1 97 97 GLY N N 97 107.295 107.295 108.133 -0.838 18411 6467 1 8 . 1 1 97 97 GLY C C 97 171.546 171.546 172.272 -0.726 18411 6468 1 8 . 1 1 97 97 GLY CA C 97 44.069 44.069 43.525 0.544 18411 6469 1 8 . 1 1 97 97 GLY H H 97 9.177 9.177 9.061 0.116 18411 6470 1 8 . 1 1 98 98 LEU N N 98 118.550 118.550 117.111 1.439 18411 6471 1 8 . 1 1 98 98 LEU HA H 98 4.872 4.872 5.621 -0.749 18411 6472 1 8 . 1 1 98 98 LEU C C 98 176.132 176.132 175.185 0.947 18411 6473 1 8 . 1 1 98 98 LEU CA C 98 54.460 54.460 52.850 1.610 18411 6474 1 8 . 1 1 98 98 LEU CB C 98 43.567 43.567 44.530 -0.963 18411 6475 1 8 . 1 1 98 98 LEU H H 98 8.106 8.106 8.387 -0.281 18411 6476 1 8 . 1 1 99 99 ASP N N 99 118.061 118.061 122.510 -4.449 18411 6477 1 8 . 1 1 99 99 ASP HA H 99 5.403 5.403 5.084 0.319 18411 6478 1 8 . 1 1 99 99 ASP C C 99 175.069 175.069 173.832 1.237 18411 6479 1 8 . 1 1 99 99 ASP CA C 99 51.057 51.057 50.726 0.331 18411 6480 1 8 . 1 1 99 99 ASP CB C 99 42.069 42.069 42.391 -0.322 18411 6481 1 8 . 1 1 99 99 ASP H H 99 8.481 8.481 8.731 -0.250 18411 6482 1 8 . 1 1 100 100 PRO HA H 100 4.564 4.564 4.274 0.290 18411 6483 1 8 . 1 1 100 100 PRO C C 100 179.600 179.600 177.206 2.394 18411 6484 1 8 . 1 1 100 100 PRO CA C 100 64.020 64.020 63.253 0.767 18411 6485 1 8 . 1 1 100 100 PRO CB C 100 31.455 31.455 30.908 0.547 18411 6486 1 8 . 1 1 101 101 GLY N N 101 114.780 114.780 113.023 1.757 18411 6487 1 8 . 1 1 101 101 GLY C C 101 173.600 173.600 174.282 -0.682 18411 6488 1 8 . 1 1 101 101 GLY CA C 101 46.175 46.175 44.950 1.225 18411 6489 1 8 . 1 1 101 101 GLY H H 101 9.045 9.045 9.476 -0.431 18411 6490 1 8 . 1 1 102 102 ALA N N 102 117.089 117.089 121.307 -4.218 18411 6491 1 8 . 1 1 102 102 ALA HA H 102 4.376 4.376 4.086 0.290 18411 6492 1 8 . 1 1 102 102 ALA C C 102 175.955 175.955 177.001 -1.046 18411 6493 1 8 . 1 1 102 102 ALA CA C 102 52.693 52.693 52.950 -0.257 18411 6494 1 8 . 1 1 102 102 ALA CB C 102 18.256 18.256 17.492 0.764 18411 6495 1 8 . 1 1 102 102 ALA H H 102 8.257 8.257 8.024 0.233 18411 6496 1 8 . 1 1 103 103 ASP N N 103 118.691 118.691 117.955 0.736 18411 6497 1 8 . 1 1 103 103 ASP HA H 103 4.444 4.444 4.536 -0.092 18411 6498 1 8 . 1 1 103 103 ASP C C 103 179.021 179.021 177.768 1.253 18411 6499 1 8 . 1 1 103 103 ASP CA C 103 57.935 57.935 56.672 1.263 18411 6500 1 8 . 1 1 103 103 ASP CB C 103 41.368 41.368 41.577 -0.209 18411 6501 1 8 . 1 1 103 103 ASP H H 103 6.739 6.739 8.293 -1.554 18411 6502 1 8 . 1 1 104 104 ILE N N 104 126.075 126.075 119.971 6.104 18411 6503 1 8 . 1 1 104 104 ILE HA H 104 3.682 3.682 3.794 -0.112 18411 6504 1 8 . 1 1 104 104 ILE C C 104 179.321 179.321 177.705 1.616 18411 6505 1 8 . 1 1 104 104 ILE CA C 104 66.522 66.522 62.842 3.680 18411 6506 1 8 . 1 1 104 104 ILE CB C 104 36.754 36.754 37.066 -0.312 18411 6507 1 8 . 1 1 104 104 ILE H H 104 11.476 11.476 8.676 2.800 18411 6508 1 8 . 1 1 105 105 PHE N N 105 124.513 124.513 120.258 4.255 18411 6509 1 8 . 1 1 105 105 PHE HA H 105 3.646 3.646 3.838 -0.192 18411 6510 1 8 . 1 1 105 105 PHE C C 105 177.818 177.818 176.494 1.324 18411 6511 1 8 . 1 1 105 105 PHE CA C 105 62.948 62.948 61.414 1.534 18411 6512 1 8 . 1 1 105 105 PHE CB C 105 38.350 38.350 39.246 -0.896 18411 6513 1 8 . 1 1 105 105 PHE H H 105 9.473 9.473 9.142 0.331 18411 6514 1 8 . 1 1 106 106 ALA N N 106 115.835 115.835 119.987 -4.152 18411 6515 1 8 . 1 1 106 106 ALA HA H 106 4.927 4.927 4.724 0.203 18411 6516 1 8 . 1 1 106 106 ALA C C 106 179.271 179.271 178.515 0.756 18411 6517 1 8 . 1 1 106 106 ALA CA C 106 52.672 52.672 53.653 -0.981 18411 6518 1 8 . 1 1 106 106 ALA CB C 106 19.093 19.093 18.380 0.713 18411 6519 1 8 . 1 1 106 106 ALA H H 106 8.418 8.418 7.575 0.843 18411 6520 1 8 . 1 1 107 107 LYS N N 107 116.823 116.823 117.187 -0.364 18411 6521 1 8 . 1 1 107 107 LYS HA H 107 4.145 4.145 4.043 0.102 18411 6522 1 8 . 1 1 107 107 LYS C C 107 176.006 176.006 177.267 -1.261 18411 6523 1 8 . 1 1 107 107 LYS CA C 107 57.980 57.980 57.716 0.264 18411 6524 1 8 . 1 1 107 107 LYS CB C 107 33.041 33.041 32.114 0.927 18411 6525 1 8 . 1 1 107 107 LYS H H 107 8.106 8.106 7.811 0.295 18411 6526 1 8 . 1 1 108 108 TYR N N 108 114.793 114.793 115.117 -0.324 18411 6527 1 8 . 1 1 108 108 TYR HA H 108 4.311 4.311 4.507 -0.196 18411 6528 1 8 . 1 1 108 108 TYR C C 108 176.010 176.010 174.570 1.440 18411 6529 1 8 . 1 1 108 108 TYR CA C 108 59.270 59.270 59.282 -0.012 18411 6530 1 8 . 1 1 108 108 TYR CB C 108 40.965 40.965 41.330 -0.365 18411 6531 1 8 . 1 1 108 108 TYR H H 108 7.811 7.811 7.413 0.398 18411 6532 1 8 . 1 1 109 109 ALA N N 109 125.709 125.709 118.917 6.792 18411 6533 1 8 . 1 1 109 109 ALA HA H 109 4.760 4.760 4.866 -0.106 18411 6534 1 8 . 1 1 109 109 ALA C C 109 174.711 174.711 174.854 -0.143 18411 6535 1 8 . 1 1 109 109 ALA CA C 109 50.276 50.276 49.995 0.281 18411 6536 1 8 . 1 1 109 109 ALA CB C 109 21.924 21.924 21.519 0.405 18411 6537 1 8 . 1 1 109 109 ALA H H 109 8.595 8.595 7.916 0.679 18411 6538 1 8 . 1 1 110 110 LEU N N 110 117.834 117.834 119.956 -2.122 18411 6539 1 8 . 1 1 110 110 LEU HA H 110 4.137 4.137 4.265 -0.128 18411 6540 1 8 . 1 1 110 110 LEU C C 110 179.153 179.153 178.667 0.486 18411 6541 1 8 . 1 1 110 110 LEU CA C 110 55.164 55.164 55.806 -0.642 18411 6542 1 8 . 1 1 110 110 LEU CB C 110 42.292 42.292 42.540 -0.248 18411 6543 1 8 . 1 1 110 110 LEU H H 110 7.814 7.814 8.483 -0.669 18411 6544 1 8 . 1 1 111 111 ARG N N 111 119.787 119.787 121.818 -2.031 18411 6545 1 8 . 1 1 111 111 ARG HA H 111 3.916 3.916 4.353 -0.437 18411 6546 1 8 . 1 1 111 111 ARG C C 111 176.962 176.962 176.518 0.444 18411 6547 1 8 . 1 1 111 111 ARG CA C 111 60.538 60.538 58.941 1.597 18411 6548 1 8 . 1 1 111 111 ARG CB C 111 30.424 30.424 30.471 -0.047 18411 6549 1 8 . 1 1 111 111 ARG H H 111 8.655 8.655 8.705 -0.050 18411 6550 1 8 . 1 1 112 112 ASP N N 112 113.338 113.338 115.184 -1.846 18411 6551 1 8 . 1 1 112 112 ASP HA H 112 4.662 4.662 4.666 -0.004 18411 6552 1 8 . 1 1 112 112 ASP C C 112 176.387 176.387 176.440 -0.053 18411 6553 1 8 . 1 1 112 112 ASP CA C 112 52.833 52.833 53.540 -0.707 18411 6554 1 8 . 1 1 112 112 ASP CB C 112 40.135 40.135 41.026 -0.891 18411 6555 1 8 . 1 1 112 112 ASP H H 112 8.205 8.205 8.053 0.152 18411 6556 1 8 . 1 1 113 113 ALA N N 113 122.885 122.885 123.546 -0.661 18411 6557 1 8 . 1 1 113 113 ALA HA H 113 4.347 4.347 4.459 -0.112 18411 6558 1 8 . 1 1 113 113 ALA C C 113 177.740 177.740 176.849 0.891 18411 6559 1 8 . 1 1 113 113 ALA CA C 113 51.983 51.983 51.379 0.604 18411 6560 1 8 . 1 1 113 113 ALA CB C 113 20.558 20.558 17.014 3.544 18411 6561 1 8 . 1 1 113 113 ALA H H 113 7.919 7.919 8.080 -0.161 18411 6562 1 8 . 1 1 114 114 GLY CA C 114 45.480 45.480 45.220 0.260 18411 6563 1 8 . 1 1 115 115 ILE N N 115 122.165 122.165 120.219 1.946 18411 6564 1 8 . 1 1 115 115 ILE HA H 115 4.119 4.119 4.170 -0.051 18411 6565 1 8 . 1 1 115 115 ILE CA C 115 60.788 60.788 61.819 -1.032 18411 6566 1 8 . 1 1 115 115 ILE CB C 115 39.651 39.651 39.407 0.244 18411 6567 1 8 . 1 1 115 115 ILE H H 115 8.253 8.253 8.412 -0.159 18411 6568 1 8 . 1 1 116 116 THR N N 116 110.198 110.198 120.658 -10.460 18411 6569 1 8 . 1 1 116 116 THR HA H 116 4.101 4.101 4.653 -0.552 18411 6570 1 8 . 1 1 116 116 THR CA C 116 62.947 62.947 63.983 -1.036 18411 6571 1 8 . 1 1 116 116 THR CB C 116 69.031 69.031 68.113 0.918 18411 6572 1 8 . 1 1 116 116 THR H H 116 7.033 7.033 8.205 -1.172 18411 6573 1 8 . 1 1 117 117 ARG N N 117 130.624 130.624 123.369 7.255 18411 6574 1 8 . 1 1 117 117 ARG HA H 117 4.997 4.997 4.916 0.081 18411 6575 1 8 . 1 1 117 117 ARG C C 117 173.296 173.296 173.485 -0.189 18411 6576 1 8 . 1 1 117 117 ARG CA C 117 56.468 56.468 55.692 0.776 18411 6577 1 8 . 1 1 117 117 ARG CB C 117 31.949 31.949 32.880 -0.931 18411 6578 1 8 . 1 1 117 117 ARG H H 117 8.250 8.250 7.996 0.254 18411 6579 1 8 . 1 1 118 118 ASN N N 118 118.226 118.226 119.979 -1.753 18411 6580 1 8 . 1 1 118 118 ASN HA H 118 6.127 6.127 5.200 0.927 18411 6581 1 8 . 1 1 118 118 ASN C C 118 173.805 173.805 173.769 0.036 18411 6582 1 8 . 1 1 118 118 ASN CA C 118 51.759 51.759 52.881 -1.122 18411 6583 1 8 . 1 1 118 118 ASN CB C 118 41.892 41.892 41.401 0.491 18411 6584 1 8 . 1 1 118 118 ASN H H 118 7.730 7.730 8.793 -1.063 18411 6585 1 8 . 1 1 119 119 VAL N N 119 120.477 120.477 124.065 -3.588 18411 6586 1 8 . 1 1 119 119 VAL HA H 119 4.766 4.766 4.852 -0.086 18411 6587 1 8 . 1 1 119 119 VAL C C 119 173.809 173.809 174.100 -0.291 18411 6588 1 8 . 1 1 119 119 VAL CA C 119 60.808 60.808 61.573 -0.765 18411 6589 1 8 . 1 1 119 119 VAL CB C 119 35.887 35.887 33.517 2.370 18411 6590 1 8 . 1 1 119 119 VAL H H 119 9.269 9.269 9.204 0.065 18411 6591 1 8 . 1 1 120 120 LEU N N 120 128.017 128.017 129.629 -1.612 18411 6592 1 8 . 1 1 120 120 LEU HA H 120 5.350 5.350 5.205 0.145 18411 6593 1 8 . 1 1 120 120 LEU C C 120 174.606 174.606 174.510 0.096 18411 6594 1 8 . 1 1 120 120 LEU CA C 120 53.563 53.563 53.528 0.035 18411 6595 1 8 . 1 1 120 120 LEU CB C 120 46.211 46.211 45.881 0.330 18411 6596 1 8 . 1 1 120 120 LEU H H 120 8.829 8.829 9.090 -0.261 18411 6597 1 8 . 1 1 121 121 ILE N N 121 131.629 131.629 127.416 4.213 18411 6598 1 8 . 1 1 121 121 ILE HA H 121 4.799 4.799 5.180 -0.381 18411 6599 1 8 . 1 1 121 121 ILE C C 121 174.731 174.731 175.058 -0.327 18411 6600 1 8 . 1 1 121 121 ILE CA C 121 60.450 60.450 59.026 1.424 18411 6601 1 8 . 1 1 121 121 ILE CB C 121 41.651 41.651 41.478 0.173 18411 6602 1 8 . 1 1 121 121 ILE H H 121 9.659 9.659 9.324 0.335 18411 6603 1 8 . 1 1 122 122 ASP N N 122 124.197 124.197 126.721 -2.524 18411 6604 1 8 . 1 1 122 122 ASP HA H 122 4.513 4.513 4.832 -0.319 18411 6605 1 8 . 1 1 122 122 ASP C C 122 177.586 177.586 177.700 -0.114 18411 6606 1 8 . 1 1 122 122 ASP CA C 122 52.442 52.442 52.711 -0.269 18411 6607 1 8 . 1 1 122 122 ASP CB C 122 41.476 41.476 42.717 -1.241 18411 6608 1 8 . 1 1 122 122 ASP H H 122 9.128 9.128 8.835 0.293 18411 6609 1 8 . 1 1 123 123 ARG N N 123 113.396 113.396 118.434 -5.038 18411 6610 1 8 . 1 1 123 123 ARG HA H 123 4.186 4.186 4.230 -0.044 18411 6611 1 8 . 1 1 123 123 ARG C C 123 178.717 178.717 178.017 0.700 18411 6612 1 8 . 1 1 123 123 ARG CA C 123 58.243 58.243 59.467 -1.224 18411 6613 1 8 . 1 1 123 123 ARG CB C 123 30.783 30.783 30.348 0.435 18411 6614 1 8 . 1 1 123 123 ARG H H 123 7.870 7.870 8.634 -0.764 18411 6615 1 8 . 1 1 124 124 GLU N N 124 117.427 117.427 118.130 -0.703 18411 6616 1 8 . 1 1 124 124 GLU HA H 124 4.310 4.310 4.147 0.163 18411 6617 1 8 . 1 1 124 124 GLU C C 124 176.034 176.034 177.184 -1.150 18411 6618 1 8 . 1 1 124 124 GLU CA C 124 56.164 56.164 56.979 -0.815 18411 6619 1 8 . 1 1 124 124 GLU CB C 124 30.541 30.541 29.776 0.765 18411 6620 1 8 . 1 1 124 124 GLU H H 124 8.155 8.155 8.564 -0.409 18411 6621 1 8 . 1 1 125 125 GLY N N 125 105.681 105.681 106.767 -1.086 18411 6622 1 8 . 1 1 125 125 GLY C C 125 174.204 174.204 173.702 0.502 18411 6623 1 8 . 1 1 125 125 GLY CA C 125 45.160 45.160 44.889 0.271 18411 6624 1 8 . 1 1 125 125 GLY H H 125 8.094 8.094 7.998 0.096 18411 6625 1 8 . 1 1 126 126 LYS N N 126 122.326 122.326 120.776 1.550 18411 6626 1 8 . 1 1 126 126 LYS HA H 126 4.647 4.647 5.093 -0.446 18411 6627 1 8 . 1 1 126 126 LYS C C 126 176.390 176.390 176.282 0.108 18411 6628 1 8 . 1 1 126 126 LYS CA C 126 55.393 55.393 54.837 0.555 18411 6629 1 8 . 1 1 126 126 LYS CB C 126 33.569 33.569 34.237 -0.668 18411 6630 1 8 . 1 1 126 126 LYS H H 126 8.502 8.502 8.487 0.015 18411 6631 1 8 . 1 1 127 127 ILE N N 127 121.946 121.946 124.834 -2.888 18411 6632 1 8 . 1 1 127 127 ILE HA H 127 4.048 4.048 4.341 -0.293 18411 6633 1 8 . 1 1 127 127 ILE C C 127 177.735 177.735 176.540 1.195 18411 6634 1 8 . 1 1 127 127 ILE CA C 127 63.200 63.200 62.678 0.522 18411 6635 1 8 . 1 1 127 127 ILE CB C 127 38.106 38.106 36.966 1.140 18411 6636 1 8 . 1 1 127 127 ILE H H 127 8.739 8.739 9.086 -0.347 18411 6637 1 8 . 1 1 128 128 VAL N N 128 122.026 122.026 123.875 -1.849 18411 6638 1 8 . 1 1 128 128 VAL HA H 128 4.695 4.695 4.323 0.372 18411 6639 1 8 . 1 1 128 128 VAL C C 128 175.968 175.968 175.315 0.653 18411 6640 1 8 . 1 1 128 128 VAL CA C 128 61.535 61.535 61.981 -0.446 18411 6641 1 8 . 1 1 128 128 VAL CB C 128 33.996 33.996 32.744 1.252 18411 6642 1 8 . 1 1 128 128 VAL H H 128 9.397 9.397 8.863 0.534 18411 6643 1 8 . 1 1 129 129 LYS N N 129 121.635 121.635 121.455 0.180 18411 6644 1 8 . 1 1 129 129 LYS HA H 129 4.359 4.359 4.536 -0.177 18411 6645 1 8 . 1 1 129 129 LYS C C 129 172.896 172.896 173.923 -1.027 18411 6646 1 8 . 1 1 129 129 LYS CA C 129 57.322 57.322 55.209 2.113 18411 6647 1 8 . 1 1 129 129 LYS CB C 129 36.802 36.802 35.344 1.458 18411 6648 1 8 . 1 1 129 129 LYS H H 129 7.708 7.708 7.624 0.084 18411 6649 1 8 . 1 1 130 130 LEU N N 130 126.219 126.219 126.843 -0.624 18411 6650 1 8 . 1 1 130 130 LEU HA H 130 5.140 5.140 5.226 -0.086 18411 6651 1 8 . 1 1 130 130 LEU C C 130 176.956 176.956 176.983 -0.027 18411 6652 1 8 . 1 1 130 130 LEU CA C 130 53.572 53.572 53.423 0.149 18411 6653 1 8 . 1 1 130 130 LEU CB C 130 44.700 44.700 42.073 2.627 18411 6654 1 8 . 1 1 130 130 LEU H H 130 8.301 8.301 8.605 -0.304 18411 6655 1 8 . 1 1 131 131 THR N N 131 113.484 113.484 120.478 -6.994 18411 6656 1 8 . 1 1 131 131 THR HA H 131 5.136 5.136 4.801 0.335 18411 6657 1 8 . 1 1 131 131 THR C C 131 175.492 175.492 174.193 1.299 18411 6658 1 8 . 1 1 131 131 THR CA C 131 61.033 61.033 61.607 -0.574 18411 6659 1 8 . 1 1 131 131 THR CB C 131 70.922 70.922 70.415 0.507 18411 6660 1 8 . 1 1 131 131 THR H H 131 9.298 9.298 8.826 0.472 18411 6661 1 8 . 1 1 132 132 ARG HA H 132 5.150 5.150 4.517 0.633 18411 6662 1 8 . 1 1 132 132 ARG CA C 132 55.585 55.585 55.850 -0.265 18411 6663 1 8 . 1 1 132 132 ARG CB C 132 33.035 33.035 30.517 2.518 18411 6664 1 8 . 1 1 133 133 LEU N N 133 118.967 118.967 118.443 0.524 18411 6665 1 8 . 1 1 133 133 LEU HA H 133 4.302 4.302 4.080 0.222 18411 6666 1 8 . 1 1 133 133 LEU CA C 133 56.200 56.200 55.690 0.510 18411 6667 1 8 . 1 1 133 133 LEU CB C 133 41.616 41.616 39.644 1.972 18411 6668 1 8 . 1 1 133 133 LEU H H 133 8.167 8.167 8.408 -0.241 18411 6669 1 8 . 1 1 134 134 TYR N N 134 124.816 124.816 117.068 7.748 18411 6670 1 8 . 1 1 134 134 TYR HA H 134 4.963 4.963 4.155 0.808 18411 6671 1 8 . 1 1 134 134 TYR CA C 134 57.154 57.154 58.898 -1.744 18411 6672 1 8 . 1 1 134 134 TYR CB C 134 38.948 38.948 37.987 0.961 18411 6673 1 8 . 1 1 134 134 TYR H H 134 7.805 7.805 7.731 0.074 18411 6674 1 8 . 1 1 135 135 ASN HA H 135 4.415 4.415 4.540 -0.125 18411 6675 1 8 . 1 1 135 135 ASN CA C 135 51.995 51.995 51.434 0.561 18411 6676 1 8 . 1 1 135 135 ASN CB C 135 40.521 40.521 41.437 -0.916 18411 6677 1 8 . 1 1 136 136 GLU HA H 136 3.694 3.694 3.697 -0.003 18411 6678 1 8 . 1 1 136 136 GLU C C 136 178.797 178.797 178.127 0.670 18411 6679 1 8 . 1 1 136 136 GLU CA C 136 61.052 61.052 60.753 0.299 18411 6680 1 8 . 1 1 136 136 GLU CB C 136 29.353 29.353 28.841 0.512 18411 6681 1 8 . 1 1 137 137 GLU N N 137 120.717 120.717 118.727 1.990 18411 6682 1 8 . 1 1 137 137 GLU HA H 137 4.176 4.176 4.075 0.101 18411 6683 1 8 . 1 1 137 137 GLU C C 137 179.707 179.707 179.576 0.131 18411 6684 1 8 . 1 1 137 137 GLU CA C 137 59.800 59.800 59.610 0.190 18411 6685 1 8 . 1 1 137 137 GLU CB C 137 29.284 29.284 28.975 0.309 18411 6686 1 8 . 1 1 137 137 GLU H H 137 8.364 8.364 8.628 -0.264 18411 6687 1 8 . 1 1 138 138 GLU N N 138 122.448 122.448 120.066 2.382 18411 6688 1 8 . 1 1 138 138 GLU HA H 138 4.190 4.190 4.057 0.133 18411 6689 1 8 . 1 1 138 138 GLU C C 138 179.927 179.927 178.941 0.986 18411 6690 1 8 . 1 1 138 138 GLU CA C 138 59.129 59.129 59.349 -0.220 18411 6691 1 8 . 1 1 138 138 GLU CB C 138 30.064 30.064 29.508 0.556 18411 6692 1 8 . 1 1 138 138 GLU H H 138 8.448 8.448 9.013 -0.565 18411 6693 1 8 . 1 1 139 139 PHE N N 139 122.454 122.454 121.155 1.299 18411 6694 1 8 . 1 1 139 139 PHE HA H 139 4.171 4.171 4.179 -0.008 18411 6695 1 8 . 1 1 139 139 PHE C C 139 177.370 177.370 177.079 0.291 18411 6696 1 8 . 1 1 139 139 PHE CA C 139 62.690 62.690 61.614 1.075 18411 6697 1 8 . 1 1 139 139 PHE CB C 139 39.579 39.579 38.988 0.591 18411 6698 1 8 . 1 1 139 139 PHE H H 139 8.895 8.895 8.730 0.165 18411 6699 1 8 . 1 1 140 140 ALA N N 140 120.155 120.155 121.847 -1.692 18411 6700 1 8 . 1 1 140 140 ALA HA H 140 4.100 4.100 3.760 0.340 18411 6701 1 8 . 1 1 140 140 ALA C C 140 181.270 181.270 179.433 1.837 18411 6702 1 8 . 1 1 140 140 ALA CA C 140 55.203 55.203 55.471 -0.268 18411 6703 1 8 . 1 1 140 140 ALA CB C 140 17.716 17.716 18.136 -0.420 18411 6704 1 8 . 1 1 140 140 ALA H H 140 8.240 8.240 8.809 -0.569 18411 6705 1 8 . 1 1 141 141 SER N N 141 114.095 114.095 115.120 -1.025 18411 6706 1 8 . 1 1 141 141 SER HA H 141 4.267 4.267 4.168 0.099 18411 6707 1 8 . 1 1 141 141 SER C C 141 176.895 176.895 176.573 0.322 18411 6708 1 8 . 1 1 141 141 SER CA C 141 61.291 61.291 62.533 -1.242 18411 6709 1 8 . 1 1 141 141 SER CB C 141 62.690 62.690 63.003 -0.313 18411 6710 1 8 . 1 1 141 141 SER H H 141 7.835 7.835 8.129 -0.294 18411 6711 1 8 . 1 1 142 142 LEU N N 142 126.764 126.764 122.866 3.898 18411 6712 1 8 . 1 1 142 142 LEU HA H 142 3.908 3.908 3.979 -0.071 18411 6713 1 8 . 1 1 142 142 LEU C C 142 176.876 176.876 178.172 -1.296 18411 6714 1 8 . 1 1 142 142 LEU CA C 142 58.757 58.757 57.976 0.781 18411 6715 1 8 . 1 1 142 142 LEU CB C 142 41.653 41.653 41.898 -0.245 18411 6716 1 8 . 1 1 142 142 LEU H H 142 7.833 7.833 8.199 -0.366 18411 6717 1 8 . 1 1 143 143 VAL N N 143 119.066 119.066 119.579 -0.513 18411 6718 1 8 . 1 1 143 143 VAL HA H 143 3.174 3.174 3.381 -0.207 18411 6719 1 8 . 1 1 143 143 VAL C C 143 178.479 178.479 177.659 0.820 18411 6720 1 8 . 1 1 143 143 VAL CA C 143 66.864 66.864 67.506 -0.642 18411 6721 1 8 . 1 1 143 143 VAL CB C 143 32.350 32.350 31.186 1.164 18411 6722 1 8 . 1 1 143 143 VAL H H 143 8.010 8.010 8.252 -0.242 18411 6723 1 8 . 1 1 144 144 GLN N N 144 118.170 118.170 118.184 -0.014 18411 6724 1 8 . 1 1 144 144 GLN HA H 144 4.028 4.028 3.858 0.170 18411 6725 1 8 . 1 1 144 144 GLN C C 144 178.335 178.335 178.072 0.263 18411 6726 1 8 . 1 1 144 144 GLN CA C 144 59.591 59.591 59.307 0.284 18411 6727 1 8 . 1 1 144 144 GLN CB C 144 32.906 32.906 28.484 4.422 18411 6728 1 8 . 1 1 144 144 GLN H H 144 7.935 7.935 7.677 0.258 18411 6729 1 8 . 1 1 145 145 GLN N N 145 119.839 119.839 119.901 -0.062 18411 6730 1 8 . 1 1 145 145 GLN HA H 145 4.029 4.029 4.022 0.007 18411 6731 1 8 . 1 1 145 145 GLN C C 145 178.686 178.686 178.641 0.045 18411 6732 1 8 . 1 1 145 145 GLN CA C 145 59.270 59.270 59.127 0.143 18411 6733 1 8 . 1 1 145 145 GLN CB C 145 27.587 27.587 28.631 -1.044 18411 6734 1 8 . 1 1 145 145 GLN H H 145 7.986 7.986 8.143 -0.157 18411 6735 1 8 . 1 1 146 146 ILE N N 146 119.900 119.900 120.018 -0.118 18411 6736 1 8 . 1 1 146 146 ILE HA H 146 3.345 3.345 3.648 -0.303 18411 6737 1 8 . 1 1 146 146 ILE C C 146 177.393 177.393 177.911 -0.518 18411 6738 1 8 . 1 1 146 146 ILE CA C 146 66.902 66.902 65.445 1.457 18411 6739 1 8 . 1 1 146 146 ILE CB C 146 38.281 38.281 37.823 0.458 18411 6740 1 8 . 1 1 146 146 ILE H H 146 8.171 8.171 8.556 -0.385 18411 6741 1 8 . 1 1 147 147 ASN N N 147 116.163 116.163 117.678 -1.515 18411 6742 1 8 . 1 1 147 147 ASN HA H 147 4.196 4.196 4.478 -0.282 18411 6743 1 8 . 1 1 147 147 ASN C C 147 179.035 179.035 177.600 1.435 18411 6744 1 8 . 1 1 147 147 ASN CA C 147 56.348 56.348 56.103 0.244 18411 6745 1 8 . 1 1 147 147 ASN CB C 147 38.062 38.062 37.924 0.138 18411 6746 1 8 . 1 1 147 147 ASN H H 147 7.896 7.896 8.173 -0.277 18411 6747 1 8 . 1 1 148 148 GLU N N 148 118.645 118.645 120.666 -2.021 18411 6748 1 8 . 1 1 148 148 GLU HA H 148 3.970 3.970 4.122 -0.152 18411 6749 1 8 . 1 1 148 148 GLU C C 148 179.964 179.964 178.746 1.218 18411 6750 1 8 . 1 1 148 148 GLU CA C 148 59.340 59.340 59.192 0.148 18411 6751 1 8 . 1 1 148 148 GLU CB C 148 29.572 29.572 29.795 -0.223 18411 6752 1 8 . 1 1 148 148 GLU H H 148 8.311 8.311 8.258 0.053 18411 6753 1 8 . 1 1 149 149 MET N N 149 119.218 119.218 118.680 0.538 18411 6754 1 8 . 1 1 149 149 MET HA H 149 4.140 4.140 4.220 -0.080 18411 6755 1 8 . 1 1 149 149 MET C C 149 179.419 179.419 177.817 1.602 18411 6756 1 8 . 1 1 149 149 MET CA C 149 59.040 59.040 58.709 0.331 18411 6757 1 8 . 1 1 149 149 MET CB C 149 35.293 35.293 32.765 2.528 18411 6758 1 8 . 1 1 149 149 MET H H 149 8.527 8.527 7.993 0.534 18411 6759 1 8 . 1 1 150 150 LEU N N 150 118.078 118.078 115.821 2.257 18411 6760 1 8 . 1 1 150 150 LEU HA H 150 4.245 4.245 4.268 -0.023 18411 6761 1 8 . 1 1 150 150 LEU C C 150 178.141 178.141 178.963 -0.822 18411 6762 1 8 . 1 1 150 150 LEU CA C 150 55.824 55.824 56.194 -0.370 18411 6763 1 8 . 1 1 150 150 LEU CB C 150 41.533 41.533 41.320 0.213 18411 6764 1 8 . 1 1 150 150 LEU H H 150 7.917 7.917 7.804 0.113 18411 6765 1 8 . 1 1 151 151 LYS N N 151 120.096 120.096 118.624 1.472 18411 6766 1 8 . 1 1 151 151 LYS HA H 151 4.181 4.181 4.346 -0.165 18411 6767 1 8 . 1 1 151 151 LYS C C 151 177.029 177.029 176.628 0.401 18411 6768 1 8 . 1 1 151 151 LYS CA C 151 57.490 57.490 56.169 1.321 18411 6769 1 8 . 1 1 151 151 LYS CB C 151 32.921 32.921 34.010 -1.089 18411 6770 1 8 . 1 1 151 151 LYS H H 151 7.466 7.466 7.761 -0.295 18411 6771 1 8 . 1 1 152 152 GLU N N 152 120.188 120.188 119.001 1.187 18411 6772 1 8 . 1 1 152 152 GLU HA H 152 4.264 4.264 4.068 0.196 18411 6773 1 8 . 1 1 152 152 GLU C C 152 177.259 177.259 175.670 1.589 18411 6774 1 8 . 1 1 152 152 GLU CA C 152 57.070 57.070 56.466 0.604 18411 6775 1 8 . 1 1 152 152 GLU CB C 152 30.385 30.385 29.792 0.593 18411 6776 1 8 . 1 1 152 152 GLU H H 152 7.820 7.820 8.740 -0.920 18411 6777 1 8 . 1 1 153 153 GLY N N 153 109.046 109.046 114.128 -5.082 18411 6778 1 8 . 1 1 153 153 GLY C C 153 174.204 174.204 174.598 -0.394 18411 6779 1 8 . 1 1 153 153 GLY CA C 153 45.327 45.327 45.414 -0.087 18411 6780 1 8 . 1 1 153 153 GLY H H 153 8.278 8.278 8.790 -0.512 18411 6781 1 8 . 1 1 158 158 HIS HA H 158 4.606 4.606 4.781 -0.175 18411 6782 1 8 . 1 1 158 158 HIS C C 158 174.423 174.423 174.613 -0.190 18411 6783 1 8 . 1 1 158 158 HIS CA C 158 56.235 56.235 56.031 0.204 18411 6784 1 8 . 1 1 158 158 HIS CB C 158 31.028 31.028 30.523 0.504 18411 6785 1 9 . 1 1 3 3 LEU HA H 3 3.930 3.930 4.771 -0.841 18411 6786 1 9 . 1 1 3 3 LEU CA C 3 58.669 58.669 54.013 4.656 18411 6787 1 9 . 1 1 3 3 LEU CB C 3 42.010 42.010 40.477 1.533 18411 6788 1 9 . 1 1 4 4 GLY C C 4 173.604 173.604 173.877 -0.273 18411 6789 1 9 . 1 1 4 4 GLY CA C 4 46.072 46.072 45.648 0.424 18411 6790 1 9 . 1 1 5 5 TYR N N 5 116.195 116.195 120.093 -3.898 18411 6791 1 9 . 1 1 5 5 TYR HA H 5 4.769 4.769 4.538 0.231 18411 6792 1 9 . 1 1 5 5 TYR C C 5 177.898 177.898 176.809 1.089 18411 6793 1 9 . 1 1 5 5 TYR CA C 5 60.102 60.102 58.410 1.692 18411 6794 1 9 . 1 1 5 5 TYR CB C 5 39.615 39.615 38.117 1.498 18411 6795 1 9 . 1 1 5 5 TYR H H 5 7.849 7.849 7.721 0.128 18411 6796 1 9 . 1 1 6 6 ILE N N 6 115.338 115.338 121.802 -6.464 18411 6797 1 9 . 1 1 6 6 ILE HA H 6 4.514 4.514 4.325 0.189 18411 6798 1 9 . 1 1 6 6 ILE C C 6 175.977 175.977 175.725 0.252 18411 6799 1 9 . 1 1 6 6 ILE CA C 6 61.623 61.623 62.687 -1.064 18411 6800 1 9 . 1 1 6 6 ILE CB C 6 38.270 38.270 39.007 -0.737 18411 6801 1 9 . 1 1 6 6 ILE H H 6 8.687 8.687 8.199 0.488 18411 6802 1 9 . 1 1 7 7 VAL N N 7 113.122 113.122 120.993 -7.871 18411 6803 1 9 . 1 1 7 7 VAL HA H 7 4.730 4.730 4.440 0.290 18411 6804 1 9 . 1 1 7 7 VAL C C 7 174.331 174.331 174.985 -0.654 18411 6805 1 9 . 1 1 7 7 VAL CA C 7 58.867 58.867 60.996 -2.129 18411 6806 1 9 . 1 1 7 7 VAL CB C 7 34.475 34.475 33.572 0.903 18411 6807 1 9 . 1 1 7 7 VAL H H 7 6.845 6.845 7.499 -0.654 18411 6808 1 9 . 1 1 8 8 ARG N N 8 117.597 117.597 125.147 -7.550 18411 6809 1 9 . 1 1 8 8 ARG HA H 8 4.539 4.539 4.685 -0.146 18411 6810 1 9 . 1 1 8 8 ARG C C 8 175.618 175.618 175.484 0.134 18411 6811 1 9 . 1 1 8 8 ARG CA C 8 53.717 53.717 53.605 0.112 18411 6812 1 9 . 1 1 8 8 ARG CB C 8 34.126 34.126 32.697 1.429 18411 6813 1 9 . 1 1 8 8 ARG H H 8 7.978 7.978 8.202 -0.224 18411 6814 1 9 . 1 1 9 9 ILE N N 9 118.377 118.377 121.307 -2.930 18411 6815 1 9 . 1 1 9 9 ILE HA H 9 3.465 3.465 3.860 -0.395 18411 6816 1 9 . 1 1 9 9 ILE C C 9 177.771 177.771 177.544 0.227 18411 6817 1 9 . 1 1 9 9 ILE CA C 9 62.350 62.350 62.898 -0.548 18411 6818 1 9 . 1 1 9 9 ILE CB C 9 37.049 37.049 37.513 -0.464 18411 6819 1 9 . 1 1 9 9 ILE H H 9 8.085 8.085 8.523 -0.438 18411 6820 1 9 . 1 1 10 10 GLY N N 10 115.204 115.204 115.635 -0.431 18411 6821 1 9 . 1 1 10 10 GLY C C 10 174.235 174.235 173.740 0.495 18411 6822 1 9 . 1 1 10 10 GLY CA C 10 44.763 44.763 44.811 -0.048 18411 6823 1 9 . 1 1 10 10 GLY H H 10 9.149 9.149 9.138 0.011 18411 6824 1 9 . 1 1 11 11 GLU N N 11 119.157 119.157 121.043 -1.886 18411 6825 1 9 . 1 1 11 11 GLU HA H 11 4.392 4.392 4.577 -0.185 18411 6826 1 9 . 1 1 11 11 GLU C C 11 176.729 176.729 175.718 1.011 18411 6827 1 9 . 1 1 11 11 GLU CA C 11 55.108 55.108 54.027 1.081 18411 6828 1 9 . 1 1 11 11 GLU CB C 11 31.473 31.473 30.901 0.572 18411 6829 1 9 . 1 1 11 11 GLU H H 11 7.631 7.631 7.626 0.005 18411 6830 1 9 . 1 1 12 12 MET N N 12 119.646 119.646 121.776 -2.130 18411 6831 1 9 . 1 1 12 12 MET HA H 12 4.593 4.593 4.542 0.051 18411 6832 1 9 . 1 1 12 12 MET C C 12 177.162 177.162 176.534 0.628 18411 6833 1 9 . 1 1 12 12 MET CA C 12 54.475 54.475 53.992 0.483 18411 6834 1 9 . 1 1 12 12 MET CB C 12 30.749 30.749 31.542 -0.793 18411 6835 1 9 . 1 1 12 12 MET H H 12 8.566 8.566 8.529 0.037 18411 6836 1 9 . 1 1 13 13 ALA N N 13 129.735 129.735 129.739 -0.004 18411 6837 1 9 . 1 1 13 13 ALA HA H 13 4.293 4.293 4.550 -0.257 18411 6838 1 9 . 1 1 13 13 ALA C C 13 175.992 175.992 175.649 0.343 18411 6839 1 9 . 1 1 13 13 ALA CA C 13 50.676 50.676 50.232 0.444 18411 6840 1 9 . 1 1 13 13 ALA CB C 13 18.125 18.125 18.760 -0.635 18411 6841 1 9 . 1 1 13 13 ALA H H 13 8.626 8.626 8.846 -0.220 18411 6842 1 9 . 1 1 14 14 PRO HA H 14 4.253 4.253 4.310 -0.057 18411 6843 1 9 . 1 1 14 14 PRO C C 14 176.066 176.066 175.461 0.605 18411 6844 1 9 . 1 1 14 14 PRO CA C 14 63.478 63.478 62.724 0.754 18411 6845 1 9 . 1 1 14 14 PRO CB C 14 32.987 32.987 32.205 0.782 18411 6846 1 9 . 1 1 15 15 ASP N N 15 123.075 123.075 122.140 0.935 18411 6847 1 9 . 1 1 15 15 ASP HA H 15 4.700 4.700 4.494 0.206 18411 6848 1 9 . 1 1 15 15 ASP C C 15 176.067 176.067 175.602 0.465 18411 6849 1 9 . 1 1 15 15 ASP CA C 15 53.628 53.628 54.751 -1.123 18411 6850 1 9 . 1 1 15 15 ASP CB C 15 41.613 41.613 41.454 0.159 18411 6851 1 9 . 1 1 15 15 ASP H H 15 8.373 8.373 8.434 -0.061 18411 6852 1 9 . 1 1 16 16 PHE N N 16 114.256 114.256 118.416 -4.160 18411 6853 1 9 . 1 1 16 16 PHE HA H 16 4.869 4.869 5.003 -0.134 18411 6854 1 9 . 1 1 16 16 PHE C C 16 173.028 173.028 173.434 -0.406 18411 6855 1 9 . 1 1 16 16 PHE CA C 16 56.721 56.721 55.463 1.258 18411 6856 1 9 . 1 1 16 16 PHE CB C 16 40.560 40.560 42.143 -1.583 18411 6857 1 9 . 1 1 16 16 PHE H H 16 7.950 7.950 7.638 0.312 18411 6858 1 9 . 1 1 17 17 THR N N 17 116.459 116.459 116.650 -0.191 18411 6859 1 9 . 1 1 17 17 THR HA H 17 5.244 5.244 5.489 -0.245 18411 6860 1 9 . 1 1 17 17 THR C C 17 172.722 172.722 173.591 -0.869 18411 6861 1 9 . 1 1 17 17 THR CA C 17 62.061 62.061 62.019 0.042 18411 6862 1 9 . 1 1 17 17 THR CB C 17 70.882 70.882 70.105 0.777 18411 6863 1 9 . 1 1 17 17 THR H H 17 8.596 8.596 8.591 0.005 18411 6864 1 9 . 1 1 18 18 ILE N N 18 128.165 128.165 127.575 0.590 18411 6865 1 9 . 1 1 18 18 ILE HA H 18 4.995 4.995 4.619 0.376 18411 6866 1 9 . 1 1 18 18 ILE C C 18 172.309 172.309 173.855 -1.546 18411 6867 1 9 . 1 1 18 18 ILE CA C 18 59.123 59.123 59.215 -0.091 18411 6868 1 9 . 1 1 18 18 ILE CB C 18 43.984 43.984 41.618 2.366 18411 6869 1 9 . 1 1 18 18 ILE H H 18 9.574 9.574 9.050 0.524 18411 6870 1 9 . 1 1 19 19 THR N N 19 124.473 124.473 124.444 0.029 18411 6871 1 9 . 1 1 19 19 THR HA H 19 4.821 4.821 4.631 0.190 18411 6872 1 9 . 1 1 19 19 THR C C 19 174.104 174.104 174.523 -0.419 18411 6873 1 9 . 1 1 19 19 THR CA C 19 62.316 62.316 62.808 -0.492 18411 6874 1 9 . 1 1 19 19 THR CB C 19 69.287 69.287 68.650 0.637 18411 6875 1 9 . 1 1 19 19 THR H H 19 9.081 9.081 8.779 0.302 18411 6876 1 9 . 1 1 20 20 LEU N N 20 125.167 125.167 127.525 -2.358 18411 6877 1 9 . 1 1 20 20 LEU HA H 20 5.082 5.082 4.768 0.314 18411 6878 1 9 . 1 1 20 20 LEU C C 20 181.023 181.023 179.413 1.610 18411 6879 1 9 . 1 1 20 20 LEU CA C 20 54.191 54.191 54.782 -0.591 18411 6880 1 9 . 1 1 20 20 LEU CB C 20 42.219 42.219 42.620 -0.401 18411 6881 1 9 . 1 1 20 20 LEU H H 20 9.227 9.227 8.994 0.233 18411 6882 1 9 . 1 1 21 21 THR N N 21 109.887 109.887 114.123 -4.236 18411 6883 1 9 . 1 1 21 21 THR HA H 21 3.831 3.831 3.998 -0.167 18411 6884 1 9 . 1 1 21 21 THR C C 21 174.716 174.716 175.132 -0.416 18411 6885 1 9 . 1 1 21 21 THR CA C 21 64.992 64.992 65.783 -0.791 18411 6886 1 9 . 1 1 21 21 THR CB C 21 68.529 68.529 68.655 -0.126 18411 6887 1 9 . 1 1 21 21 THR H H 21 8.603 8.603 8.590 0.013 18411 6888 1 9 . 1 1 22 22 ASP N N 22 117.311 117.311 118.052 -0.741 18411 6889 1 9 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.625 -0.031 18411 6890 1 9 . 1 1 22 22 ASP C C 22 177.771 177.771 176.902 0.869 18411 6891 1 9 . 1 1 22 22 ASP CA C 22 53.173 53.173 53.486 -0.313 18411 6892 1 9 . 1 1 22 22 ASP CB C 22 40.449 40.449 39.938 0.511 18411 6893 1 9 . 1 1 22 22 ASP H H 22 7.530 7.530 7.945 -0.415 18411 6894 1 9 . 1 1 23 23 GLY N N 23 108.847 108.847 109.071 -0.224 18411 6895 1 9 . 1 1 23 23 GLY C C 23 174.806 174.806 173.990 0.816 18411 6896 1 9 . 1 1 23 23 GLY CA C 23 45.028 45.028 44.936 0.092 18411 6897 1 9 . 1 1 23 23 GLY H H 23 8.203 8.203 7.980 0.223 18411 6898 1 9 . 1 1 24 24 LYS N N 24 122.092 122.092 121.919 0.173 18411 6899 1 9 . 1 1 24 24 LYS HA H 24 4.267 4.267 4.256 0.011 18411 6900 1 9 . 1 1 24 24 LYS C C 24 175.350 175.350 175.874 -0.524 18411 6901 1 9 . 1 1 24 24 LYS CA C 24 57.060 57.060 55.775 1.285 18411 6902 1 9 . 1 1 24 24 LYS CB C 24 33.271 33.271 32.232 1.039 18411 6903 1 9 . 1 1 24 24 LYS H H 24 7.881 7.881 8.007 -0.126 18411 6904 1 9 . 1 1 25 25 GLN N N 25 119.585 119.585 125.514 -5.929 18411 6905 1 9 . 1 1 25 25 GLN HA H 25 5.561 5.561 5.268 0.293 18411 6906 1 9 . 1 1 25 25 GLN C C 25 176.631 176.631 175.697 0.934 18411 6907 1 9 . 1 1 25 25 GLN CA C 25 54.572 54.572 54.962 -0.390 18411 6908 1 9 . 1 1 25 25 GLN CB C 25 31.621 31.621 29.654 1.967 18411 6909 1 9 . 1 1 25 25 GLN H H 25 8.365 8.365 8.661 -0.296 18411 6910 1 9 . 1 1 26 26 VAL N N 26 123.115 123.115 122.492 0.623 18411 6911 1 9 . 1 1 26 26 VAL HA H 26 4.466 4.466 4.567 -0.101 18411 6912 1 9 . 1 1 26 26 VAL C C 26 174.390 174.390 174.526 -0.136 18411 6913 1 9 . 1 1 26 26 VAL CA C 26 61.142 61.142 59.624 1.518 18411 6914 1 9 . 1 1 26 26 VAL CB C 26 35.962 35.962 33.613 2.349 18411 6915 1 9 . 1 1 26 26 VAL H H 26 9.069 9.069 8.788 0.281 18411 6916 1 9 . 1 1 27 27 THR N N 27 122.509 122.509 119.431 3.078 18411 6917 1 9 . 1 1 27 27 THR HA H 27 5.437 5.437 5.124 0.313 18411 6918 1 9 . 1 1 27 27 THR C C 27 176.330 176.330 175.938 0.392 18411 6919 1 9 . 1 1 27 27 THR CA C 27 60.068 60.068 60.504 -0.436 18411 6920 1 9 . 1 1 27 27 THR CB C 27 70.655 70.655 71.076 -0.421 18411 6921 1 9 . 1 1 27 27 THR H H 27 8.256 8.256 8.223 0.033 18411 6922 1 9 . 1 1 28 28 LEU N N 28 131.816 131.816 125.623 6.193 18411 6923 1 9 . 1 1 28 28 LEU HA H 28 3.607 3.607 3.775 -0.168 18411 6924 1 9 . 1 1 28 28 LEU C C 28 180.093 180.093 178.456 1.637 18411 6925 1 9 . 1 1 28 28 LEU CA C 28 59.264 59.264 57.784 1.480 18411 6926 1 9 . 1 1 28 28 LEU CB C 28 39.396 39.396 41.409 -2.013 18411 6927 1 9 . 1 1 28 28 LEU H H 28 8.311 8.311 8.368 -0.057 18411 6928 1 9 . 1 1 29 29 SER N N 29 114.727 114.727 114.755 -0.028 18411 6929 1 9 . 1 1 29 29 SER HA H 29 4.003 4.003 4.204 -0.201 18411 6930 1 9 . 1 1 29 29 SER C C 29 177.762 177.762 176.420 1.342 18411 6931 1 9 . 1 1 29 29 SER CA C 29 60.896 60.896 60.995 -0.099 18411 6932 1 9 . 1 1 29 29 SER CB C 29 61.091 61.091 62.562 -1.471 18411 6933 1 9 . 1 1 29 29 SER H H 29 9.491 9.491 8.060 1.431 18411 6934 1 9 . 1 1 30 30 SER N N 30 119.100 119.100 116.932 2.168 18411 6935 1 9 . 1 1 30 30 SER HA H 30 4.476 4.476 4.350 0.126 18411 6936 1 9 . 1 1 30 30 SER C C 30 175.104 175.104 174.756 0.348 18411 6937 1 9 . 1 1 30 30 SER CA C 30 60.661 60.661 60.275 0.386 18411 6938 1 9 . 1 1 30 30 SER CB C 30 63.174 63.174 63.560 -0.386 18411 6939 1 9 . 1 1 30 30 SER H H 30 7.878 7.878 7.819 0.059 18411 6940 1 9 . 1 1 31 31 LEU N N 31 121.415 121.415 120.438 0.977 18411 6941 1 9 . 1 1 31 31 LEU HA H 31 4.258 4.258 4.440 -0.182 18411 6942 1 9 . 1 1 31 31 LEU C C 31 175.710 175.710 176.090 -0.380 18411 6943 1 9 . 1 1 31 31 LEU CA C 31 53.804 53.804 53.726 0.078 18411 6944 1 9 . 1 1 31 31 LEU CB C 31 41.285 41.285 42.142 -0.857 18411 6945 1 9 . 1 1 31 31 LEU H H 31 8.026 8.026 7.588 0.438 18411 6946 1 9 . 1 1 32 32 ARG N N 32 119.061 119.061 119.990 -0.929 18411 6947 1 9 . 1 1 32 32 ARG HA H 32 4.411 4.411 4.173 0.238 18411 6948 1 9 . 1 1 32 32 ARG C C 32 177.585 177.585 176.992 0.593 18411 6949 1 9 . 1 1 32 32 ARG CA C 32 57.590 57.590 56.274 1.316 18411 6950 1 9 . 1 1 32 32 ARG CB C 32 29.497 29.497 29.790 -0.293 18411 6951 1 9 . 1 1 32 32 ARG H H 32 6.788 6.788 7.437 -0.649 18411 6952 1 9 . 1 1 33 33 GLY N N 33 114.033 114.033 112.205 1.828 18411 6953 1 9 . 1 1 33 33 GLY C C 33 173.456 173.456 173.539 -0.083 18411 6954 1 9 . 1 1 33 33 GLY CA C 33 44.684 44.684 45.365 -0.681 18411 6955 1 9 . 1 1 33 33 GLY H H 33 9.120 9.120 8.941 0.179 18411 6956 1 9 . 1 1 34 34 LYS N N 34 120.270 120.270 118.863 1.407 18411 6957 1 9 . 1 1 34 34 LYS HA H 34 4.606 4.606 4.839 -0.233 18411 6958 1 9 . 1 1 34 34 LYS C C 34 175.350 175.350 175.779 -0.429 18411 6959 1 9 . 1 1 34 34 LYS CA C 34 54.786 54.786 54.344 0.442 18411 6960 1 9 . 1 1 34 34 LYS CB C 34 34.125 34.125 34.477 -0.352 18411 6961 1 9 . 1 1 34 34 LYS H H 34 8.146 8.146 7.474 0.672 18411 6962 1 9 . 1 1 35 35 VAL N N 35 122.059 122.059 124.877 -2.818 18411 6963 1 9 . 1 1 35 35 VAL HA H 35 4.020 4.020 4.343 -0.323 18411 6964 1 9 . 1 1 35 35 VAL C C 35 174.699 174.699 174.298 0.401 18411 6965 1 9 . 1 1 35 35 VAL CA C 35 63.108 63.108 61.382 1.726 18411 6966 1 9 . 1 1 35 35 VAL CB C 35 33.022 33.022 32.472 0.550 18411 6967 1 9 . 1 1 35 35 VAL H H 35 8.757 8.757 8.974 -0.217 18411 6968 1 9 . 1 1 36 36 VAL N N 36 125.815 125.815 130.619 -4.804 18411 6969 1 9 . 1 1 36 36 VAL HA H 36 4.856 4.856 4.231 0.625 18411 6970 1 9 . 1 1 36 36 VAL C C 36 174.622 174.622 174.560 0.062 18411 6971 1 9 . 1 1 36 36 VAL CA C 36 60.078 60.078 61.173 -1.095 18411 6972 1 9 . 1 1 36 36 VAL CB C 36 35.605 35.605 31.248 4.357 18411 6973 1 9 . 1 1 36 36 VAL H H 36 8.485 8.485 8.470 0.015 18411 6974 1 9 . 1 1 37 37 MET N N 37 126.478 126.478 129.187 -2.709 18411 6975 1 9 . 1 1 37 37 MET HA H 37 5.383 5.383 4.956 0.427 18411 6976 1 9 . 1 1 37 37 MET C C 37 173.473 173.473 173.756 -0.283 18411 6977 1 9 . 1 1 37 37 MET CA C 37 53.661 53.661 54.363 -0.702 18411 6978 1 9 . 1 1 37 37 MET CB C 37 35.948 35.948 34.809 1.139 18411 6979 1 9 . 1 1 37 37 MET H H 37 8.694 8.694 9.006 -0.312 18411 6980 1 9 . 1 1 38 38 LEU N N 38 124.275 124.275 127.087 -2.812 18411 6981 1 9 . 1 1 38 38 LEU HA H 38 5.100 5.100 4.785 0.315 18411 6982 1 9 . 1 1 38 38 LEU C C 38 175.828 175.828 174.935 0.893 18411 6983 1 9 . 1 1 38 38 LEU CA C 38 52.144 52.144 53.788 -1.644 18411 6984 1 9 . 1 1 38 38 LEU CB C 38 42.898 42.898 43.544 -0.646 18411 6985 1 9 . 1 1 38 38 LEU H H 38 9.181 9.181 9.229 -0.048 18411 6986 1 9 . 1 1 39 39 GLN N N 39 124.390 124.390 123.526 0.864 18411 6987 1 9 . 1 1 39 39 GLN HA H 39 5.369 5.369 4.734 0.635 18411 6988 1 9 . 1 1 39 39 GLN C C 39 175.696 175.696 174.109 1.587 18411 6989 1 9 . 1 1 39 39 GLN CA C 39 54.025 54.025 53.972 0.053 18411 6990 1 9 . 1 1 39 39 GLN CB C 39 28.735 28.735 31.574 -2.839 18411 6991 1 9 . 1 1 39 39 GLN H H 39 8.325 8.325 8.660 -0.335 18411 6992 1 9 . 1 1 40 40 PHE N N 40 128.800 128.800 129.110 -0.310 18411 6993 1 9 . 1 1 40 40 PHE HA H 40 5.182 5.182 5.345 -0.163 18411 6994 1 9 . 1 1 40 40 PHE C C 40 175.432 175.432 175.224 0.208 18411 6995 1 9 . 1 1 40 40 PHE CA C 40 59.370 59.370 57.419 1.951 18411 6996 1 9 . 1 1 40 40 PHE CB C 40 39.256 39.256 39.279 -0.023 18411 6997 1 9 . 1 1 40 40 PHE H H 40 8.899 8.899 9.230 -0.331 18411 6998 1 9 . 1 1 41 41 THR N N 41 117.616 117.616 117.088 0.528 18411 6999 1 9 . 1 1 41 41 THR HA H 41 5.274 5.274 4.763 0.511 18411 7000 1 9 . 1 1 41 41 THR C C 41 170.795 170.795 172.328 -1.533 18411 7001 1 9 . 1 1 41 41 THR CA C 41 59.448 59.448 58.850 0.598 18411 7002 1 9 . 1 1 41 41 THR CB C 41 70.892 70.892 71.593 -0.701 18411 7003 1 9 . 1 1 41 41 THR H H 41 8.589 8.589 8.779 -0.190 18411 7004 1 9 . 1 1 42 42 ALA N N 42 122.005 122.005 122.964 -0.959 18411 7005 1 9 . 1 1 42 42 ALA HA H 42 4.162 4.162 4.639 -0.477 18411 7006 1 9 . 1 1 42 42 ALA C C 42 177.618 177.618 176.994 0.624 18411 7007 1 9 . 1 1 42 42 ALA CA C 42 52.454 52.454 50.282 2.172 18411 7008 1 9 . 1 1 42 42 ALA CB C 42 20.704 20.704 21.153 -0.449 18411 7009 1 9 . 1 1 42 42 ALA H H 42 7.201 7.201 8.101 -0.900 18411 7010 1 9 . 1 1 43 43 SER N N 43 117.426 117.426 117.760 -0.334 18411 7011 1 9 . 1 1 43 43 SER HA H 43 1.542 1.542 2.744 -1.202 18411 7012 1 9 . 1 1 43 43 SER C C 43 174.845 174.845 173.989 0.856 18411 7013 1 9 . 1 1 43 43 SER CA C 43 60.202 60.202 60.149 0.053 18411 7014 1 9 . 1 1 43 43 SER CB C 43 63.040 63.040 63.122 -0.082 18411 7015 1 9 . 1 1 43 43 SER H H 43 9.472 9.472 8.223 1.249 18411 7016 1 9 . 1 1 44 44 TRP N N 44 116.512 116.512 115.680 0.832 18411 7017 1 9 . 1 1 44 44 TRP HA H 44 4.495 4.495 4.783 -0.288 18411 7018 1 9 . 1 1 44 44 TRP C C 44 176.297 176.297 175.220 1.077 18411 7019 1 9 . 1 1 44 44 TRP CA C 44 53.405 53.405 53.762 -0.357 18411 7020 1 9 . 1 1 44 44 TRP CB C 44 29.450 29.450 28.898 0.552 18411 7021 1 9 . 1 1 44 44 TRP H H 44 6.345 6.345 6.201 0.144 18411 7022 1 9 . 1 1 45 45 CYS N N 45 125.015 125.015 122.189 2.826 18411 7023 1 9 . 1 1 45 45 CYS HA H 45 4.501 4.501 4.645 -0.144 18411 7024 1 9 . 1 1 45 45 CYS C C 45 176.409 176.409 175.756 0.653 18411 7025 1 9 . 1 1 45 45 CYS CA C 45 58.904 58.904 57.761 1.143 18411 7026 1 9 . 1 1 45 45 CYS CB C 45 28.203 28.203 28.882 -0.679 18411 7027 1 9 . 1 1 45 45 CYS H H 45 6.982 6.982 7.521 -0.539 18411 7028 1 9 . 1 1 46 46 GLY CA C 46 47.225 47.225 46.453 0.772 18411 7029 1 9 . 1 1 47 47 VAL HA H 47 3.804 3.804 3.758 0.046 18411 7030 1 9 . 1 1 47 47 VAL CA C 47 66.661 66.661 65.662 0.999 18411 7031 1 9 . 1 1 47 47 VAL CB C 47 31.506 31.506 31.634 -0.128 18411 7032 1 9 . 1 1 48 48 CYS HA H 48 3.875 3.875 4.251 -0.376 18411 7033 1 9 . 1 1 48 48 CYS C C 48 177.961 177.961 176.596 1.365 18411 7034 1 9 . 1 1 48 48 CYS CA C 48 65.053 65.053 62.687 2.366 18411 7035 1 9 . 1 1 48 48 CYS CB C 48 28.741 28.741 27.306 1.435 18411 7036 1 9 . 1 1 49 49 ARG N N 49 115.039 115.039 117.825 -2.786 18411 7037 1 9 . 1 1 49 49 ARG HA H 49 3.898 3.898 4.112 -0.214 18411 7038 1 9 . 1 1 49 49 ARG C C 49 177.871 177.871 176.714 1.157 18411 7039 1 9 . 1 1 49 49 ARG CA C 49 59.837 59.837 58.091 1.746 18411 7040 1 9 . 1 1 49 49 ARG CB C 49 30.585 30.585 29.753 0.832 18411 7041 1 9 . 1 1 49 49 ARG H H 49 7.658 7.658 7.501 0.157 18411 7042 1 9 . 1 1 50 50 LYS N N 50 117.909 117.909 118.179 -0.270 18411 7043 1 9 . 1 1 50 50 LYS HA H 50 4.098 4.098 4.110 -0.012 18411 7044 1 9 . 1 1 50 50 LYS C C 50 177.723 177.723 177.454 0.269 18411 7045 1 9 . 1 1 50 50 LYS CA C 50 58.198 58.198 58.436 -0.238 18411 7046 1 9 . 1 1 50 50 LYS CB C 50 32.803 32.803 32.447 0.356 18411 7047 1 9 . 1 1 50 50 LYS H H 50 7.385 7.385 7.447 -0.062 18411 7048 1 9 . 1 1 51 51 GLU N N 51 117.196 117.196 120.256 -3.060 18411 7049 1 9 . 1 1 51 51 GLU HA H 51 3.453 3.453 3.846 -0.393 18411 7050 1 9 . 1 1 51 51 GLU C C 51 179.194 179.194 178.961 0.233 18411 7051 1 9 . 1 1 51 51 GLU CA C 51 57.754 57.754 59.603 -1.849 18411 7052 1 9 . 1 1 51 51 GLU CB C 51 29.825 29.825 29.676 0.149 18411 7053 1 9 . 1 1 51 51 GLU H H 51 7.764 7.764 7.489 0.275 18411 7054 1 9 . 1 1 52 52 MET N N 52 118.785 118.785 117.741 1.044 18411 7055 1 9 . 1 1 52 52 MET HA H 52 3.979 3.979 4.608 -0.629 18411 7056 1 9 . 1 1 52 52 MET C C 52 174.346 174.346 176.242 -1.896 18411 7057 1 9 . 1 1 52 52 MET CA C 52 62.384 62.384 61.516 0.868 18411 7058 1 9 . 1 1 52 52 MET CB C 52 32.805 32.805 30.833 1.972 18411 7059 1 9 . 1 1 52 52 MET H H 52 8.100 8.100 8.644 -0.544 18411 7060 1 9 . 1 1 53 53 PRO HA H 53 4.299 4.299 4.243 0.056 18411 7061 1 9 . 1 1 53 53 PRO C C 53 179.242 179.242 179.428 -0.186 18411 7062 1 9 . 1 1 53 53 PRO CA C 53 65.708 65.708 66.327 -0.619 18411 7063 1 9 . 1 1 53 53 PRO CB C 53 31.570 31.570 31.479 0.091 18411 7064 1 9 . 1 1 54 54 PHE N N 54 116.067 116.067 117.343 -1.276 18411 7065 1 9 . 1 1 54 54 PHE HA H 54 4.372 4.372 4.248 0.124 18411 7066 1 9 . 1 1 54 54 PHE C C 54 178.283 178.283 178.159 0.124 18411 7067 1 9 . 1 1 54 54 PHE CA C 54 61.249 61.249 62.939 -1.690 18411 7068 1 9 . 1 1 54 54 PHE CB C 54 38.366 38.366 38.472 -0.106 18411 7069 1 9 . 1 1 54 54 PHE H H 54 7.251 7.251 7.937 -0.686 18411 7070 1 9 . 1 1 55 55 ILE N N 55 122.051 122.051 120.016 2.035 18411 7071 1 9 . 1 1 55 55 ILE HA H 55 3.746 3.746 3.974 -0.228 18411 7072 1 9 . 1 1 55 55 ILE C C 55 179.005 179.005 178.094 0.911 18411 7073 1 9 . 1 1 55 55 ILE CA C 55 66.678 66.678 66.086 0.592 18411 7074 1 9 . 1 1 55 55 ILE CB C 55 37.449 37.449 37.885 -0.436 18411 7075 1 9 . 1 1 55 55 ILE H H 55 7.935 7.935 9.040 -1.105 18411 7076 1 9 . 1 1 56 56 GLU N N 56 120.941 120.941 120.982 -0.041 18411 7077 1 9 . 1 1 56 56 GLU HA H 56 4.578 4.578 4.313 0.265 18411 7078 1 9 . 1 1 56 56 GLU C C 56 177.034 177.034 178.334 -1.300 18411 7079 1 9 . 1 1 56 56 GLU CA C 56 59.607 59.607 60.151 -0.545 18411 7080 1 9 . 1 1 56 56 GLU CB C 56 29.640 29.640 29.309 0.331 18411 7081 1 9 . 1 1 56 56 GLU H H 56 8.657 8.657 8.790 -0.133 18411 7082 1 9 . 1 1 57 57 LYS N N 57 114.712 114.712 118.294 -3.582 18411 7083 1 9 . 1 1 57 57 LYS HA H 57 4.165 4.165 4.069 0.096 18411 7084 1 9 . 1 1 57 57 LYS C C 57 177.831 177.831 179.455 -1.624 18411 7085 1 9 . 1 1 57 57 LYS CA C 57 59.905 59.905 59.508 0.397 18411 7086 1 9 . 1 1 57 57 LYS CB C 57 33.873 33.873 32.650 1.223 18411 7087 1 9 . 1 1 57 57 LYS H H 57 7.719 7.719 8.187 -0.468 18411 7088 1 9 . 1 1 58 58 ASP N N 58 114.953 114.953 116.471 -1.518 18411 7089 1 9 . 1 1 58 58 ASP HA H 58 4.843 4.843 4.828 0.015 18411 7090 1 9 . 1 1 58 58 ASP C C 58 176.515 176.515 176.681 -0.166 18411 7091 1 9 . 1 1 58 58 ASP CA C 58 56.125 56.125 55.125 1.000 18411 7092 1 9 . 1 1 58 58 ASP CB C 58 42.087 42.087 42.358 -0.271 18411 7093 1 9 . 1 1 58 58 ASP H H 58 8.783 8.783 8.561 0.222 18411 7094 1 9 . 1 1 59 59 ILE N N 59 115.807 115.807 119.183 -3.376 18411 7095 1 9 . 1 1 59 59 ILE HA H 59 4.268 4.268 4.314 -0.046 18411 7096 1 9 . 1 1 59 59 ILE C C 59 176.369 176.369 176.760 -0.391 18411 7097 1 9 . 1 1 59 59 ILE CA C 59 63.757 63.757 61.340 2.417 18411 7098 1 9 . 1 1 59 59 ILE CB C 59 40.396 40.396 39.392 1.004 18411 7099 1 9 . 1 1 59 59 ILE H H 59 7.455 7.455 7.906 -0.451 18411 7100 1 9 . 1 1 60 60 TRP N N 60 120.937 120.937 122.328 -1.391 18411 7101 1 9 . 1 1 60 60 TRP HA H 60 4.727 4.727 4.347 0.380 18411 7102 1 9 . 1 1 60 60 TRP C C 60 177.428 177.428 178.625 -1.197 18411 7103 1 9 . 1 1 60 60 TRP CA C 60 60.644 60.644 60.736 -0.092 18411 7104 1 9 . 1 1 60 60 TRP CB C 60 30.907 30.907 30.538 0.369 18411 7105 1 9 . 1 1 60 60 TRP H H 60 9.012 9.012 8.727 0.285 18411 7106 1 9 . 1 1 61 61 LEU N N 61 113.624 113.624 117.910 -4.286 18411 7107 1 9 . 1 1 61 61 LEU HA H 61 3.572 3.572 3.711 -0.139 18411 7108 1 9 . 1 1 61 61 LEU C C 61 179.473 179.473 178.632 0.841 18411 7109 1 9 . 1 1 61 61 LEU CA C 61 57.569 57.569 57.137 0.432 18411 7110 1 9 . 1 1 61 61 LEU CB C 61 41.040 41.040 40.543 0.497 18411 7111 1 9 . 1 1 61 61 LEU H H 61 9.210 9.210 8.250 0.960 18411 7112 1 9 . 1 1 62 62 LYS N N 62 112.991 112.991 115.616 -2.625 18411 7113 1 9 . 1 1 62 62 LYS HA H 62 3.889 3.889 3.852 0.037 18411 7114 1 9 . 1 1 62 62 LYS C C 62 178.111 178.111 176.856 1.255 18411 7115 1 9 . 1 1 62 62 LYS CA C 62 56.667 56.667 58.021 -1.354 18411 7116 1 9 . 1 1 62 62 LYS CB C 62 31.651 31.651 31.901 -0.250 18411 7117 1 9 . 1 1 62 62 LYS H H 62 6.216 6.216 8.017 -1.801 18411 7118 1 9 . 1 1 63 63 HIS N N 63 114.656 114.656 113.308 1.348 18411 7119 1 9 . 1 1 63 63 HIS HA H 63 4.943 4.943 4.493 0.450 18411 7120 1 9 . 1 1 63 63 HIS C C 63 177.057 177.057 175.437 1.620 18411 7121 1 9 . 1 1 63 63 HIS CA C 63 56.133 56.133 55.842 0.291 18411 7122 1 9 . 1 1 63 63 HIS CB C 63 33.235 33.235 32.260 0.975 18411 7123 1 9 . 1 1 63 63 HIS H H 63 7.067 7.067 7.601 -0.534 18411 7124 1 9 . 1 1 64 64 LYS N N 64 119.155 119.155 118.109 1.046 18411 7125 1 9 . 1 1 64 64 LYS HA H 64 3.513 3.513 2.751 0.762 18411 7126 1 9 . 1 1 64 64 LYS C C 64 177.074 177.074 176.895 0.179 18411 7127 1 9 . 1 1 64 64 LYS CA C 64 59.166 59.166 58.962 0.203 18411 7128 1 9 . 1 1 64 64 LYS CB C 64 28.740 28.740 30.305 -1.565 18411 7129 1 9 . 1 1 64 64 LYS H H 64 8.114 8.114 8.223 -0.109 18411 7130 1 9 . 1 1 65 65 ASP N N 65 117.882 117.882 118.242 -0.360 18411 7131 1 9 . 1 1 65 65 ASP HA H 65 4.714 4.714 4.495 0.219 18411 7132 1 9 . 1 1 65 65 ASP C C 65 175.195 175.195 178.484 -3.289 18411 7133 1 9 . 1 1 65 65 ASP CA C 65 54.204 54.204 55.196 -0.992 18411 7134 1 9 . 1 1 65 65 ASP CB C 65 40.564 40.564 41.418 -0.854 18411 7135 1 9 . 1 1 65 65 ASP H H 65 7.963 7.963 8.063 -0.100 18411 7136 1 9 . 1 1 66 66 ASN N N 66 122.091 122.091 118.815 3.276 18411 7137 1 9 . 1 1 66 66 ASN HA H 66 4.659 4.659 4.138 0.521 18411 7138 1 9 . 1 1 66 66 ASN C C 66 176.046 176.046 174.679 1.367 18411 7139 1 9 . 1 1 66 66 ASN CA C 66 52.799 52.799 55.583 -2.784 18411 7140 1 9 . 1 1 66 66 ASN CB C 66 39.054 39.054 37.384 1.670 18411 7141 1 9 . 1 1 66 66 ASN H H 66 8.184 8.184 8.482 -0.298 18411 7142 1 9 . 1 1 67 67 ALA N N 67 128.893 128.893 120.749 8.144 18411 7143 1 9 . 1 1 67 67 ALA HA H 67 4.295 4.295 4.196 0.099 18411 7144 1 9 . 1 1 67 67 ALA C C 67 177.886 177.886 175.447 2.439 18411 7145 1 9 . 1 1 67 67 ALA CA C 67 54.049 54.049 52.966 1.083 18411 7146 1 9 . 1 1 67 67 ALA CB C 67 18.549 18.549 19.835 -1.286 18411 7147 1 9 . 1 1 67 67 ALA H H 67 8.806 8.806 8.384 0.422 18411 7148 1 9 . 1 1 68 68 ASP N N 68 116.612 116.612 116.002 0.610 18411 7149 1 9 . 1 1 68 68 ASP HA H 68 4.823 4.823 4.944 -0.121 18411 7150 1 9 . 1 1 68 68 ASP C C 68 173.310 173.310 174.866 -1.556 18411 7151 1 9 . 1 1 68 68 ASP CA C 68 54.202 54.202 53.466 0.736 18411 7152 1 9 . 1 1 68 68 ASP CB C 68 40.892 40.892 41.270 -0.378 18411 7153 1 9 . 1 1 68 68 ASP H H 68 8.759 8.759 7.964 0.795 18411 7154 1 9 . 1 1 69 69 PHE N N 69 119.640 119.640 122.283 -2.643 18411 7155 1 9 . 1 1 69 69 PHE HA H 69 5.741 5.741 5.233 0.508 18411 7156 1 9 . 1 1 69 69 PHE C C 69 173.860 173.860 173.013 0.847 18411 7157 1 9 . 1 1 69 69 PHE CA C 69 56.192 56.192 56.403 -0.211 18411 7158 1 9 . 1 1 69 69 PHE CB C 69 43.496 43.496 43.010 0.486 18411 7159 1 9 . 1 1 69 69 PHE H H 69 7.912 7.912 7.870 0.042 18411 7160 1 9 . 1 1 70 70 ALA N N 70 130.226 130.226 129.011 1.215 18411 7161 1 9 . 1 1 70 70 ALA HA H 70 4.321 4.321 4.825 -0.504 18411 7162 1 9 . 1 1 70 70 ALA C C 70 171.945 171.945 174.552 -2.607 18411 7163 1 9 . 1 1 70 70 ALA CA C 70 51.573 51.573 50.359 1.214 18411 7164 1 9 . 1 1 70 70 ALA CB C 70 23.273 23.273 22.664 0.609 18411 7165 1 9 . 1 1 70 70 ALA H H 70 8.298 8.298 8.389 -0.091 18411 7166 1 9 . 1 1 71 71 LEU N N 71 122.090 122.090 124.404 -2.314 18411 7167 1 9 . 1 1 71 71 LEU HA H 71 5.120 5.120 5.372 -0.252 18411 7168 1 9 . 1 1 71 71 LEU C C 71 174.836 174.836 175.319 -0.483 18411 7169 1 9 . 1 1 71 71 LEU CA C 71 53.348 53.348 53.986 -0.638 18411 7170 1 9 . 1 1 71 71 LEU CB C 71 46.617 46.617 45.314 1.303 18411 7171 1 9 . 1 1 71 71 LEU H H 71 7.217 7.217 8.582 -1.365 18411 7172 1 9 . 1 1 72 72 ILE N N 72 123.189 123.189 124.983 -1.794 18411 7173 1 9 . 1 1 72 72 ILE HA H 72 4.336 4.336 4.446 -0.110 18411 7174 1 9 . 1 1 72 72 ILE C C 72 175.377 175.377 174.896 0.481 18411 7175 1 9 . 1 1 72 72 ILE CA C 72 60.236 60.236 59.986 0.250 18411 7176 1 9 . 1 1 72 72 ILE CB C 72 42.355 42.355 40.395 1.960 18411 7177 1 9 . 1 1 72 72 ILE H H 72 8.211 8.211 8.826 -0.615 18411 7178 1 9 . 1 1 73 73 GLY N N 73 114.189 114.189 115.738 -1.549 18411 7179 1 9 . 1 1 73 73 GLY C C 73 172.626 172.626 173.093 -0.467 18411 7180 1 9 . 1 1 73 73 GLY CA C 73 44.213 44.213 44.214 -0.001 18411 7181 1 9 . 1 1 73 73 GLY H H 73 9.202 9.202 8.710 0.492 18411 7182 1 9 . 1 1 74 74 ILE N N 74 126.577 126.577 128.230 -1.653 18411 7183 1 9 . 1 1 74 74 ILE HA H 74 3.873 3.873 4.533 -0.660 18411 7184 1 9 . 1 1 74 74 ILE C C 74 174.792 174.792 174.673 0.119 18411 7185 1 9 . 1 1 74 74 ILE CA C 74 61.660 61.660 60.730 0.930 18411 7186 1 9 . 1 1 74 74 ILE CB C 74 37.394 37.394 38.634 -1.240 18411 7187 1 9 . 1 1 74 74 ILE H H 74 9.279 9.279 9.241 0.038 18411 7188 1 9 . 1 1 75 75 ASP N N 75 129.040 129.040 129.321 -0.281 18411 7189 1 9 . 1 1 75 75 ASP HA H 75 5.213 5.213 4.964 0.249 18411 7190 1 9 . 1 1 75 75 ASP C C 75 175.696 175.696 174.848 0.848 18411 7191 1 9 . 1 1 75 75 ASP CA C 75 52.425 52.425 53.148 -0.723 18411 7192 1 9 . 1 1 75 75 ASP CB C 75 41.673 41.673 42.888 -1.215 18411 7193 1 9 . 1 1 75 75 ASP H H 75 8.592 8.592 8.833 -0.241 18411 7194 1 9 . 1 1 76 76 ARG N N 76 128.762 128.762 126.013 2.749 18411 7195 1 9 . 1 1 76 76 ARG HA H 76 4.346 4.346 4.179 0.167 18411 7196 1 9 . 1 1 76 76 ARG C C 76 174.562 174.562 177.018 -2.456 18411 7197 1 9 . 1 1 76 76 ARG CA C 76 58.885 58.885 56.798 2.087 18411 7198 1 9 . 1 1 76 76 ARG CB C 76 32.732 32.732 31.526 1.206 18411 7199 1 9 . 1 1 76 76 ARG H H 76 8.842 8.842 8.032 0.810 18411 7200 1 9 . 1 1 77 77 ASP N N 77 128.451 128.451 124.116 4.335 18411 7201 1 9 . 1 1 77 77 ASP HA H 77 4.473 4.473 4.323 0.150 18411 7202 1 9 . 1 1 77 77 ASP C C 77 173.969 173.969 176.251 -2.282 18411 7203 1 9 . 1 1 77 77 ASP CA C 77 56.139 56.139 57.472 -1.333 18411 7204 1 9 . 1 1 77 77 ASP CB C 77 42.541 42.541 40.001 2.540 18411 7205 1 9 . 1 1 77 77 ASP H H 77 8.256 8.256 9.203 -0.947 18411 7206 1 9 . 1 1 78 78 GLU N N 78 114.796 114.796 121.471 -6.675 18411 7207 1 9 . 1 1 78 78 GLU HA H 78 5.060 5.060 4.534 0.526 18411 7208 1 9 . 1 1 78 78 GLU C C 78 174.225 174.225 175.189 -0.964 18411 7209 1 9 . 1 1 78 78 GLU CA C 78 54.220 54.220 55.433 -1.213 18411 7210 1 9 . 1 1 78 78 GLU CB C 78 32.842 32.842 29.529 3.313 18411 7211 1 9 . 1 1 78 78 GLU H H 78 8.010 8.010 8.147 -0.137 18411 7212 1 9 . 1 1 79 79 PRO HA H 79 4.579 4.579 4.537 0.042 18411 7213 1 9 . 1 1 79 79 PRO C C 79 177.508 177.508 177.902 -0.394 18411 7214 1 9 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.453 -0.386 18411 7215 1 9 . 1 1 79 79 PRO CB C 79 33.096 33.096 32.638 0.458 18411 7216 1 9 . 1 1 80 80 LEU N N 80 122.209 122.209 120.762 1.447 18411 7217 1 9 . 1 1 80 80 LEU HA H 80 3.927 3.927 3.920 0.007 18411 7218 1 9 . 1 1 80 80 LEU C C 80 177.847 177.847 178.752 -0.905 18411 7219 1 9 . 1 1 80 80 LEU CA C 80 59.188 59.188 59.525 -0.337 18411 7220 1 9 . 1 1 80 80 LEU CB C 80 42.001 42.001 41.023 0.978 18411 7221 1 9 . 1 1 80 80 LEU H H 80 8.943 8.943 8.441 0.502 18411 7222 1 9 . 1 1 81 81 GLU N N 81 115.361 115.361 117.787 -2.426 18411 7223 1 9 . 1 1 81 81 GLU HA H 81 3.999 3.999 4.070 -0.071 18411 7224 1 9 . 1 1 81 81 GLU C C 81 180.044 180.044 178.874 1.170 18411 7225 1 9 . 1 1 81 81 GLU CA C 81 60.552 60.552 59.156 1.397 18411 7226 1 9 . 1 1 81 81 GLU CB C 81 28.723 28.723 28.203 0.520 18411 7227 1 9 . 1 1 81 81 GLU H H 81 9.534 9.534 8.925 0.609 18411 7228 1 9 . 1 1 82 82 LYS N N 82 118.582 118.582 119.969 -1.387 18411 7229 1 9 . 1 1 82 82 LYS HA H 82 4.183 4.183 4.109 0.074 18411 7230 1 9 . 1 1 82 82 LYS C C 82 179.226 179.226 178.580 0.646 18411 7231 1 9 . 1 1 82 82 LYS CA C 82 58.248 58.248 58.608 -0.360 18411 7232 1 9 . 1 1 82 82 LYS CB C 82 32.912 32.912 31.799 1.113 18411 7233 1 9 . 1 1 82 82 LYS H H 82 7.332 7.332 7.471 -0.139 18411 7234 1 9 . 1 1 83 83 VAL N N 83 122.971 122.971 120.723 2.248 18411 7235 1 9 . 1 1 83 83 VAL HA H 83 3.554 3.554 3.924 -0.370 18411 7236 1 9 . 1 1 83 83 VAL C C 83 178.331 178.331 178.814 -0.483 18411 7237 1 9 . 1 1 83 83 VAL CA C 83 67.063 67.063 65.989 1.074 18411 7238 1 9 . 1 1 83 83 VAL CB C 83 31.497 31.497 31.052 0.445 18411 7239 1 9 . 1 1 83 83 VAL H H 83 7.743 7.743 7.790 -0.047 18411 7240 1 9 . 1 1 84 84 LEU N N 84 119.209 119.209 119.892 -0.683 18411 7241 1 9 . 1 1 84 84 LEU HA H 84 4.030 4.030 4.011 0.019 18411 7242 1 9 . 1 1 84 84 LEU C C 84 180.647 180.647 179.223 1.424 18411 7243 1 9 . 1 1 84 84 LEU CA C 84 57.975 57.975 57.892 0.083 18411 7244 1 9 . 1 1 84 84 LEU CB C 84 42.010 42.010 40.108 1.902 18411 7245 1 9 . 1 1 84 84 LEU H H 84 8.706 8.706 8.742 -0.036 18411 7246 1 9 . 1 1 85 85 ALA N N 85 120.801 120.801 122.271 -1.470 18411 7247 1 9 . 1 1 85 85 ALA HA H 85 4.198 4.198 4.082 0.116 18411 7248 1 9 . 1 1 85 85 ALA C C 85 180.253 180.253 179.845 0.408 18411 7249 1 9 . 1 1 85 85 ALA CA C 85 54.947 54.947 54.948 -0.001 18411 7250 1 9 . 1 1 85 85 ALA CB C 85 17.973 17.973 18.293 -0.320 18411 7251 1 9 . 1 1 85 85 ALA H H 85 7.440 7.440 7.685 -0.245 18411 7252 1 9 . 1 1 86 86 PHE N N 86 123.035 123.035 119.252 3.783 18411 7253 1 9 . 1 1 86 86 PHE HA H 86 4.905 4.905 4.078 0.827 18411 7254 1 9 . 1 1 86 86 PHE C C 86 179.015 179.015 176.739 2.276 18411 7255 1 9 . 1 1 86 86 PHE CA C 86 56.648 56.648 60.908 -4.260 18411 7256 1 9 . 1 1 86 86 PHE CB C 86 39.249 39.249 39.332 -0.083 18411 7257 1 9 . 1 1 86 86 PHE H H 86 8.040 8.040 8.298 -0.258 18411 7258 1 9 . 1 1 87 87 ALA N N 87 123.932 123.932 120.335 3.597 18411 7259 1 9 . 1 1 87 87 ALA HA H 87 3.480 3.480 3.926 -0.446 18411 7260 1 9 . 1 1 87 87 ALA C C 87 179.800 179.800 179.686 0.114 18411 7261 1 9 . 1 1 87 87 ALA CA C 87 55.183 55.183 54.257 0.926 18411 7262 1 9 . 1 1 87 87 ALA CB C 87 17.602 17.602 18.602 -1.000 18411 7263 1 9 . 1 1 87 87 ALA H H 87 8.453 8.453 7.923 0.530 18411 7264 1 9 . 1 1 88 88 LYS N N 88 116.535 116.535 117.976 -1.441 18411 7265 1 9 . 1 1 88 88 LYS HA H 88 4.030 4.030 3.936 0.094 18411 7266 1 9 . 1 1 88 88 LYS C C 88 179.562 179.562 178.166 1.396 18411 7267 1 9 . 1 1 88 88 LYS CA C 88 59.063 59.063 58.777 0.286 18411 7268 1 9 . 1 1 88 88 LYS CB C 88 32.466 32.466 32.253 0.213 18411 7269 1 9 . 1 1 88 88 LYS H H 88 7.664 7.664 7.962 -0.298 18411 7270 1 9 . 1 1 89 89 SER N N 89 113.619 113.619 110.776 2.843 18411 7271 1 9 . 1 1 89 89 SER HA H 89 4.271 4.271 4.281 -0.010 18411 7272 1 9 . 1 1 89 89 SER C C 89 177.004 177.004 174.581 2.423 18411 7273 1 9 . 1 1 89 89 SER CA C 89 61.139 61.139 59.541 1.598 18411 7274 1 9 . 1 1 89 89 SER CB C 89 63.327 63.327 63.343 -0.016 18411 7275 1 9 . 1 1 89 89 SER H H 89 8.417 8.417 7.589 0.828 18411 7276 1 9 . 1 1 90 90 THR N N 90 109.601 109.601 108.287 1.314 18411 7277 1 9 . 1 1 90 90 THR HA H 90 4.287 4.287 4.460 -0.173 18411 7278 1 9 . 1 1 90 90 THR C C 90 176.074 176.074 175.552 0.522 18411 7279 1 9 . 1 1 90 90 THR CA C 90 62.926 62.926 60.862 2.064 18411 7280 1 9 . 1 1 90 90 THR CB C 90 70.563 70.563 70.123 0.440 18411 7281 1 9 . 1 1 90 90 THR H H 90 7.710 7.710 7.430 0.280 18411 7282 1 9 . 1 1 91 91 GLY N N 91 110.243 110.243 111.091 -0.848 18411 7283 1 9 . 1 1 91 91 GLY C C 91 174.815 174.815 173.995 0.820 18411 7284 1 9 . 1 1 91 91 GLY CA C 91 46.042 46.042 45.551 0.491 18411 7285 1 9 . 1 1 91 91 GLY H H 91 7.609 7.609 7.645 -0.036 18411 7286 1 9 . 1 1 92 92 VAL N N 92 112.099 112.099 123.055 -10.956 18411 7287 1 9 . 1 1 92 92 VAL HA H 92 4.309 4.309 3.673 0.636 18411 7288 1 9 . 1 1 92 92 VAL C C 92 178.372 178.372 177.029 1.343 18411 7289 1 9 . 1 1 92 92 VAL CA C 92 60.696 60.696 63.248 -2.551 18411 7290 1 9 . 1 1 92 92 VAL CB C 92 32.337 32.337 30.491 1.846 18411 7291 1 9 . 1 1 92 92 VAL H H 92 7.046 7.046 7.716 -0.670 18411 7292 1 9 . 1 1 93 93 THR N N 93 114.289 114.289 116.056 -1.767 18411 7293 1 9 . 1 1 93 93 THR HA H 93 4.457 4.457 4.213 0.244 18411 7294 1 9 . 1 1 93 93 THR C C 93 175.115 175.115 174.329 0.786 18411 7295 1 9 . 1 1 93 93 THR CA C 93 61.280 61.280 62.050 -0.770 18411 7296 1 9 . 1 1 93 93 THR CB C 93 70.314 70.314 70.587 -0.273 18411 7297 1 9 . 1 1 93 93 THR H H 93 10.844 10.844 8.829 2.015 18411 7298 1 9 . 1 1 94 94 TYR N N 94 122.050 122.050 122.685 -0.635 18411 7299 1 9 . 1 1 94 94 TYR HA H 94 3.740 3.740 3.913 -0.173 18411 7300 1 9 . 1 1 94 94 TYR C C 94 171.563 171.563 173.708 -2.145 18411 7301 1 9 . 1 1 94 94 TYR CA C 94 53.080 53.080 53.839 -0.759 18411 7302 1 9 . 1 1 94 94 TYR CB C 94 34.195 34.195 35.759 -1.564 18411 7303 1 9 . 1 1 94 94 TYR H H 94 6.391 6.391 6.864 -0.473 18411 7304 1 9 . 1 1 95 95 PRO HA H 95 4.105 4.105 4.335 -0.230 18411 7305 1 9 . 1 1 95 95 PRO C C 95 175.152 175.152 175.519 -0.367 18411 7306 1 9 . 1 1 95 95 PRO CA C 95 63.799 63.799 62.924 0.875 18411 7307 1 9 . 1 1 95 95 PRO CB C 95 32.919 32.919 32.126 0.793 18411 7308 1 9 . 1 1 96 96 LEU N N 96 122.325 122.325 124.365 -2.040 18411 7309 1 9 . 1 1 96 96 LEU HA H 96 5.143 5.143 5.314 -0.171 18411 7310 1 9 . 1 1 96 96 LEU C C 96 176.072 176.072 177.202 -1.130 18411 7311 1 9 . 1 1 96 96 LEU CA C 96 52.794 52.794 54.010 -1.216 18411 7312 1 9 . 1 1 96 96 LEU CB C 96 45.567 45.567 44.309 1.258 18411 7313 1 9 . 1 1 96 96 LEU H H 96 8.256 8.256 8.471 -0.215 18411 7314 1 9 . 1 1 97 97 GLY N N 97 107.295 107.295 108.175 -0.880 18411 7315 1 9 . 1 1 97 97 GLY C C 97 171.546 171.546 171.996 -0.450 18411 7316 1 9 . 1 1 97 97 GLY CA C 97 44.069 44.069 44.086 -0.017 18411 7317 1 9 . 1 1 97 97 GLY H H 97 9.177 9.177 9.138 0.039 18411 7318 1 9 . 1 1 98 98 LEU N N 98 118.550 118.550 119.918 -1.368 18411 7319 1 9 . 1 1 98 98 LEU HA H 98 4.872 4.872 4.983 -0.111 18411 7320 1 9 . 1 1 98 98 LEU C C 98 176.132 176.132 175.423 0.709 18411 7321 1 9 . 1 1 98 98 LEU CA C 98 54.460 54.460 54.612 -0.152 18411 7322 1 9 . 1 1 98 98 LEU CB C 98 43.567 43.567 43.880 -0.313 18411 7323 1 9 . 1 1 98 98 LEU H H 98 8.106 8.106 8.912 -0.806 18411 7324 1 9 . 1 1 99 99 ASP N N 99 118.061 118.061 121.345 -3.284 18411 7325 1 9 . 1 1 99 99 ASP HA H 99 5.403 5.403 5.080 0.323 18411 7326 1 9 . 1 1 99 99 ASP C C 99 175.069 175.069 174.202 0.867 18411 7327 1 9 . 1 1 99 99 ASP CA C 99 51.057 51.057 50.553 0.504 18411 7328 1 9 . 1 1 99 99 ASP CB C 99 42.069 42.069 42.432 -0.363 18411 7329 1 9 . 1 1 99 99 ASP H H 99 8.481 8.481 8.661 -0.180 18411 7330 1 9 . 1 1 100 100 PRO HA H 100 4.564 4.564 4.333 0.231 18411 7331 1 9 . 1 1 100 100 PRO C C 100 179.600 179.600 177.678 1.922 18411 7332 1 9 . 1 1 100 100 PRO CA C 100 64.020 64.020 62.819 1.201 18411 7333 1 9 . 1 1 100 100 PRO CB C 100 31.455 31.455 31.255 0.200 18411 7334 1 9 . 1 1 101 101 GLY N N 101 114.780 114.780 113.386 1.394 18411 7335 1 9 . 1 1 101 101 GLY C C 101 173.600 173.600 174.391 -0.791 18411 7336 1 9 . 1 1 101 101 GLY CA C 101 46.175 46.175 44.974 1.201 18411 7337 1 9 . 1 1 101 101 GLY H H 101 9.045 9.045 9.134 -0.089 18411 7338 1 9 . 1 1 102 102 ALA N N 102 117.089 117.089 120.152 -3.063 18411 7339 1 9 . 1 1 102 102 ALA HA H 102 4.376 4.376 4.107 0.269 18411 7340 1 9 . 1 1 102 102 ALA C C 102 175.955 175.955 177.363 -1.408 18411 7341 1 9 . 1 1 102 102 ALA CA C 102 52.693 52.693 52.743 -0.050 18411 7342 1 9 . 1 1 102 102 ALA CB C 102 18.256 18.256 17.658 0.598 18411 7343 1 9 . 1 1 102 102 ALA H H 102 8.257 8.257 7.841 0.416 18411 7344 1 9 . 1 1 103 103 ASP N N 103 118.691 118.691 119.233 -0.542 18411 7345 1 9 . 1 1 103 103 ASP HA H 103 4.444 4.444 4.417 0.027 18411 7346 1 9 . 1 1 103 103 ASP C C 103 179.021 179.021 177.762 1.259 18411 7347 1 9 . 1 1 103 103 ASP CA C 103 57.935 57.935 57.041 0.895 18411 7348 1 9 . 1 1 103 103 ASP CB C 103 41.368 41.368 41.330 0.038 18411 7349 1 9 . 1 1 103 103 ASP H H 103 6.739 6.739 8.256 -1.517 18411 7350 1 9 . 1 1 104 104 ILE N N 104 126.075 126.075 119.491 6.584 18411 7351 1 9 . 1 1 104 104 ILE HA H 104 3.682 3.682 3.774 -0.092 18411 7352 1 9 . 1 1 104 104 ILE C C 104 179.321 179.321 177.660 1.661 18411 7353 1 9 . 1 1 104 104 ILE CA C 104 66.522 66.522 62.962 3.560 18411 7354 1 9 . 1 1 104 104 ILE CB C 104 36.754 36.754 37.004 -0.250 18411 7355 1 9 . 1 1 104 104 ILE H H 104 11.476 11.476 8.866 2.610 18411 7356 1 9 . 1 1 105 105 PHE N N 105 124.513 124.513 120.204 4.309 18411 7357 1 9 . 1 1 105 105 PHE HA H 105 3.646 3.646 3.806 -0.160 18411 7358 1 9 . 1 1 105 105 PHE C C 105 177.818 177.818 176.663 1.155 18411 7359 1 9 . 1 1 105 105 PHE CA C 105 62.948 62.948 61.292 1.656 18411 7360 1 9 . 1 1 105 105 PHE CB C 105 38.350 38.350 39.173 -0.823 18411 7361 1 9 . 1 1 105 105 PHE H H 105 9.473 9.473 8.688 0.785 18411 7362 1 9 . 1 1 106 106 ALA N N 106 115.835 115.835 120.273 -4.438 18411 7363 1 9 . 1 1 106 106 ALA HA H 106 4.927 4.927 4.643 0.284 18411 7364 1 9 . 1 1 106 106 ALA C C 106 179.271 179.271 178.640 0.631 18411 7365 1 9 . 1 1 106 106 ALA CA C 106 52.672 52.672 53.846 -1.174 18411 7366 1 9 . 1 1 106 106 ALA CB C 106 19.093 19.093 18.456 0.637 18411 7367 1 9 . 1 1 106 106 ALA H H 106 8.418 8.418 7.872 0.546 18411 7368 1 9 . 1 1 107 107 LYS N N 107 116.823 116.823 116.493 0.330 18411 7369 1 9 . 1 1 107 107 LYS HA H 107 4.145 4.145 4.032 0.113 18411 7370 1 9 . 1 1 107 107 LYS C C 107 176.006 176.006 176.884 -0.878 18411 7371 1 9 . 1 1 107 107 LYS CA C 107 57.980 57.980 58.169 -0.189 18411 7372 1 9 . 1 1 107 107 LYS CB C 107 33.041 33.041 32.475 0.566 18411 7373 1 9 . 1 1 107 107 LYS H H 107 8.106 8.106 7.567 0.539 18411 7374 1 9 . 1 1 108 108 TYR N N 108 114.793 114.793 115.421 -0.628 18411 7375 1 9 . 1 1 108 108 TYR HA H 108 4.311 4.311 4.498 -0.187 18411 7376 1 9 . 1 1 108 108 TYR C C 108 176.010 176.010 174.091 1.919 18411 7377 1 9 . 1 1 108 108 TYR CA C 108 59.270 59.270 59.354 -0.084 18411 7378 1 9 . 1 1 108 108 TYR CB C 108 40.965 40.965 41.567 -0.602 18411 7379 1 9 . 1 1 108 108 TYR H H 108 7.811 7.811 7.498 0.313 18411 7380 1 9 . 1 1 109 109 ALA N N 109 125.709 125.709 118.198 7.511 18411 7381 1 9 . 1 1 109 109 ALA HA H 109 4.760 4.760 4.889 -0.129 18411 7382 1 9 . 1 1 109 109 ALA C C 109 174.711 174.711 174.729 -0.018 18411 7383 1 9 . 1 1 109 109 ALA CA C 109 50.276 50.276 49.871 0.405 18411 7384 1 9 . 1 1 109 109 ALA CB C 109 21.924 21.924 21.724 0.200 18411 7385 1 9 . 1 1 109 109 ALA H H 109 8.595 8.595 7.931 0.663 18411 7386 1 9 . 1 1 110 110 LEU N N 110 117.834 117.834 119.774 -1.940 18411 7387 1 9 . 1 1 110 110 LEU HA H 110 4.137 4.137 4.323 -0.186 18411 7388 1 9 . 1 1 110 110 LEU C C 110 179.153 179.153 178.672 0.481 18411 7389 1 9 . 1 1 110 110 LEU CA C 110 55.164 55.164 55.139 0.025 18411 7390 1 9 . 1 1 110 110 LEU CB C 110 42.292 42.292 42.026 0.265 18411 7391 1 9 . 1 1 110 110 LEU H H 110 7.814 7.814 8.279 -0.465 18411 7392 1 9 . 1 1 111 111 ARG N N 111 119.787 119.787 123.644 -3.857 18411 7393 1 9 . 1 1 111 111 ARG HA H 111 3.916 3.916 4.275 -0.359 18411 7394 1 9 . 1 1 111 111 ARG C C 111 176.962 176.962 177.505 -0.543 18411 7395 1 9 . 1 1 111 111 ARG CA C 111 60.538 60.538 59.962 0.577 18411 7396 1 9 . 1 1 111 111 ARG CB C 111 30.424 30.424 30.057 0.367 18411 7397 1 9 . 1 1 111 111 ARG H H 111 8.655 8.655 8.826 -0.171 18411 7398 1 9 . 1 1 112 112 ASP N N 112 113.338 113.338 118.976 -5.638 18411 7399 1 9 . 1 1 112 112 ASP HA H 112 4.662 4.662 4.607 0.055 18411 7400 1 9 . 1 1 112 112 ASP C C 112 176.387 176.387 176.049 0.338 18411 7401 1 9 . 1 1 112 112 ASP CA C 112 52.833 52.833 55.130 -2.297 18411 7402 1 9 . 1 1 112 112 ASP CB C 112 40.135 40.135 39.643 0.492 18411 7403 1 9 . 1 1 112 112 ASP H H 112 8.205 8.205 8.451 -0.246 18411 7404 1 9 . 1 1 113 113 ALA N N 113 122.885 122.885 120.424 2.461 18411 7405 1 9 . 1 1 113 113 ALA HA H 113 4.347 4.347 4.573 -0.226 18411 7406 1 9 . 1 1 113 113 ALA C C 113 177.740 177.740 176.906 0.834 18411 7407 1 9 . 1 1 113 113 ALA CA C 113 51.983 51.983 52.048 -0.065 18411 7408 1 9 . 1 1 113 113 ALA CB C 113 20.558 20.558 19.647 0.911 18411 7409 1 9 . 1 1 113 113 ALA H H 113 7.919 7.919 7.830 0.089 18411 7410 1 9 . 1 1 114 114 GLY CA C 114 45.480 45.480 45.075 0.405 18411 7411 1 9 . 1 1 115 115 ILE N N 115 122.165 122.165 119.262 2.903 18411 7412 1 9 . 1 1 115 115 ILE HA H 115 4.119 4.119 3.758 0.361 18411 7413 1 9 . 1 1 115 115 ILE CA C 115 60.788 60.788 60.787 0.001 18411 7414 1 9 . 1 1 115 115 ILE CB C 115 39.651 39.651 39.793 -0.142 18411 7415 1 9 . 1 1 115 115 ILE H H 115 8.253 8.253 8.297 -0.044 18411 7416 1 9 . 1 1 116 116 THR N N 116 110.198 110.198 119.900 -9.702 18411 7417 1 9 . 1 1 116 116 THR HA H 116 4.101 4.101 4.737 -0.636 18411 7418 1 9 . 1 1 116 116 THR CA C 116 62.947 62.947 64.396 -1.449 18411 7419 1 9 . 1 1 116 116 THR CB C 116 69.031 69.031 68.252 0.779 18411 7420 1 9 . 1 1 116 116 THR H H 116 7.033 7.033 8.044 -1.011 18411 7421 1 9 . 1 1 117 117 ARG N N 117 130.624 130.624 126.105 4.519 18411 7422 1 9 . 1 1 117 117 ARG HA H 117 4.997 4.997 4.979 0.018 18411 7423 1 9 . 1 1 117 117 ARG C C 117 173.296 173.296 174.275 -0.979 18411 7424 1 9 . 1 1 117 117 ARG CA C 117 56.468 56.468 55.483 0.985 18411 7425 1 9 . 1 1 117 117 ARG CB C 117 31.949 31.949 35.642 -3.693 18411 7426 1 9 . 1 1 117 117 ARG H H 117 8.250 8.250 8.203 0.047 18411 7427 1 9 . 1 1 118 118 ASN N N 118 118.226 118.226 121.907 -3.681 18411 7428 1 9 . 1 1 118 118 ASN HA H 118 6.127 6.127 5.764 0.363 18411 7429 1 9 . 1 1 118 118 ASN C C 118 173.805 173.805 174.096 -0.291 18411 7430 1 9 . 1 1 118 118 ASN CA C 118 51.759 51.759 52.767 -1.008 18411 7431 1 9 . 1 1 118 118 ASN CB C 118 41.892 41.892 41.276 0.616 18411 7432 1 9 . 1 1 118 118 ASN H H 118 7.730 7.730 8.482 -0.752 18411 7433 1 9 . 1 1 119 119 VAL N N 119 120.477 120.477 124.748 -4.271 18411 7434 1 9 . 1 1 119 119 VAL HA H 119 4.766 4.766 4.864 -0.098 18411 7435 1 9 . 1 1 119 119 VAL C C 119 173.809 173.809 174.301 -0.492 18411 7436 1 9 . 1 1 119 119 VAL CA C 119 60.808 60.808 61.431 -0.623 18411 7437 1 9 . 1 1 119 119 VAL CB C 119 35.887 35.887 33.414 2.473 18411 7438 1 9 . 1 1 119 119 VAL H H 119 9.269 9.269 9.169 0.100 18411 7439 1 9 . 1 1 120 120 LEU N N 120 128.017 128.017 130.229 -2.212 18411 7440 1 9 . 1 1 120 120 LEU HA H 120 5.350 5.350 5.069 0.281 18411 7441 1 9 . 1 1 120 120 LEU C C 120 174.606 174.606 174.676 -0.070 18411 7442 1 9 . 1 1 120 120 LEU CA C 120 53.563 53.563 53.575 -0.012 18411 7443 1 9 . 1 1 120 120 LEU CB C 120 46.211 46.211 45.067 1.144 18411 7444 1 9 . 1 1 120 120 LEU H H 120 8.829 8.829 9.060 -0.231 18411 7445 1 9 . 1 1 121 121 ILE N N 121 131.629 131.629 127.983 3.646 18411 7446 1 9 . 1 1 121 121 ILE HA H 121 4.799 4.799 5.077 -0.278 18411 7447 1 9 . 1 1 121 121 ILE C C 121 174.731 174.731 175.510 -0.779 18411 7448 1 9 . 1 1 121 121 ILE CA C 121 60.450 60.450 58.938 1.512 18411 7449 1 9 . 1 1 121 121 ILE CB C 121 41.651 41.651 41.349 0.302 18411 7450 1 9 . 1 1 121 121 ILE H H 121 9.659 9.659 9.151 0.508 18411 7451 1 9 . 1 1 122 122 ASP N N 122 124.197 124.197 127.124 -2.927 18411 7452 1 9 . 1 1 122 122 ASP HA H 122 4.513 4.513 4.813 -0.300 18411 7453 1 9 . 1 1 122 122 ASP C C 122 177.586 177.586 177.926 -0.340 18411 7454 1 9 . 1 1 122 122 ASP CA C 122 52.442 52.442 53.155 -0.713 18411 7455 1 9 . 1 1 122 122 ASP CB C 122 41.476 41.476 41.543 -0.067 18411 7456 1 9 . 1 1 122 122 ASP H H 122 9.128 9.128 9.158 -0.030 18411 7457 1 9 . 1 1 123 123 ARG N N 123 113.396 113.396 118.127 -4.731 18411 7458 1 9 . 1 1 123 123 ARG HA H 123 4.186 4.186 4.165 0.021 18411 7459 1 9 . 1 1 123 123 ARG C C 123 178.717 178.717 178.487 0.230 18411 7460 1 9 . 1 1 123 123 ARG CA C 123 58.243 58.243 59.333 -1.090 18411 7461 1 9 . 1 1 123 123 ARG CB C 123 30.783 30.783 30.208 0.575 18411 7462 1 9 . 1 1 123 123 ARG H H 123 7.870 7.870 8.618 -0.748 18411 7463 1 9 . 1 1 124 124 GLU N N 124 117.427 117.427 118.016 -0.589 18411 7464 1 9 . 1 1 124 124 GLU HA H 124 4.310 4.310 4.187 0.123 18411 7465 1 9 . 1 1 124 124 GLU C C 124 176.034 176.034 177.624 -1.590 18411 7466 1 9 . 1 1 124 124 GLU CA C 124 56.164 56.164 57.648 -1.484 18411 7467 1 9 . 1 1 124 124 GLU CB C 124 30.541 30.541 30.005 0.536 18411 7468 1 9 . 1 1 124 124 GLU H H 124 8.155 8.155 8.231 -0.076 18411 7469 1 9 . 1 1 125 125 GLY N N 125 105.681 105.681 106.069 -0.388 18411 7470 1 9 . 1 1 125 125 GLY C C 125 174.204 174.204 173.430 0.774 18411 7471 1 9 . 1 1 125 125 GLY CA C 125 45.160 45.160 44.742 0.418 18411 7472 1 9 . 1 1 125 125 GLY H H 125 8.094 8.094 8.068 0.026 18411 7473 1 9 . 1 1 126 126 LYS N N 126 122.326 122.326 121.125 1.201 18411 7474 1 9 . 1 1 126 126 LYS HA H 126 4.647 4.647 5.042 -0.395 18411 7475 1 9 . 1 1 126 126 LYS C C 126 176.390 176.390 175.903 0.487 18411 7476 1 9 . 1 1 126 126 LYS CA C 126 55.393 55.393 55.207 0.186 18411 7477 1 9 . 1 1 126 126 LYS CB C 126 33.569 33.569 34.581 -1.012 18411 7478 1 9 . 1 1 126 126 LYS H H 126 8.502 8.502 8.107 0.395 18411 7479 1 9 . 1 1 127 127 ILE N N 127 121.946 121.946 123.029 -1.083 18411 7480 1 9 . 1 1 127 127 ILE HA H 127 4.048 4.048 4.617 -0.569 18411 7481 1 9 . 1 1 127 127 ILE C C 127 177.735 177.735 176.594 1.141 18411 7482 1 9 . 1 1 127 127 ILE CA C 127 63.200 63.200 62.149 1.051 18411 7483 1 9 . 1 1 127 127 ILE CB C 127 38.106 38.106 38.274 -0.168 18411 7484 1 9 . 1 1 127 127 ILE H H 127 8.739 8.739 8.755 -0.016 18411 7485 1 9 . 1 1 128 128 VAL N N 128 122.026 122.026 122.452 -0.426 18411 7486 1 9 . 1 1 128 128 VAL HA H 128 4.695 4.695 4.485 0.210 18411 7487 1 9 . 1 1 128 128 VAL C C 128 175.968 175.968 175.100 0.868 18411 7488 1 9 . 1 1 128 128 VAL CA C 128 61.535 61.535 60.459 1.076 18411 7489 1 9 . 1 1 128 128 VAL CB C 128 33.996 33.996 32.216 1.780 18411 7490 1 9 . 1 1 128 128 VAL H H 128 9.397 9.397 9.228 0.169 18411 7491 1 9 . 1 1 129 129 LYS N N 129 121.635 121.635 120.334 1.301 18411 7492 1 9 . 1 1 129 129 LYS HA H 129 4.359 4.359 4.528 -0.169 18411 7493 1 9 . 1 1 129 129 LYS C C 129 172.896 172.896 173.823 -0.927 18411 7494 1 9 . 1 1 129 129 LYS CA C 129 57.322 57.322 56.409 0.913 18411 7495 1 9 . 1 1 129 129 LYS CB C 129 36.802 36.802 35.478 1.324 18411 7496 1 9 . 1 1 129 129 LYS H H 129 7.708 7.708 7.390 0.318 18411 7497 1 9 . 1 1 130 130 LEU N N 130 126.219 126.219 127.863 -1.644 18411 7498 1 9 . 1 1 130 130 LEU HA H 130 5.140 5.140 5.276 -0.136 18411 7499 1 9 . 1 1 130 130 LEU C C 130 176.956 176.956 175.804 1.152 18411 7500 1 9 . 1 1 130 130 LEU CA C 130 53.572 53.572 53.719 -0.147 18411 7501 1 9 . 1 1 130 130 LEU CB C 130 44.700 44.700 43.571 1.129 18411 7502 1 9 . 1 1 130 130 LEU H H 130 8.301 8.301 8.702 -0.401 18411 7503 1 9 . 1 1 131 131 THR N N 131 113.484 113.484 114.029 -0.545 18411 7504 1 9 . 1 1 131 131 THR HA H 131 5.136 5.136 4.847 0.289 18411 7505 1 9 . 1 1 131 131 THR C C 131 175.492 175.492 174.456 1.036 18411 7506 1 9 . 1 1 131 131 THR CA C 131 61.033 61.033 59.935 1.098 18411 7507 1 9 . 1 1 131 131 THR CB C 131 70.922 70.922 71.234 -0.312 18411 7508 1 9 . 1 1 131 131 THR H H 131 9.298 9.298 8.813 0.485 18411 7509 1 9 . 1 1 132 132 ARG HA H 132 5.150 5.150 4.765 0.385 18411 7510 1 9 . 1 1 132 132 ARG CA C 132 55.585 55.585 55.397 0.188 18411 7511 1 9 . 1 1 132 132 ARG CB C 132 33.035 33.035 30.364 2.671 18411 7512 1 9 . 1 1 133 133 LEU N N 133 118.967 118.967 120.753 -1.786 18411 7513 1 9 . 1 1 133 133 LEU HA H 133 4.302 4.302 4.121 0.181 18411 7514 1 9 . 1 1 133 133 LEU CA C 133 56.200 56.200 55.041 1.159 18411 7515 1 9 . 1 1 133 133 LEU CB C 133 41.616 41.616 41.733 -0.117 18411 7516 1 9 . 1 1 133 133 LEU H H 133 8.167 8.167 8.492 -0.325 18411 7517 1 9 . 1 1 134 134 TYR N N 134 124.816 124.816 121.125 3.691 18411 7518 1 9 . 1 1 134 134 TYR HA H 134 4.963 4.963 4.210 0.753 18411 7519 1 9 . 1 1 134 134 TYR CA C 134 57.154 57.154 59.889 -2.735 18411 7520 1 9 . 1 1 134 134 TYR CB C 134 38.948 38.948 39.013 -0.065 18411 7521 1 9 . 1 1 134 134 TYR H H 134 7.805 7.805 8.620 -0.815 18411 7522 1 9 . 1 1 135 135 ASN HA H 135 4.415 4.415 4.347 0.068 18411 7523 1 9 . 1 1 135 135 ASN CA C 135 51.995 51.995 52.851 -0.856 18411 7524 1 9 . 1 1 135 135 ASN CB C 135 40.521 40.521 38.544 1.977 18411 7525 1 9 . 1 1 136 136 GLU HA H 136 3.694 3.694 3.566 0.128 18411 7526 1 9 . 1 1 136 136 GLU C C 136 178.797 178.797 178.141 0.656 18411 7527 1 9 . 1 1 136 136 GLU CA C 136 61.052 61.052 59.632 1.421 18411 7528 1 9 . 1 1 136 136 GLU CB C 136 29.353 29.353 29.249 0.104 18411 7529 1 9 . 1 1 137 137 GLU N N 137 120.717 120.717 119.149 1.568 18411 7530 1 9 . 1 1 137 137 GLU HA H 137 4.176 4.176 3.997 0.179 18411 7531 1 9 . 1 1 137 137 GLU C C 137 179.707 179.707 178.546 1.161 18411 7532 1 9 . 1 1 137 137 GLU CA C 137 59.800 59.800 59.799 0.001 18411 7533 1 9 . 1 1 137 137 GLU CB C 137 29.284 29.284 28.979 0.305 18411 7534 1 9 . 1 1 137 137 GLU H H 137 8.364 8.364 8.595 -0.231 18411 7535 1 9 . 1 1 138 138 GLU N N 138 122.448 122.448 120.565 1.883 18411 7536 1 9 . 1 1 138 138 GLU HA H 138 4.190 4.190 4.044 0.146 18411 7537 1 9 . 1 1 138 138 GLU C C 138 179.927 179.927 178.547 1.380 18411 7538 1 9 . 1 1 138 138 GLU CA C 138 59.129 59.129 58.918 0.211 18411 7539 1 9 . 1 1 138 138 GLU CB C 138 30.064 30.064 29.089 0.975 18411 7540 1 9 . 1 1 138 138 GLU H H 138 8.448 8.448 8.114 0.334 18411 7541 1 9 . 1 1 139 139 PHE N N 139 122.454 122.454 120.684 1.770 18411 7542 1 9 . 1 1 139 139 PHE HA H 139 4.171 4.171 4.074 0.097 18411 7543 1 9 . 1 1 139 139 PHE C C 139 177.370 177.370 176.434 0.936 18411 7544 1 9 . 1 1 139 139 PHE CA C 139 62.690 62.690 61.503 1.187 18411 7545 1 9 . 1 1 139 139 PHE CB C 139 39.579 39.579 38.636 0.942 18411 7546 1 9 . 1 1 139 139 PHE H H 139 8.895 8.895 8.713 0.182 18411 7547 1 9 . 1 1 140 140 ALA N N 140 120.155 120.155 121.361 -1.206 18411 7548 1 9 . 1 1 140 140 ALA HA H 140 4.100 4.100 3.816 0.284 18411 7549 1 9 . 1 1 140 140 ALA C C 140 181.270 181.270 179.533 1.737 18411 7550 1 9 . 1 1 140 140 ALA CA C 140 55.203 55.203 55.321 -0.117 18411 7551 1 9 . 1 1 140 140 ALA CB C 140 17.716 17.716 17.870 -0.154 18411 7552 1 9 . 1 1 140 140 ALA H H 140 8.240 8.240 7.758 0.482 18411 7553 1 9 . 1 1 141 141 SER N N 141 114.095 114.095 115.383 -1.288 18411 7554 1 9 . 1 1 141 141 SER HA H 141 4.267 4.267 4.142 0.125 18411 7555 1 9 . 1 1 141 141 SER C C 141 176.895 176.895 176.614 0.281 18411 7556 1 9 . 1 1 141 141 SER CA C 141 61.291 61.291 62.536 -1.245 18411 7557 1 9 . 1 1 141 141 SER CB C 141 62.690 62.690 63.087 -0.397 18411 7558 1 9 . 1 1 141 141 SER H H 141 7.835 7.835 8.184 -0.349 18411 7559 1 9 . 1 1 142 142 LEU N N 142 126.764 126.764 119.545 7.219 18411 7560 1 9 . 1 1 142 142 LEU HA H 142 3.908 3.908 4.469 -0.561 18411 7561 1 9 . 1 1 142 142 LEU C C 142 176.876 176.876 178.302 -1.426 18411 7562 1 9 . 1 1 142 142 LEU CA C 142 58.757 58.757 57.541 1.216 18411 7563 1 9 . 1 1 142 142 LEU CB C 142 41.653 41.653 40.897 0.756 18411 7564 1 9 . 1 1 142 142 LEU H H 142 7.833 7.833 8.162 -0.329 18411 7565 1 9 . 1 1 143 143 VAL N N 143 119.066 119.066 120.819 -1.753 18411 7566 1 9 . 1 1 143 143 VAL HA H 143 3.174 3.174 3.460 -0.286 18411 7567 1 9 . 1 1 143 143 VAL C C 143 178.479 178.479 177.602 0.877 18411 7568 1 9 . 1 1 143 143 VAL CA C 143 66.864 66.864 66.420 0.444 18411 7569 1 9 . 1 1 143 143 VAL CB C 143 32.350 32.350 31.009 1.341 18411 7570 1 9 . 1 1 143 143 VAL H H 143 8.010 8.010 8.432 -0.422 18411 7571 1 9 . 1 1 144 144 GLN N N 144 118.170 118.170 118.620 -0.450 18411 7572 1 9 . 1 1 144 144 GLN HA H 144 4.028 4.028 3.976 0.052 18411 7573 1 9 . 1 1 144 144 GLN C C 144 178.335 178.335 178.099 0.236 18411 7574 1 9 . 1 1 144 144 GLN CA C 144 59.591 59.591 59.069 0.522 18411 7575 1 9 . 1 1 144 144 GLN CB C 144 32.906 32.906 28.193 4.713 18411 7576 1 9 . 1 1 144 144 GLN H H 144 7.935 7.935 7.704 0.231 18411 7577 1 9 . 1 1 145 145 GLN N N 145 119.839 119.839 120.158 -0.319 18411 7578 1 9 . 1 1 145 145 GLN HA H 145 4.029 4.029 3.990 0.039 18411 7579 1 9 . 1 1 145 145 GLN C C 145 178.686 178.686 178.505 0.181 18411 7580 1 9 . 1 1 145 145 GLN CA C 145 59.270 59.270 59.096 0.174 18411 7581 1 9 . 1 1 145 145 GLN CB C 145 27.587 27.587 28.638 -1.051 18411 7582 1 9 . 1 1 145 145 GLN H H 145 7.986 7.986 7.835 0.151 18411 7583 1 9 . 1 1 146 146 ILE N N 146 119.900 119.900 119.139 0.761 18411 7584 1 9 . 1 1 146 146 ILE HA H 146 3.345 3.345 3.682 -0.337 18411 7585 1 9 . 1 1 146 146 ILE C C 146 177.393 177.393 177.901 -0.508 18411 7586 1 9 . 1 1 146 146 ILE CA C 146 66.902 66.902 65.348 1.554 18411 7587 1 9 . 1 1 146 146 ILE CB C 146 38.281 38.281 37.668 0.613 18411 7588 1 9 . 1 1 146 146 ILE H H 146 8.171 8.171 8.750 -0.579 18411 7589 1 9 . 1 1 147 147 ASN N N 147 116.163 116.163 118.303 -2.140 18411 7590 1 9 . 1 1 147 147 ASN HA H 147 4.196 4.196 4.389 -0.193 18411 7591 1 9 . 1 1 147 147 ASN C C 147 179.035 179.035 178.298 0.737 18411 7592 1 9 . 1 1 147 147 ASN CA C 147 56.348 56.348 55.903 0.445 18411 7593 1 9 . 1 1 147 147 ASN CB C 147 38.062 38.062 37.901 0.161 18411 7594 1 9 . 1 1 147 147 ASN H H 147 7.896 7.896 8.038 -0.142 18411 7595 1 9 . 1 1 148 148 GLU N N 148 118.645 118.645 120.298 -1.653 18411 7596 1 9 . 1 1 148 148 GLU HA H 148 3.970 3.970 4.155 -0.185 18411 7597 1 9 . 1 1 148 148 GLU C C 148 179.964 179.964 178.844 1.120 18411 7598 1 9 . 1 1 148 148 GLU CA C 148 59.340 59.340 58.293 1.047 18411 7599 1 9 . 1 1 148 148 GLU CB C 148 29.572 29.572 29.269 0.303 18411 7600 1 9 . 1 1 148 148 GLU H H 148 8.311 8.311 7.789 0.522 18411 7601 1 9 . 1 1 149 149 MET N N 149 119.218 119.218 118.582 0.636 18411 7602 1 9 . 1 1 149 149 MET HA H 149 4.140 4.140 4.124 0.016 18411 7603 1 9 . 1 1 149 149 MET C C 149 179.419 179.419 178.520 0.899 18411 7604 1 9 . 1 1 149 149 MET CA C 149 59.040 59.040 59.717 -0.677 18411 7605 1 9 . 1 1 149 149 MET CB C 149 35.293 35.293 32.894 2.400 18411 7606 1 9 . 1 1 149 149 MET H H 149 8.527 8.527 7.815 0.712 18411 7607 1 9 . 1 1 150 150 LEU N N 150 118.078 118.078 113.177 4.901 18411 7608 1 9 . 1 1 150 150 LEU HA H 150 4.245 4.245 4.589 -0.344 18411 7609 1 9 . 1 1 150 150 LEU C C 150 178.141 178.141 178.628 -0.487 18411 7610 1 9 . 1 1 150 150 LEU CA C 150 55.824 55.824 56.209 -0.385 18411 7611 1 9 . 1 1 150 150 LEU CB C 150 41.533 41.533 40.780 0.753 18411 7612 1 9 . 1 1 150 150 LEU H H 150 7.917 7.917 7.699 0.218 18411 7613 1 9 . 1 1 151 151 LYS N N 151 120.096 120.096 121.606 -1.510 18411 7614 1 9 . 1 1 151 151 LYS HA H 151 4.181 4.181 4.320 -0.139 18411 7615 1 9 . 1 1 151 151 LYS C C 151 177.029 177.029 178.085 -1.056 18411 7616 1 9 . 1 1 151 151 LYS CA C 151 57.490 57.490 59.082 -1.592 18411 7617 1 9 . 1 1 151 151 LYS CB C 151 32.921 32.921 32.603 0.318 18411 7618 1 9 . 1 1 151 151 LYS H H 151 7.466 7.466 7.665 -0.199 18411 7619 1 9 . 1 1 152 152 GLU N N 152 120.188 120.188 115.161 5.027 18411 7620 1 9 . 1 1 152 152 GLU HA H 152 4.264 4.264 3.951 0.313 18411 7621 1 9 . 1 1 152 152 GLU C C 152 177.259 177.259 176.704 0.555 18411 7622 1 9 . 1 1 152 152 GLU CA C 152 57.070 57.070 57.681 -0.611 18411 7623 1 9 . 1 1 152 152 GLU CB C 152 30.385 30.385 26.853 3.532 18411 7624 1 9 . 1 1 152 152 GLU H H 152 7.820 7.820 8.739 -0.919 18411 7625 1 9 . 1 1 153 153 GLY N N 153 109.046 109.046 106.069 2.977 18411 7626 1 9 . 1 1 153 153 GLY C C 153 174.204 174.204 174.601 -0.397 18411 7627 1 9 . 1 1 153 153 GLY CA C 153 45.327 45.327 45.809 -0.482 18411 7628 1 9 . 1 1 153 153 GLY H H 153 8.278 8.278 8.287 -0.009 18411 7629 1 9 . 1 1 158 158 HIS HA H 158 4.606 4.606 4.443 0.163 18411 7630 1 9 . 1 1 158 158 HIS C C 158 174.423 174.423 174.593 -0.170 18411 7631 1 9 . 1 1 158 158 HIS CA C 158 56.235 56.235 57.132 -0.897 18411 7632 1 9 . 1 1 158 158 HIS CB C 158 31.028 31.028 30.561 0.467 18411 7633 1 10 . 1 1 3 3 LEU HA H 3 3.930 3.930 4.782 -0.852 18411 7634 1 10 . 1 1 3 3 LEU CA C 3 58.669 58.669 54.636 4.033 18411 7635 1 10 . 1 1 3 3 LEU CB C 3 42.010 42.010 41.269 0.741 18411 7636 1 10 . 1 1 4 4 GLY C C 4 173.604 173.604 172.952 0.652 18411 7637 1 10 . 1 1 4 4 GLY CA C 4 46.072 46.072 44.803 1.268 18411 7638 1 10 . 1 1 5 5 TYR N N 5 116.195 116.195 119.539 -3.344 18411 7639 1 10 . 1 1 5 5 TYR HA H 5 4.769 4.769 4.923 -0.154 18411 7640 1 10 . 1 1 5 5 TYR C C 5 177.898 177.898 175.604 2.294 18411 7641 1 10 . 1 1 5 5 TYR CA C 5 60.102 60.102 57.220 2.882 18411 7642 1 10 . 1 1 5 5 TYR CB C 5 39.615 39.615 39.551 0.064 18411 7643 1 10 . 1 1 5 5 TYR H H 5 7.849 7.849 8.144 -0.295 18411 7644 1 10 . 1 1 6 6 ILE N N 6 115.338 115.338 119.129 -3.791 18411 7645 1 10 . 1 1 6 6 ILE HA H 6 4.514 4.514 4.364 0.150 18411 7646 1 10 . 1 1 6 6 ILE C C 6 175.977 175.977 175.492 0.485 18411 7647 1 10 . 1 1 6 6 ILE CA C 6 61.623 61.623 62.218 -0.595 18411 7648 1 10 . 1 1 6 6 ILE CB C 6 38.270 38.270 38.775 -0.505 18411 7649 1 10 . 1 1 6 6 ILE H H 6 8.687 8.687 8.411 0.276 18411 7650 1 10 . 1 1 7 7 VAL N N 7 113.122 113.122 121.045 -7.923 18411 7651 1 10 . 1 1 7 7 VAL HA H 7 4.730 4.730 4.197 0.533 18411 7652 1 10 . 1 1 7 7 VAL C C 7 174.331 174.331 174.792 -0.461 18411 7653 1 10 . 1 1 7 7 VAL CA C 7 58.867 58.867 60.718 -1.851 18411 7654 1 10 . 1 1 7 7 VAL CB C 7 34.475 34.475 33.683 0.792 18411 7655 1 10 . 1 1 7 7 VAL H H 7 6.845 6.845 7.338 -0.493 18411 7656 1 10 . 1 1 8 8 ARG N N 8 117.597 117.597 122.921 -5.324 18411 7657 1 10 . 1 1 8 8 ARG HA H 8 4.539 4.539 4.629 -0.090 18411 7658 1 10 . 1 1 8 8 ARG C C 8 175.618 175.618 175.681 -0.063 18411 7659 1 10 . 1 1 8 8 ARG CA C 8 53.717 53.717 53.764 -0.047 18411 7660 1 10 . 1 1 8 8 ARG CB C 8 34.126 34.126 32.883 1.243 18411 7661 1 10 . 1 1 8 8 ARG H H 8 7.978 7.978 8.450 -0.472 18411 7662 1 10 . 1 1 9 9 ILE N N 9 118.377 118.377 122.190 -3.813 18411 7663 1 10 . 1 1 9 9 ILE HA H 9 3.465 3.465 3.824 -0.359 18411 7664 1 10 . 1 1 9 9 ILE C C 9 177.771 177.771 177.268 0.503 18411 7665 1 10 . 1 1 9 9 ILE CA C 9 62.350 62.350 62.590 -0.240 18411 7666 1 10 . 1 1 9 9 ILE CB C 9 37.049 37.049 37.594 -0.545 18411 7667 1 10 . 1 1 9 9 ILE H H 9 8.085 8.085 8.484 -0.399 18411 7668 1 10 . 1 1 10 10 GLY N N 10 115.204 115.204 115.893 -0.689 18411 7669 1 10 . 1 1 10 10 GLY C C 10 174.235 174.235 173.599 0.636 18411 7670 1 10 . 1 1 10 10 GLY CA C 10 44.763 44.763 45.145 -0.382 18411 7671 1 10 . 1 1 10 10 GLY H H 10 9.149 9.149 9.149 -0.000 18411 7672 1 10 . 1 1 11 11 GLU N N 11 119.157 119.157 119.219 -0.062 18411 7673 1 10 . 1 1 11 11 GLU HA H 11 4.392 4.392 4.711 -0.319 18411 7674 1 10 . 1 1 11 11 GLU C C 11 176.729 176.729 175.617 1.112 18411 7675 1 10 . 1 1 11 11 GLU CA C 11 55.108 55.108 53.928 1.180 18411 7676 1 10 . 1 1 11 11 GLU CB C 11 31.473 31.473 31.958 -0.485 18411 7677 1 10 . 1 1 11 11 GLU H H 11 7.631 7.631 7.646 -0.015 18411 7678 1 10 . 1 1 12 12 MET N N 12 119.646 119.646 120.145 -0.499 18411 7679 1 10 . 1 1 12 12 MET HA H 12 4.593 4.593 4.577 0.016 18411 7680 1 10 . 1 1 12 12 MET C C 12 177.162 177.162 176.677 0.485 18411 7681 1 10 . 1 1 12 12 MET CA C 12 54.475 54.475 54.282 0.193 18411 7682 1 10 . 1 1 12 12 MET CB C 12 30.749 30.749 31.799 -1.050 18411 7683 1 10 . 1 1 12 12 MET H H 12 8.566 8.566 8.629 -0.063 18411 7684 1 10 . 1 1 13 13 ALA N N 13 129.735 129.735 128.511 1.224 18411 7685 1 10 . 1 1 13 13 ALA HA H 13 4.293 4.293 4.644 -0.351 18411 7686 1 10 . 1 1 13 13 ALA C C 13 175.992 175.992 175.547 0.445 18411 7687 1 10 . 1 1 13 13 ALA CA C 13 50.676 50.676 49.950 0.726 18411 7688 1 10 . 1 1 13 13 ALA CB C 13 18.125 18.125 18.763 -0.638 18411 7689 1 10 . 1 1 13 13 ALA H H 13 8.626 8.626 8.699 -0.073 18411 7690 1 10 . 1 1 14 14 PRO HA H 14 4.253 4.253 4.306 -0.053 18411 7691 1 10 . 1 1 14 14 PRO C C 14 176.066 176.066 176.029 0.037 18411 7692 1 10 . 1 1 14 14 PRO CA C 14 63.478 63.478 62.778 0.700 18411 7693 1 10 . 1 1 14 14 PRO CB C 14 32.987 32.987 32.001 0.986 18411 7694 1 10 . 1 1 15 15 ASP N N 15 123.075 123.075 121.972 1.103 18411 7695 1 10 . 1 1 15 15 ASP HA H 15 4.700 4.700 4.559 0.141 18411 7696 1 10 . 1 1 15 15 ASP C C 15 176.067 176.067 175.431 0.636 18411 7697 1 10 . 1 1 15 15 ASP CA C 15 53.628 53.628 54.692 -1.064 18411 7698 1 10 . 1 1 15 15 ASP CB C 15 41.613 41.613 42.124 -0.511 18411 7699 1 10 . 1 1 15 15 ASP H H 15 8.373 8.373 8.371 0.002 18411 7700 1 10 . 1 1 16 16 PHE N N 16 114.256 114.256 117.952 -3.696 18411 7701 1 10 . 1 1 16 16 PHE HA H 16 4.869 4.869 5.006 -0.137 18411 7702 1 10 . 1 1 16 16 PHE C C 16 173.028 173.028 173.331 -0.303 18411 7703 1 10 . 1 1 16 16 PHE CA C 16 56.721 56.721 55.285 1.436 18411 7704 1 10 . 1 1 16 16 PHE CB C 16 40.560 40.560 42.096 -1.536 18411 7705 1 10 . 1 1 16 16 PHE H H 16 7.950 7.950 7.458 0.492 18411 7706 1 10 . 1 1 17 17 THR N N 17 116.459 116.459 117.109 -0.650 18411 7707 1 10 . 1 1 17 17 THR HA H 17 5.244 5.244 5.315 -0.071 18411 7708 1 10 . 1 1 17 17 THR C C 17 172.722 172.722 173.727 -1.005 18411 7709 1 10 . 1 1 17 17 THR CA C 17 62.061 62.061 61.579 0.482 18411 7710 1 10 . 1 1 17 17 THR CB C 17 70.882 70.882 69.875 1.007 18411 7711 1 10 . 1 1 17 17 THR H H 17 8.596 8.596 8.528 0.068 18411 7712 1 10 . 1 1 18 18 ILE N N 18 128.165 128.165 127.420 0.745 18411 7713 1 10 . 1 1 18 18 ILE HA H 18 4.995 4.995 4.649 0.346 18411 7714 1 10 . 1 1 18 18 ILE C C 18 172.309 172.309 173.746 -1.437 18411 7715 1 10 . 1 1 18 18 ILE CA C 18 59.123 59.123 59.057 0.066 18411 7716 1 10 . 1 1 18 18 ILE CB C 18 43.984 43.984 42.143 1.841 18411 7717 1 10 . 1 1 18 18 ILE H H 18 9.574 9.574 9.225 0.349 18411 7718 1 10 . 1 1 19 19 THR N N 19 124.473 124.473 123.644 0.829 18411 7719 1 10 . 1 1 19 19 THR HA H 19 4.821 4.821 4.965 -0.144 18411 7720 1 10 . 1 1 19 19 THR C C 19 174.104 174.104 174.345 -0.241 18411 7721 1 10 . 1 1 19 19 THR CA C 19 62.316 62.316 62.082 0.234 18411 7722 1 10 . 1 1 19 19 THR CB C 19 69.287 69.287 69.463 -0.176 18411 7723 1 10 . 1 1 19 19 THR H H 19 9.081 9.081 8.670 0.411 18411 7724 1 10 . 1 1 20 20 LEU N N 20 125.167 125.167 127.400 -2.233 18411 7725 1 10 . 1 1 20 20 LEU HA H 20 5.082 5.082 4.798 0.284 18411 7726 1 10 . 1 1 20 20 LEU C C 20 181.023 181.023 179.575 1.448 18411 7727 1 10 . 1 1 20 20 LEU CA C 20 54.191 54.191 54.272 -0.081 18411 7728 1 10 . 1 1 20 20 LEU CB C 20 42.219 42.219 42.926 -0.707 18411 7729 1 10 . 1 1 20 20 LEU H H 20 9.227 9.227 9.195 0.032 18411 7730 1 10 . 1 1 21 21 THR N N 21 109.887 109.887 114.678 -4.791 18411 7731 1 10 . 1 1 21 21 THR HA H 21 3.831 3.831 4.008 -0.177 18411 7732 1 10 . 1 1 21 21 THR C C 21 174.716 174.716 175.116 -0.400 18411 7733 1 10 . 1 1 21 21 THR CA C 21 64.992 64.992 65.920 -0.928 18411 7734 1 10 . 1 1 21 21 THR CB C 21 68.529 68.529 68.340 0.189 18411 7735 1 10 . 1 1 21 21 THR H H 21 8.603 8.603 8.552 0.051 18411 7736 1 10 . 1 1 22 22 ASP N N 22 117.311 117.311 118.215 -0.904 18411 7737 1 10 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.631 -0.037 18411 7738 1 10 . 1 1 22 22 ASP C C 22 177.771 177.771 176.834 0.937 18411 7739 1 10 . 1 1 22 22 ASP CA C 22 53.173 53.173 53.643 -0.470 18411 7740 1 10 . 1 1 22 22 ASP CB C 22 40.449 40.449 40.215 0.234 18411 7741 1 10 . 1 1 22 22 ASP H H 22 7.530 7.530 7.868 -0.338 18411 7742 1 10 . 1 1 23 23 GLY N N 23 108.847 108.847 108.477 0.370 18411 7743 1 10 . 1 1 23 23 GLY C C 23 174.806 174.806 173.879 0.927 18411 7744 1 10 . 1 1 23 23 GLY CA C 23 45.028 45.028 44.989 0.039 18411 7745 1 10 . 1 1 23 23 GLY H H 23 8.203 8.203 7.890 0.313 18411 7746 1 10 . 1 1 24 24 LYS N N 24 122.092 122.092 121.495 0.597 18411 7747 1 10 . 1 1 24 24 LYS HA H 24 4.267 4.267 4.152 0.115 18411 7748 1 10 . 1 1 24 24 LYS C C 24 175.350 175.350 175.856 -0.506 18411 7749 1 10 . 1 1 24 24 LYS CA C 24 57.060 57.060 56.975 0.085 18411 7750 1 10 . 1 1 24 24 LYS CB C 24 33.271 33.271 32.562 0.709 18411 7751 1 10 . 1 1 24 24 LYS H H 24 7.881 7.881 7.971 -0.090 18411 7752 1 10 . 1 1 25 25 GLN N N 25 119.585 119.585 124.625 -5.040 18411 7753 1 10 . 1 1 25 25 GLN HA H 25 5.561 5.561 5.344 0.217 18411 7754 1 10 . 1 1 25 25 GLN C C 25 176.631 176.631 175.534 1.097 18411 7755 1 10 . 1 1 25 25 GLN CA C 25 54.572 54.572 54.782 -0.210 18411 7756 1 10 . 1 1 25 25 GLN CB C 25 31.621 31.621 29.851 1.770 18411 7757 1 10 . 1 1 25 25 GLN H H 25 8.365 8.365 8.576 -0.211 18411 7758 1 10 . 1 1 26 26 VAL N N 26 123.115 123.115 122.059 1.056 18411 7759 1 10 . 1 1 26 26 VAL HA H 26 4.466 4.466 4.611 -0.145 18411 7760 1 10 . 1 1 26 26 VAL C C 26 174.390 174.390 174.354 0.036 18411 7761 1 10 . 1 1 26 26 VAL CA C 26 61.142 61.142 59.301 1.841 18411 7762 1 10 . 1 1 26 26 VAL CB C 26 35.962 35.962 34.748 1.214 18411 7763 1 10 . 1 1 26 26 VAL H H 26 9.069 9.069 9.018 0.051 18411 7764 1 10 . 1 1 27 27 THR N N 27 122.509 122.509 118.925 3.584 18411 7765 1 10 . 1 1 27 27 THR HA H 27 5.437 5.437 5.107 0.330 18411 7766 1 10 . 1 1 27 27 THR C C 27 176.330 176.330 175.800 0.530 18411 7767 1 10 . 1 1 27 27 THR CA C 27 60.068 60.068 60.676 -0.608 18411 7768 1 10 . 1 1 27 27 THR CB C 27 70.655 70.655 70.729 -0.074 18411 7769 1 10 . 1 1 27 27 THR H H 27 8.256 8.256 8.309 -0.053 18411 7770 1 10 . 1 1 28 28 LEU N N 28 131.816 131.816 125.758 6.058 18411 7771 1 10 . 1 1 28 28 LEU HA H 28 3.607 3.607 3.737 -0.130 18411 7772 1 10 . 1 1 28 28 LEU C C 28 180.093 180.093 178.313 1.780 18411 7773 1 10 . 1 1 28 28 LEU CA C 28 59.264 59.264 57.776 1.488 18411 7774 1 10 . 1 1 28 28 LEU CB C 28 39.396 39.396 41.692 -2.296 18411 7775 1 10 . 1 1 28 28 LEU H H 28 8.311 8.311 8.480 -0.169 18411 7776 1 10 . 1 1 29 29 SER N N 29 114.727 114.727 114.606 0.121 18411 7777 1 10 . 1 1 29 29 SER HA H 29 4.003 4.003 4.178 -0.175 18411 7778 1 10 . 1 1 29 29 SER C C 29 177.762 177.762 176.346 1.416 18411 7779 1 10 . 1 1 29 29 SER CA C 29 60.896 60.896 60.996 -0.100 18411 7780 1 10 . 1 1 29 29 SER CB C 29 61.091 61.091 62.484 -1.393 18411 7781 1 10 . 1 1 29 29 SER H H 29 9.491 9.491 8.558 0.933 18411 7782 1 10 . 1 1 30 30 SER N N 30 119.100 119.100 115.898 3.202 18411 7783 1 10 . 1 1 30 30 SER HA H 30 4.476 4.476 4.370 0.106 18411 7784 1 10 . 1 1 30 30 SER C C 30 175.104 175.104 174.956 0.148 18411 7785 1 10 . 1 1 30 30 SER CA C 30 60.661 60.661 59.480 1.181 18411 7786 1 10 . 1 1 30 30 SER CB C 30 63.174 63.174 62.873 0.300 18411 7787 1 10 . 1 1 30 30 SER H H 30 7.878 7.878 7.904 -0.026 18411 7788 1 10 . 1 1 31 31 LEU N N 31 121.415 121.415 118.992 2.423 18411 7789 1 10 . 1 1 31 31 LEU HA H 31 4.258 4.258 4.453 -0.195 18411 7790 1 10 . 1 1 31 31 LEU C C 31 175.710 175.710 175.992 -0.282 18411 7791 1 10 . 1 1 31 31 LEU CA C 31 53.804 53.804 53.649 0.155 18411 7792 1 10 . 1 1 31 31 LEU CB C 31 41.285 41.285 42.936 -1.651 18411 7793 1 10 . 1 1 31 31 LEU H H 31 8.026 8.026 7.668 0.358 18411 7794 1 10 . 1 1 32 32 ARG N N 32 119.061 119.061 120.401 -1.340 18411 7795 1 10 . 1 1 32 32 ARG HA H 32 4.411 4.411 4.030 0.381 18411 7796 1 10 . 1 1 32 32 ARG C C 32 177.585 177.585 177.168 0.417 18411 7797 1 10 . 1 1 32 32 ARG CA C 32 57.590 57.590 57.087 0.503 18411 7798 1 10 . 1 1 32 32 ARG CB C 32 29.497 29.497 29.344 0.153 18411 7799 1 10 . 1 1 32 32 ARG H H 32 6.788 6.788 6.999 -0.211 18411 7800 1 10 . 1 1 33 33 GLY N N 33 114.033 114.033 112.252 1.781 18411 7801 1 10 . 1 1 33 33 GLY C C 33 173.456 173.456 172.806 0.650 18411 7802 1 10 . 1 1 33 33 GLY CA C 33 44.684 44.684 44.930 -0.246 18411 7803 1 10 . 1 1 33 33 GLY H H 33 9.120 9.120 8.305 0.816 18411 7804 1 10 . 1 1 34 34 LYS N N 34 120.270 120.270 120.427 -0.157 18411 7805 1 10 . 1 1 34 34 LYS HA H 34 4.606 4.606 4.678 -0.072 18411 7806 1 10 . 1 1 34 34 LYS C C 34 175.350 175.350 175.396 -0.046 18411 7807 1 10 . 1 1 34 34 LYS CA C 34 54.786 54.786 54.198 0.588 18411 7808 1 10 . 1 1 34 34 LYS CB C 34 34.125 34.125 35.756 -1.631 18411 7809 1 10 . 1 1 34 34 LYS H H 34 8.146 8.146 7.594 0.552 18411 7810 1 10 . 1 1 35 35 VAL N N 35 122.059 122.059 122.516 -0.457 18411 7811 1 10 . 1 1 35 35 VAL HA H 35 4.020 4.020 4.241 -0.221 18411 7812 1 10 . 1 1 35 35 VAL C C 35 174.699 174.699 173.905 0.794 18411 7813 1 10 . 1 1 35 35 VAL CA C 35 63.108 63.108 61.401 1.707 18411 7814 1 10 . 1 1 35 35 VAL CB C 35 33.022 33.022 32.711 0.311 18411 7815 1 10 . 1 1 35 35 VAL H H 35 8.757 8.757 8.687 0.070 18411 7816 1 10 . 1 1 36 36 VAL N N 36 125.815 125.815 129.164 -3.349 18411 7817 1 10 . 1 1 36 36 VAL HA H 36 4.856 4.856 4.494 0.362 18411 7818 1 10 . 1 1 36 36 VAL C C 36 174.622 174.622 174.205 0.417 18411 7819 1 10 . 1 1 36 36 VAL CA C 36 60.078 60.078 60.447 -0.369 18411 7820 1 10 . 1 1 36 36 VAL CB C 36 35.605 35.605 32.888 2.717 18411 7821 1 10 . 1 1 36 36 VAL H H 36 8.485 8.485 8.323 0.162 18411 7822 1 10 . 1 1 37 37 MET N N 37 126.478 126.478 128.177 -1.699 18411 7823 1 10 . 1 1 37 37 MET HA H 37 5.383 5.383 5.031 0.352 18411 7824 1 10 . 1 1 37 37 MET C C 37 173.473 173.473 173.637 -0.164 18411 7825 1 10 . 1 1 37 37 MET CA C 37 53.661 53.661 54.316 -0.655 18411 7826 1 10 . 1 1 37 37 MET CB C 37 35.948 35.948 35.138 0.810 18411 7827 1 10 . 1 1 37 37 MET H H 37 8.694 8.694 8.930 -0.236 18411 7828 1 10 . 1 1 38 38 LEU N N 38 124.275 124.275 125.881 -1.606 18411 7829 1 10 . 1 1 38 38 LEU HA H 38 5.100 5.100 5.402 -0.302 18411 7830 1 10 . 1 1 38 38 LEU C C 38 175.828 175.828 175.214 0.614 18411 7831 1 10 . 1 1 38 38 LEU CA C 38 52.144 52.144 53.144 -1.000 18411 7832 1 10 . 1 1 38 38 LEU CB C 38 42.898 42.898 45.255 -2.357 18411 7833 1 10 . 1 1 38 38 LEU H H 38 9.181 9.181 9.158 0.023 18411 7834 1 10 . 1 1 39 39 GLN N N 39 124.390 124.390 117.920 6.470 18411 7835 1 10 . 1 1 39 39 GLN HA H 39 5.369 5.369 5.181 0.188 18411 7836 1 10 . 1 1 39 39 GLN C C 39 175.696 175.696 174.403 1.293 18411 7837 1 10 . 1 1 39 39 GLN CA C 39 54.025 54.025 53.685 0.340 18411 7838 1 10 . 1 1 39 39 GLN CB C 39 28.735 28.735 32.312 -3.577 18411 7839 1 10 . 1 1 39 39 GLN H H 39 8.325 8.325 8.217 0.108 18411 7840 1 10 . 1 1 40 40 PHE N N 40 128.800 128.800 121.404 7.396 18411 7841 1 10 . 1 1 40 40 PHE HA H 40 5.182 5.182 5.525 -0.343 18411 7842 1 10 . 1 1 40 40 PHE C C 40 175.432 175.432 175.657 -0.225 18411 7843 1 10 . 1 1 40 40 PHE CA C 40 59.370 59.370 57.118 2.252 18411 7844 1 10 . 1 1 40 40 PHE CB C 40 39.256 39.256 40.508 -1.252 18411 7845 1 10 . 1 1 40 40 PHE H H 40 8.899 8.899 9.234 -0.335 18411 7846 1 10 . 1 1 41 41 THR N N 41 117.616 117.616 116.407 1.209 18411 7847 1 10 . 1 1 41 41 THR HA H 41 5.274 5.274 4.653 0.621 18411 7848 1 10 . 1 1 41 41 THR C C 41 170.795 170.795 172.181 -1.386 18411 7849 1 10 . 1 1 41 41 THR CA C 41 59.448 59.448 59.245 0.203 18411 7850 1 10 . 1 1 41 41 THR CB C 41 70.892 70.892 71.319 -0.427 18411 7851 1 10 . 1 1 41 41 THR H H 41 8.589 8.589 8.975 -0.386 18411 7852 1 10 . 1 1 42 42 ALA N N 42 122.005 122.005 120.154 1.851 18411 7853 1 10 . 1 1 42 42 ALA HA H 42 4.162 4.162 4.875 -0.713 18411 7854 1 10 . 1 1 42 42 ALA C C 42 177.618 177.618 176.165 1.453 18411 7855 1 10 . 1 1 42 42 ALA CA C 42 52.454 52.454 50.917 1.537 18411 7856 1 10 . 1 1 42 42 ALA CB C 42 20.704 20.704 20.869 -0.165 18411 7857 1 10 . 1 1 42 42 ALA H H 42 7.201 7.201 7.501 -0.300 18411 7858 1 10 . 1 1 43 43 SER N N 43 117.426 117.426 116.044 1.382 18411 7859 1 10 . 1 1 43 43 SER HA H 43 1.542 1.542 3.365 -1.823 18411 7860 1 10 . 1 1 43 43 SER C C 43 174.845 174.845 175.232 -0.387 18411 7861 1 10 . 1 1 43 43 SER CA C 43 60.202 60.202 60.579 -0.377 18411 7862 1 10 . 1 1 43 43 SER CB C 43 63.040 63.040 63.523 -0.483 18411 7863 1 10 . 1 1 43 43 SER H H 43 9.472 9.472 9.060 0.412 18411 7864 1 10 . 1 1 44 44 TRP N N 44 116.512 116.512 117.630 -1.118 18411 7865 1 10 . 1 1 44 44 TRP HA H 44 4.495 4.495 4.921 -0.426 18411 7866 1 10 . 1 1 44 44 TRP C C 44 176.297 176.297 175.575 0.722 18411 7867 1 10 . 1 1 44 44 TRP CA C 44 53.405 53.405 54.881 -1.476 18411 7868 1 10 . 1 1 44 44 TRP CB C 44 29.450 29.450 28.692 0.758 18411 7869 1 10 . 1 1 44 44 TRP H H 44 6.345 6.345 7.399 -1.054 18411 7870 1 10 . 1 1 45 45 CYS N N 45 125.015 125.015 121.934 3.081 18411 7871 1 10 . 1 1 45 45 CYS HA H 45 4.501 4.501 4.061 0.440 18411 7872 1 10 . 1 1 45 45 CYS C C 45 176.409 176.409 176.086 0.323 18411 7873 1 10 . 1 1 45 45 CYS CA C 45 58.904 58.904 60.236 -1.332 18411 7874 1 10 . 1 1 45 45 CYS CB C 45 28.203 28.203 26.561 1.642 18411 7875 1 10 . 1 1 45 45 CYS H H 45 6.982 6.982 6.886 0.096 18411 7876 1 10 . 1 1 46 46 GLY CA C 46 47.225 47.225 46.707 0.518 18411 7877 1 10 . 1 1 47 47 VAL HA H 47 3.804 3.804 3.715 0.089 18411 7878 1 10 . 1 1 47 47 VAL CA C 47 66.661 66.661 65.188 1.473 18411 7879 1 10 . 1 1 47 47 VAL CB C 47 31.506 31.506 31.495 0.011 18411 7880 1 10 . 1 1 48 48 CYS HA H 48 3.875 3.875 4.244 -0.369 18411 7881 1 10 . 1 1 48 48 CYS C C 48 177.961 177.961 176.241 1.720 18411 7882 1 10 . 1 1 48 48 CYS CA C 48 65.053 65.053 61.727 3.326 18411 7883 1 10 . 1 1 48 48 CYS CB C 48 28.741 28.741 25.896 2.845 18411 7884 1 10 . 1 1 49 49 ARG N N 49 115.039 115.039 117.744 -2.705 18411 7885 1 10 . 1 1 49 49 ARG HA H 49 3.898 3.898 4.003 -0.105 18411 7886 1 10 . 1 1 49 49 ARG C C 49 177.871 177.871 176.864 1.007 18411 7887 1 10 . 1 1 49 49 ARG CA C 49 59.837 59.837 58.095 1.742 18411 7888 1 10 . 1 1 49 49 ARG CB C 49 30.585 30.585 29.654 0.931 18411 7889 1 10 . 1 1 49 49 ARG H H 49 7.658 7.658 7.666 -0.008 18411 7890 1 10 . 1 1 50 50 LYS N N 50 117.909 117.909 118.352 -0.443 18411 7891 1 10 . 1 1 50 50 LYS HA H 50 4.098 4.098 4.229 -0.131 18411 7892 1 10 . 1 1 50 50 LYS C C 50 177.723 177.723 177.377 0.346 18411 7893 1 10 . 1 1 50 50 LYS CA C 50 58.198 58.198 57.767 0.431 18411 7894 1 10 . 1 1 50 50 LYS CB C 50 32.803 32.803 32.927 -0.124 18411 7895 1 10 . 1 1 50 50 LYS H H 50 7.385 7.385 7.583 -0.198 18411 7896 1 10 . 1 1 51 51 GLU N N 51 117.196 117.196 120.689 -3.493 18411 7897 1 10 . 1 1 51 51 GLU HA H 51 3.453 3.453 3.280 0.173 18411 7898 1 10 . 1 1 51 51 GLU C C 51 179.194 179.194 178.760 0.434 18411 7899 1 10 . 1 1 51 51 GLU CA C 51 57.754 57.754 59.425 -1.671 18411 7900 1 10 . 1 1 51 51 GLU CB C 51 29.825 29.825 29.628 0.197 18411 7901 1 10 . 1 1 51 51 GLU H H 51 7.764 7.764 7.727 0.037 18411 7902 1 10 . 1 1 52 52 MET N N 52 118.785 118.785 117.092 1.693 18411 7903 1 10 . 1 1 52 52 MET HA H 52 3.979 3.979 4.549 -0.570 18411 7904 1 10 . 1 1 52 52 MET C C 52 174.346 174.346 175.816 -1.470 18411 7905 1 10 . 1 1 52 52 MET CA C 52 62.384 62.384 61.575 0.809 18411 7906 1 10 . 1 1 52 52 MET CB C 52 32.805 32.805 30.879 1.926 18411 7907 1 10 . 1 1 52 52 MET H H 52 8.100 8.100 8.192 -0.092 18411 7908 1 10 . 1 1 53 53 PRO HA H 53 4.299 4.299 4.341 -0.042 18411 7909 1 10 . 1 1 53 53 PRO C C 53 179.242 179.242 179.589 -0.347 18411 7910 1 10 . 1 1 53 53 PRO CA C 53 65.708 65.708 66.444 -0.736 18411 7911 1 10 . 1 1 53 53 PRO CB C 53 31.570 31.570 31.389 0.181 18411 7912 1 10 . 1 1 54 54 PHE N N 54 116.067 116.067 116.644 -0.577 18411 7913 1 10 . 1 1 54 54 PHE HA H 54 4.372 4.372 4.177 0.195 18411 7914 1 10 . 1 1 54 54 PHE C C 54 178.283 178.283 177.842 0.441 18411 7915 1 10 . 1 1 54 54 PHE CA C 54 61.249 61.249 62.612 -1.363 18411 7916 1 10 . 1 1 54 54 PHE CB C 54 38.366 38.366 38.440 -0.074 18411 7917 1 10 . 1 1 54 54 PHE H H 54 7.251 7.251 7.740 -0.489 18411 7918 1 10 . 1 1 55 55 ILE N N 55 122.051 122.051 120.463 1.588 18411 7919 1 10 . 1 1 55 55 ILE HA H 55 3.746 3.746 3.927 -0.181 18411 7920 1 10 . 1 1 55 55 ILE C C 55 179.005 179.005 178.145 0.860 18411 7921 1 10 . 1 1 55 55 ILE CA C 55 66.678 66.678 66.111 0.567 18411 7922 1 10 . 1 1 55 55 ILE CB C 55 37.449 37.449 37.812 -0.363 18411 7923 1 10 . 1 1 55 55 ILE H H 55 7.935 7.935 8.772 -0.837 18411 7924 1 10 . 1 1 56 56 GLU N N 56 120.941 120.941 120.564 0.377 18411 7925 1 10 . 1 1 56 56 GLU HA H 56 4.578 4.578 4.192 0.386 18411 7926 1 10 . 1 1 56 56 GLU C C 56 177.034 177.034 178.472 -1.438 18411 7927 1 10 . 1 1 56 56 GLU CA C 56 59.607 59.607 59.875 -0.268 18411 7928 1 10 . 1 1 56 56 GLU CB C 56 29.640 29.640 29.302 0.338 18411 7929 1 10 . 1 1 56 56 GLU H H 56 8.657 8.657 8.877 -0.220 18411 7930 1 10 . 1 1 57 57 LYS N N 57 114.712 114.712 118.643 -3.931 18411 7931 1 10 . 1 1 57 57 LYS HA H 57 4.165 4.165 3.957 0.208 18411 7932 1 10 . 1 1 57 57 LYS C C 57 177.831 177.831 178.916 -1.085 18411 7933 1 10 . 1 1 57 57 LYS CA C 57 59.905 59.905 59.698 0.207 18411 7934 1 10 . 1 1 57 57 LYS CB C 57 33.873 33.873 32.428 1.445 18411 7935 1 10 . 1 1 57 57 LYS H H 57 7.719 7.719 7.986 -0.267 18411 7936 1 10 . 1 1 58 58 ASP N N 58 114.953 114.953 116.935 -1.982 18411 7937 1 10 . 1 1 58 58 ASP HA H 58 4.843 4.843 4.774 0.069 18411 7938 1 10 . 1 1 58 58 ASP C C 58 176.515 176.515 179.322 -2.807 18411 7939 1 10 . 1 1 58 58 ASP CA C 58 56.125 56.125 56.276 -0.151 18411 7940 1 10 . 1 1 58 58 ASP CB C 58 42.087 42.087 42.247 -0.160 18411 7941 1 10 . 1 1 58 58 ASP H H 58 8.783 8.783 8.391 0.392 18411 7942 1 10 . 1 1 59 59 ILE N N 59 115.807 115.807 122.316 -6.509 18411 7943 1 10 . 1 1 59 59 ILE HA H 59 4.268 4.268 3.913 0.355 18411 7944 1 10 . 1 1 59 59 ILE C C 59 176.369 176.369 177.170 -0.801 18411 7945 1 10 . 1 1 59 59 ILE CA C 59 63.757 63.757 63.896 -0.139 18411 7946 1 10 . 1 1 59 59 ILE CB C 59 40.396 40.396 38.465 1.931 18411 7947 1 10 . 1 1 59 59 ILE H H 59 7.455 7.455 7.936 -0.481 18411 7948 1 10 . 1 1 60 60 TRP N N 60 120.937 120.937 120.533 0.404 18411 7949 1 10 . 1 1 60 60 TRP HA H 60 4.727 4.727 4.323 0.404 18411 7950 1 10 . 1 1 60 60 TRP C C 60 177.428 177.428 178.531 -1.103 18411 7951 1 10 . 1 1 60 60 TRP CA C 60 60.644 60.644 59.753 0.891 18411 7952 1 10 . 1 1 60 60 TRP CB C 60 30.907 30.907 30.497 0.410 18411 7953 1 10 . 1 1 60 60 TRP H H 60 9.012 9.012 8.581 0.431 18411 7954 1 10 . 1 1 61 61 LEU N N 61 113.624 113.624 118.811 -5.187 18411 7955 1 10 . 1 1 61 61 LEU HA H 61 3.572 3.572 3.841 -0.269 18411 7956 1 10 . 1 1 61 61 LEU C C 61 179.473 179.473 178.722 0.751 18411 7957 1 10 . 1 1 61 61 LEU CA C 61 57.569 57.569 57.839 -0.270 18411 7958 1 10 . 1 1 61 61 LEU CB C 61 41.040 41.040 41.446 -0.405 18411 7959 1 10 . 1 1 61 61 LEU H H 61 9.210 9.210 8.493 0.717 18411 7960 1 10 . 1 1 62 62 LYS N N 62 112.991 112.991 115.535 -2.544 18411 7961 1 10 . 1 1 62 62 LYS HA H 62 3.889 3.889 4.000 -0.111 18411 7962 1 10 . 1 1 62 62 LYS C C 62 178.111 178.111 177.054 1.057 18411 7963 1 10 . 1 1 62 62 LYS CA C 62 56.667 56.667 57.142 -0.475 18411 7964 1 10 . 1 1 62 62 LYS CB C 62 31.651 31.651 32.132 -0.481 18411 7965 1 10 . 1 1 62 62 LYS H H 62 6.216 6.216 7.631 -1.415 18411 7966 1 10 . 1 1 63 63 HIS N N 63 114.656 114.656 115.110 -0.454 18411 7967 1 10 . 1 1 63 63 HIS HA H 63 4.943 4.943 4.628 0.315 18411 7968 1 10 . 1 1 63 63 HIS C C 63 177.057 177.057 174.394 2.663 18411 7969 1 10 . 1 1 63 63 HIS CA C 63 56.133 56.133 53.776 2.357 18411 7970 1 10 . 1 1 63 63 HIS CB C 63 33.235 33.235 29.424 3.811 18411 7971 1 10 . 1 1 63 63 HIS H H 63 7.067 7.067 7.598 -0.531 18411 7972 1 10 . 1 1 64 64 LYS N N 64 119.155 119.155 122.177 -3.022 18411 7973 1 10 . 1 1 64 64 LYS HA H 64 3.513 3.513 2.913 0.600 18411 7974 1 10 . 1 1 64 64 LYS C C 64 177.074 177.074 177.079 -0.005 18411 7975 1 10 . 1 1 64 64 LYS CA C 64 59.166 59.166 57.399 1.767 18411 7976 1 10 . 1 1 64 64 LYS CB C 64 28.740 28.740 30.628 -1.888 18411 7977 1 10 . 1 1 64 64 LYS H H 64 8.114 8.114 7.754 0.360 18411 7978 1 10 . 1 1 65 65 ASP N N 65 117.882 117.882 124.948 -7.066 18411 7979 1 10 . 1 1 65 65 ASP HA H 65 4.714 4.714 4.648 0.066 18411 7980 1 10 . 1 1 65 65 ASP C C 65 175.195 175.195 177.581 -2.386 18411 7981 1 10 . 1 1 65 65 ASP CA C 65 54.204 54.204 57.306 -3.102 18411 7982 1 10 . 1 1 65 65 ASP CB C 65 40.564 40.564 40.423 0.141 18411 7983 1 10 . 1 1 65 65 ASP H H 65 7.963 7.963 8.957 -0.994 18411 7984 1 10 . 1 1 66 66 ASN N N 66 122.091 122.091 117.537 4.554 18411 7985 1 10 . 1 1 66 66 ASN HA H 66 4.659 4.659 4.249 0.410 18411 7986 1 10 . 1 1 66 66 ASN C C 66 176.046 176.046 174.758 1.288 18411 7987 1 10 . 1 1 66 66 ASN CA C 66 52.799 52.799 55.641 -2.841 18411 7988 1 10 . 1 1 66 66 ASN CB C 66 39.054 39.054 38.021 1.033 18411 7989 1 10 . 1 1 66 66 ASN H H 66 8.184 8.184 8.585 -0.401 18411 7990 1 10 . 1 1 67 67 ALA N N 67 128.893 128.893 118.878 10.015 18411 7991 1 10 . 1 1 67 67 ALA HA H 67 4.295 4.295 4.258 0.037 18411 7992 1 10 . 1 1 67 67 ALA C C 67 177.886 177.886 175.687 2.199 18411 7993 1 10 . 1 1 67 67 ALA CA C 67 54.049 54.049 52.882 1.167 18411 7994 1 10 . 1 1 67 67 ALA CB C 67 18.549 18.549 20.207 -1.658 18411 7995 1 10 . 1 1 67 67 ALA H H 67 8.806 8.806 8.483 0.323 18411 7996 1 10 . 1 1 68 68 ASP N N 68 116.612 116.612 116.707 -0.095 18411 7997 1 10 . 1 1 68 68 ASP HA H 68 4.823 4.823 4.836 -0.013 18411 7998 1 10 . 1 1 68 68 ASP C C 68 173.310 173.310 174.225 -0.915 18411 7999 1 10 . 1 1 68 68 ASP CA C 68 54.202 54.202 53.951 0.251 18411 8000 1 10 . 1 1 68 68 ASP CB C 68 40.892 40.892 41.689 -0.797 18411 8001 1 10 . 1 1 68 68 ASP H H 68 8.759 8.759 7.986 0.773 18411 8002 1 10 . 1 1 69 69 PHE N N 69 119.640 119.640 122.350 -2.710 18411 8003 1 10 . 1 1 69 69 PHE HA H 69 5.741 5.741 5.566 0.175 18411 8004 1 10 . 1 1 69 69 PHE C C 69 173.860 173.860 172.769 1.091 18411 8005 1 10 . 1 1 69 69 PHE CA C 69 56.192 56.192 56.166 0.026 18411 8006 1 10 . 1 1 69 69 PHE CB C 69 43.496 43.496 42.840 0.656 18411 8007 1 10 . 1 1 69 69 PHE H H 69 7.912 7.912 8.659 -0.747 18411 8008 1 10 . 1 1 70 70 ALA N N 70 130.226 130.226 129.292 0.934 18411 8009 1 10 . 1 1 70 70 ALA HA H 70 4.321 4.321 4.823 -0.502 18411 8010 1 10 . 1 1 70 70 ALA C C 70 171.945 171.945 174.283 -2.338 18411 8011 1 10 . 1 1 70 70 ALA CA C 70 51.573 51.573 49.930 1.643 18411 8012 1 10 . 1 1 70 70 ALA CB C 70 23.273 23.273 22.772 0.501 18411 8013 1 10 . 1 1 70 70 ALA H H 70 8.298 8.298 8.761 -0.463 18411 8014 1 10 . 1 1 71 71 LEU N N 71 122.090 122.090 123.930 -1.840 18411 8015 1 10 . 1 1 71 71 LEU HA H 71 5.120 5.120 5.177 -0.057 18411 8016 1 10 . 1 1 71 71 LEU C C 71 174.836 174.836 175.382 -0.546 18411 8017 1 10 . 1 1 71 71 LEU CA C 71 53.348 53.348 53.716 -0.368 18411 8018 1 10 . 1 1 71 71 LEU CB C 71 46.617 46.617 44.770 1.847 18411 8019 1 10 . 1 1 71 71 LEU H H 71 7.217 7.217 8.479 -1.262 18411 8020 1 10 . 1 1 72 72 ILE N N 72 123.189 123.189 124.839 -1.650 18411 8021 1 10 . 1 1 72 72 ILE HA H 72 4.336 4.336 4.661 -0.325 18411 8022 1 10 . 1 1 72 72 ILE C C 72 175.377 175.377 174.923 0.454 18411 8023 1 10 . 1 1 72 72 ILE CA C 72 60.236 60.236 59.759 0.477 18411 8024 1 10 . 1 1 72 72 ILE CB C 72 42.355 42.355 41.300 1.055 18411 8025 1 10 . 1 1 72 72 ILE H H 72 8.211 8.211 8.987 -0.776 18411 8026 1 10 . 1 1 73 73 GLY N N 73 114.189 114.189 115.194 -1.005 18411 8027 1 10 . 1 1 73 73 GLY C C 73 172.626 172.626 172.621 0.005 18411 8028 1 10 . 1 1 73 73 GLY CA C 73 44.213 44.213 43.859 0.354 18411 8029 1 10 . 1 1 73 73 GLY H H 73 9.202 9.202 8.562 0.640 18411 8030 1 10 . 1 1 74 74 ILE N N 74 126.577 126.577 124.711 1.866 18411 8031 1 10 . 1 1 74 74 ILE HA H 74 3.873 3.873 5.271 -1.398 18411 8032 1 10 . 1 1 74 74 ILE C C 74 174.792 174.792 174.231 0.561 18411 8033 1 10 . 1 1 74 74 ILE CA C 74 61.660 61.660 59.789 1.871 18411 8034 1 10 . 1 1 74 74 ILE CB C 74 37.394 37.394 41.794 -4.400 18411 8035 1 10 . 1 1 74 74 ILE H H 74 9.279 9.279 9.169 0.110 18411 8036 1 10 . 1 1 75 75 ASP N N 75 129.040 129.040 125.196 3.844 18411 8037 1 10 . 1 1 75 75 ASP HA H 75 5.213 5.213 5.523 -0.310 18411 8038 1 10 . 1 1 75 75 ASP C C 75 175.696 175.696 176.913 -1.217 18411 8039 1 10 . 1 1 75 75 ASP CA C 75 52.425 52.425 52.082 0.343 18411 8040 1 10 . 1 1 75 75 ASP CB C 75 41.673 41.673 44.036 -2.363 18411 8041 1 10 . 1 1 75 75 ASP H H 75 8.592 8.592 8.969 -0.377 18411 8042 1 10 . 1 1 76 76 ARG N N 76 128.762 128.762 126.209 2.553 18411 8043 1 10 . 1 1 76 76 ARG HA H 76 4.346 4.346 4.680 -0.334 18411 8044 1 10 . 1 1 76 76 ARG C C 76 174.562 174.562 176.390 -1.828 18411 8045 1 10 . 1 1 76 76 ARG CA C 76 58.885 58.885 57.122 1.763 18411 8046 1 10 . 1 1 76 76 ARG CB C 76 32.732 32.732 30.247 2.485 18411 8047 1 10 . 1 1 76 76 ARG H H 76 8.842 8.842 8.391 0.451 18411 8048 1 10 . 1 1 77 77 ASP N N 77 128.451 128.451 116.330 12.121 18411 8049 1 10 . 1 1 77 77 ASP HA H 77 4.473 4.473 4.821 -0.348 18411 8050 1 10 . 1 1 77 77 ASP C C 77 173.969 173.969 175.671 -1.702 18411 8051 1 10 . 1 1 77 77 ASP CA C 77 56.139 56.139 54.924 1.215 18411 8052 1 10 . 1 1 77 77 ASP CB C 77 42.541 42.541 43.517 -0.976 18411 8053 1 10 . 1 1 77 77 ASP H H 77 8.256 8.256 8.498 -0.242 18411 8054 1 10 . 1 1 78 78 GLU N N 78 114.796 114.796 121.588 -6.792 18411 8055 1 10 . 1 1 78 78 GLU HA H 78 5.060 5.060 4.635 0.425 18411 8056 1 10 . 1 1 78 78 GLU C C 78 174.225 174.225 174.722 -0.497 18411 8057 1 10 . 1 1 78 78 GLU CA C 78 54.220 54.220 55.132 -0.912 18411 8058 1 10 . 1 1 78 78 GLU CB C 78 32.842 32.842 30.093 2.749 18411 8059 1 10 . 1 1 78 78 GLU H H 78 8.010 8.010 8.723 -0.713 18411 8060 1 10 . 1 1 79 79 PRO HA H 79 4.579 4.579 4.522 0.057 18411 8061 1 10 . 1 1 79 79 PRO C C 79 177.508 177.508 177.743 -0.235 18411 8062 1 10 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.358 -0.291 18411 8063 1 10 . 1 1 79 79 PRO CB C 79 33.096 33.096 32.575 0.521 18411 8064 1 10 . 1 1 80 80 LEU N N 80 122.209 122.209 120.756 1.453 18411 8065 1 10 . 1 1 80 80 LEU HA H 80 3.927 3.927 3.905 0.022 18411 8066 1 10 . 1 1 80 80 LEU C C 80 177.847 177.847 178.782 -0.935 18411 8067 1 10 . 1 1 80 80 LEU CA C 80 59.188 59.188 59.495 -0.307 18411 8068 1 10 . 1 1 80 80 LEU CB C 80 42.001 42.001 40.964 1.037 18411 8069 1 10 . 1 1 80 80 LEU H H 80 8.943 8.943 8.436 0.507 18411 8070 1 10 . 1 1 81 81 GLU N N 81 115.361 115.361 117.631 -2.270 18411 8071 1 10 . 1 1 81 81 GLU HA H 81 3.999 3.999 4.059 -0.060 18411 8072 1 10 . 1 1 81 81 GLU C C 81 180.044 180.044 178.931 1.113 18411 8073 1 10 . 1 1 81 81 GLU CA C 81 60.552 60.552 59.150 1.402 18411 8074 1 10 . 1 1 81 81 GLU CB C 81 28.723 28.723 28.271 0.452 18411 8075 1 10 . 1 1 81 81 GLU H H 81 9.534 9.534 8.929 0.605 18411 8076 1 10 . 1 1 82 82 LYS N N 82 118.582 118.582 119.781 -1.199 18411 8077 1 10 . 1 1 82 82 LYS HA H 82 4.183 4.183 4.126 0.057 18411 8078 1 10 . 1 1 82 82 LYS C C 82 179.226 179.226 178.600 0.626 18411 8079 1 10 . 1 1 82 82 LYS CA C 82 58.248 58.248 58.416 -0.168 18411 8080 1 10 . 1 1 82 82 LYS CB C 82 32.912 32.912 31.843 1.069 18411 8081 1 10 . 1 1 82 82 LYS H H 82 7.332 7.332 7.439 -0.106 18411 8082 1 10 . 1 1 83 83 VAL N N 83 122.971 122.971 120.868 2.103 18411 8083 1 10 . 1 1 83 83 VAL HA H 83 3.554 3.554 3.754 -0.200 18411 8084 1 10 . 1 1 83 83 VAL C C 83 178.331 178.331 178.445 -0.114 18411 8085 1 10 . 1 1 83 83 VAL CA C 83 67.063 67.063 66.286 0.777 18411 8086 1 10 . 1 1 83 83 VAL CB C 83 31.497 31.497 31.110 0.386 18411 8087 1 10 . 1 1 83 83 VAL H H 83 7.743 7.743 7.899 -0.156 18411 8088 1 10 . 1 1 84 84 LEU N N 84 119.209 119.209 119.565 -0.356 18411 8089 1 10 . 1 1 84 84 LEU HA H 84 4.030 4.030 4.062 -0.032 18411 8090 1 10 . 1 1 84 84 LEU C C 84 180.647 180.647 179.214 1.433 18411 8091 1 10 . 1 1 84 84 LEU CA C 84 57.975 57.975 57.686 0.289 18411 8092 1 10 . 1 1 84 84 LEU CB C 84 42.010 42.010 40.033 1.977 18411 8093 1 10 . 1 1 84 84 LEU H H 84 8.706 8.706 8.810 -0.104 18411 8094 1 10 . 1 1 85 85 ALA N N 85 120.801 120.801 121.850 -1.049 18411 8095 1 10 . 1 1 85 85 ALA HA H 85 4.198 4.198 4.101 0.097 18411 8096 1 10 . 1 1 85 85 ALA C C 85 180.253 180.253 179.212 1.041 18411 8097 1 10 . 1 1 85 85 ALA CA C 85 54.947 54.947 54.784 0.163 18411 8098 1 10 . 1 1 85 85 ALA CB C 85 17.973 17.973 18.461 -0.488 18411 8099 1 10 . 1 1 85 85 ALA H H 85 7.440 7.440 7.764 -0.324 18411 8100 1 10 . 1 1 86 86 PHE N N 86 123.035 123.035 119.336 3.699 18411 8101 1 10 . 1 1 86 86 PHE HA H 86 4.905 4.905 4.065 0.840 18411 8102 1 10 . 1 1 86 86 PHE C C 86 179.015 179.015 177.093 1.922 18411 8103 1 10 . 1 1 86 86 PHE CA C 86 56.648 56.648 60.815 -4.167 18411 8104 1 10 . 1 1 86 86 PHE CB C 86 39.249 39.249 39.446 -0.197 18411 8105 1 10 . 1 1 86 86 PHE H H 86 8.040 8.040 8.129 -0.089 18411 8106 1 10 . 1 1 87 87 ALA N N 87 123.932 123.932 121.538 2.394 18411 8107 1 10 . 1 1 87 87 ALA HA H 87 3.480 3.480 3.869 -0.389 18411 8108 1 10 . 1 1 87 87 ALA C C 87 179.800 179.800 179.625 0.175 18411 8109 1 10 . 1 1 87 87 ALA CA C 87 55.183 55.183 54.830 0.353 18411 8110 1 10 . 1 1 87 87 ALA CB C 87 17.602 17.602 18.535 -0.933 18411 8111 1 10 . 1 1 87 87 ALA H H 87 8.453 8.453 8.414 0.039 18411 8112 1 10 . 1 1 88 88 LYS N N 88 116.535 116.535 117.369 -0.834 18411 8113 1 10 . 1 1 88 88 LYS HA H 88 4.030 4.030 4.003 0.027 18411 8114 1 10 . 1 1 88 88 LYS C C 88 179.562 179.562 178.741 0.821 18411 8115 1 10 . 1 1 88 88 LYS CA C 88 59.063 59.063 58.817 0.246 18411 8116 1 10 . 1 1 88 88 LYS CB C 88 32.466 32.466 31.889 0.577 18411 8117 1 10 . 1 1 88 88 LYS H H 88 7.664 7.664 7.796 -0.132 18411 8118 1 10 . 1 1 89 89 SER N N 89 113.619 113.619 115.643 -2.024 18411 8119 1 10 . 1 1 89 89 SER HA H 89 4.271 4.271 4.424 -0.153 18411 8120 1 10 . 1 1 89 89 SER C C 89 177.004 177.004 174.945 2.059 18411 8121 1 10 . 1 1 89 89 SER CA C 89 61.139 61.139 60.280 0.859 18411 8122 1 10 . 1 1 89 89 SER CB C 89 63.327 63.327 63.137 0.190 18411 8123 1 10 . 1 1 89 89 SER H H 89 8.417 8.417 7.934 0.483 18411 8124 1 10 . 1 1 90 90 THR N N 90 109.601 109.601 109.233 0.368 18411 8125 1 10 . 1 1 90 90 THR HA H 90 4.287 4.287 4.625 -0.338 18411 8126 1 10 . 1 1 90 90 THR C C 90 176.074 176.074 175.064 1.010 18411 8127 1 10 . 1 1 90 90 THR CA C 90 62.926 62.926 61.144 1.782 18411 8128 1 10 . 1 1 90 90 THR CB C 90 70.563 70.563 70.310 0.253 18411 8129 1 10 . 1 1 90 90 THR H H 90 7.710 7.710 7.690 0.020 18411 8130 1 10 . 1 1 91 91 GLY N N 91 110.243 110.243 111.330 -1.087 18411 8131 1 10 . 1 1 91 91 GLY C C 91 174.815 174.815 173.919 0.896 18411 8132 1 10 . 1 1 91 91 GLY CA C 91 46.042 46.042 45.367 0.675 18411 8133 1 10 . 1 1 91 91 GLY H H 91 7.609 7.609 7.611 -0.002 18411 8134 1 10 . 1 1 92 92 VAL N N 92 112.099 112.099 122.103 -10.004 18411 8135 1 10 . 1 1 92 92 VAL HA H 92 4.309 4.309 3.515 0.794 18411 8136 1 10 . 1 1 92 92 VAL C C 92 178.372 178.372 175.941 2.431 18411 8137 1 10 . 1 1 92 92 VAL CA C 92 60.696 60.696 62.902 -2.206 18411 8138 1 10 . 1 1 92 92 VAL CB C 92 32.337 32.337 29.887 2.450 18411 8139 1 10 . 1 1 92 92 VAL H H 92 7.046 7.046 7.888 -0.842 18411 8140 1 10 . 1 1 93 93 THR N N 93 114.289 114.289 114.231 0.058 18411 8141 1 10 . 1 1 93 93 THR HA H 93 4.457 4.457 4.544 -0.087 18411 8142 1 10 . 1 1 93 93 THR C C 93 175.115 175.115 174.336 0.779 18411 8143 1 10 . 1 1 93 93 THR CA C 93 61.280 61.280 61.708 -0.428 18411 8144 1 10 . 1 1 93 93 THR CB C 93 70.314 70.314 69.845 0.469 18411 8145 1 10 . 1 1 93 93 THR H H 93 10.844 10.844 9.307 1.537 18411 8146 1 10 . 1 1 94 94 TYR N N 94 122.050 122.050 120.412 1.638 18411 8147 1 10 . 1 1 94 94 TYR HA H 94 3.740 3.740 4.691 -0.951 18411 8148 1 10 . 1 1 94 94 TYR C C 94 171.563 171.563 172.864 -1.301 18411 8149 1 10 . 1 1 94 94 TYR CA C 94 53.080 53.080 53.034 0.046 18411 8150 1 10 . 1 1 94 94 TYR CB C 94 34.195 34.195 37.138 -2.943 18411 8151 1 10 . 1 1 94 94 TYR H H 94 6.391 6.391 7.047 -0.656 18411 8152 1 10 . 1 1 95 95 PRO HA H 95 4.105 4.105 4.324 -0.219 18411 8153 1 10 . 1 1 95 95 PRO C C 95 175.152 175.152 175.458 -0.306 18411 8154 1 10 . 1 1 95 95 PRO CA C 95 63.799 63.799 62.865 0.934 18411 8155 1 10 . 1 1 95 95 PRO CB C 95 32.919 32.919 32.311 0.608 18411 8156 1 10 . 1 1 96 96 LEU N N 96 122.325 122.325 123.200 -0.875 18411 8157 1 10 . 1 1 96 96 LEU HA H 96 5.143 5.143 5.289 -0.146 18411 8158 1 10 . 1 1 96 96 LEU C C 96 176.072 176.072 176.551 -0.479 18411 8159 1 10 . 1 1 96 96 LEU CA C 96 52.794 52.794 53.480 -0.686 18411 8160 1 10 . 1 1 96 96 LEU CB C 96 45.567 45.567 45.346 0.221 18411 8161 1 10 . 1 1 96 96 LEU H H 96 8.256 8.256 8.393 -0.137 18411 8162 1 10 . 1 1 97 97 GLY N N 97 107.295 107.295 108.310 -1.015 18411 8163 1 10 . 1 1 97 97 GLY C C 97 171.546 171.546 172.232 -0.686 18411 8164 1 10 . 1 1 97 97 GLY CA C 97 44.069 44.069 43.668 0.401 18411 8165 1 10 . 1 1 97 97 GLY H H 97 9.177 9.177 9.200 -0.023 18411 8166 1 10 . 1 1 98 98 LEU N N 98 118.550 118.550 118.998 -0.448 18411 8167 1 10 . 1 1 98 98 LEU HA H 98 4.872 4.872 5.334 -0.462 18411 8168 1 10 . 1 1 98 98 LEU C C 98 176.132 176.132 175.102 1.030 18411 8169 1 10 . 1 1 98 98 LEU CA C 98 54.460 54.460 53.109 1.351 18411 8170 1 10 . 1 1 98 98 LEU CB C 98 43.567 43.567 44.505 -0.938 18411 8171 1 10 . 1 1 98 98 LEU H H 98 8.106 8.106 8.753 -0.647 18411 8172 1 10 . 1 1 99 99 ASP N N 99 118.061 118.061 121.317 -3.256 18411 8173 1 10 . 1 1 99 99 ASP HA H 99 5.403 5.403 5.059 0.344 18411 8174 1 10 . 1 1 99 99 ASP C C 99 175.069 175.069 174.008 1.061 18411 8175 1 10 . 1 1 99 99 ASP CA C 99 51.057 51.057 51.158 -0.101 18411 8176 1 10 . 1 1 99 99 ASP CB C 99 42.069 42.069 41.282 0.787 18411 8177 1 10 . 1 1 99 99 ASP H H 99 8.481 8.481 9.135 -0.654 18411 8178 1 10 . 1 1 100 100 PRO HA H 100 4.564 4.564 4.287 0.277 18411 8179 1 10 . 1 1 100 100 PRO C C 100 179.600 179.600 177.296 2.304 18411 8180 1 10 . 1 1 100 100 PRO CA C 100 64.020 64.020 63.473 0.547 18411 8181 1 10 . 1 1 100 100 PRO CB C 100 31.455 31.455 31.174 0.281 18411 8182 1 10 . 1 1 101 101 GLY N N 101 114.780 114.780 110.474 4.306 18411 8183 1 10 . 1 1 101 101 GLY C C 101 173.600 173.600 174.539 -0.939 18411 8184 1 10 . 1 1 101 101 GLY CA C 101 46.175 46.175 45.011 1.164 18411 8185 1 10 . 1 1 101 101 GLY H H 101 9.045 9.045 8.720 0.325 18411 8186 1 10 . 1 1 102 102 ALA N N 102 117.089 117.089 119.272 -2.183 18411 8187 1 10 . 1 1 102 102 ALA HA H 102 4.376 4.376 4.030 0.346 18411 8188 1 10 . 1 1 102 102 ALA C C 102 175.955 175.955 177.040 -1.085 18411 8189 1 10 . 1 1 102 102 ALA CA C 102 52.693 52.693 52.694 -0.001 18411 8190 1 10 . 1 1 102 102 ALA CB C 102 18.256 18.256 17.462 0.794 18411 8191 1 10 . 1 1 102 102 ALA H H 102 8.257 8.257 8.212 0.045 18411 8192 1 10 . 1 1 103 103 ASP N N 103 118.691 118.691 118.776 -0.085 18411 8193 1 10 . 1 1 103 103 ASP HA H 103 4.444 4.444 4.418 0.026 18411 8194 1 10 . 1 1 103 103 ASP C C 103 179.021 179.021 177.789 1.232 18411 8195 1 10 . 1 1 103 103 ASP CA C 103 57.935 57.935 56.907 1.028 18411 8196 1 10 . 1 1 103 103 ASP CB C 103 41.368 41.368 41.445 -0.077 18411 8197 1 10 . 1 1 103 103 ASP H H 103 6.739 6.739 8.089 -1.350 18411 8198 1 10 . 1 1 104 104 ILE N N 104 126.075 126.075 119.743 6.332 18411 8199 1 10 . 1 1 104 104 ILE HA H 104 3.682 3.682 3.778 -0.096 18411 8200 1 10 . 1 1 104 104 ILE C C 104 179.321 179.321 177.503 1.818 18411 8201 1 10 . 1 1 104 104 ILE CA C 104 66.522 66.522 62.467 4.055 18411 8202 1 10 . 1 1 104 104 ILE CB C 104 36.754 36.754 37.101 -0.347 18411 8203 1 10 . 1 1 104 104 ILE H H 104 11.476 11.476 7.859 3.616 18411 8204 1 10 . 1 1 105 105 PHE N N 105 124.513 124.513 119.876 4.637 18411 8205 1 10 . 1 1 105 105 PHE HA H 105 3.646 3.646 3.405 0.241 18411 8206 1 10 . 1 1 105 105 PHE C C 105 177.818 177.818 176.383 1.435 18411 8207 1 10 . 1 1 105 105 PHE CA C 105 62.948 62.948 61.247 1.701 18411 8208 1 10 . 1 1 105 105 PHE CB C 105 38.350 38.350 39.062 -0.712 18411 8209 1 10 . 1 1 105 105 PHE H H 105 9.473 9.473 9.034 0.439 18411 8210 1 10 . 1 1 106 106 ALA N N 106 115.835 115.835 119.285 -3.450 18411 8211 1 10 . 1 1 106 106 ALA HA H 106 4.927 4.927 4.435 0.492 18411 8212 1 10 . 1 1 106 106 ALA C C 106 179.271 179.271 178.042 1.229 18411 8213 1 10 . 1 1 106 106 ALA CA C 106 52.672 52.672 53.626 -0.954 18411 8214 1 10 . 1 1 106 106 ALA CB C 106 19.093 19.093 18.267 0.826 18411 8215 1 10 . 1 1 106 106 ALA H H 106 8.418 8.418 7.414 1.004 18411 8216 1 10 . 1 1 107 107 LYS N N 107 116.823 116.823 116.318 0.505 18411 8217 1 10 . 1 1 107 107 LYS HA H 107 4.145 4.145 4.035 0.110 18411 8218 1 10 . 1 1 107 107 LYS C C 107 176.006 176.006 176.689 -0.683 18411 8219 1 10 . 1 1 107 107 LYS CA C 107 57.980 57.980 58.024 -0.044 18411 8220 1 10 . 1 1 107 107 LYS CB C 107 33.041 33.041 31.978 1.063 18411 8221 1 10 . 1 1 107 107 LYS H H 107 8.106 8.106 7.492 0.614 18411 8222 1 10 . 1 1 108 108 TYR N N 108 114.793 114.793 114.561 0.232 18411 8223 1 10 . 1 1 108 108 TYR HA H 108 4.311 4.311 4.552 -0.241 18411 8224 1 10 . 1 1 108 108 TYR C C 108 176.010 176.010 174.540 1.470 18411 8225 1 10 . 1 1 108 108 TYR CA C 108 59.270 59.270 58.803 0.467 18411 8226 1 10 . 1 1 108 108 TYR CB C 108 40.965 40.965 41.574 -0.609 18411 8227 1 10 . 1 1 108 108 TYR H H 108 7.811 7.811 7.338 0.473 18411 8228 1 10 . 1 1 109 109 ALA N N 109 125.709 125.709 119.179 6.530 18411 8229 1 10 . 1 1 109 109 ALA HA H 109 4.760 4.760 4.920 -0.160 18411 8230 1 10 . 1 1 109 109 ALA C C 109 174.711 174.711 175.096 -0.385 18411 8231 1 10 . 1 1 109 109 ALA CA C 109 50.276 50.276 49.267 1.009 18411 8232 1 10 . 1 1 109 109 ALA CB C 109 21.924 21.924 21.445 0.479 18411 8233 1 10 . 1 1 109 109 ALA H H 109 8.595 8.595 7.973 0.622 18411 8234 1 10 . 1 1 110 110 LEU N N 110 117.834 117.834 118.708 -0.874 18411 8235 1 10 . 1 1 110 110 LEU HA H 110 4.137 4.137 4.496 -0.359 18411 8236 1 10 . 1 1 110 110 LEU C C 110 179.153 179.153 178.753 0.400 18411 8237 1 10 . 1 1 110 110 LEU CA C 110 55.164 55.164 53.998 1.166 18411 8238 1 10 . 1 1 110 110 LEU CB C 110 42.292 42.292 42.865 -0.573 18411 8239 1 10 . 1 1 110 110 LEU H H 110 7.814 7.814 7.991 -0.177 18411 8240 1 10 . 1 1 111 111 ARG N N 111 119.787 119.787 120.250 -0.463 18411 8241 1 10 . 1 1 111 111 ARG HA H 111 3.916 3.916 4.231 -0.315 18411 8242 1 10 . 1 1 111 111 ARG C C 111 176.962 176.962 176.370 0.592 18411 8243 1 10 . 1 1 111 111 ARG CA C 111 60.538 60.538 58.732 1.806 18411 8244 1 10 . 1 1 111 111 ARG CB C 111 30.424 30.424 30.173 0.251 18411 8245 1 10 . 1 1 111 111 ARG H H 111 8.655 8.655 8.774 -0.119 18411 8246 1 10 . 1 1 112 112 ASP N N 112 113.338 113.338 114.311 -0.973 18411 8247 1 10 . 1 1 112 112 ASP HA H 112 4.662 4.662 4.571 0.091 18411 8248 1 10 . 1 1 112 112 ASP C C 112 176.387 176.387 176.048 0.339 18411 8249 1 10 . 1 1 112 112 ASP CA C 112 52.833 52.833 53.105 -0.272 18411 8250 1 10 . 1 1 112 112 ASP CB C 112 40.135 40.135 40.595 -0.460 18411 8251 1 10 . 1 1 112 112 ASP H H 112 8.205 8.205 8.186 0.019 18411 8252 1 10 . 1 1 113 113 ALA N N 113 122.885 122.885 123.542 -0.657 18411 8253 1 10 . 1 1 113 113 ALA HA H 113 4.347 4.347 4.451 -0.104 18411 8254 1 10 . 1 1 113 113 ALA C C 113 177.740 177.740 177.858 -0.118 18411 8255 1 10 . 1 1 113 113 ALA CA C 113 51.983 51.983 52.723 -0.740 18411 8256 1 10 . 1 1 113 113 ALA CB C 113 20.558 20.558 20.088 0.470 18411 8257 1 10 . 1 1 113 113 ALA H H 113 7.919 7.919 7.552 0.367 18411 8258 1 10 . 1 1 114 114 GLY CA C 114 45.480 45.480 44.644 0.836 18411 8259 1 10 . 1 1 115 115 ILE N N 115 122.165 122.165 122.757 -0.592 18411 8260 1 10 . 1 1 115 115 ILE HA H 115 4.119 4.119 4.021 0.098 18411 8261 1 10 . 1 1 115 115 ILE CA C 115 60.788 60.788 60.540 0.248 18411 8262 1 10 . 1 1 115 115 ILE CB C 115 39.651 39.651 39.394 0.257 18411 8263 1 10 . 1 1 115 115 ILE H H 115 8.253 8.253 8.115 0.138 18411 8264 1 10 . 1 1 116 116 THR N N 116 110.198 110.198 113.320 -3.122 18411 8265 1 10 . 1 1 116 116 THR HA H 116 4.101 4.101 4.046 0.054 18411 8266 1 10 . 1 1 116 116 THR CA C 116 62.947 62.947 63.650 -0.703 18411 8267 1 10 . 1 1 116 116 THR CB C 116 69.031 69.031 66.553 2.478 18411 8268 1 10 . 1 1 116 116 THR H H 116 7.033 7.033 8.157 -1.124 18411 8269 1 10 . 1 1 117 117 ARG N N 117 130.624 130.624 122.909 7.715 18411 8270 1 10 . 1 1 117 117 ARG HA H 117 4.997 4.997 5.244 -0.247 18411 8271 1 10 . 1 1 117 117 ARG C C 117 173.296 173.296 174.616 -1.320 18411 8272 1 10 . 1 1 117 117 ARG CA C 117 56.468 56.468 54.894 1.574 18411 8273 1 10 . 1 1 117 117 ARG CB C 117 31.949 31.949 34.733 -2.784 18411 8274 1 10 . 1 1 117 117 ARG H H 117 8.250 8.250 8.029 0.221 18411 8275 1 10 . 1 1 118 118 ASN N N 118 118.226 118.226 122.675 -4.449 18411 8276 1 10 . 1 1 118 118 ASN HA H 118 6.127 6.127 5.384 0.743 18411 8277 1 10 . 1 1 118 118 ASN C C 118 173.805 173.805 173.601 0.204 18411 8278 1 10 . 1 1 118 118 ASN CA C 118 51.759 51.759 52.544 -0.785 18411 8279 1 10 . 1 1 118 118 ASN CB C 118 41.892 41.892 41.270 0.621 18411 8280 1 10 . 1 1 118 118 ASN H H 118 7.730 7.730 9.332 -1.602 18411 8281 1 10 . 1 1 119 119 VAL N N 119 120.477 120.477 124.458 -3.981 18411 8282 1 10 . 1 1 119 119 VAL HA H 119 4.766 4.766 5.117 -0.351 18411 8283 1 10 . 1 1 119 119 VAL C C 119 173.809 173.809 173.791 0.018 18411 8284 1 10 . 1 1 119 119 VAL CA C 119 60.808 60.808 60.045 0.763 18411 8285 1 10 . 1 1 119 119 VAL CB C 119 35.887 35.887 34.752 1.135 18411 8286 1 10 . 1 1 119 119 VAL H H 119 9.269 9.269 9.152 0.117 18411 8287 1 10 . 1 1 120 120 LEU N N 120 128.017 128.017 128.800 -0.783 18411 8288 1 10 . 1 1 120 120 LEU HA H 120 5.350 5.350 5.011 0.339 18411 8289 1 10 . 1 1 120 120 LEU C C 120 174.606 174.606 174.402 0.204 18411 8290 1 10 . 1 1 120 120 LEU CA C 120 53.563 53.563 53.682 -0.119 18411 8291 1 10 . 1 1 120 120 LEU CB C 120 46.211 46.211 45.731 0.480 18411 8292 1 10 . 1 1 120 120 LEU H H 120 8.829 8.829 8.537 0.292 18411 8293 1 10 . 1 1 121 121 ILE N N 121 131.629 131.629 127.934 3.695 18411 8294 1 10 . 1 1 121 121 ILE HA H 121 4.799 4.799 4.970 -0.171 18411 8295 1 10 . 1 1 121 121 ILE C C 121 174.731 174.731 175.028 -0.297 18411 8296 1 10 . 1 1 121 121 ILE CA C 121 60.450 60.450 59.349 1.101 18411 8297 1 10 . 1 1 121 121 ILE CB C 121 41.651 41.651 40.850 0.801 18411 8298 1 10 . 1 1 121 121 ILE H H 121 9.659 9.659 9.200 0.459 18411 8299 1 10 . 1 1 122 122 ASP N N 122 124.197 124.197 127.324 -3.127 18411 8300 1 10 . 1 1 122 122 ASP HA H 122 4.513 4.513 4.802 -0.289 18411 8301 1 10 . 1 1 122 122 ASP C C 122 177.586 177.586 177.401 0.185 18411 8302 1 10 . 1 1 122 122 ASP CA C 122 52.442 52.442 53.395 -0.953 18411 8303 1 10 . 1 1 122 122 ASP CB C 122 41.476 41.476 42.786 -1.310 18411 8304 1 10 . 1 1 122 122 ASP H H 122 9.128 9.128 9.025 0.103 18411 8305 1 10 . 1 1 123 123 ARG N N 123 113.396 113.396 116.693 -3.297 18411 8306 1 10 . 1 1 123 123 ARG HA H 123 4.186 4.186 4.266 -0.080 18411 8307 1 10 . 1 1 123 123 ARG C C 123 178.717 178.717 177.083 1.634 18411 8308 1 10 . 1 1 123 123 ARG CA C 123 58.243 58.243 58.233 0.010 18411 8309 1 10 . 1 1 123 123 ARG CB C 123 30.783 30.783 29.705 1.078 18411 8310 1 10 . 1 1 123 123 ARG H H 123 7.870 7.870 8.653 -0.783 18411 8311 1 10 . 1 1 124 124 GLU N N 124 117.427 117.427 118.481 -1.054 18411 8312 1 10 . 1 1 124 124 GLU HA H 124 4.310 4.310 4.128 0.182 18411 8313 1 10 . 1 1 124 124 GLU C C 124 176.034 176.034 177.095 -1.061 18411 8314 1 10 . 1 1 124 124 GLU CA C 124 56.164 56.164 57.491 -1.327 18411 8315 1 10 . 1 1 124 124 GLU CB C 124 30.541 30.541 30.226 0.315 18411 8316 1 10 . 1 1 124 124 GLU H H 124 8.155 8.155 8.534 -0.379 18411 8317 1 10 . 1 1 125 125 GLY N N 125 105.681 105.681 105.488 0.193 18411 8318 1 10 . 1 1 125 125 GLY C C 125 174.204 174.204 173.376 0.828 18411 8319 1 10 . 1 1 125 125 GLY CA C 125 45.160 45.160 44.730 0.430 18411 8320 1 10 . 1 1 125 125 GLY H H 125 8.094 8.094 7.896 0.198 18411 8321 1 10 . 1 1 126 126 LYS N N 126 122.326 122.326 120.815 1.511 18411 8322 1 10 . 1 1 126 126 LYS HA H 126 4.647 4.647 5.301 -0.654 18411 8323 1 10 . 1 1 126 126 LYS C C 126 176.390 176.390 176.012 0.378 18411 8324 1 10 . 1 1 126 126 LYS CA C 126 55.393 55.393 54.482 0.911 18411 8325 1 10 . 1 1 126 126 LYS CB C 126 33.569 33.569 35.094 -1.525 18411 8326 1 10 . 1 1 126 126 LYS H H 126 8.502 8.502 8.856 -0.354 18411 8327 1 10 . 1 1 127 127 ILE N N 127 121.946 121.946 122.407 -0.461 18411 8328 1 10 . 1 1 127 127 ILE HA H 127 4.048 4.048 4.386 -0.338 18411 8329 1 10 . 1 1 127 127 ILE C C 127 177.735 177.735 176.919 0.816 18411 8330 1 10 . 1 1 127 127 ILE CA C 127 63.200 63.200 61.208 1.992 18411 8331 1 10 . 1 1 127 127 ILE CB C 127 38.106 38.106 36.873 1.232 18411 8332 1 10 . 1 1 127 127 ILE H H 127 8.739 8.739 9.122 -0.383 18411 8333 1 10 . 1 1 128 128 VAL N N 128 122.026 122.026 122.537 -0.511 18411 8334 1 10 . 1 1 128 128 VAL HA H 128 4.695 4.695 4.433 0.262 18411 8335 1 10 . 1 1 128 128 VAL C C 128 175.968 175.968 175.234 0.734 18411 8336 1 10 . 1 1 128 128 VAL CA C 128 61.535 61.535 60.922 0.613 18411 8337 1 10 . 1 1 128 128 VAL CB C 128 33.996 33.996 32.699 1.298 18411 8338 1 10 . 1 1 128 128 VAL H H 128 9.397 9.397 9.120 0.277 18411 8339 1 10 . 1 1 129 129 LYS N N 129 121.635 121.635 120.202 1.433 18411 8340 1 10 . 1 1 129 129 LYS HA H 129 4.359 4.359 4.437 -0.078 18411 8341 1 10 . 1 1 129 129 LYS C C 129 172.896 172.896 173.665 -0.769 18411 8342 1 10 . 1 1 129 129 LYS CA C 129 57.322 57.322 56.335 0.987 18411 8343 1 10 . 1 1 129 129 LYS CB C 129 36.802 36.802 35.032 1.770 18411 8344 1 10 . 1 1 129 129 LYS H H 129 7.708 7.708 7.373 0.335 18411 8345 1 10 . 1 1 130 130 LEU N N 130 126.219 126.219 126.939 -0.720 18411 8346 1 10 . 1 1 130 130 LEU HA H 130 5.140 5.140 5.156 -0.016 18411 8347 1 10 . 1 1 130 130 LEU C C 130 176.956 176.956 176.422 0.534 18411 8348 1 10 . 1 1 130 130 LEU CA C 130 53.572 53.572 53.642 -0.070 18411 8349 1 10 . 1 1 130 130 LEU CB C 130 44.700 44.700 42.492 2.208 18411 8350 1 10 . 1 1 130 130 LEU H H 130 8.301 8.301 8.487 -0.186 18411 8351 1 10 . 1 1 131 131 THR N N 131 113.484 113.484 120.786 -7.302 18411 8352 1 10 . 1 1 131 131 THR HA H 131 5.136 5.136 4.672 0.464 18411 8353 1 10 . 1 1 131 131 THR C C 131 175.492 175.492 173.516 1.976 18411 8354 1 10 . 1 1 131 131 THR CA C 131 61.033 61.033 61.208 -0.175 18411 8355 1 10 . 1 1 131 131 THR CB C 131 70.922 70.922 71.620 -0.698 18411 8356 1 10 . 1 1 131 131 THR H H 131 9.298 9.298 8.990 0.308 18411 8357 1 10 . 1 1 132 132 ARG HA H 132 5.150 5.150 4.872 0.278 18411 8358 1 10 . 1 1 132 132 ARG CA C 132 55.585 55.585 54.671 0.914 18411 8359 1 10 . 1 1 132 132 ARG CB C 132 33.035 33.035 30.585 2.450 18411 8360 1 10 . 1 1 133 133 LEU N N 133 118.967 118.967 125.491 -6.524 18411 8361 1 10 . 1 1 133 133 LEU HA H 133 4.302 4.302 4.049 0.253 18411 8362 1 10 . 1 1 133 133 LEU CA C 133 56.200 56.200 55.627 0.573 18411 8363 1 10 . 1 1 133 133 LEU CB C 133 41.616 41.616 42.193 -0.577 18411 8364 1 10 . 1 1 133 133 LEU H H 133 8.167 8.167 8.888 -0.721 18411 8365 1 10 . 1 1 134 134 TYR N N 134 124.816 124.816 124.037 0.779 18411 8366 1 10 . 1 1 134 134 TYR HA H 134 4.963 4.963 4.411 0.552 18411 8367 1 10 . 1 1 134 134 TYR CA C 134 57.154 57.154 58.149 -0.995 18411 8368 1 10 . 1 1 134 134 TYR CB C 134 38.948 38.948 38.040 0.908 18411 8369 1 10 . 1 1 134 134 TYR H H 134 7.805 7.805 8.698 -0.893 18411 8370 1 10 . 1 1 135 135 ASN HA H 135 4.415 4.415 4.567 -0.152 18411 8371 1 10 . 1 1 135 135 ASN CA C 135 51.995 51.995 51.754 0.241 18411 8372 1 10 . 1 1 135 135 ASN CB C 135 40.521 40.521 39.334 1.187 18411 8373 1 10 . 1 1 136 136 GLU HA H 136 3.694 3.694 3.239 0.455 18411 8374 1 10 . 1 1 136 136 GLU C C 136 178.797 178.797 178.194 0.603 18411 8375 1 10 . 1 1 136 136 GLU CA C 136 61.052 61.052 59.785 1.267 18411 8376 1 10 . 1 1 136 136 GLU CB C 136 29.353 29.353 29.267 0.086 18411 8377 1 10 . 1 1 137 137 GLU N N 137 120.717 120.717 118.642 2.075 18411 8378 1 10 . 1 1 137 137 GLU HA H 137 4.176 4.176 4.058 0.118 18411 8379 1 10 . 1 1 137 137 GLU C C 137 179.707 179.707 178.996 0.711 18411 8380 1 10 . 1 1 137 137 GLU CA C 137 59.800 59.800 59.152 0.648 18411 8381 1 10 . 1 1 137 137 GLU CB C 137 29.284 29.284 29.007 0.277 18411 8382 1 10 . 1 1 137 137 GLU H H 137 8.364 8.364 8.496 -0.132 18411 8383 1 10 . 1 1 138 138 GLU N N 138 122.448 122.448 120.310 2.138 18411 8384 1 10 . 1 1 138 138 GLU HA H 138 4.190 4.190 4.098 0.092 18411 8385 1 10 . 1 1 138 138 GLU C C 138 179.927 179.927 178.660 1.267 18411 8386 1 10 . 1 1 138 138 GLU CA C 138 59.129 59.129 59.066 0.063 18411 8387 1 10 . 1 1 138 138 GLU CB C 138 30.064 30.064 28.729 1.335 18411 8388 1 10 . 1 1 138 138 GLU H H 138 8.448 8.448 8.346 0.102 18411 8389 1 10 . 1 1 139 139 PHE N N 139 122.454 122.454 120.663 1.791 18411 8390 1 10 . 1 1 139 139 PHE HA H 139 4.171 4.171 4.083 0.088 18411 8391 1 10 . 1 1 139 139 PHE C C 139 177.370 177.370 177.150 0.220 18411 8392 1 10 . 1 1 139 139 PHE CA C 139 62.690 62.690 61.627 1.063 18411 8393 1 10 . 1 1 139 139 PHE CB C 139 39.579 39.579 38.967 0.612 18411 8394 1 10 . 1 1 139 139 PHE H H 139 8.895 8.895 8.616 0.279 18411 8395 1 10 . 1 1 140 140 ALA N N 140 120.155 120.155 121.815 -1.660 18411 8396 1 10 . 1 1 140 140 ALA HA H 140 4.100 4.100 3.843 0.257 18411 8397 1 10 . 1 1 140 140 ALA C C 140 181.270 181.270 179.359 1.911 18411 8398 1 10 . 1 1 140 140 ALA CA C 140 55.203 55.203 55.451 -0.248 18411 8399 1 10 . 1 1 140 140 ALA CB C 140 17.716 17.716 18.124 -0.408 18411 8400 1 10 . 1 1 140 140 ALA H H 140 8.240 8.240 8.453 -0.213 18411 8401 1 10 . 1 1 141 141 SER N N 141 114.095 114.095 115.200 -1.105 18411 8402 1 10 . 1 1 141 141 SER HA H 141 4.267 4.267 4.134 0.133 18411 8403 1 10 . 1 1 141 141 SER C C 141 176.895 176.895 176.595 0.300 18411 8404 1 10 . 1 1 141 141 SER CA C 141 61.291 61.291 62.526 -1.236 18411 8405 1 10 . 1 1 141 141 SER CB C 141 62.690 62.690 62.952 -0.262 18411 8406 1 10 . 1 1 141 141 SER H H 141 7.835 7.835 7.881 -0.046 18411 8407 1 10 . 1 1 142 142 LEU N N 142 126.764 126.764 122.615 4.149 18411 8408 1 10 . 1 1 142 142 LEU HA H 142 3.908 3.908 3.974 -0.066 18411 8409 1 10 . 1 1 142 142 LEU C C 142 176.876 176.876 178.109 -1.233 18411 8410 1 10 . 1 1 142 142 LEU CA C 142 58.757 58.757 57.763 0.994 18411 8411 1 10 . 1 1 142 142 LEU CB C 142 41.653 41.653 41.777 -0.124 18411 8412 1 10 . 1 1 142 142 LEU H H 142 7.833 7.833 8.195 -0.362 18411 8413 1 10 . 1 1 143 143 VAL N N 143 119.066 119.066 119.382 -0.316 18411 8414 1 10 . 1 1 143 143 VAL HA H 143 3.174 3.174 3.354 -0.180 18411 8415 1 10 . 1 1 143 143 VAL C C 143 178.479 178.479 178.340 0.139 18411 8416 1 10 . 1 1 143 143 VAL CA C 143 66.864 66.864 66.617 0.247 18411 8417 1 10 . 1 1 143 143 VAL CB C 143 32.350 32.350 30.569 1.781 18411 8418 1 10 . 1 1 143 143 VAL H H 143 8.010 8.010 8.296 -0.286 18411 8419 1 10 . 1 1 144 144 GLN N N 144 118.170 118.170 117.602 0.568 18411 8420 1 10 . 1 1 144 144 GLN HA H 144 4.028 4.028 3.929 0.099 18411 8421 1 10 . 1 1 144 144 GLN C C 144 178.335 178.335 178.451 -0.116 18411 8422 1 10 . 1 1 144 144 GLN CA C 144 59.591 59.591 58.765 0.826 18411 8423 1 10 . 1 1 144 144 GLN CB C 144 32.906 32.906 27.976 4.930 18411 8424 1 10 . 1 1 144 144 GLN H H 144 7.935 7.935 7.713 0.222 18411 8425 1 10 . 1 1 145 145 GLN N N 145 119.839 119.839 120.271 -0.432 18411 8426 1 10 . 1 1 145 145 GLN HA H 145 4.029 4.029 4.002 0.027 18411 8427 1 10 . 1 1 145 145 GLN C C 145 178.686 178.686 178.565 0.121 18411 8428 1 10 . 1 1 145 145 GLN CA C 145 59.270 59.270 59.033 0.237 18411 8429 1 10 . 1 1 145 145 GLN CB C 145 27.587 27.587 28.537 -0.950 18411 8430 1 10 . 1 1 145 145 GLN H H 145 7.986 7.986 8.032 -0.046 18411 8431 1 10 . 1 1 146 146 ILE N N 146 119.900 119.900 120.228 -0.328 18411 8432 1 10 . 1 1 146 146 ILE HA H 146 3.345 3.345 3.577 -0.232 18411 8433 1 10 . 1 1 146 146 ILE C C 146 177.393 177.393 177.956 -0.563 18411 8434 1 10 . 1 1 146 146 ILE CA C 146 66.902 66.902 64.878 2.024 18411 8435 1 10 . 1 1 146 146 ILE CB C 146 38.281 38.281 37.602 0.679 18411 8436 1 10 . 1 1 146 146 ILE H H 146 8.171 8.171 8.453 -0.282 18411 8437 1 10 . 1 1 147 147 ASN N N 147 116.163 116.163 118.336 -2.173 18411 8438 1 10 . 1 1 147 147 ASN HA H 147 4.196 4.196 4.293 -0.097 18411 8439 1 10 . 1 1 147 147 ASN C C 147 179.035 179.035 177.867 1.168 18411 8440 1 10 . 1 1 147 147 ASN CA C 147 56.348 56.348 56.288 0.060 18411 8441 1 10 . 1 1 147 147 ASN CB C 147 38.062 38.062 37.815 0.247 18411 8442 1 10 . 1 1 147 147 ASN H H 147 7.896 7.896 8.347 -0.451 18411 8443 1 10 . 1 1 148 148 GLU N N 148 118.645 118.645 120.836 -2.191 18411 8444 1 10 . 1 1 148 148 GLU HA H 148 3.970 3.970 4.142 -0.172 18411 8445 1 10 . 1 1 148 148 GLU C C 148 179.964 179.964 178.614 1.350 18411 8446 1 10 . 1 1 148 148 GLU CA C 148 59.340 59.340 58.678 0.662 18411 8447 1 10 . 1 1 148 148 GLU CB C 148 29.572 29.572 29.203 0.369 18411 8448 1 10 . 1 1 148 148 GLU H H 148 8.311 8.311 7.993 0.318 18411 8449 1 10 . 1 1 149 149 MET N N 149 119.218 119.218 117.828 1.390 18411 8450 1 10 . 1 1 149 149 MET HA H 149 4.140 4.140 4.158 -0.018 18411 8451 1 10 . 1 1 149 149 MET C C 149 179.419 179.419 177.584 1.835 18411 8452 1 10 . 1 1 149 149 MET CA C 149 59.040 59.040 57.644 1.396 18411 8453 1 10 . 1 1 149 149 MET CB C 149 35.293 35.293 32.133 3.160 18411 8454 1 10 . 1 1 149 149 MET H H 149 8.527 8.527 7.619 0.908 18411 8455 1 10 . 1 1 150 150 LEU N N 150 118.078 118.078 114.844 3.234 18411 8456 1 10 . 1 1 150 150 LEU HA H 150 4.245 4.245 4.223 0.022 18411 8457 1 10 . 1 1 150 150 LEU C C 150 178.141 178.141 177.605 0.536 18411 8458 1 10 . 1 1 150 150 LEU CA C 150 55.824 55.824 54.675 1.149 18411 8459 1 10 . 1 1 150 150 LEU CB C 150 41.533 41.533 40.355 1.178 18411 8460 1 10 . 1 1 150 150 LEU H H 150 7.917 7.917 7.550 0.367 18411 8461 1 10 . 1 1 151 151 LYS N N 151 120.096 120.096 118.116 1.980 18411 8462 1 10 . 1 1 151 151 LYS HA H 151 4.181 4.181 4.375 -0.194 18411 8463 1 10 . 1 1 151 151 LYS C C 151 177.029 177.029 177.331 -0.302 18411 8464 1 10 . 1 1 151 151 LYS CA C 151 57.490 57.490 56.113 1.377 18411 8465 1 10 . 1 1 151 151 LYS CB C 151 32.921 32.921 33.912 -0.991 18411 8466 1 10 . 1 1 151 151 LYS H H 151 7.466 7.466 7.716 -0.250 18411 8467 1 10 . 1 1 152 152 GLU N N 152 120.188 120.188 117.892 2.296 18411 8468 1 10 . 1 1 152 152 GLU HA H 152 4.264 4.264 3.662 0.602 18411 8469 1 10 . 1 1 152 152 GLU C C 152 177.259 177.259 177.923 -0.664 18411 8470 1 10 . 1 1 152 152 GLU CA C 152 57.070 57.070 58.833 -1.763 18411 8471 1 10 . 1 1 152 152 GLU CB C 152 30.385 30.385 29.215 1.170 18411 8472 1 10 . 1 1 152 152 GLU H H 152 7.820 7.820 8.502 -0.682 18411 8473 1 10 . 1 1 153 153 GLY N N 153 109.046 109.046 108.814 0.232 18411 8474 1 10 . 1 1 153 153 GLY C C 153 174.204 174.204 173.878 0.326 18411 8475 1 10 . 1 1 153 153 GLY CA C 153 45.327 45.327 45.404 -0.077 18411 8476 1 10 . 1 1 153 153 GLY H H 153 8.278 8.278 8.187 0.091 18411 8477 1 10 . 1 1 158 158 HIS HA H 158 4.606 4.606 4.908 -0.302 18411 8478 1 10 . 1 1 158 158 HIS C C 158 174.423 174.423 173.721 0.702 18411 8479 1 10 . 1 1 158 158 HIS CA C 158 56.235 56.235 54.785 1.450 18411 8480 1 10 . 1 1 158 158 HIS CB C 158 31.028 31.028 31.924 -0.896 18411 8481 1 11 . 1 1 3 3 LEU HA H 3 3.930 3.930 4.508 -0.578 18411 8482 1 11 . 1 1 3 3 LEU CA C 3 58.669 58.669 54.673 3.996 18411 8483 1 11 . 1 1 3 3 LEU CB C 3 42.010 42.010 41.956 0.053 18411 8484 1 11 . 1 1 4 4 GLY C C 4 173.604 173.604 172.868 0.736 18411 8485 1 11 . 1 1 4 4 GLY CA C 4 46.072 46.072 44.307 1.765 18411 8486 1 11 . 1 1 5 5 TYR N N 5 116.195 116.195 123.495 -7.300 18411 8487 1 11 . 1 1 5 5 TYR HA H 5 4.769 4.769 4.554 0.215 18411 8488 1 11 . 1 1 5 5 TYR C C 5 177.898 177.898 176.077 1.821 18411 8489 1 11 . 1 1 5 5 TYR CA C 5 60.102 60.102 58.524 1.578 18411 8490 1 11 . 1 1 5 5 TYR CB C 5 39.615 39.615 39.839 -0.224 18411 8491 1 11 . 1 1 5 5 TYR H H 5 7.849 7.849 7.706 0.143 18411 8492 1 11 . 1 1 6 6 ILE N N 6 115.338 115.338 119.634 -4.296 18411 8493 1 11 . 1 1 6 6 ILE HA H 6 4.514 4.514 4.358 0.156 18411 8494 1 11 . 1 1 6 6 ILE C C 6 175.977 175.977 175.787 0.190 18411 8495 1 11 . 1 1 6 6 ILE CA C 6 61.623 61.623 61.902 -0.279 18411 8496 1 11 . 1 1 6 6 ILE CB C 6 38.270 38.270 38.843 -0.573 18411 8497 1 11 . 1 1 6 6 ILE H H 6 8.687 8.687 7.932 0.755 18411 8498 1 11 . 1 1 7 7 VAL N N 7 113.122 113.122 119.200 -6.078 18411 8499 1 11 . 1 1 7 7 VAL HA H 7 4.730 4.730 4.168 0.562 18411 8500 1 11 . 1 1 7 7 VAL C C 7 174.331 174.331 175.295 -0.964 18411 8501 1 11 . 1 1 7 7 VAL CA C 7 58.867 58.867 61.502 -2.635 18411 8502 1 11 . 1 1 7 7 VAL CB C 7 34.475 34.475 33.159 1.316 18411 8503 1 11 . 1 1 7 7 VAL H H 7 6.845 6.845 7.401 -0.556 18411 8504 1 11 . 1 1 8 8 ARG N N 8 117.597 117.597 123.925 -6.328 18411 8505 1 11 . 1 1 8 8 ARG HA H 8 4.539 4.539 4.593 -0.054 18411 8506 1 11 . 1 1 8 8 ARG C C 8 175.618 175.618 175.360 0.258 18411 8507 1 11 . 1 1 8 8 ARG CA C 8 53.717 53.717 53.864 -0.147 18411 8508 1 11 . 1 1 8 8 ARG CB C 8 34.126 34.126 33.223 0.903 18411 8509 1 11 . 1 1 8 8 ARG H H 8 7.978 7.978 8.376 -0.398 18411 8510 1 11 . 1 1 9 9 ILE N N 9 118.377 118.377 121.800 -3.423 18411 8511 1 11 . 1 1 9 9 ILE HA H 9 3.465 3.465 4.069 -0.604 18411 8512 1 11 . 1 1 9 9 ILE C C 9 177.771 177.771 177.645 0.126 18411 8513 1 11 . 1 1 9 9 ILE CA C 9 62.350 62.350 62.756 -0.406 18411 8514 1 11 . 1 1 9 9 ILE CB C 9 37.049 37.049 36.976 0.073 18411 8515 1 11 . 1 1 9 9 ILE H H 9 8.085 8.085 8.477 -0.392 18411 8516 1 11 . 1 1 10 10 GLY N N 10 115.204 115.204 116.082 -0.878 18411 8517 1 11 . 1 1 10 10 GLY C C 10 174.235 174.235 173.605 0.630 18411 8518 1 11 . 1 1 10 10 GLY CA C 10 44.763 44.763 44.763 -0.000 18411 8519 1 11 . 1 1 10 10 GLY H H 10 9.149 9.149 9.177 -0.028 18411 8520 1 11 . 1 1 11 11 GLU N N 11 119.157 119.157 120.891 -1.734 18411 8521 1 11 . 1 1 11 11 GLU HA H 11 4.392 4.392 4.550 -0.158 18411 8522 1 11 . 1 1 11 11 GLU C C 11 176.729 176.729 176.409 0.320 18411 8523 1 11 . 1 1 11 11 GLU CA C 11 55.108 55.108 54.343 0.765 18411 8524 1 11 . 1 1 11 11 GLU CB C 11 31.473 31.473 31.024 0.449 18411 8525 1 11 . 1 1 11 11 GLU H H 11 7.631 7.631 7.741 -0.110 18411 8526 1 11 . 1 1 12 12 MET N N 12 119.646 119.646 122.635 -2.989 18411 8527 1 11 . 1 1 12 12 MET HA H 12 4.593 4.593 4.654 -0.062 18411 8528 1 11 . 1 1 12 12 MET C C 12 177.162 177.162 176.958 0.204 18411 8529 1 11 . 1 1 12 12 MET CA C 12 54.475 54.475 54.256 0.219 18411 8530 1 11 . 1 1 12 12 MET CB C 12 30.749 30.749 31.655 -0.906 18411 8531 1 11 . 1 1 12 12 MET H H 12 8.566 8.566 8.550 0.016 18411 8532 1 11 . 1 1 13 13 ALA N N 13 129.735 129.735 129.489 0.246 18411 8533 1 11 . 1 1 13 13 ALA HA H 13 4.293 4.293 4.817 -0.524 18411 8534 1 11 . 1 1 13 13 ALA C C 13 175.992 175.992 175.510 0.482 18411 8535 1 11 . 1 1 13 13 ALA CA C 13 50.676 50.676 49.986 0.690 18411 8536 1 11 . 1 1 13 13 ALA CB C 13 18.125 18.125 19.079 -0.955 18411 8537 1 11 . 1 1 13 13 ALA H H 13 8.626 8.626 8.933 -0.307 18411 8538 1 11 . 1 1 14 14 PRO HA H 14 4.253 4.253 4.375 -0.122 18411 8539 1 11 . 1 1 14 14 PRO C C 14 176.066 176.066 176.088 -0.022 18411 8540 1 11 . 1 1 14 14 PRO CA C 14 63.478 63.478 62.905 0.573 18411 8541 1 11 . 1 1 14 14 PRO CB C 14 32.987 32.987 31.965 1.022 18411 8542 1 11 . 1 1 15 15 ASP N N 15 123.075 123.075 120.367 2.708 18411 8543 1 11 . 1 1 15 15 ASP HA H 15 4.700 4.700 4.628 0.072 18411 8544 1 11 . 1 1 15 15 ASP C C 15 176.067 176.067 175.842 0.225 18411 8545 1 11 . 1 1 15 15 ASP CA C 15 53.628 53.628 54.271 -0.643 18411 8546 1 11 . 1 1 15 15 ASP CB C 15 41.613 41.613 43.223 -1.610 18411 8547 1 11 . 1 1 15 15 ASP H H 15 8.373 8.373 8.386 -0.013 18411 8548 1 11 . 1 1 16 16 PHE N N 16 114.256 114.256 114.514 -0.258 18411 8549 1 11 . 1 1 16 16 PHE HA H 16 4.869 4.869 4.831 0.038 18411 8550 1 11 . 1 1 16 16 PHE C C 16 173.028 173.028 173.412 -0.384 18411 8551 1 11 . 1 1 16 16 PHE CA C 16 56.721 56.721 57.082 -0.361 18411 8552 1 11 . 1 1 16 16 PHE CB C 16 40.560 40.560 40.194 0.366 18411 8553 1 11 . 1 1 16 16 PHE H H 16 7.950 7.950 8.008 -0.058 18411 8554 1 11 . 1 1 17 17 THR N N 17 116.459 116.459 117.196 -0.737 18411 8555 1 11 . 1 1 17 17 THR HA H 17 5.244 5.244 4.892 0.352 18411 8556 1 11 . 1 1 17 17 THR C C 17 172.722 172.722 173.742 -1.020 18411 8557 1 11 . 1 1 17 17 THR CA C 17 62.061 62.061 62.032 0.029 18411 8558 1 11 . 1 1 17 17 THR CB C 17 70.882 70.882 69.034 1.848 18411 8559 1 11 . 1 1 17 17 THR H H 17 8.596 8.596 8.578 0.018 18411 8560 1 11 . 1 1 18 18 ILE N N 18 128.165 128.165 127.443 0.722 18411 8561 1 11 . 1 1 18 18 ILE HA H 18 4.995 4.995 4.553 0.442 18411 8562 1 11 . 1 1 18 18 ILE C C 18 172.309 172.309 174.135 -1.826 18411 8563 1 11 . 1 1 18 18 ILE CA C 18 59.123 59.123 59.507 -0.384 18411 8564 1 11 . 1 1 18 18 ILE CB C 18 43.984 43.984 41.420 2.563 18411 8565 1 11 . 1 1 18 18 ILE H H 18 9.574 9.574 9.084 0.490 18411 8566 1 11 . 1 1 19 19 THR N N 19 124.473 124.473 124.366 0.107 18411 8567 1 11 . 1 1 19 19 THR HA H 19 4.821 4.821 4.745 0.076 18411 8568 1 11 . 1 1 19 19 THR C C 19 174.104 174.104 174.402 -0.298 18411 8569 1 11 . 1 1 19 19 THR CA C 19 62.316 62.316 62.551 -0.235 18411 8570 1 11 . 1 1 19 19 THR CB C 19 69.287 69.287 68.634 0.653 18411 8571 1 11 . 1 1 19 19 THR H H 19 9.081 9.081 8.778 0.303 18411 8572 1 11 . 1 1 20 20 LEU N N 20 125.167 125.167 128.084 -2.917 18411 8573 1 11 . 1 1 20 20 LEU HA H 20 5.082 5.082 4.893 0.189 18411 8574 1 11 . 1 1 20 20 LEU C C 20 181.023 181.023 179.530 1.493 18411 8575 1 11 . 1 1 20 20 LEU CA C 20 54.191 54.191 54.319 -0.128 18411 8576 1 11 . 1 1 20 20 LEU CB C 20 42.219 42.219 42.955 -0.736 18411 8577 1 11 . 1 1 20 20 LEU H H 20 9.227 9.227 9.246 -0.019 18411 8578 1 11 . 1 1 21 21 THR N N 21 109.887 109.887 114.783 -4.896 18411 8579 1 11 . 1 1 21 21 THR HA H 21 3.831 3.831 4.009 -0.178 18411 8580 1 11 . 1 1 21 21 THR C C 21 174.716 174.716 175.568 -0.852 18411 8581 1 11 . 1 1 21 21 THR CA C 21 64.992 64.992 66.065 -1.073 18411 8582 1 11 . 1 1 21 21 THR CB C 21 68.529 68.529 68.412 0.117 18411 8583 1 11 . 1 1 21 21 THR H H 21 8.603 8.603 9.008 -0.405 18411 8584 1 11 . 1 1 22 22 ASP N N 22 117.311 117.311 120.089 -2.778 18411 8585 1 11 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.590 0.004 18411 8586 1 11 . 1 1 22 22 ASP C C 22 177.771 177.771 176.797 0.974 18411 8587 1 11 . 1 1 22 22 ASP CA C 22 53.173 53.173 53.797 -0.624 18411 8588 1 11 . 1 1 22 22 ASP CB C 22 40.449 40.449 40.803 -0.354 18411 8589 1 11 . 1 1 22 22 ASP H H 22 7.530 7.530 7.999 -0.469 18411 8590 1 11 . 1 1 23 23 GLY N N 23 108.847 108.847 107.986 0.861 18411 8591 1 11 . 1 1 23 23 GLY C C 23 174.806 174.806 173.883 0.923 18411 8592 1 11 . 1 1 23 23 GLY CA C 23 45.028 45.028 45.374 -0.346 18411 8593 1 11 . 1 1 23 23 GLY H H 23 8.203 8.203 7.928 0.275 18411 8594 1 11 . 1 1 24 24 LYS N N 24 122.092 122.092 120.647 1.445 18411 8595 1 11 . 1 1 24 24 LYS HA H 24 4.267 4.267 4.425 -0.158 18411 8596 1 11 . 1 1 24 24 LYS C C 24 175.350 175.350 175.676 -0.326 18411 8597 1 11 . 1 1 24 24 LYS CA C 24 57.060 57.060 55.212 1.848 18411 8598 1 11 . 1 1 24 24 LYS CB C 24 33.271 33.271 31.983 1.288 18411 8599 1 11 . 1 1 24 24 LYS H H 24 7.881 7.881 8.091 -0.210 18411 8600 1 11 . 1 1 25 25 GLN N N 25 119.585 119.585 125.273 -5.688 18411 8601 1 11 . 1 1 25 25 GLN HA H 25 5.561 5.561 5.004 0.557 18411 8602 1 11 . 1 1 25 25 GLN C C 25 176.631 176.631 175.501 1.130 18411 8603 1 11 . 1 1 25 25 GLN CA C 25 54.572 54.572 55.333 -0.761 18411 8604 1 11 . 1 1 25 25 GLN CB C 25 31.621 31.621 29.236 2.385 18411 8605 1 11 . 1 1 25 25 GLN H H 25 8.365 8.365 8.804 -0.439 18411 8606 1 11 . 1 1 26 26 VAL N N 26 123.115 123.115 125.709 -2.594 18411 8607 1 11 . 1 1 26 26 VAL HA H 26 4.466 4.466 4.493 -0.027 18411 8608 1 11 . 1 1 26 26 VAL C C 26 174.390 174.390 173.983 0.407 18411 8609 1 11 . 1 1 26 26 VAL CA C 26 61.142 61.142 59.534 1.608 18411 8610 1 11 . 1 1 26 26 VAL CB C 26 35.962 35.962 34.351 1.611 18411 8611 1 11 . 1 1 26 26 VAL H H 26 9.069 9.069 9.111 -0.042 18411 8612 1 11 . 1 1 27 27 THR N N 27 122.509 122.509 123.747 -1.238 18411 8613 1 11 . 1 1 27 27 THR HA H 27 5.437 5.437 4.955 0.482 18411 8614 1 11 . 1 1 27 27 THR C C 27 176.330 176.330 175.560 0.770 18411 8615 1 11 . 1 1 27 27 THR CA C 27 60.068 60.068 60.987 -0.919 18411 8616 1 11 . 1 1 27 27 THR CB C 27 70.655 70.655 69.995 0.660 18411 8617 1 11 . 1 1 27 27 THR H H 27 8.256 8.256 8.604 -0.348 18411 8618 1 11 . 1 1 28 28 LEU N N 28 131.816 131.816 127.297 4.519 18411 8619 1 11 . 1 1 28 28 LEU HA H 28 3.607 3.607 3.776 -0.169 18411 8620 1 11 . 1 1 28 28 LEU C C 28 180.093 180.093 178.398 1.695 18411 8621 1 11 . 1 1 28 28 LEU CA C 28 59.264 59.264 57.555 1.709 18411 8622 1 11 . 1 1 28 28 LEU CB C 28 39.396 39.396 41.709 -2.313 18411 8623 1 11 . 1 1 28 28 LEU H H 28 8.311 8.311 8.551 -0.240 18411 8624 1 11 . 1 1 29 29 SER N N 29 114.727 114.727 114.597 0.130 18411 8625 1 11 . 1 1 29 29 SER HA H 29 4.003 4.003 4.157 -0.154 18411 8626 1 11 . 1 1 29 29 SER C C 29 177.762 177.762 175.561 2.201 18411 8627 1 11 . 1 1 29 29 SER CA C 29 60.896 60.896 60.589 0.307 18411 8628 1 11 . 1 1 29 29 SER CB C 29 61.091 61.091 62.667 -1.577 18411 8629 1 11 . 1 1 29 29 SER H H 29 9.491 9.491 8.465 1.026 18411 8630 1 11 . 1 1 30 30 SER N N 30 119.100 119.100 114.275 4.825 18411 8631 1 11 . 1 1 30 30 SER HA H 30 4.476 4.476 4.396 0.080 18411 8632 1 11 . 1 1 30 30 SER C C 30 175.104 175.104 175.151 -0.047 18411 8633 1 11 . 1 1 30 30 SER CA C 30 60.661 60.661 59.493 1.168 18411 8634 1 11 . 1 1 30 30 SER CB C 30 63.174 63.174 63.606 -0.432 18411 8635 1 11 . 1 1 30 30 SER H H 30 7.878 7.878 7.772 0.106 18411 8636 1 11 . 1 1 31 31 LEU N N 31 121.415 121.415 119.883 1.532 18411 8637 1 11 . 1 1 31 31 LEU HA H 31 4.258 4.258 4.466 -0.208 18411 8638 1 11 . 1 1 31 31 LEU C C 31 175.710 175.710 176.258 -0.548 18411 8639 1 11 . 1 1 31 31 LEU CA C 31 53.804 53.804 54.322 -0.518 18411 8640 1 11 . 1 1 31 31 LEU CB C 31 41.285 41.285 43.141 -1.856 18411 8641 1 11 . 1 1 31 31 LEU H H 31 8.026 8.026 7.860 0.166 18411 8642 1 11 . 1 1 32 32 ARG N N 32 119.061 119.061 121.072 -2.011 18411 8643 1 11 . 1 1 32 32 ARG HA H 32 4.411 4.411 4.149 0.262 18411 8644 1 11 . 1 1 32 32 ARG C C 32 177.585 177.585 176.704 0.881 18411 8645 1 11 . 1 1 32 32 ARG CA C 32 57.590 57.590 56.866 0.724 18411 8646 1 11 . 1 1 32 32 ARG CB C 32 29.497 29.497 28.214 1.283 18411 8647 1 11 . 1 1 32 32 ARG H H 32 6.788 6.788 7.492 -0.704 18411 8648 1 11 . 1 1 33 33 GLY N N 33 114.033 114.033 112.565 1.468 18411 8649 1 11 . 1 1 33 33 GLY C C 33 173.456 173.456 173.238 0.218 18411 8650 1 11 . 1 1 33 33 GLY CA C 33 44.684 44.684 44.851 -0.167 18411 8651 1 11 . 1 1 33 33 GLY H H 33 9.120 9.120 8.336 0.784 18411 8652 1 11 . 1 1 34 34 LYS N N 34 120.270 120.270 120.361 -0.091 18411 8653 1 11 . 1 1 34 34 LYS HA H 34 4.606 4.606 5.386 -0.780 18411 8654 1 11 . 1 1 34 34 LYS C C 34 175.350 175.350 176.823 -1.473 18411 8655 1 11 . 1 1 34 34 LYS CA C 34 54.786 54.786 53.949 0.837 18411 8656 1 11 . 1 1 34 34 LYS CB C 34 34.125 34.125 36.024 -1.899 18411 8657 1 11 . 1 1 34 34 LYS H H 34 8.146 8.146 8.017 0.129 18411 8658 1 11 . 1 1 35 35 VAL N N 35 122.059 122.059 119.344 2.715 18411 8659 1 11 . 1 1 35 35 VAL HA H 35 4.020 4.020 4.218 -0.198 18411 8660 1 11 . 1 1 35 35 VAL C C 35 174.699 174.699 174.099 0.600 18411 8661 1 11 . 1 1 35 35 VAL CA C 35 63.108 63.108 61.629 1.479 18411 8662 1 11 . 1 1 35 35 VAL CB C 35 33.022 33.022 30.981 2.041 18411 8663 1 11 . 1 1 35 35 VAL H H 35 8.757 8.757 8.881 -0.124 18411 8664 1 11 . 1 1 36 36 VAL N N 36 125.815 125.815 127.843 -2.028 18411 8665 1 11 . 1 1 36 36 VAL HA H 36 4.856 4.856 4.559 0.297 18411 8666 1 11 . 1 1 36 36 VAL C C 36 174.622 174.622 174.321 0.301 18411 8667 1 11 . 1 1 36 36 VAL CA C 36 60.078 60.078 60.887 -0.809 18411 8668 1 11 . 1 1 36 36 VAL CB C 36 35.605 35.605 33.565 2.040 18411 8669 1 11 . 1 1 36 36 VAL H H 36 8.485 8.485 8.861 -0.376 18411 8670 1 11 . 1 1 37 37 MET N N 37 126.478 126.478 127.812 -1.334 18411 8671 1 11 . 1 1 37 37 MET HA H 37 5.383 5.383 4.842 0.541 18411 8672 1 11 . 1 1 37 37 MET C C 37 173.473 173.473 173.801 -0.328 18411 8673 1 11 . 1 1 37 37 MET CA C 37 53.661 53.661 54.529 -0.868 18411 8674 1 11 . 1 1 37 37 MET CB C 37 35.948 35.948 34.527 1.421 18411 8675 1 11 . 1 1 37 37 MET H H 37 8.694 8.694 8.802 -0.108 18411 8676 1 11 . 1 1 38 38 LEU N N 38 124.275 124.275 126.546 -2.271 18411 8677 1 11 . 1 1 38 38 LEU HA H 38 5.100 5.100 5.628 -0.528 18411 8678 1 11 . 1 1 38 38 LEU C C 38 175.828 175.828 175.597 0.231 18411 8679 1 11 . 1 1 38 38 LEU CA C 38 52.144 52.144 52.814 -0.670 18411 8680 1 11 . 1 1 38 38 LEU CB C 38 42.898 42.898 45.321 -2.423 18411 8681 1 11 . 1 1 38 38 LEU H H 38 9.181 9.181 9.102 0.079 18411 8682 1 11 . 1 1 39 39 GLN N N 39 124.390 124.390 117.843 6.547 18411 8683 1 11 . 1 1 39 39 GLN HA H 39 5.369 5.369 5.038 0.331 18411 8684 1 11 . 1 1 39 39 GLN C C 39 175.696 175.696 174.247 1.449 18411 8685 1 11 . 1 1 39 39 GLN CA C 39 54.025 54.025 54.151 -0.126 18411 8686 1 11 . 1 1 39 39 GLN CB C 39 28.735 28.735 32.151 -3.416 18411 8687 1 11 . 1 1 39 39 GLN H H 39 8.325 8.325 8.237 0.088 18411 8688 1 11 . 1 1 40 40 PHE N N 40 128.800 128.800 122.278 6.522 18411 8689 1 11 . 1 1 40 40 PHE HA H 40 5.182 5.182 5.978 -0.796 18411 8690 1 11 . 1 1 40 40 PHE C C 40 175.432 175.432 175.793 -0.361 18411 8691 1 11 . 1 1 40 40 PHE CA C 40 59.370 59.370 56.657 2.713 18411 8692 1 11 . 1 1 40 40 PHE CB C 40 39.256 39.256 41.526 -2.270 18411 8693 1 11 . 1 1 40 40 PHE H H 40 8.899 8.899 9.282 -0.383 18411 8694 1 11 . 1 1 41 41 THR N N 41 117.616 117.616 116.519 1.097 18411 8695 1 11 . 1 1 41 41 THR HA H 41 5.274 5.274 4.664 0.610 18411 8696 1 11 . 1 1 41 41 THR C C 41 170.795 170.795 172.064 -1.269 18411 8697 1 11 . 1 1 41 41 THR CA C 41 59.448 59.448 59.007 0.441 18411 8698 1 11 . 1 1 41 41 THR CB C 41 70.892 70.892 71.554 -0.662 18411 8699 1 11 . 1 1 41 41 THR H H 41 8.589 8.589 8.928 -0.339 18411 8700 1 11 . 1 1 42 42 ALA N N 42 122.005 122.005 122.663 -0.658 18411 8701 1 11 . 1 1 42 42 ALA HA H 42 4.162 4.162 4.257 -0.095 18411 8702 1 11 . 1 1 42 42 ALA C C 42 177.618 177.618 176.231 1.387 18411 8703 1 11 . 1 1 42 42 ALA CA C 42 52.454 52.454 50.507 1.947 18411 8704 1 11 . 1 1 42 42 ALA CB C 42 20.704 20.704 21.615 -0.911 18411 8705 1 11 . 1 1 42 42 ALA H H 42 7.201 7.201 7.832 -0.631 18411 8706 1 11 . 1 1 43 43 SER N N 43 117.426 117.426 116.470 0.956 18411 8707 1 11 . 1 1 43 43 SER HA H 43 1.542 1.542 3.743 -2.201 18411 8708 1 11 . 1 1 43 43 SER C C 43 174.845 174.845 175.250 -0.405 18411 8709 1 11 . 1 1 43 43 SER CA C 43 60.202 60.202 60.130 0.072 18411 8710 1 11 . 1 1 43 43 SER CB C 43 63.040 63.040 63.342 -0.302 18411 8711 1 11 . 1 1 43 43 SER H H 43 9.472 9.472 9.247 0.225 18411 8712 1 11 . 1 1 44 44 TRP N N 44 116.512 116.512 116.976 -0.464 18411 8713 1 11 . 1 1 44 44 TRP HA H 44 4.495 4.495 5.033 -0.538 18411 8714 1 11 . 1 1 44 44 TRP C C 44 176.297 176.297 175.593 0.704 18411 8715 1 11 . 1 1 44 44 TRP CA C 44 53.405 53.405 54.863 -1.458 18411 8716 1 11 . 1 1 44 44 TRP CB C 44 29.450 29.450 28.826 0.624 18411 8717 1 11 . 1 1 44 44 TRP H H 44 6.345 6.345 7.146 -0.801 18411 8718 1 11 . 1 1 45 45 CYS N N 45 125.015 125.015 122.178 2.837 18411 8719 1 11 . 1 1 45 45 CYS HA H 45 4.501 4.501 4.421 0.080 18411 8720 1 11 . 1 1 45 45 CYS C C 45 176.409 176.409 176.263 0.146 18411 8721 1 11 . 1 1 45 45 CYS CA C 45 58.904 58.904 58.959 -0.055 18411 8722 1 11 . 1 1 45 45 CYS CB C 45 28.203 28.203 26.739 1.464 18411 8723 1 11 . 1 1 45 45 CYS H H 45 6.982 6.982 7.094 -0.112 18411 8724 1 11 . 1 1 46 46 GLY CA C 46 47.225 47.225 46.637 0.588 18411 8725 1 11 . 1 1 47 47 VAL HA H 47 3.804 3.804 3.898 -0.094 18411 8726 1 11 . 1 1 47 47 VAL CA C 47 66.661 66.661 65.633 1.028 18411 8727 1 11 . 1 1 47 47 VAL CB C 47 31.506 31.506 31.629 -0.123 18411 8728 1 11 . 1 1 48 48 CYS HA H 48 3.875 3.875 4.329 -0.454 18411 8729 1 11 . 1 1 48 48 CYS C C 48 177.961 177.961 176.322 1.639 18411 8730 1 11 . 1 1 48 48 CYS CA C 48 65.053 65.053 63.278 1.776 18411 8731 1 11 . 1 1 48 48 CYS CB C 48 28.741 28.741 26.668 2.073 18411 8732 1 11 . 1 1 49 49 ARG N N 49 115.039 115.039 116.451 -1.412 18411 8733 1 11 . 1 1 49 49 ARG HA H 49 3.898 3.898 4.010 -0.112 18411 8734 1 11 . 1 1 49 49 ARG C C 49 177.871 177.871 177.068 0.803 18411 8735 1 11 . 1 1 49 49 ARG CA C 49 59.837 59.837 58.383 1.454 18411 8736 1 11 . 1 1 49 49 ARG CB C 49 30.585 30.585 29.329 1.256 18411 8737 1 11 . 1 1 49 49 ARG H H 49 7.658 7.658 7.741 -0.083 18411 8738 1 11 . 1 1 50 50 LYS N N 50 117.909 117.909 117.574 0.335 18411 8739 1 11 . 1 1 50 50 LYS HA H 50 4.098 4.098 4.247 -0.149 18411 8740 1 11 . 1 1 50 50 LYS C C 50 177.723 177.723 178.141 -0.418 18411 8741 1 11 . 1 1 50 50 LYS CA C 50 58.198 58.198 57.677 0.521 18411 8742 1 11 . 1 1 50 50 LYS CB C 50 32.803 32.803 32.759 0.044 18411 8743 1 11 . 1 1 50 50 LYS H H 50 7.385 7.385 7.783 -0.398 18411 8744 1 11 . 1 1 51 51 GLU N N 51 117.196 117.196 120.151 -2.955 18411 8745 1 11 . 1 1 51 51 GLU HA H 51 3.453 3.453 3.707 -0.254 18411 8746 1 11 . 1 1 51 51 GLU C C 51 179.194 179.194 179.009 0.185 18411 8747 1 11 . 1 1 51 51 GLU CA C 51 57.754 57.754 58.866 -1.112 18411 8748 1 11 . 1 1 51 51 GLU CB C 51 29.825 29.825 29.210 0.615 18411 8749 1 11 . 1 1 51 51 GLU H H 51 7.764 7.764 7.429 0.335 18411 8750 1 11 . 1 1 52 52 MET N N 52 118.785 118.785 120.241 -1.456 18411 8751 1 11 . 1 1 52 52 MET HA H 52 3.979 3.979 4.527 -0.548 18411 8752 1 11 . 1 1 52 52 MET C C 52 174.346 174.346 175.757 -1.411 18411 8753 1 11 . 1 1 52 52 MET CA C 52 62.384 62.384 60.271 2.113 18411 8754 1 11 . 1 1 52 52 MET CB C 52 32.805 32.805 29.864 2.941 18411 8755 1 11 . 1 1 52 52 MET H H 52 8.100 8.100 8.907 -0.807 18411 8756 1 11 . 1 1 53 53 PRO HA H 53 4.299 4.299 4.605 -0.306 18411 8757 1 11 . 1 1 53 53 PRO C C 53 179.242 179.242 179.792 -0.550 18411 8758 1 11 . 1 1 53 53 PRO CA C 53 65.708 65.708 65.514 0.194 18411 8759 1 11 . 1 1 53 53 PRO CB C 53 31.570 31.570 31.171 0.399 18411 8760 1 11 . 1 1 54 54 PHE N N 54 116.067 116.067 118.139 -2.072 18411 8761 1 11 . 1 1 54 54 PHE HA H 54 4.372 4.372 4.203 0.169 18411 8762 1 11 . 1 1 54 54 PHE C C 54 178.283 178.283 178.394 -0.111 18411 8763 1 11 . 1 1 54 54 PHE CA C 54 61.249 61.249 62.730 -1.481 18411 8764 1 11 . 1 1 54 54 PHE CB C 54 38.366 38.366 38.401 -0.035 18411 8765 1 11 . 1 1 54 54 PHE H H 54 7.251 7.251 7.570 -0.319 18411 8766 1 11 . 1 1 55 55 ILE N N 55 122.051 122.051 120.042 2.009 18411 8767 1 11 . 1 1 55 55 ILE HA H 55 3.746 3.746 3.901 -0.155 18411 8768 1 11 . 1 1 55 55 ILE C C 55 179.005 179.005 178.195 0.810 18411 8769 1 11 . 1 1 55 55 ILE CA C 55 66.678 66.678 66.161 0.517 18411 8770 1 11 . 1 1 55 55 ILE CB C 55 37.449 37.449 37.922 -0.473 18411 8771 1 11 . 1 1 55 55 ILE H H 55 7.935 7.935 9.066 -1.131 18411 8772 1 11 . 1 1 56 56 GLU N N 56 120.941 120.941 119.109 1.832 18411 8773 1 11 . 1 1 56 56 GLU HA H 56 4.578 4.578 4.197 0.381 18411 8774 1 11 . 1 1 56 56 GLU C C 56 177.034 177.034 178.712 -1.678 18411 8775 1 11 . 1 1 56 56 GLU CA C 56 59.607 59.607 59.687 -0.080 18411 8776 1 11 . 1 1 56 56 GLU CB C 56 29.640 29.640 29.220 0.420 18411 8777 1 11 . 1 1 56 56 GLU H H 56 8.657 8.657 8.272 0.385 18411 8778 1 11 . 1 1 57 57 LYS N N 57 114.712 114.712 120.133 -5.421 18411 8779 1 11 . 1 1 57 57 LYS HA H 57 4.165 4.165 4.020 0.145 18411 8780 1 11 . 1 1 57 57 LYS C C 57 177.831 177.831 178.334 -0.503 18411 8781 1 11 . 1 1 57 57 LYS CA C 57 59.905 59.905 60.161 -0.256 18411 8782 1 11 . 1 1 57 57 LYS CB C 57 33.873 33.873 32.570 1.303 18411 8783 1 11 . 1 1 57 57 LYS H H 57 7.719 7.719 8.158 -0.439 18411 8784 1 11 . 1 1 58 58 ASP N N 58 114.953 114.953 116.811 -1.858 18411 8785 1 11 . 1 1 58 58 ASP HA H 58 4.843 4.843 4.746 0.097 18411 8786 1 11 . 1 1 58 58 ASP C C 58 176.515 176.515 177.865 -1.350 18411 8787 1 11 . 1 1 58 58 ASP CA C 58 56.125 56.125 56.474 -0.349 18411 8788 1 11 . 1 1 58 58 ASP CB C 58 42.087 42.087 42.477 -0.390 18411 8789 1 11 . 1 1 58 58 ASP H H 58 8.783 8.783 8.006 0.777 18411 8790 1 11 . 1 1 59 59 ILE N N 59 115.807 115.807 119.789 -3.982 18411 8791 1 11 . 1 1 59 59 ILE HA H 59 4.268 4.268 4.330 -0.062 18411 8792 1 11 . 1 1 59 59 ILE C C 59 176.369 176.369 177.403 -1.034 18411 8793 1 11 . 1 1 59 59 ILE CA C 59 63.757 63.757 62.470 1.287 18411 8794 1 11 . 1 1 59 59 ILE CB C 59 40.396 40.396 38.968 1.428 18411 8795 1 11 . 1 1 59 59 ILE H H 59 7.455 7.455 8.209 -0.754 18411 8796 1 11 . 1 1 60 60 TRP N N 60 120.937 120.937 122.070 -1.133 18411 8797 1 11 . 1 1 60 60 TRP HA H 60 4.727 4.727 4.361 0.366 18411 8798 1 11 . 1 1 60 60 TRP C C 60 177.428 177.428 178.377 -0.949 18411 8799 1 11 . 1 1 60 60 TRP CA C 60 60.644 60.644 60.745 -0.101 18411 8800 1 11 . 1 1 60 60 TRP CB C 60 30.907 30.907 30.454 0.453 18411 8801 1 11 . 1 1 60 60 TRP H H 60 9.012 9.012 8.451 0.561 18411 8802 1 11 . 1 1 61 61 LEU N N 61 113.624 113.624 117.725 -4.101 18411 8803 1 11 . 1 1 61 61 LEU HA H 61 3.572 3.572 3.792 -0.220 18411 8804 1 11 . 1 1 61 61 LEU C C 61 179.473 179.473 178.435 1.038 18411 8805 1 11 . 1 1 61 61 LEU CA C 61 57.569 57.569 57.283 0.286 18411 8806 1 11 . 1 1 61 61 LEU CB C 61 41.040 41.040 40.933 0.107 18411 8807 1 11 . 1 1 61 61 LEU H H 61 9.210 9.210 8.753 0.457 18411 8808 1 11 . 1 1 62 62 LYS N N 62 112.991 112.991 114.249 -1.258 18411 8809 1 11 . 1 1 62 62 LYS HA H 62 3.889 3.889 4.037 -0.148 18411 8810 1 11 . 1 1 62 62 LYS C C 62 178.111 178.111 177.344 0.767 18411 8811 1 11 . 1 1 62 62 LYS CA C 62 56.667 56.667 57.360 -0.693 18411 8812 1 11 . 1 1 62 62 LYS CB C 62 31.651 31.651 32.410 -0.759 18411 8813 1 11 . 1 1 62 62 LYS H H 62 6.216 6.216 8.086 -1.870 18411 8814 1 11 . 1 1 63 63 HIS N N 63 114.656 114.656 114.672 -0.016 18411 8815 1 11 . 1 1 63 63 HIS HA H 63 4.943 4.943 4.520 0.423 18411 8816 1 11 . 1 1 63 63 HIS C C 63 177.057 177.057 174.914 2.143 18411 8817 1 11 . 1 1 63 63 HIS CA C 63 56.133 56.133 55.975 0.158 18411 8818 1 11 . 1 1 63 63 HIS CB C 63 33.235 33.235 31.555 1.680 18411 8819 1 11 . 1 1 63 63 HIS H H 63 7.067 7.067 7.607 -0.540 18411 8820 1 11 . 1 1 64 64 LYS N N 64 119.155 119.155 119.757 -0.602 18411 8821 1 11 . 1 1 64 64 LYS HA H 64 3.513 3.513 3.722 -0.209 18411 8822 1 11 . 1 1 64 64 LYS C C 64 177.074 177.074 177.069 0.005 18411 8823 1 11 . 1 1 64 64 LYS CA C 64 59.166 59.166 59.291 -0.125 18411 8824 1 11 . 1 1 64 64 LYS CB C 64 28.740 28.740 31.222 -2.482 18411 8825 1 11 . 1 1 64 64 LYS H H 64 8.114 8.114 7.799 0.315 18411 8826 1 11 . 1 1 65 65 ASP N N 65 117.882 117.882 116.437 1.445 18411 8827 1 11 . 1 1 65 65 ASP HA H 65 4.714 4.714 4.473 0.241 18411 8828 1 11 . 1 1 65 65 ASP C C 65 175.195 175.195 177.965 -2.770 18411 8829 1 11 . 1 1 65 65 ASP CA C 65 54.204 54.204 56.024 -1.820 18411 8830 1 11 . 1 1 65 65 ASP CB C 65 40.564 40.564 41.162 -0.598 18411 8831 1 11 . 1 1 65 65 ASP H H 65 7.963 7.963 8.087 -0.124 18411 8832 1 11 . 1 1 66 66 ASN N N 66 122.091 122.091 116.637 5.454 18411 8833 1 11 . 1 1 66 66 ASN HA H 66 4.659 4.659 4.224 0.435 18411 8834 1 11 . 1 1 66 66 ASN C C 66 176.046 176.046 174.568 1.478 18411 8835 1 11 . 1 1 66 66 ASN CA C 66 52.799 52.799 55.549 -2.750 18411 8836 1 11 . 1 1 66 66 ASN CB C 66 39.054 39.054 37.697 1.357 18411 8837 1 11 . 1 1 66 66 ASN H H 66 8.184 8.184 8.553 -0.369 18411 8838 1 11 . 1 1 67 67 ALA N N 67 128.893 128.893 119.717 9.176 18411 8839 1 11 . 1 1 67 67 ALA HA H 67 4.295 4.295 4.141 0.154 18411 8840 1 11 . 1 1 67 67 ALA C C 67 177.886 177.886 175.711 2.175 18411 8841 1 11 . 1 1 67 67 ALA CA C 67 54.049 54.049 53.031 1.018 18411 8842 1 11 . 1 1 67 67 ALA CB C 67 18.549 18.549 19.507 -0.958 18411 8843 1 11 . 1 1 67 67 ALA H H 67 8.806 8.806 8.307 0.499 18411 8844 1 11 . 1 1 68 68 ASP N N 68 116.612 116.612 119.030 -2.418 18411 8845 1 11 . 1 1 68 68 ASP HA H 68 4.823 4.823 4.907 -0.084 18411 8846 1 11 . 1 1 68 68 ASP C C 68 173.310 173.310 174.667 -1.357 18411 8847 1 11 . 1 1 68 68 ASP CA C 68 54.202 54.202 53.362 0.840 18411 8848 1 11 . 1 1 68 68 ASP CB C 68 40.892 40.892 42.950 -2.058 18411 8849 1 11 . 1 1 68 68 ASP H H 68 8.759 8.759 8.706 0.053 18411 8850 1 11 . 1 1 69 69 PHE N N 69 119.640 119.640 121.322 -1.682 18411 8851 1 11 . 1 1 69 69 PHE HA H 69 5.741 5.741 5.319 0.422 18411 8852 1 11 . 1 1 69 69 PHE C C 69 173.860 173.860 173.491 0.369 18411 8853 1 11 . 1 1 69 69 PHE CA C 69 56.192 56.192 56.467 -0.275 18411 8854 1 11 . 1 1 69 69 PHE CB C 69 43.496 43.496 42.425 1.071 18411 8855 1 11 . 1 1 69 69 PHE H H 69 7.912 7.912 7.685 0.227 18411 8856 1 11 . 1 1 70 70 ALA N N 70 130.226 130.226 128.930 1.296 18411 8857 1 11 . 1 1 70 70 ALA HA H 70 4.321 4.321 4.773 -0.452 18411 8858 1 11 . 1 1 70 70 ALA C C 70 171.945 171.945 174.314 -2.369 18411 8859 1 11 . 1 1 70 70 ALA CA C 70 51.573 51.573 50.801 0.772 18411 8860 1 11 . 1 1 70 70 ALA CB C 70 23.273 23.273 22.829 0.444 18411 8861 1 11 . 1 1 70 70 ALA H H 70 8.298 8.298 8.582 -0.284 18411 8862 1 11 . 1 1 71 71 LEU N N 71 122.090 122.090 123.431 -1.341 18411 8863 1 11 . 1 1 71 71 LEU HA H 71 5.120 5.120 5.337 -0.217 18411 8864 1 11 . 1 1 71 71 LEU C C 71 174.836 174.836 175.080 -0.244 18411 8865 1 11 . 1 1 71 71 LEU CA C 71 53.348 53.348 54.156 -0.808 18411 8866 1 11 . 1 1 71 71 LEU CB C 71 46.617 46.617 45.454 1.163 18411 8867 1 11 . 1 1 71 71 LEU H H 71 7.217 7.217 8.569 -1.352 18411 8868 1 11 . 1 1 72 72 ILE N N 72 123.189 123.189 125.182 -1.993 18411 8869 1 11 . 1 1 72 72 ILE HA H 72 4.336 4.336 4.701 -0.365 18411 8870 1 11 . 1 1 72 72 ILE C C 72 175.377 175.377 174.701 0.676 18411 8871 1 11 . 1 1 72 72 ILE CA C 72 60.236 60.236 60.107 0.129 18411 8872 1 11 . 1 1 72 72 ILE CB C 72 42.355 42.355 42.446 -0.091 18411 8873 1 11 . 1 1 72 72 ILE H H 72 8.211 8.211 9.069 -0.858 18411 8874 1 11 . 1 1 73 73 GLY N N 73 114.189 114.189 114.252 -0.063 18411 8875 1 11 . 1 1 73 73 GLY C C 73 172.626 172.626 172.715 -0.089 18411 8876 1 11 . 1 1 73 73 GLY CA C 73 44.213 44.213 43.490 0.723 18411 8877 1 11 . 1 1 73 73 GLY H H 73 9.202 9.202 8.686 0.516 18411 8878 1 11 . 1 1 74 74 ILE N N 74 126.577 126.577 123.605 2.972 18411 8879 1 11 . 1 1 74 74 ILE HA H 74 3.873 3.873 4.489 -0.616 18411 8880 1 11 . 1 1 74 74 ILE C C 74 174.792 174.792 174.359 0.433 18411 8881 1 11 . 1 1 74 74 ILE CA C 74 61.660 61.660 60.205 1.455 18411 8882 1 11 . 1 1 74 74 ILE CB C 74 37.394 37.394 40.377 -2.982 18411 8883 1 11 . 1 1 74 74 ILE H H 74 9.279 9.279 9.036 0.243 18411 8884 1 11 . 1 1 75 75 ASP N N 75 129.040 129.040 128.028 1.012 18411 8885 1 11 . 1 1 75 75 ASP HA H 75 5.213 5.213 5.259 -0.046 18411 8886 1 11 . 1 1 75 75 ASP C C 75 175.696 175.696 176.519 -0.823 18411 8887 1 11 . 1 1 75 75 ASP CA C 75 52.425 52.425 54.691 -2.266 18411 8888 1 11 . 1 1 75 75 ASP CB C 75 41.673 41.673 41.730 -0.057 18411 8889 1 11 . 1 1 75 75 ASP H H 75 8.592 8.592 8.688 -0.096 18411 8890 1 11 . 1 1 76 76 ARG N N 76 128.762 128.762 126.089 2.673 18411 8891 1 11 . 1 1 76 76 ARG HA H 76 4.346 4.346 4.075 0.271 18411 8892 1 11 . 1 1 76 76 ARG C C 76 174.562 174.562 175.346 -0.784 18411 8893 1 11 . 1 1 76 76 ARG CA C 76 58.885 58.885 59.895 -1.010 18411 8894 1 11 . 1 1 76 76 ARG CB C 76 32.732 32.732 30.588 2.143 18411 8895 1 11 . 1 1 76 76 ARG H H 76 8.842 8.842 8.627 0.215 18411 8896 1 11 . 1 1 77 77 ASP N N 77 128.451 128.451 111.761 16.690 18411 8897 1 11 . 1 1 77 77 ASP HA H 77 4.473 4.473 5.120 -0.647 18411 8898 1 11 . 1 1 77 77 ASP C C 77 173.969 173.969 175.477 -1.508 18411 8899 1 11 . 1 1 77 77 ASP CA C 77 56.139 56.139 53.016 3.123 18411 8900 1 11 . 1 1 77 77 ASP CB C 77 42.541 42.541 41.697 0.844 18411 8901 1 11 . 1 1 77 77 ASP H H 77 8.256 8.256 8.400 -0.144 18411 8902 1 11 . 1 1 78 78 GLU N N 78 114.796 114.796 121.462 -6.666 18411 8903 1 11 . 1 1 78 78 GLU HA H 78 5.060 5.060 4.725 0.335 18411 8904 1 11 . 1 1 78 78 GLU C C 78 174.225 174.225 174.917 -0.692 18411 8905 1 11 . 1 1 78 78 GLU CA C 78 54.220 54.220 54.400 -0.180 18411 8906 1 11 . 1 1 78 78 GLU CB C 78 32.842 32.842 29.764 3.078 18411 8907 1 11 . 1 1 78 78 GLU H H 78 8.010 8.010 8.410 -0.400 18411 8908 1 11 . 1 1 79 79 PRO HA H 79 4.579 4.579 4.451 0.128 18411 8909 1 11 . 1 1 79 79 PRO C C 79 177.508 177.508 177.938 -0.430 18411 8910 1 11 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.293 -0.226 18411 8911 1 11 . 1 1 79 79 PRO CB C 79 33.096 33.096 32.755 0.341 18411 8912 1 11 . 1 1 80 80 LEU N N 80 122.209 122.209 122.311 -0.102 18411 8913 1 11 . 1 1 80 80 LEU HA H 80 3.927 3.927 3.997 -0.070 18411 8914 1 11 . 1 1 80 80 LEU C C 80 177.847 177.847 178.345 -0.498 18411 8915 1 11 . 1 1 80 80 LEU CA C 80 59.188 59.188 59.369 -0.181 18411 8916 1 11 . 1 1 80 80 LEU CB C 80 42.001 42.001 41.029 0.972 18411 8917 1 11 . 1 1 80 80 LEU H H 80 8.943 8.943 8.540 0.403 18411 8918 1 11 . 1 1 81 81 GLU N N 81 115.361 115.361 117.166 -1.805 18411 8919 1 11 . 1 1 81 81 GLU HA H 81 3.999 3.999 4.107 -0.108 18411 8920 1 11 . 1 1 81 81 GLU C C 81 180.044 180.044 178.863 1.181 18411 8921 1 11 . 1 1 81 81 GLU CA C 81 60.552 60.552 59.242 1.310 18411 8922 1 11 . 1 1 81 81 GLU CB C 81 28.723 28.723 28.313 0.410 18411 8923 1 11 . 1 1 81 81 GLU H H 81 9.534 9.534 8.875 0.659 18411 8924 1 11 . 1 1 82 82 LYS N N 82 118.582 118.582 120.028 -1.446 18411 8925 1 11 . 1 1 82 82 LYS HA H 82 4.183 4.183 4.104 0.079 18411 8926 1 11 . 1 1 82 82 LYS C C 82 179.226 179.226 178.710 0.516 18411 8927 1 11 . 1 1 82 82 LYS CA C 82 58.248 58.248 58.686 -0.438 18411 8928 1 11 . 1 1 82 82 LYS CB C 82 32.912 32.912 31.656 1.256 18411 8929 1 11 . 1 1 82 82 LYS H H 82 7.332 7.332 7.480 -0.148 18411 8930 1 11 . 1 1 83 83 VAL N N 83 122.971 122.971 120.925 2.046 18411 8931 1 11 . 1 1 83 83 VAL HA H 83 3.554 3.554 3.768 -0.214 18411 8932 1 11 . 1 1 83 83 VAL C C 83 178.331 178.331 178.548 -0.217 18411 8933 1 11 . 1 1 83 83 VAL CA C 83 67.063 67.063 66.229 0.834 18411 8934 1 11 . 1 1 83 83 VAL CB C 83 31.497 31.497 30.973 0.524 18411 8935 1 11 . 1 1 83 83 VAL H H 83 7.743 7.743 8.223 -0.480 18411 8936 1 11 . 1 1 84 84 LEU N N 84 119.209 119.209 119.695 -0.486 18411 8937 1 11 . 1 1 84 84 LEU HA H 84 4.030 4.030 4.006 0.024 18411 8938 1 11 . 1 1 84 84 LEU C C 84 180.647 180.647 179.135 1.512 18411 8939 1 11 . 1 1 84 84 LEU CA C 84 57.975 57.975 57.740 0.235 18411 8940 1 11 . 1 1 84 84 LEU CB C 84 42.010 42.010 40.011 1.999 18411 8941 1 11 . 1 1 84 84 LEU H H 84 8.706 8.706 8.230 0.476 18411 8942 1 11 . 1 1 85 85 ALA N N 85 120.801 120.801 123.087 -2.286 18411 8943 1 11 . 1 1 85 85 ALA HA H 85 4.198 4.198 4.026 0.172 18411 8944 1 11 . 1 1 85 85 ALA C C 85 180.253 180.253 179.399 0.854 18411 8945 1 11 . 1 1 85 85 ALA CA C 85 54.947 54.947 55.253 -0.306 18411 8946 1 11 . 1 1 85 85 ALA CB C 85 17.973 17.973 18.320 -0.347 18411 8947 1 11 . 1 1 85 85 ALA H H 85 7.440 7.440 8.033 -0.593 18411 8948 1 11 . 1 1 86 86 PHE N N 86 123.035 123.035 120.145 2.890 18411 8949 1 11 . 1 1 86 86 PHE HA H 86 4.905 4.905 4.050 0.855 18411 8950 1 11 . 1 1 86 86 PHE C C 86 179.015 179.015 176.974 2.041 18411 8951 1 11 . 1 1 86 86 PHE CA C 86 56.648 56.648 61.270 -4.622 18411 8952 1 11 . 1 1 86 86 PHE CB C 86 39.249 39.249 39.200 0.049 18411 8953 1 11 . 1 1 86 86 PHE H H 86 8.040 8.040 8.609 -0.569 18411 8954 1 11 . 1 1 87 87 ALA N N 87 123.932 123.932 121.902 2.030 18411 8955 1 11 . 1 1 87 87 ALA HA H 87 3.480 3.480 3.809 -0.329 18411 8956 1 11 . 1 1 87 87 ALA C C 87 179.800 179.800 179.125 0.675 18411 8957 1 11 . 1 1 87 87 ALA CA C 87 55.183 55.183 54.950 0.233 18411 8958 1 11 . 1 1 87 87 ALA CB C 87 17.602 17.602 18.627 -1.025 18411 8959 1 11 . 1 1 87 87 ALA H H 87 8.453 8.453 8.381 0.072 18411 8960 1 11 . 1 1 88 88 LYS N N 88 116.535 116.535 116.477 0.058 18411 8961 1 11 . 1 1 88 88 LYS HA H 88 4.030 4.030 4.033 -0.003 18411 8962 1 11 . 1 1 88 88 LYS C C 88 179.562 179.562 178.730 0.832 18411 8963 1 11 . 1 1 88 88 LYS CA C 88 59.063 59.063 58.433 0.630 18411 8964 1 11 . 1 1 88 88 LYS CB C 88 32.466 32.466 31.972 0.494 18411 8965 1 11 . 1 1 88 88 LYS H H 88 7.664 7.664 8.223 -0.559 18411 8966 1 11 . 1 1 89 89 SER N N 89 113.619 113.619 115.296 -1.677 18411 8967 1 11 . 1 1 89 89 SER HA H 89 4.271 4.271 4.339 -0.068 18411 8968 1 11 . 1 1 89 89 SER C C 89 177.004 177.004 175.453 1.551 18411 8969 1 11 . 1 1 89 89 SER CA C 89 61.139 61.139 60.754 0.385 18411 8970 1 11 . 1 1 89 89 SER CB C 89 63.327 63.327 63.292 0.035 18411 8971 1 11 . 1 1 89 89 SER H H 89 8.417 8.417 7.750 0.667 18411 8972 1 11 . 1 1 90 90 THR N N 90 109.601 109.601 110.856 -1.255 18411 8973 1 11 . 1 1 90 90 THR HA H 90 4.287 4.287 4.350 -0.063 18411 8974 1 11 . 1 1 90 90 THR C C 90 176.074 176.074 175.630 0.444 18411 8975 1 11 . 1 1 90 90 THR CA C 90 62.926 62.926 61.646 1.280 18411 8976 1 11 . 1 1 90 90 THR CB C 90 70.563 70.563 70.660 -0.097 18411 8977 1 11 . 1 1 90 90 THR H H 90 7.710 7.710 7.475 0.235 18411 8978 1 11 . 1 1 91 91 GLY N N 91 110.243 110.243 110.802 -0.559 18411 8979 1 11 . 1 1 91 91 GLY C C 91 174.815 174.815 173.496 1.319 18411 8980 1 11 . 1 1 91 91 GLY CA C 91 46.042 46.042 44.789 1.253 18411 8981 1 11 . 1 1 91 91 GLY H H 91 7.609 7.609 8.050 -0.441 18411 8982 1 11 . 1 1 92 92 VAL N N 92 112.099 112.099 121.380 -9.281 18411 8983 1 11 . 1 1 92 92 VAL HA H 92 4.309 4.309 3.618 0.691 18411 8984 1 11 . 1 1 92 92 VAL C C 92 178.372 178.372 175.064 3.308 18411 8985 1 11 . 1 1 92 92 VAL CA C 92 60.696 60.696 63.179 -2.483 18411 8986 1 11 . 1 1 92 92 VAL CB C 92 32.337 32.337 29.531 2.806 18411 8987 1 11 . 1 1 92 92 VAL H H 92 7.046 7.046 8.714 -1.668 18411 8988 1 11 . 1 1 93 93 THR N N 93 114.289 114.289 118.110 -3.821 18411 8989 1 11 . 1 1 93 93 THR HA H 93 4.457 4.457 4.252 0.205 18411 8990 1 11 . 1 1 93 93 THR C C 93 175.115 175.115 173.546 1.569 18411 8991 1 11 . 1 1 93 93 THR CA C 93 61.280 61.280 63.633 -2.353 18411 8992 1 11 . 1 1 93 93 THR CB C 93 70.314 70.314 69.305 1.009 18411 8993 1 11 . 1 1 93 93 THR H H 93 10.844 10.844 8.908 1.936 18411 8994 1 11 . 1 1 94 94 TYR N N 94 122.050 122.050 118.626 3.424 18411 8995 1 11 . 1 1 94 94 TYR HA H 94 3.740 3.740 4.089 -0.349 18411 8996 1 11 . 1 1 94 94 TYR C C 94 171.563 171.563 172.685 -1.122 18411 8997 1 11 . 1 1 94 94 TYR CA C 94 53.080 53.080 52.949 0.131 18411 8998 1 11 . 1 1 94 94 TYR CB C 94 34.195 34.195 37.507 -3.312 18411 8999 1 11 . 1 1 94 94 TYR H H 94 6.391 6.391 6.971 -0.580 18411 9000 1 11 . 1 1 95 95 PRO HA H 95 4.105 4.105 4.347 -0.242 18411 9001 1 11 . 1 1 95 95 PRO C C 95 175.152 175.152 175.540 -0.388 18411 9002 1 11 . 1 1 95 95 PRO CA C 95 63.799 63.799 62.675 1.123 18411 9003 1 11 . 1 1 95 95 PRO CB C 95 32.919 32.919 32.569 0.350 18411 9004 1 11 . 1 1 96 96 LEU N N 96 122.325 122.325 123.112 -0.787 18411 9005 1 11 . 1 1 96 96 LEU HA H 96 5.143 5.143 5.176 -0.033 18411 9006 1 11 . 1 1 96 96 LEU C C 96 176.072 176.072 176.597 -0.525 18411 9007 1 11 . 1 1 96 96 LEU CA C 96 52.794 52.794 53.337 -0.543 18411 9008 1 11 . 1 1 96 96 LEU CB C 96 45.567 45.567 45.038 0.529 18411 9009 1 11 . 1 1 96 96 LEU H H 96 8.256 8.256 7.767 0.489 18411 9010 1 11 . 1 1 97 97 GLY N N 97 107.295 107.295 106.690 0.605 18411 9011 1 11 . 1 1 97 97 GLY C C 97 171.546 171.546 172.266 -0.720 18411 9012 1 11 . 1 1 97 97 GLY CA C 97 44.069 44.069 43.799 0.270 18411 9013 1 11 . 1 1 97 97 GLY H H 97 9.177 9.177 8.700 0.477 18411 9014 1 11 . 1 1 98 98 LEU N N 98 118.550 118.550 121.764 -3.214 18411 9015 1 11 . 1 1 98 98 LEU HA H 98 4.872 4.872 4.564 0.308 18411 9016 1 11 . 1 1 98 98 LEU C C 98 176.132 176.132 175.593 0.539 18411 9017 1 11 . 1 1 98 98 LEU CA C 98 54.460 54.460 55.191 -0.731 18411 9018 1 11 . 1 1 98 98 LEU CB C 98 43.567 43.567 42.752 0.815 18411 9019 1 11 . 1 1 98 98 LEU H H 98 8.106 8.106 8.747 -0.641 18411 9020 1 11 . 1 1 99 99 ASP N N 99 118.061 118.061 124.560 -6.499 18411 9021 1 11 . 1 1 99 99 ASP HA H 99 5.403 5.403 5.019 0.384 18411 9022 1 11 . 1 1 99 99 ASP C C 99 175.069 175.069 173.853 1.216 18411 9023 1 11 . 1 1 99 99 ASP CA C 99 51.057 51.057 50.605 0.452 18411 9024 1 11 . 1 1 99 99 ASP CB C 99 42.069 42.069 42.381 -0.312 18411 9025 1 11 . 1 1 99 99 ASP H H 99 8.481 8.481 8.420 0.061 18411 9026 1 11 . 1 1 100 100 PRO HA H 100 4.564 4.564 4.316 0.248 18411 9027 1 11 . 1 1 100 100 PRO C C 100 179.600 179.600 177.257 2.343 18411 9028 1 11 . 1 1 100 100 PRO CA C 100 64.020 64.020 63.574 0.446 18411 9029 1 11 . 1 1 100 100 PRO CB C 100 31.455 31.455 30.847 0.608 18411 9030 1 11 . 1 1 101 101 GLY N N 101 114.780 114.780 112.454 2.326 18411 9031 1 11 . 1 1 101 101 GLY C C 101 173.600 173.600 174.008 -0.408 18411 9032 1 11 . 1 1 101 101 GLY CA C 101 46.175 46.175 44.814 1.361 18411 9033 1 11 . 1 1 101 101 GLY H H 101 9.045 9.045 8.221 0.824 18411 9034 1 11 . 1 1 102 102 ALA N N 102 117.089 117.089 120.692 -3.603 18411 9035 1 11 . 1 1 102 102 ALA HA H 102 4.376 4.376 4.312 0.064 18411 9036 1 11 . 1 1 102 102 ALA C C 102 175.955 175.955 177.071 -1.116 18411 9037 1 11 . 1 1 102 102 ALA CA C 102 52.693 52.693 52.674 0.019 18411 9038 1 11 . 1 1 102 102 ALA CB C 102 18.256 18.256 17.570 0.686 18411 9039 1 11 . 1 1 102 102 ALA H H 102 8.257 8.257 8.020 0.237 18411 9040 1 11 . 1 1 103 103 ASP N N 103 118.691 118.691 118.915 -0.224 18411 9041 1 11 . 1 1 103 103 ASP HA H 103 4.444 4.444 4.459 -0.015 18411 9042 1 11 . 1 1 103 103 ASP C C 103 179.021 179.021 177.735 1.286 18411 9043 1 11 . 1 1 103 103 ASP CA C 103 57.935 57.935 57.036 0.899 18411 9044 1 11 . 1 1 103 103 ASP CB C 103 41.368 41.368 41.426 -0.058 18411 9045 1 11 . 1 1 103 103 ASP H H 103 6.739 6.739 8.376 -1.637 18411 9046 1 11 . 1 1 104 104 ILE N N 104 126.075 126.075 119.585 6.490 18411 9047 1 11 . 1 1 104 104 ILE HA H 104 3.682 3.682 3.735 -0.053 18411 9048 1 11 . 1 1 104 104 ILE C C 104 179.321 179.321 177.649 1.672 18411 9049 1 11 . 1 1 104 104 ILE CA C 104 66.522 66.522 62.666 3.856 18411 9050 1 11 . 1 1 104 104 ILE CB C 104 36.754 36.754 37.156 -0.402 18411 9051 1 11 . 1 1 104 104 ILE H H 104 11.476 11.476 8.395 3.081 18411 9052 1 11 . 1 1 105 105 PHE N N 105 124.513 124.513 120.813 3.700 18411 9053 1 11 . 1 1 105 105 PHE HA H 105 3.646 3.646 3.793 -0.147 18411 9054 1 11 . 1 1 105 105 PHE C C 105 177.818 177.818 176.688 1.130 18411 9055 1 11 . 1 1 105 105 PHE CA C 105 62.948 62.948 62.026 0.922 18411 9056 1 11 . 1 1 105 105 PHE CB C 105 38.350 38.350 39.006 -0.656 18411 9057 1 11 . 1 1 105 105 PHE H H 105 9.473 9.473 9.332 0.141 18411 9058 1 11 . 1 1 106 106 ALA N N 106 115.835 115.835 119.859 -4.024 18411 9059 1 11 . 1 1 106 106 ALA HA H 106 4.927 4.927 4.677 0.250 18411 9060 1 11 . 1 1 106 106 ALA C C 106 179.271 179.271 178.364 0.907 18411 9061 1 11 . 1 1 106 106 ALA CA C 106 52.672 52.672 53.680 -1.008 18411 9062 1 11 . 1 1 106 106 ALA CB C 106 19.093 19.093 18.638 0.455 18411 9063 1 11 . 1 1 106 106 ALA H H 106 8.418 8.418 7.644 0.774 18411 9064 1 11 . 1 1 107 107 LYS N N 107 116.823 116.823 116.423 0.400 18411 9065 1 11 . 1 1 107 107 LYS HA H 107 4.145 4.145 3.937 0.208 18411 9066 1 11 . 1 1 107 107 LYS C C 107 176.006 176.006 176.909 -0.903 18411 9067 1 11 . 1 1 107 107 LYS CA C 107 57.980 57.980 58.028 -0.048 18411 9068 1 11 . 1 1 107 107 LYS CB C 107 33.041 33.041 32.418 0.623 18411 9069 1 11 . 1 1 107 107 LYS H H 107 8.106 8.106 7.552 0.554 18411 9070 1 11 . 1 1 108 108 TYR N N 108 114.793 114.793 115.091 -0.298 18411 9071 1 11 . 1 1 108 108 TYR HA H 108 4.311 4.311 4.436 -0.125 18411 9072 1 11 . 1 1 108 108 TYR C C 108 176.010 176.010 174.125 1.885 18411 9073 1 11 . 1 1 108 108 TYR CA C 108 59.270 59.270 59.421 -0.151 18411 9074 1 11 . 1 1 108 108 TYR CB C 108 40.965 40.965 40.731 0.234 18411 9075 1 11 . 1 1 108 108 TYR H H 108 7.811 7.811 7.430 0.381 18411 9076 1 11 . 1 1 109 109 ALA N N 109 125.709 125.709 118.095 7.614 18411 9077 1 11 . 1 1 109 109 ALA HA H 109 4.760 4.760 4.579 0.181 18411 9078 1 11 . 1 1 109 109 ALA C C 109 174.711 174.711 174.685 0.026 18411 9079 1 11 . 1 1 109 109 ALA CA C 109 50.276 50.276 50.766 -0.490 18411 9080 1 11 . 1 1 109 109 ALA CB C 109 21.924 21.924 21.081 0.843 18411 9081 1 11 . 1 1 109 109 ALA H H 109 8.595 8.595 8.021 0.574 18411 9082 1 11 . 1 1 110 110 LEU N N 110 117.834 117.834 119.637 -1.803 18411 9083 1 11 . 1 1 110 110 LEU HA H 110 4.137 4.137 4.434 -0.297 18411 9084 1 11 . 1 1 110 110 LEU C C 110 179.153 179.153 178.106 1.047 18411 9085 1 11 . 1 1 110 110 LEU CA C 110 55.164 55.164 55.309 -0.145 18411 9086 1 11 . 1 1 110 110 LEU CB C 110 42.292 42.292 42.170 0.122 18411 9087 1 11 . 1 1 110 110 LEU H H 110 7.814 7.814 8.485 -0.671 18411 9088 1 11 . 1 1 111 111 ARG N N 111 119.787 119.787 122.376 -2.589 18411 9089 1 11 . 1 1 111 111 ARG HA H 111 3.916 3.916 3.964 -0.048 18411 9090 1 11 . 1 1 111 111 ARG C C 111 176.962 176.962 177.377 -0.415 18411 9091 1 11 . 1 1 111 111 ARG CA C 111 60.538 60.538 59.698 0.840 18411 9092 1 11 . 1 1 111 111 ARG CB C 111 30.424 30.424 29.905 0.519 18411 9093 1 11 . 1 1 111 111 ARG H H 111 8.655 8.655 8.863 -0.208 18411 9094 1 11 . 1 1 112 112 ASP N N 112 113.338 113.338 114.876 -1.538 18411 9095 1 11 . 1 1 112 112 ASP HA H 112 4.662 4.662 4.536 0.126 18411 9096 1 11 . 1 1 112 112 ASP C C 112 176.387 176.387 176.364 0.023 18411 9097 1 11 . 1 1 112 112 ASP CA C 112 52.833 52.833 55.046 -2.213 18411 9098 1 11 . 1 1 112 112 ASP CB C 112 40.135 40.135 39.946 0.189 18411 9099 1 11 . 1 1 112 112 ASP H H 112 8.205 8.205 8.398 -0.193 18411 9100 1 11 . 1 1 113 113 ALA N N 113 122.885 122.885 121.888 0.997 18411 9101 1 11 . 1 1 113 113 ALA HA H 113 4.347 4.347 4.292 0.055 18411 9102 1 11 . 1 1 113 113 ALA C C 113 177.740 177.740 176.783 0.957 18411 9103 1 11 . 1 1 113 113 ALA CA C 113 51.983 51.983 53.965 -1.982 18411 9104 1 11 . 1 1 113 113 ALA CB C 113 20.558 20.558 20.027 0.531 18411 9105 1 11 . 1 1 113 113 ALA H H 113 7.919 7.919 7.600 0.319 18411 9106 1 11 . 1 1 114 114 GLY CA C 114 45.480 45.480 45.286 0.194 18411 9107 1 11 . 1 1 115 115 ILE N N 115 122.165 122.165 117.076 5.089 18411 9108 1 11 . 1 1 115 115 ILE HA H 115 4.119 4.119 4.439 -0.320 18411 9109 1 11 . 1 1 115 115 ILE CA C 115 60.788 60.788 62.477 -1.688 18411 9110 1 11 . 1 1 115 115 ILE CB C 115 39.651 39.651 39.697 -0.046 18411 9111 1 11 . 1 1 115 115 ILE H H 115 8.253 8.253 8.298 -0.045 18411 9112 1 11 . 1 1 116 116 THR N N 116 110.198 110.198 119.773 -9.575 18411 9113 1 11 . 1 1 116 116 THR HA H 116 4.101 4.101 4.534 -0.433 18411 9114 1 11 . 1 1 116 116 THR CA C 116 62.947 62.947 63.705 -0.758 18411 9115 1 11 . 1 1 116 116 THR CB C 116 69.031 69.031 67.577 1.454 18411 9116 1 11 . 1 1 116 116 THR H H 116 7.033 7.033 7.930 -0.897 18411 9117 1 11 . 1 1 117 117 ARG N N 117 130.624 130.624 124.592 6.032 18411 9118 1 11 . 1 1 117 117 ARG HA H 117 4.997 4.997 5.163 -0.166 18411 9119 1 11 . 1 1 117 117 ARG C C 117 173.296 173.296 173.876 -0.580 18411 9120 1 11 . 1 1 117 117 ARG CA C 117 56.468 56.468 55.232 1.236 18411 9121 1 11 . 1 1 117 117 ARG CB C 117 31.949 31.949 33.463 -1.514 18411 9122 1 11 . 1 1 117 117 ARG H H 117 8.250 8.250 8.031 0.219 18411 9123 1 11 . 1 1 118 118 ASN N N 118 118.226 118.226 120.642 -2.416 18411 9124 1 11 . 1 1 118 118 ASN HA H 118 6.127 6.127 5.326 0.801 18411 9125 1 11 . 1 1 118 118 ASN C C 118 173.805 173.805 173.820 -0.015 18411 9126 1 11 . 1 1 118 118 ASN CA C 118 51.759 51.759 52.863 -1.104 18411 9127 1 11 . 1 1 118 118 ASN CB C 118 41.892 41.892 42.226 -0.334 18411 9128 1 11 . 1 1 118 118 ASN H H 118 7.730 7.730 8.699 -0.969 18411 9129 1 11 . 1 1 119 119 VAL N N 119 120.477 120.477 123.449 -2.972 18411 9130 1 11 . 1 1 119 119 VAL HA H 119 4.766 4.766 4.623 0.143 18411 9131 1 11 . 1 1 119 119 VAL C C 119 173.809 173.809 174.268 -0.459 18411 9132 1 11 . 1 1 119 119 VAL CA C 119 60.808 60.808 61.273 -0.465 18411 9133 1 11 . 1 1 119 119 VAL CB C 119 35.887 35.887 33.413 2.474 18411 9134 1 11 . 1 1 119 119 VAL H H 119 9.269 9.269 9.214 0.055 18411 9135 1 11 . 1 1 120 120 LEU N N 120 128.017 128.017 130.501 -2.484 18411 9136 1 11 . 1 1 120 120 LEU HA H 120 5.350 5.350 4.600 0.750 18411 9137 1 11 . 1 1 120 120 LEU C C 120 174.606 174.606 174.541 0.065 18411 9138 1 11 . 1 1 120 120 LEU CA C 120 53.563 53.563 54.145 -0.582 18411 9139 1 11 . 1 1 120 120 LEU CB C 120 46.211 46.211 42.932 3.279 18411 9140 1 11 . 1 1 120 120 LEU H H 120 8.829 8.829 8.167 0.662 18411 9141 1 11 . 1 1 121 121 ILE N N 121 131.629 131.629 128.086 3.543 18411 9142 1 11 . 1 1 121 121 ILE HA H 121 4.799 4.799 4.623 0.176 18411 9143 1 11 . 1 1 121 121 ILE C C 121 174.731 174.731 175.148 -0.417 18411 9144 1 11 . 1 1 121 121 ILE CA C 121 60.450 60.450 60.458 -0.008 18411 9145 1 11 . 1 1 121 121 ILE CB C 121 41.651 41.651 38.795 2.856 18411 9146 1 11 . 1 1 121 121 ILE H H 121 9.659 9.659 9.064 0.595 18411 9147 1 11 . 1 1 122 122 ASP N N 122 124.197 124.197 127.918 -3.721 18411 9148 1 11 . 1 1 122 122 ASP HA H 122 4.513 4.513 4.722 -0.209 18411 9149 1 11 . 1 1 122 122 ASP C C 122 177.586 177.586 177.138 0.448 18411 9150 1 11 . 1 1 122 122 ASP CA C 122 52.442 52.442 53.556 -1.114 18411 9151 1 11 . 1 1 122 122 ASP CB C 122 41.476 41.476 43.246 -1.770 18411 9152 1 11 . 1 1 122 122 ASP H H 122 9.128 9.128 9.076 0.052 18411 9153 1 11 . 1 1 123 123 ARG N N 123 113.396 113.396 123.578 -10.182 18411 9154 1 11 . 1 1 123 123 ARG HA H 123 4.186 4.186 4.090 0.096 18411 9155 1 11 . 1 1 123 123 ARG C C 123 178.717 178.717 177.669 1.048 18411 9156 1 11 . 1 1 123 123 ARG CA C 123 58.243 58.243 58.982 -0.739 18411 9157 1 11 . 1 1 123 123 ARG CB C 123 30.783 30.783 30.287 0.496 18411 9158 1 11 . 1 1 123 123 ARG H H 123 7.870 7.870 8.801 -0.931 18411 9159 1 11 . 1 1 124 124 GLU N N 124 117.427 117.427 116.337 1.090 18411 9160 1 11 . 1 1 124 124 GLU HA H 124 4.310 4.310 4.193 0.117 18411 9161 1 11 . 1 1 124 124 GLU C C 124 176.034 176.034 176.594 -0.560 18411 9162 1 11 . 1 1 124 124 GLU CA C 124 56.164 56.164 56.165 -0.001 18411 9163 1 11 . 1 1 124 124 GLU CB C 124 30.541 30.541 30.463 0.078 18411 9164 1 11 . 1 1 124 124 GLU H H 124 8.155 8.155 8.574 -0.419 18411 9165 1 11 . 1 1 125 125 GLY N N 125 105.681 105.681 107.962 -2.281 18411 9166 1 11 . 1 1 125 125 GLY C C 125 174.204 174.204 173.256 0.948 18411 9167 1 11 . 1 1 125 125 GLY CA C 125 45.160 45.160 45.121 0.039 18411 9168 1 11 . 1 1 125 125 GLY H H 125 8.094 8.094 8.235 -0.141 18411 9169 1 11 . 1 1 126 126 LYS N N 126 122.326 122.326 119.523 2.803 18411 9170 1 11 . 1 1 126 126 LYS HA H 126 4.647 4.647 5.161 -0.514 18411 9171 1 11 . 1 1 126 126 LYS C C 126 176.390 176.390 175.586 0.804 18411 9172 1 11 . 1 1 126 126 LYS CA C 126 55.393 55.393 54.377 1.016 18411 9173 1 11 . 1 1 126 126 LYS CB C 126 33.569 33.569 35.510 -1.941 18411 9174 1 11 . 1 1 126 126 LYS H H 126 8.502 8.502 7.409 1.093 18411 9175 1 11 . 1 1 127 127 ILE N N 127 121.946 121.946 125.030 -3.084 18411 9176 1 11 . 1 1 127 127 ILE HA H 127 4.048 4.048 4.621 -0.573 18411 9177 1 11 . 1 1 127 127 ILE C C 127 177.735 177.735 176.840 0.895 18411 9178 1 11 . 1 1 127 127 ILE CA C 127 63.200 63.200 61.868 1.332 18411 9179 1 11 . 1 1 127 127 ILE CB C 127 38.106 38.106 37.237 0.869 18411 9180 1 11 . 1 1 127 127 ILE H H 127 8.739 8.739 9.181 -0.442 18411 9181 1 11 . 1 1 128 128 VAL N N 128 122.026 122.026 124.044 -2.018 18411 9182 1 11 . 1 1 128 128 VAL HA H 128 4.695 4.695 4.232 0.463 18411 9183 1 11 . 1 1 128 128 VAL C C 128 175.968 175.968 175.249 0.719 18411 9184 1 11 . 1 1 128 128 VAL CA C 128 61.535 61.535 61.463 0.072 18411 9185 1 11 . 1 1 128 128 VAL CB C 128 33.996 33.996 31.544 2.452 18411 9186 1 11 . 1 1 128 128 VAL H H 128 9.397 9.397 8.515 0.882 18411 9187 1 11 . 1 1 129 129 LYS N N 129 121.635 121.635 121.291 0.344 18411 9188 1 11 . 1 1 129 129 LYS HA H 129 4.359 4.359 4.512 -0.153 18411 9189 1 11 . 1 1 129 129 LYS C C 129 172.896 172.896 174.224 -1.328 18411 9190 1 11 . 1 1 129 129 LYS CA C 129 57.322 57.322 55.313 2.009 18411 9191 1 11 . 1 1 129 129 LYS CB C 129 36.802 36.802 34.033 2.769 18411 9192 1 11 . 1 1 129 129 LYS H H 129 7.708 7.708 7.313 0.395 18411 9193 1 11 . 1 1 130 130 LEU N N 130 126.219 126.219 128.874 -2.655 18411 9194 1 11 . 1 1 130 130 LEU HA H 130 5.140 5.140 4.777 0.363 18411 9195 1 11 . 1 1 130 130 LEU C C 130 176.956 176.956 176.586 0.370 18411 9196 1 11 . 1 1 130 130 LEU CA C 130 53.572 53.572 54.284 -0.712 18411 9197 1 11 . 1 1 130 130 LEU CB C 130 44.700 44.700 42.151 2.549 18411 9198 1 11 . 1 1 130 130 LEU H H 130 8.301 8.301 8.736 -0.435 18411 9199 1 11 . 1 1 131 131 THR N N 131 113.484 113.484 122.295 -8.811 18411 9200 1 11 . 1 1 131 131 THR HA H 131 5.136 5.136 4.686 0.450 18411 9201 1 11 . 1 1 131 131 THR C C 131 175.492 175.492 173.433 2.059 18411 9202 1 11 . 1 1 131 131 THR CA C 131 61.033 61.033 61.835 -0.802 18411 9203 1 11 . 1 1 131 131 THR CB C 131 70.922 70.922 69.931 0.991 18411 9204 1 11 . 1 1 131 131 THR H H 131 9.298 9.298 8.778 0.520 18411 9205 1 11 . 1 1 132 132 ARG HA H 132 5.150 5.150 4.540 0.610 18411 9206 1 11 . 1 1 132 132 ARG CA C 132 55.585 55.585 55.509 0.076 18411 9207 1 11 . 1 1 132 132 ARG CB C 132 33.035 33.035 29.644 3.391 18411 9208 1 11 . 1 1 133 133 LEU N N 133 118.967 118.967 119.926 -0.959 18411 9209 1 11 . 1 1 133 133 LEU HA H 133 4.302 4.302 4.033 0.269 18411 9210 1 11 . 1 1 133 133 LEU CA C 133 56.200 56.200 55.817 0.383 18411 9211 1 11 . 1 1 133 133 LEU CB C 133 41.616 41.616 41.037 0.579 18411 9212 1 11 . 1 1 133 133 LEU H H 133 8.167 8.167 8.113 0.054 18411 9213 1 11 . 1 1 134 134 TYR N N 134 124.816 124.816 123.762 1.054 18411 9214 1 11 . 1 1 134 134 TYR HA H 134 4.963 4.963 4.444 0.519 18411 9215 1 11 . 1 1 134 134 TYR CA C 134 57.154 57.154 58.647 -1.493 18411 9216 1 11 . 1 1 134 134 TYR CB C 134 38.948 38.948 38.683 0.265 18411 9217 1 11 . 1 1 134 134 TYR H H 134 7.805 7.805 8.226 -0.421 18411 9218 1 11 . 1 1 135 135 ASN HA H 135 4.415 4.415 4.551 -0.136 18411 9219 1 11 . 1 1 135 135 ASN CA C 135 51.995 51.995 51.708 0.287 18411 9220 1 11 . 1 1 135 135 ASN CB C 135 40.521 40.521 41.314 -0.793 18411 9221 1 11 . 1 1 136 136 GLU HA H 136 3.694 3.694 3.722 -0.028 18411 9222 1 11 . 1 1 136 136 GLU C C 136 178.797 178.797 178.074 0.723 18411 9223 1 11 . 1 1 136 136 GLU CA C 136 61.052 61.052 60.567 0.485 18411 9224 1 11 . 1 1 136 136 GLU CB C 136 29.353 29.353 29.192 0.161 18411 9225 1 11 . 1 1 137 137 GLU N N 137 120.717 120.717 118.067 2.650 18411 9226 1 11 . 1 1 137 137 GLU HA H 137 4.176 4.176 4.060 0.116 18411 9227 1 11 . 1 1 137 137 GLU C C 137 179.707 179.707 179.439 0.268 18411 9228 1 11 . 1 1 137 137 GLU CA C 137 59.800 59.800 59.486 0.314 18411 9229 1 11 . 1 1 137 137 GLU CB C 137 29.284 29.284 29.028 0.256 18411 9230 1 11 . 1 1 137 137 GLU H H 137 8.364 8.364 8.562 -0.198 18411 9231 1 11 . 1 1 138 138 GLU N N 138 122.448 122.448 120.551 1.897 18411 9232 1 11 . 1 1 138 138 GLU HA H 138 4.190 4.190 4.088 0.102 18411 9233 1 11 . 1 1 138 138 GLU C C 138 179.927 179.927 178.798 1.129 18411 9234 1 11 . 1 1 138 138 GLU CA C 138 59.129 59.129 59.008 0.121 18411 9235 1 11 . 1 1 138 138 GLU CB C 138 30.064 30.064 29.383 0.681 18411 9236 1 11 . 1 1 138 138 GLU H H 138 8.448 8.448 8.941 -0.493 18411 9237 1 11 . 1 1 139 139 PHE N N 139 122.454 122.454 120.098 2.356 18411 9238 1 11 . 1 1 139 139 PHE HA H 139 4.171 4.171 4.188 -0.017 18411 9239 1 11 . 1 1 139 139 PHE C C 139 177.370 177.370 176.959 0.411 18411 9240 1 11 . 1 1 139 139 PHE CA C 139 62.690 62.690 61.410 1.280 18411 9241 1 11 . 1 1 139 139 PHE CB C 139 39.579 39.579 39.086 0.493 18411 9242 1 11 . 1 1 139 139 PHE H H 139 8.895 8.895 8.682 0.213 18411 9243 1 11 . 1 1 140 140 ALA N N 140 120.155 120.155 121.937 -1.782 18411 9244 1 11 . 1 1 140 140 ALA HA H 140 4.100 4.100 3.923 0.177 18411 9245 1 11 . 1 1 140 140 ALA C C 140 181.270 181.270 179.468 1.802 18411 9246 1 11 . 1 1 140 140 ALA CA C 140 55.203 55.203 55.571 -0.368 18411 9247 1 11 . 1 1 140 140 ALA CB C 140 17.716 17.716 17.902 -0.186 18411 9248 1 11 . 1 1 140 140 ALA H H 140 8.240 8.240 8.726 -0.486 18411 9249 1 11 . 1 1 141 141 SER N N 141 114.095 114.095 115.321 -1.226 18411 9250 1 11 . 1 1 141 141 SER HA H 141 4.267 4.267 4.156 0.111 18411 9251 1 11 . 1 1 141 141 SER C C 141 176.895 176.895 176.468 0.427 18411 9252 1 11 . 1 1 141 141 SER CA C 141 61.291 61.291 62.257 -0.966 18411 9253 1 11 . 1 1 141 141 SER CB C 141 62.690 62.690 62.992 -0.302 18411 9254 1 11 . 1 1 141 141 SER H H 141 7.835 7.835 8.072 -0.237 18411 9255 1 11 . 1 1 142 142 LEU N N 142 126.764 126.764 123.563 3.201 18411 9256 1 11 . 1 1 142 142 LEU HA H 142 3.908 3.908 3.968 -0.060 18411 9257 1 11 . 1 1 142 142 LEU C C 142 176.876 176.876 178.019 -1.143 18411 9258 1 11 . 1 1 142 142 LEU CA C 142 58.757 58.757 58.025 0.732 18411 9259 1 11 . 1 1 142 142 LEU CB C 142 41.653 41.653 41.457 0.196 18411 9260 1 11 . 1 1 142 142 LEU H H 142 7.833 7.833 7.938 -0.105 18411 9261 1 11 . 1 1 143 143 VAL N N 143 119.066 119.066 119.070 -0.004 18411 9262 1 11 . 1 1 143 143 VAL HA H 143 3.174 3.174 3.350 -0.176 18411 9263 1 11 . 1 1 143 143 VAL C C 143 178.479 178.479 177.916 0.563 18411 9264 1 11 . 1 1 143 143 VAL CA C 143 66.864 66.864 67.442 -0.578 18411 9265 1 11 . 1 1 143 143 VAL CB C 143 32.350 32.350 31.233 1.117 18411 9266 1 11 . 1 1 143 143 VAL H H 143 8.010 8.010 8.069 -0.059 18411 9267 1 11 . 1 1 144 144 GLN N N 144 118.170 118.170 118.791 -0.621 18411 9268 1 11 . 1 1 144 144 GLN HA H 144 4.028 4.028 3.850 0.178 18411 9269 1 11 . 1 1 144 144 GLN C C 144 178.335 178.335 178.137 0.198 18411 9270 1 11 . 1 1 144 144 GLN CA C 144 59.591 59.591 59.377 0.214 18411 9271 1 11 . 1 1 144 144 GLN CB C 144 32.906 32.906 28.471 4.435 18411 9272 1 11 . 1 1 144 144 GLN H H 144 7.935 7.935 8.290 -0.355 18411 9273 1 11 . 1 1 145 145 GLN N N 145 119.839 119.839 119.506 0.333 18411 9274 1 11 . 1 1 145 145 GLN HA H 145 4.029 4.029 4.079 -0.050 18411 9275 1 11 . 1 1 145 145 GLN C C 145 178.686 178.686 178.607 0.079 18411 9276 1 11 . 1 1 145 145 GLN CA C 145 59.270 59.270 58.775 0.495 18411 9277 1 11 . 1 1 145 145 GLN CB C 145 27.587 27.587 28.621 -1.034 18411 9278 1 11 . 1 1 145 145 GLN H H 145 7.986 7.986 7.906 0.080 18411 9279 1 11 . 1 1 146 146 ILE N N 146 119.900 119.900 120.897 -0.997 18411 9280 1 11 . 1 1 146 146 ILE HA H 146 3.345 3.345 3.526 -0.181 18411 9281 1 11 . 1 1 146 146 ILE C C 146 177.393 177.393 177.935 -0.542 18411 9282 1 11 . 1 1 146 146 ILE CA C 146 66.902 66.902 65.192 1.710 18411 9283 1 11 . 1 1 146 146 ILE CB C 146 38.281 38.281 37.377 0.904 18411 9284 1 11 . 1 1 146 146 ILE H H 146 8.171 8.171 8.430 -0.259 18411 9285 1 11 . 1 1 147 147 ASN N N 147 116.163 116.163 118.105 -1.942 18411 9286 1 11 . 1 1 147 147 ASN HA H 147 4.196 4.196 4.369 -0.173 18411 9287 1 11 . 1 1 147 147 ASN C C 147 179.035 179.035 177.795 1.240 18411 9288 1 11 . 1 1 147 147 ASN CA C 147 56.348 56.348 56.392 -0.044 18411 9289 1 11 . 1 1 147 147 ASN CB C 147 38.062 38.062 37.706 0.356 18411 9290 1 11 . 1 1 147 147 ASN H H 147 7.896 7.896 8.227 -0.331 18411 9291 1 11 . 1 1 148 148 GLU N N 148 118.645 118.645 121.261 -2.616 18411 9292 1 11 . 1 1 148 148 GLU HA H 148 3.970 3.970 4.208 -0.238 18411 9293 1 11 . 1 1 148 148 GLU C C 148 179.964 179.964 178.969 0.995 18411 9294 1 11 . 1 1 148 148 GLU CA C 148 59.340 59.340 59.164 0.176 18411 9295 1 11 . 1 1 148 148 GLU CB C 148 29.572 29.572 29.376 0.196 18411 9296 1 11 . 1 1 148 148 GLU H H 148 8.311 8.311 7.784 0.527 18411 9297 1 11 . 1 1 149 149 MET N N 149 119.218 119.218 117.154 2.064 18411 9298 1 11 . 1 1 149 149 MET HA H 149 4.140 4.140 4.197 -0.058 18411 9299 1 11 . 1 1 149 149 MET C C 149 179.419 179.419 177.686 1.733 18411 9300 1 11 . 1 1 149 149 MET CA C 149 59.040 59.040 57.424 1.616 18411 9301 1 11 . 1 1 149 149 MET CB C 149 35.293 35.293 32.074 3.219 18411 9302 1 11 . 1 1 149 149 MET H H 149 8.527 8.527 7.981 0.546 18411 9303 1 11 . 1 1 150 150 LEU N N 150 118.078 118.078 114.972 3.106 18411 9304 1 11 . 1 1 150 150 LEU HA H 150 4.245 4.245 4.372 -0.127 18411 9305 1 11 . 1 1 150 150 LEU C C 150 178.141 178.141 178.328 -0.187 18411 9306 1 11 . 1 1 150 150 LEU CA C 150 55.824 55.824 55.715 0.109 18411 9307 1 11 . 1 1 150 150 LEU CB C 150 41.533 41.533 41.456 0.077 18411 9308 1 11 . 1 1 150 150 LEU H H 150 7.917 7.917 7.869 0.048 18411 9309 1 11 . 1 1 151 151 LYS N N 151 120.096 120.096 118.309 1.787 18411 9310 1 11 . 1 1 151 151 LYS HA H 151 4.181 4.181 4.540 -0.359 18411 9311 1 11 . 1 1 151 151 LYS C C 151 177.029 177.029 176.701 0.328 18411 9312 1 11 . 1 1 151 151 LYS CA C 151 57.490 57.490 55.534 1.956 18411 9313 1 11 . 1 1 151 151 LYS CB C 151 32.921 32.921 33.624 -0.703 18411 9314 1 11 . 1 1 151 151 LYS H H 151 7.466 7.466 7.881 -0.415 18411 9315 1 11 . 1 1 152 152 GLU N N 152 120.188 120.188 121.555 -1.367 18411 9316 1 11 . 1 1 152 152 GLU HA H 152 4.264 4.264 3.737 0.527 18411 9317 1 11 . 1 1 152 152 GLU C C 152 177.259 177.259 176.526 0.733 18411 9318 1 11 . 1 1 152 152 GLU CA C 152 57.070 57.070 56.961 0.109 18411 9319 1 11 . 1 1 152 152 GLU CB C 152 30.385 30.385 28.971 1.415 18411 9320 1 11 . 1 1 152 152 GLU H H 152 7.820 7.820 7.879 -0.059 18411 9321 1 11 . 1 1 153 153 GLY N N 153 109.046 109.046 114.892 -5.846 18411 9322 1 11 . 1 1 153 153 GLY C C 153 174.204 174.204 173.825 0.379 18411 9323 1 11 . 1 1 153 153 GLY CA C 153 45.327 45.327 45.773 -0.446 18411 9324 1 11 . 1 1 153 153 GLY H H 153 8.278 8.278 8.059 0.219 18411 9325 1 11 . 1 1 158 158 HIS HA H 158 4.606 4.606 4.516 0.090 18411 9326 1 11 . 1 1 158 158 HIS C C 158 174.423 174.423 175.449 -1.026 18411 9327 1 11 . 1 1 158 158 HIS CA C 158 56.235 56.235 56.533 -0.298 18411 9328 1 11 . 1 1 158 158 HIS CB C 158 31.028 31.028 30.702 0.326 18411 9329 1 12 . 1 1 3 3 LEU HA H 3 3.930 3.930 4.701 -0.771 18411 9330 1 12 . 1 1 3 3 LEU CA C 3 58.669 58.669 54.986 3.683 18411 9331 1 12 . 1 1 3 3 LEU CB C 3 42.010 42.010 44.683 -2.673 18411 9332 1 12 . 1 1 4 4 GLY C C 4 173.604 173.604 172.557 1.047 18411 9333 1 12 . 1 1 4 4 GLY CA C 4 46.072 46.072 44.728 1.344 18411 9334 1 12 . 1 1 5 5 TYR N N 5 116.195 116.195 123.298 -7.103 18411 9335 1 12 . 1 1 5 5 TYR HA H 5 4.769 4.769 4.868 -0.099 18411 9336 1 12 . 1 1 5 5 TYR C C 5 177.898 177.898 175.210 2.688 18411 9337 1 12 . 1 1 5 5 TYR CA C 5 60.102 60.102 57.609 2.493 18411 9338 1 12 . 1 1 5 5 TYR CB C 5 39.615 39.615 42.773 -3.159 18411 9339 1 12 . 1 1 5 5 TYR H H 5 7.849 7.849 7.725 0.124 18411 9340 1 12 . 1 1 6 6 ILE N N 6 115.338 115.338 119.121 -3.783 18411 9341 1 12 . 1 1 6 6 ILE HA H 6 4.514 4.514 4.525 -0.011 18411 9342 1 12 . 1 1 6 6 ILE C C 6 175.977 175.977 175.551 0.426 18411 9343 1 12 . 1 1 6 6 ILE CA C 6 61.623 61.623 61.649 -0.026 18411 9344 1 12 . 1 1 6 6 ILE CB C 6 38.270 38.270 39.468 -1.198 18411 9345 1 12 . 1 1 6 6 ILE H H 6 8.687 8.687 8.667 0.020 18411 9346 1 12 . 1 1 7 7 VAL N N 7 113.122 113.122 117.873 -4.751 18411 9347 1 12 . 1 1 7 7 VAL HA H 7 4.730 4.730 4.365 0.365 18411 9348 1 12 . 1 1 7 7 VAL C C 7 174.331 174.331 175.194 -0.863 18411 9349 1 12 . 1 1 7 7 VAL CA C 7 58.867 58.867 59.734 -0.867 18411 9350 1 12 . 1 1 7 7 VAL CB C 7 34.475 34.475 33.745 0.730 18411 9351 1 12 . 1 1 7 7 VAL H H 7 6.845 6.845 7.462 -0.617 18411 9352 1 12 . 1 1 8 8 ARG N N 8 117.597 117.597 121.310 -3.713 18411 9353 1 12 . 1 1 8 8 ARG HA H 8 4.539 4.539 4.598 -0.059 18411 9354 1 12 . 1 1 8 8 ARG C C 8 175.618 175.618 175.629 -0.011 18411 9355 1 12 . 1 1 8 8 ARG CA C 8 53.717 53.717 54.219 -0.502 18411 9356 1 12 . 1 1 8 8 ARG CB C 8 34.126 34.126 32.680 1.446 18411 9357 1 12 . 1 1 8 8 ARG H H 8 7.978 7.978 8.336 -0.358 18411 9358 1 12 . 1 1 9 9 ILE N N 9 118.377 118.377 121.432 -3.055 18411 9359 1 12 . 1 1 9 9 ILE HA H 9 3.465 3.465 4.101 -0.636 18411 9360 1 12 . 1 1 9 9 ILE C C 9 177.771 177.771 177.530 0.241 18411 9361 1 12 . 1 1 9 9 ILE CA C 9 62.350 62.350 62.259 0.091 18411 9362 1 12 . 1 1 9 9 ILE CB C 9 37.049 37.049 37.493 -0.445 18411 9363 1 12 . 1 1 9 9 ILE H H 9 8.085 8.085 8.388 -0.303 18411 9364 1 12 . 1 1 10 10 GLY N N 10 115.204 115.204 116.406 -1.202 18411 9365 1 12 . 1 1 10 10 GLY C C 10 174.235 174.235 173.888 0.347 18411 9366 1 12 . 1 1 10 10 GLY CA C 10 44.763 44.763 44.580 0.183 18411 9367 1 12 . 1 1 10 10 GLY H H 10 9.149 9.149 9.084 0.065 18411 9368 1 12 . 1 1 11 11 GLU N N 11 119.157 119.157 120.706 -1.549 18411 9369 1 12 . 1 1 11 11 GLU HA H 11 4.392 4.392 4.435 -0.043 18411 9370 1 12 . 1 1 11 11 GLU C C 11 176.729 176.729 176.440 0.289 18411 9371 1 12 . 1 1 11 11 GLU CA C 11 55.108 55.108 54.746 0.362 18411 9372 1 12 . 1 1 11 11 GLU CB C 11 31.473 31.473 30.818 0.655 18411 9373 1 12 . 1 1 11 11 GLU H H 11 7.631 7.631 7.645 -0.014 18411 9374 1 12 . 1 1 12 12 MET N N 12 119.646 119.646 122.571 -2.925 18411 9375 1 12 . 1 1 12 12 MET HA H 12 4.593 4.593 4.495 0.098 18411 9376 1 12 . 1 1 12 12 MET C C 12 177.162 177.162 176.873 0.289 18411 9377 1 12 . 1 1 12 12 MET CA C 12 54.475 54.475 55.309 -0.834 18411 9378 1 12 . 1 1 12 12 MET CB C 12 30.749 30.749 31.977 -1.228 18411 9379 1 12 . 1 1 12 12 MET H H 12 8.566 8.566 8.511 0.055 18411 9380 1 12 . 1 1 13 13 ALA N N 13 129.735 129.735 129.264 0.471 18411 9381 1 12 . 1 1 13 13 ALA HA H 13 4.293 4.293 4.434 -0.141 18411 9382 1 12 . 1 1 13 13 ALA C C 13 175.992 175.992 175.673 0.319 18411 9383 1 12 . 1 1 13 13 ALA CA C 13 50.676 50.676 50.306 0.370 18411 9384 1 12 . 1 1 13 13 ALA CB C 13 18.125 18.125 18.615 -0.490 18411 9385 1 12 . 1 1 13 13 ALA H H 13 8.626 8.626 8.681 -0.055 18411 9386 1 12 . 1 1 14 14 PRO HA H 14 4.253 4.253 4.307 -0.054 18411 9387 1 12 . 1 1 14 14 PRO C C 14 176.066 176.066 175.797 0.269 18411 9388 1 12 . 1 1 14 14 PRO CA C 14 63.478 63.478 62.755 0.723 18411 9389 1 12 . 1 1 14 14 PRO CB C 14 32.987 32.987 31.849 1.138 18411 9390 1 12 . 1 1 15 15 ASP N N 15 123.075 123.075 122.583 0.492 18411 9391 1 12 . 1 1 15 15 ASP HA H 15 4.700 4.700 4.467 0.233 18411 9392 1 12 . 1 1 15 15 ASP C C 15 176.067 176.067 175.683 0.384 18411 9393 1 12 . 1 1 15 15 ASP CA C 15 53.628 53.628 55.135 -1.507 18411 9394 1 12 . 1 1 15 15 ASP CB C 15 41.613 41.613 42.299 -0.686 18411 9395 1 12 . 1 1 15 15 ASP H H 15 8.373 8.373 8.329 0.044 18411 9396 1 12 . 1 1 16 16 PHE N N 16 114.256 114.256 115.842 -1.586 18411 9397 1 12 . 1 1 16 16 PHE HA H 16 4.869 4.869 4.932 -0.063 18411 9398 1 12 . 1 1 16 16 PHE C C 16 173.028 173.028 173.444 -0.416 18411 9399 1 12 . 1 1 16 16 PHE CA C 16 56.721 56.721 55.914 0.807 18411 9400 1 12 . 1 1 16 16 PHE CB C 16 40.560 40.560 41.625 -1.065 18411 9401 1 12 . 1 1 16 16 PHE H H 16 7.950 7.950 7.606 0.344 18411 9402 1 12 . 1 1 17 17 THR N N 17 116.459 116.459 117.141 -0.682 18411 9403 1 12 . 1 1 17 17 THR HA H 17 5.244 5.244 5.069 0.175 18411 9404 1 12 . 1 1 17 17 THR C C 17 172.722 172.722 174.154 -1.432 18411 9405 1 12 . 1 1 17 17 THR CA C 17 62.061 62.061 62.092 -0.031 18411 9406 1 12 . 1 1 17 17 THR CB C 17 70.882 70.882 69.058 1.824 18411 9407 1 12 . 1 1 17 17 THR H H 17 8.596 8.596 8.765 -0.169 18411 9408 1 12 . 1 1 18 18 ILE N N 18 128.165 128.165 127.743 0.422 18411 9409 1 12 . 1 1 18 18 ILE HA H 18 4.995 4.995 4.596 0.399 18411 9410 1 12 . 1 1 18 18 ILE C C 18 172.309 172.309 174.072 -1.763 18411 9411 1 12 . 1 1 18 18 ILE CA C 18 59.123 59.123 59.723 -0.600 18411 9412 1 12 . 1 1 18 18 ILE CB C 18 43.984 43.984 41.183 2.801 18411 9413 1 12 . 1 1 18 18 ILE H H 18 9.574 9.574 9.061 0.513 18411 9414 1 12 . 1 1 19 19 THR N N 19 124.473 124.473 125.360 -0.887 18411 9415 1 12 . 1 1 19 19 THR HA H 19 4.821 4.821 4.666 0.155 18411 9416 1 12 . 1 1 19 19 THR C C 19 174.104 174.104 174.297 -0.193 18411 9417 1 12 . 1 1 19 19 THR CA C 19 62.316 62.316 62.334 -0.018 18411 9418 1 12 . 1 1 19 19 THR CB C 19 69.287 69.287 69.032 0.255 18411 9419 1 12 . 1 1 19 19 THR H H 19 9.081 9.081 8.740 0.341 18411 9420 1 12 . 1 1 20 20 LEU N N 20 125.167 125.167 127.251 -2.084 18411 9421 1 12 . 1 1 20 20 LEU HA H 20 5.082 5.082 4.649 0.433 18411 9422 1 12 . 1 1 20 20 LEU C C 20 181.023 181.023 179.429 1.594 18411 9423 1 12 . 1 1 20 20 LEU CA C 20 54.191 54.191 54.951 -0.760 18411 9424 1 12 . 1 1 20 20 LEU CB C 20 42.219 42.219 42.707 -0.488 18411 9425 1 12 . 1 1 20 20 LEU H H 20 9.227 9.227 8.939 0.288 18411 9426 1 12 . 1 1 21 21 THR N N 21 109.887 109.887 113.617 -3.730 18411 9427 1 12 . 1 1 21 21 THR HA H 21 3.831 3.831 4.045 -0.214 18411 9428 1 12 . 1 1 21 21 THR C C 21 174.716 174.716 175.057 -0.341 18411 9429 1 12 . 1 1 21 21 THR CA C 21 64.992 64.992 65.563 -0.571 18411 9430 1 12 . 1 1 21 21 THR CB C 21 68.529 68.529 68.708 -0.179 18411 9431 1 12 . 1 1 21 21 THR H H 21 8.603 8.603 8.548 0.055 18411 9432 1 12 . 1 1 22 22 ASP N N 22 117.311 117.311 118.075 -0.764 18411 9433 1 12 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.644 -0.050 18411 9434 1 12 . 1 1 22 22 ASP C C 22 177.771 177.771 177.157 0.614 18411 9435 1 12 . 1 1 22 22 ASP CA C 22 53.173 53.173 53.135 0.038 18411 9436 1 12 . 1 1 22 22 ASP CB C 22 40.449 40.449 39.590 0.859 18411 9437 1 12 . 1 1 22 22 ASP H H 22 7.530 7.530 7.900 -0.370 18411 9438 1 12 . 1 1 23 23 GLY N N 23 108.847 108.847 109.102 -0.255 18411 9439 1 12 . 1 1 23 23 GLY C C 23 174.806 174.806 174.649 0.157 18411 9440 1 12 . 1 1 23 23 GLY CA C 23 45.028 45.028 45.269 -0.241 18411 9441 1 12 . 1 1 23 23 GLY H H 23 8.203 8.203 7.996 0.207 18411 9442 1 12 . 1 1 24 24 LYS N N 24 122.092 122.092 122.598 -0.506 18411 9443 1 12 . 1 1 24 24 LYS HA H 24 4.267 4.267 4.259 0.008 18411 9444 1 12 . 1 1 24 24 LYS C C 24 175.350 175.350 176.040 -0.690 18411 9445 1 12 . 1 1 24 24 LYS CA C 24 57.060 57.060 55.325 1.735 18411 9446 1 12 . 1 1 24 24 LYS CB C 24 33.271 33.271 31.817 1.454 18411 9447 1 12 . 1 1 24 24 LYS H H 24 7.881 7.881 7.798 0.083 18411 9448 1 12 . 1 1 25 25 GLN N N 25 119.585 119.585 125.122 -5.537 18411 9449 1 12 . 1 1 25 25 GLN HA H 25 5.561 5.561 5.233 0.328 18411 9450 1 12 . 1 1 25 25 GLN C C 25 176.631 176.631 175.880 0.751 18411 9451 1 12 . 1 1 25 25 GLN CA C 25 54.572 54.572 55.452 -0.880 18411 9452 1 12 . 1 1 25 25 GLN CB C 25 31.621 31.621 29.406 2.215 18411 9453 1 12 . 1 1 25 25 GLN H H 25 8.365 8.365 8.554 -0.189 18411 9454 1 12 . 1 1 26 26 VAL N N 26 123.115 123.115 121.723 1.392 18411 9455 1 12 . 1 1 26 26 VAL HA H 26 4.466 4.466 4.632 -0.166 18411 9456 1 12 . 1 1 26 26 VAL C C 26 174.390 174.390 174.305 0.085 18411 9457 1 12 . 1 1 26 26 VAL CA C 26 61.142 61.142 59.423 1.718 18411 9458 1 12 . 1 1 26 26 VAL CB C 26 35.962 35.962 34.745 1.217 18411 9459 1 12 . 1 1 26 26 VAL H H 26 9.069 9.069 9.000 0.069 18411 9460 1 12 . 1 1 27 27 THR N N 27 122.509 122.509 114.902 7.607 18411 9461 1 12 . 1 1 27 27 THR HA H 27 5.437 5.437 5.128 0.309 18411 9462 1 12 . 1 1 27 27 THR C C 27 176.330 176.330 175.304 1.026 18411 9463 1 12 . 1 1 27 27 THR CA C 27 60.068 60.068 59.542 0.526 18411 9464 1 12 . 1 1 27 27 THR CB C 27 70.655 70.655 70.471 0.184 18411 9465 1 12 . 1 1 27 27 THR H H 27 8.256 8.256 8.000 0.256 18411 9466 1 12 . 1 1 28 28 LEU N N 28 131.816 131.816 122.098 9.718 18411 9467 1 12 . 1 1 28 28 LEU HA H 28 3.607 3.607 3.942 -0.335 18411 9468 1 12 . 1 1 28 28 LEU C C 28 180.093 180.093 178.226 1.867 18411 9469 1 12 . 1 1 28 28 LEU CA C 28 59.264 59.264 57.187 2.077 18411 9470 1 12 . 1 1 28 28 LEU CB C 28 39.396 39.396 41.819 -2.423 18411 9471 1 12 . 1 1 28 28 LEU H H 28 8.311 8.311 8.238 0.073 18411 9472 1 12 . 1 1 29 29 SER N N 29 114.727 114.727 114.822 -0.095 18411 9473 1 12 . 1 1 29 29 SER HA H 29 4.003 4.003 4.188 -0.185 18411 9474 1 12 . 1 1 29 29 SER C C 29 177.762 177.762 175.938 1.824 18411 9475 1 12 . 1 1 29 29 SER CA C 29 60.896 60.896 61.026 -0.130 18411 9476 1 12 . 1 1 29 29 SER CB C 29 61.091 61.091 62.544 -1.453 18411 9477 1 12 . 1 1 29 29 SER H H 29 9.491 9.491 8.346 1.145 18411 9478 1 12 . 1 1 30 30 SER N N 30 119.100 119.100 115.952 3.148 18411 9479 1 12 . 1 1 30 30 SER HA H 30 4.476 4.476 4.440 0.036 18411 9480 1 12 . 1 1 30 30 SER C C 30 175.104 175.104 174.851 0.253 18411 9481 1 12 . 1 1 30 30 SER CA C 30 60.661 60.661 59.644 1.017 18411 9482 1 12 . 1 1 30 30 SER CB C 30 63.174 63.174 62.958 0.216 18411 9483 1 12 . 1 1 30 30 SER H H 30 7.878 7.878 7.445 0.433 18411 9484 1 12 . 1 1 31 31 LEU N N 31 121.415 121.415 120.344 1.071 18411 9485 1 12 . 1 1 31 31 LEU HA H 31 4.258 4.258 4.489 -0.231 18411 9486 1 12 . 1 1 31 31 LEU C C 31 175.710 175.710 175.971 -0.261 18411 9487 1 12 . 1 1 31 31 LEU CA C 31 53.804 53.804 53.853 -0.049 18411 9488 1 12 . 1 1 31 31 LEU CB C 31 41.285 41.285 43.003 -1.718 18411 9489 1 12 . 1 1 31 31 LEU H H 31 8.026 8.026 7.499 0.527 18411 9490 1 12 . 1 1 32 32 ARG N N 32 119.061 119.061 121.051 -1.990 18411 9491 1 12 . 1 1 32 32 ARG HA H 32 4.411 4.411 4.117 0.294 18411 9492 1 12 . 1 1 32 32 ARG C C 32 177.585 177.585 176.732 0.853 18411 9493 1 12 . 1 1 32 32 ARG CA C 32 57.590 57.590 56.961 0.629 18411 9494 1 12 . 1 1 32 32 ARG CB C 32 29.497 29.497 28.040 1.458 18411 9495 1 12 . 1 1 32 32 ARG H H 32 6.788 6.788 7.080 -0.292 18411 9496 1 12 . 1 1 33 33 GLY N N 33 114.033 114.033 111.414 2.619 18411 9497 1 12 . 1 1 33 33 GLY C C 33 173.456 173.456 173.878 -0.422 18411 9498 1 12 . 1 1 33 33 GLY CA C 33 44.684 44.684 44.734 -0.051 18411 9499 1 12 . 1 1 33 33 GLY H H 33 9.120 9.120 8.142 0.978 18411 9500 1 12 . 1 1 34 34 LYS N N 34 120.270 120.270 120.368 -0.098 18411 9501 1 12 . 1 1 34 34 LYS HA H 34 4.606 4.606 5.581 -0.975 18411 9502 1 12 . 1 1 34 34 LYS C C 34 175.350 175.350 177.475 -2.125 18411 9503 1 12 . 1 1 34 34 LYS CA C 34 54.786 54.786 53.546 1.240 18411 9504 1 12 . 1 1 34 34 LYS CB C 34 34.125 34.125 36.410 -2.285 18411 9505 1 12 . 1 1 34 34 LYS H H 34 8.146 8.146 8.003 0.143 18411 9506 1 12 . 1 1 35 35 VAL N N 35 122.059 122.059 120.627 1.432 18411 9507 1 12 . 1 1 35 35 VAL HA H 35 4.020 4.020 4.188 -0.168 18411 9508 1 12 . 1 1 35 35 VAL C C 35 174.699 174.699 174.160 0.539 18411 9509 1 12 . 1 1 35 35 VAL CA C 35 63.108 63.108 62.358 0.750 18411 9510 1 12 . 1 1 35 35 VAL CB C 35 33.022 33.022 31.325 1.698 18411 9511 1 12 . 1 1 35 35 VAL H H 35 8.757 8.757 8.870 -0.113 18411 9512 1 12 . 1 1 36 36 VAL N N 36 125.815 125.815 127.502 -1.687 18411 9513 1 12 . 1 1 36 36 VAL HA H 36 4.856 4.856 4.417 0.439 18411 9514 1 12 . 1 1 36 36 VAL C C 36 174.622 174.622 174.758 -0.136 18411 9515 1 12 . 1 1 36 36 VAL CA C 36 60.078 60.078 60.657 -0.579 18411 9516 1 12 . 1 1 36 36 VAL CB C 36 35.605 35.605 32.394 3.211 18411 9517 1 12 . 1 1 36 36 VAL H H 36 8.485 8.485 8.167 0.318 18411 9518 1 12 . 1 1 37 37 MET N N 37 126.478 126.478 129.093 -2.615 18411 9519 1 12 . 1 1 37 37 MET HA H 37 5.383 5.383 5.161 0.222 18411 9520 1 12 . 1 1 37 37 MET C C 37 173.473 173.473 173.787 -0.314 18411 9521 1 12 . 1 1 37 37 MET CA C 37 53.661 53.661 54.396 -0.735 18411 9522 1 12 . 1 1 37 37 MET CB C 37 35.948 35.948 34.682 1.266 18411 9523 1 12 . 1 1 37 37 MET H H 37 8.694 8.694 8.981 -0.287 18411 9524 1 12 . 1 1 38 38 LEU N N 38 124.275 124.275 127.263 -2.988 18411 9525 1 12 . 1 1 38 38 LEU HA H 38 5.100 5.100 5.029 0.071 18411 9526 1 12 . 1 1 38 38 LEU C C 38 175.828 175.828 174.927 0.901 18411 9527 1 12 . 1 1 38 38 LEU CA C 38 52.144 52.144 53.093 -0.949 18411 9528 1 12 . 1 1 38 38 LEU CB C 38 42.898 42.898 43.578 -0.680 18411 9529 1 12 . 1 1 38 38 LEU H H 38 9.181 9.181 9.274 -0.093 18411 9530 1 12 . 1 1 39 39 GLN N N 39 124.390 124.390 124.209 0.181 18411 9531 1 12 . 1 1 39 39 GLN HA H 39 5.369 5.369 4.977 0.392 18411 9532 1 12 . 1 1 39 39 GLN C C 39 175.696 175.696 174.619 1.077 18411 9533 1 12 . 1 1 39 39 GLN CA C 39 54.025 54.025 53.434 0.591 18411 9534 1 12 . 1 1 39 39 GLN CB C 39 28.735 28.735 30.460 -1.725 18411 9535 1 12 . 1 1 39 39 GLN H H 39 8.325 8.325 8.264 0.061 18411 9536 1 12 . 1 1 40 40 PHE N N 40 128.800 128.800 129.827 -1.027 18411 9537 1 12 . 1 1 40 40 PHE HA H 40 5.182 5.182 5.802 -0.620 18411 9538 1 12 . 1 1 40 40 PHE C C 40 175.432 175.432 175.876 -0.444 18411 9539 1 12 . 1 1 40 40 PHE CA C 40 59.370 59.370 57.656 1.714 18411 9540 1 12 . 1 1 40 40 PHE CB C 40 39.256 39.256 39.911 -0.655 18411 9541 1 12 . 1 1 40 40 PHE H H 40 8.899 8.899 9.322 -0.423 18411 9542 1 12 . 1 1 41 41 THR N N 41 117.616 117.616 117.239 0.377 18411 9543 1 12 . 1 1 41 41 THR HA H 41 5.274 5.274 4.583 0.691 18411 9544 1 12 . 1 1 41 41 THR C C 41 170.795 170.795 171.969 -1.174 18411 9545 1 12 . 1 1 41 41 THR CA C 41 59.448 59.448 59.294 0.154 18411 9546 1 12 . 1 1 41 41 THR CB C 41 70.892 70.892 71.408 -0.516 18411 9547 1 12 . 1 1 41 41 THR H H 41 8.589 8.589 8.832 -0.243 18411 9548 1 12 . 1 1 42 42 ALA N N 42 122.005 122.005 121.144 0.861 18411 9549 1 12 . 1 1 42 42 ALA HA H 42 4.162 4.162 4.882 -0.720 18411 9550 1 12 . 1 1 42 42 ALA C C 42 177.618 177.618 176.936 0.682 18411 9551 1 12 . 1 1 42 42 ALA CA C 42 52.454 52.454 51.027 1.427 18411 9552 1 12 . 1 1 42 42 ALA CB C 42 20.704 20.704 21.407 -0.703 18411 9553 1 12 . 1 1 42 42 ALA H H 42 7.201 7.201 7.816 -0.615 18411 9554 1 12 . 1 1 43 43 SER N N 43 117.426 117.426 118.255 -0.829 18411 9555 1 12 . 1 1 43 43 SER HA H 43 1.542 1.542 2.933 -1.391 18411 9556 1 12 . 1 1 43 43 SER C C 43 174.845 174.845 175.354 -0.509 18411 9557 1 12 . 1 1 43 43 SER CA C 43 60.202 60.202 60.193 0.009 18411 9558 1 12 . 1 1 43 43 SER CB C 43 63.040 63.040 62.906 0.134 18411 9559 1 12 . 1 1 43 43 SER H H 43 9.472 9.472 8.684 0.788 18411 9560 1 12 . 1 1 44 44 TRP N N 44 116.512 116.512 118.270 -1.758 18411 9561 1 12 . 1 1 44 44 TRP HA H 44 4.495 4.495 4.925 -0.430 18411 9562 1 12 . 1 1 44 44 TRP C C 44 176.297 176.297 175.733 0.564 18411 9563 1 12 . 1 1 44 44 TRP CA C 44 53.405 53.405 54.968 -1.563 18411 9564 1 12 . 1 1 44 44 TRP CB C 44 29.450 29.450 28.692 0.758 18411 9565 1 12 . 1 1 44 44 TRP H H 44 6.345 6.345 7.161 -0.816 18411 9566 1 12 . 1 1 45 45 CYS N N 45 125.015 125.015 121.600 3.415 18411 9567 1 12 . 1 1 45 45 CYS HA H 45 4.501 4.501 4.345 0.156 18411 9568 1 12 . 1 1 45 45 CYS C C 45 176.409 176.409 175.934 0.475 18411 9569 1 12 . 1 1 45 45 CYS CA C 45 58.904 58.904 59.281 -0.376 18411 9570 1 12 . 1 1 45 45 CYS CB C 45 28.203 28.203 27.566 0.637 18411 9571 1 12 . 1 1 45 45 CYS H H 45 6.982 6.982 7.119 -0.137 18411 9572 1 12 . 1 1 46 46 GLY CA C 46 47.225 47.225 46.533 0.692 18411 9573 1 12 . 1 1 47 47 VAL HA H 47 3.804 3.804 3.790 0.014 18411 9574 1 12 . 1 1 47 47 VAL CA C 47 66.661 66.661 65.161 1.500 18411 9575 1 12 . 1 1 47 47 VAL CB C 47 31.506 31.506 31.091 0.415 18411 9576 1 12 . 1 1 48 48 CYS HA H 48 3.875 3.875 4.586 -0.711 18411 9577 1 12 . 1 1 48 48 CYS C C 48 177.961 177.961 175.856 2.105 18411 9578 1 12 . 1 1 48 48 CYS CA C 48 65.053 65.053 60.983 4.070 18411 9579 1 12 . 1 1 48 48 CYS CB C 48 28.741 28.741 26.877 1.864 18411 9580 1 12 . 1 1 49 49 ARG N N 49 115.039 115.039 118.215 -3.176 18411 9581 1 12 . 1 1 49 49 ARG HA H 49 3.898 3.898 4.124 -0.226 18411 9582 1 12 . 1 1 49 49 ARG C C 49 177.871 177.871 176.964 0.907 18411 9583 1 12 . 1 1 49 49 ARG CA C 49 59.837 59.837 58.242 1.595 18411 9584 1 12 . 1 1 49 49 ARG CB C 49 30.585 30.585 29.742 0.843 18411 9585 1 12 . 1 1 49 49 ARG H H 49 7.658 7.658 7.445 0.213 18411 9586 1 12 . 1 1 50 50 LYS N N 50 117.909 117.909 118.298 -0.389 18411 9587 1 12 . 1 1 50 50 LYS HA H 50 4.098 4.098 4.184 -0.086 18411 9588 1 12 . 1 1 50 50 LYS C C 50 177.723 177.723 178.016 -0.293 18411 9589 1 12 . 1 1 50 50 LYS CA C 50 58.198 58.198 58.809 -0.612 18411 9590 1 12 . 1 1 50 50 LYS CB C 50 32.803 32.803 32.962 -0.159 18411 9591 1 12 . 1 1 50 50 LYS H H 50 7.385 7.385 7.940 -0.555 18411 9592 1 12 . 1 1 51 51 GLU N N 51 117.196 117.196 119.645 -2.449 18411 9593 1 12 . 1 1 51 51 GLU HA H 51 3.453 3.453 3.544 -0.091 18411 9594 1 12 . 1 1 51 51 GLU C C 51 179.194 179.194 178.766 0.428 18411 9595 1 12 . 1 1 51 51 GLU CA C 51 57.754 57.754 58.654 -0.900 18411 9596 1 12 . 1 1 51 51 GLU CB C 51 29.825 29.825 28.796 1.029 18411 9597 1 12 . 1 1 51 51 GLU H H 51 7.764 7.764 7.652 0.113 18411 9598 1 12 . 1 1 52 52 MET N N 52 118.785 118.785 120.890 -2.105 18411 9599 1 12 . 1 1 52 52 MET HA H 52 3.979 3.979 4.532 -0.553 18411 9600 1 12 . 1 1 52 52 MET C C 52 174.346 174.346 175.693 -1.347 18411 9601 1 12 . 1 1 52 52 MET CA C 52 62.384 62.384 59.301 3.083 18411 9602 1 12 . 1 1 52 52 MET CB C 52 32.805 32.805 29.401 3.404 18411 9603 1 12 . 1 1 52 52 MET H H 52 8.100 8.100 8.516 -0.416 18411 9604 1 12 . 1 1 53 53 PRO HA H 53 4.299 4.299 4.205 0.094 18411 9605 1 12 . 1 1 53 53 PRO C C 53 179.242 179.242 179.524 -0.282 18411 9606 1 12 . 1 1 53 53 PRO CA C 53 65.708 65.708 66.259 -0.551 18411 9607 1 12 . 1 1 53 53 PRO CB C 53 31.570 31.570 31.351 0.219 18411 9608 1 12 . 1 1 54 54 PHE N N 54 116.067 116.067 117.376 -1.309 18411 9609 1 12 . 1 1 54 54 PHE HA H 54 4.372 4.372 4.329 0.043 18411 9610 1 12 . 1 1 54 54 PHE C C 54 178.283 178.283 178.586 -0.303 18411 9611 1 12 . 1 1 54 54 PHE CA C 54 61.249 61.249 62.465 -1.216 18411 9612 1 12 . 1 1 54 54 PHE CB C 54 38.366 38.366 38.724 -0.358 18411 9613 1 12 . 1 1 54 54 PHE H H 54 7.251 7.251 7.693 -0.442 18411 9614 1 12 . 1 1 55 55 ILE N N 55 122.051 122.051 120.150 1.901 18411 9615 1 12 . 1 1 55 55 ILE HA H 55 3.746 3.746 3.972 -0.226 18411 9616 1 12 . 1 1 55 55 ILE C C 55 179.005 179.005 178.055 0.950 18411 9617 1 12 . 1 1 55 55 ILE CA C 55 66.678 66.678 66.178 0.500 18411 9618 1 12 . 1 1 55 55 ILE CB C 55 37.449 37.449 37.920 -0.471 18411 9619 1 12 . 1 1 55 55 ILE H H 55 7.935 7.935 9.166 -1.231 18411 9620 1 12 . 1 1 56 56 GLU N N 56 120.941 120.941 120.755 0.186 18411 9621 1 12 . 1 1 56 56 GLU HA H 56 4.578 4.578 4.215 0.362 18411 9622 1 12 . 1 1 56 56 GLU C C 56 177.034 177.034 178.328 -1.294 18411 9623 1 12 . 1 1 56 56 GLU CA C 56 59.607 59.607 60.083 -0.476 18411 9624 1 12 . 1 1 56 56 GLU CB C 56 29.640 29.640 29.301 0.339 18411 9625 1 12 . 1 1 56 56 GLU H H 56 8.657 8.657 8.500 0.157 18411 9626 1 12 . 1 1 57 57 LYS N N 57 114.712 114.712 118.030 -3.318 18411 9627 1 12 . 1 1 57 57 LYS HA H 57 4.165 4.165 4.135 0.030 18411 9628 1 12 . 1 1 57 57 LYS C C 57 177.831 177.831 178.632 -0.801 18411 9629 1 12 . 1 1 57 57 LYS CA C 57 59.905 59.905 59.431 0.474 18411 9630 1 12 . 1 1 57 57 LYS CB C 57 33.873 33.873 32.601 1.272 18411 9631 1 12 . 1 1 57 57 LYS H H 57 7.719 7.719 8.043 -0.324 18411 9632 1 12 . 1 1 58 58 ASP N N 58 114.953 114.953 116.684 -1.731 18411 9633 1 12 . 1 1 58 58 ASP HA H 58 4.843 4.843 4.675 0.168 18411 9634 1 12 . 1 1 58 58 ASP C C 58 176.515 176.515 177.247 -0.732 18411 9635 1 12 . 1 1 58 58 ASP CA C 58 56.125 56.125 56.668 -0.543 18411 9636 1 12 . 1 1 58 58 ASP CB C 58 42.087 42.087 42.409 -0.322 18411 9637 1 12 . 1 1 58 58 ASP H H 58 8.783 8.783 8.416 0.367 18411 9638 1 12 . 1 1 59 59 ILE N N 59 115.807 115.807 117.908 -2.101 18411 9639 1 12 . 1 1 59 59 ILE HA H 59 4.268 4.268 4.199 0.069 18411 9640 1 12 . 1 1 59 59 ILE C C 59 176.369 176.369 176.944 -0.575 18411 9641 1 12 . 1 1 59 59 ILE CA C 59 63.757 63.757 62.923 0.834 18411 9642 1 12 . 1 1 59 59 ILE CB C 59 40.396 40.396 39.434 0.962 18411 9643 1 12 . 1 1 59 59 ILE H H 59 7.455 7.455 7.705 -0.250 18411 9644 1 12 . 1 1 60 60 TRP N N 60 120.937 120.937 122.367 -1.430 18411 9645 1 12 . 1 1 60 60 TRP HA H 60 4.727 4.727 4.357 0.370 18411 9646 1 12 . 1 1 60 60 TRP C C 60 177.428 177.428 178.327 -0.899 18411 9647 1 12 . 1 1 60 60 TRP CA C 60 60.644 60.644 60.853 -0.209 18411 9648 1 12 . 1 1 60 60 TRP CB C 60 30.907 30.907 30.378 0.529 18411 9649 1 12 . 1 1 60 60 TRP H H 60 9.012 9.012 8.719 0.293 18411 9650 1 12 . 1 1 61 61 LEU N N 61 113.624 113.624 118.165 -4.541 18411 9651 1 12 . 1 1 61 61 LEU HA H 61 3.572 3.572 3.805 -0.233 18411 9652 1 12 . 1 1 61 61 LEU C C 61 179.473 179.473 179.119 0.354 18411 9653 1 12 . 1 1 61 61 LEU CA C 61 57.569 57.569 58.384 -0.815 18411 9654 1 12 . 1 1 61 61 LEU CB C 61 41.040 41.040 41.000 0.040 18411 9655 1 12 . 1 1 61 61 LEU H H 61 9.210 9.210 8.794 0.416 18411 9656 1 12 . 1 1 62 62 LYS N N 62 112.991 112.991 116.574 -3.583 18411 9657 1 12 . 1 1 62 62 LYS HA H 62 3.889 3.889 3.858 0.031 18411 9658 1 12 . 1 1 62 62 LYS C C 62 178.111 178.111 177.465 0.646 18411 9659 1 12 . 1 1 62 62 LYS CA C 62 56.667 56.667 58.454 -1.787 18411 9660 1 12 . 1 1 62 62 LYS CB C 62 31.651 31.651 31.709 -0.058 18411 9661 1 12 . 1 1 62 62 LYS H H 62 6.216 6.216 7.916 -1.700 18411 9662 1 12 . 1 1 63 63 HIS N N 63 114.656 114.656 112.969 1.687 18411 9663 1 12 . 1 1 63 63 HIS HA H 63 4.943 4.943 4.602 0.341 18411 9664 1 12 . 1 1 63 63 HIS C C 63 177.057 177.057 175.480 1.577 18411 9665 1 12 . 1 1 63 63 HIS CA C 63 56.133 56.133 56.483 -0.350 18411 9666 1 12 . 1 1 63 63 HIS CB C 63 33.235 33.235 32.967 0.268 18411 9667 1 12 . 1 1 63 63 HIS H H 63 7.067 7.067 7.562 -0.495 18411 9668 1 12 . 1 1 64 64 LYS N N 64 119.155 119.155 116.768 2.387 18411 9669 1 12 . 1 1 64 64 LYS HA H 64 3.513 3.513 2.144 1.369 18411 9670 1 12 . 1 1 64 64 LYS C C 64 177.074 177.074 175.947 1.127 18411 9671 1 12 . 1 1 64 64 LYS CA C 64 59.166 59.166 59.249 -0.083 18411 9672 1 12 . 1 1 64 64 LYS CB C 64 28.740 28.740 30.020 -1.280 18411 9673 1 12 . 1 1 64 64 LYS H H 64 8.114 8.114 8.199 -0.085 18411 9674 1 12 . 1 1 65 65 ASP N N 65 117.882 117.882 118.418 -0.536 18411 9675 1 12 . 1 1 65 65 ASP HA H 65 4.714 4.714 5.005 -0.291 18411 9676 1 12 . 1 1 65 65 ASP C C 65 175.195 175.195 178.136 -2.941 18411 9677 1 12 . 1 1 65 65 ASP CA C 65 54.204 54.204 54.187 0.017 18411 9678 1 12 . 1 1 65 65 ASP CB C 65 40.564 40.564 43.246 -2.682 18411 9679 1 12 . 1 1 65 65 ASP H H 65 7.963 7.963 7.992 -0.029 18411 9680 1 12 . 1 1 66 66 ASN N N 66 122.091 122.091 117.430 4.661 18411 9681 1 12 . 1 1 66 66 ASN HA H 66 4.659 4.659 4.274 0.385 18411 9682 1 12 . 1 1 66 66 ASN C C 66 176.046 176.046 174.691 1.355 18411 9683 1 12 . 1 1 66 66 ASN CA C 66 52.799 52.799 55.806 -3.007 18411 9684 1 12 . 1 1 66 66 ASN CB C 66 39.054 39.054 37.545 1.509 18411 9685 1 12 . 1 1 66 66 ASN H H 66 8.184 8.184 8.291 -0.107 18411 9686 1 12 . 1 1 67 67 ALA N N 67 128.893 128.893 118.795 10.098 18411 9687 1 12 . 1 1 67 67 ALA HA H 67 4.295 4.295 4.218 0.077 18411 9688 1 12 . 1 1 67 67 ALA C C 67 177.886 177.886 175.787 2.099 18411 9689 1 12 . 1 1 67 67 ALA CA C 67 54.049 54.049 52.865 1.184 18411 9690 1 12 . 1 1 67 67 ALA CB C 67 18.549 18.549 20.141 -1.592 18411 9691 1 12 . 1 1 67 67 ALA H H 67 8.806 8.806 8.313 0.493 18411 9692 1 12 . 1 1 68 68 ASP N N 68 116.612 116.612 119.391 -2.779 18411 9693 1 12 . 1 1 68 68 ASP HA H 68 4.823 4.823 4.873 -0.050 18411 9694 1 12 . 1 1 68 68 ASP C C 68 173.310 173.310 174.080 -0.770 18411 9695 1 12 . 1 1 68 68 ASP CA C 68 54.202 54.202 53.933 0.269 18411 9696 1 12 . 1 1 68 68 ASP CB C 68 40.892 40.892 42.667 -1.775 18411 9697 1 12 . 1 1 68 68 ASP H H 68 8.759 8.759 8.102 0.657 18411 9698 1 12 . 1 1 69 69 PHE N N 69 119.640 119.640 121.331 -1.691 18411 9699 1 12 . 1 1 69 69 PHE HA H 69 5.741 5.741 5.384 0.357 18411 9700 1 12 . 1 1 69 69 PHE C C 69 173.860 173.860 172.702 1.158 18411 9701 1 12 . 1 1 69 69 PHE CA C 69 56.192 56.192 56.079 0.113 18411 9702 1 12 . 1 1 69 69 PHE CB C 69 43.496 43.496 43.221 0.275 18411 9703 1 12 . 1 1 69 69 PHE H H 69 7.912 7.912 8.134 -0.222 18411 9704 1 12 . 1 1 70 70 ALA N N 70 130.226 130.226 128.029 2.197 18411 9705 1 12 . 1 1 70 70 ALA HA H 70 4.321 4.321 4.706 -0.385 18411 9706 1 12 . 1 1 70 70 ALA C C 70 171.945 171.945 174.050 -2.105 18411 9707 1 12 . 1 1 70 70 ALA CA C 70 51.573 51.573 50.857 0.716 18411 9708 1 12 . 1 1 70 70 ALA CB C 70 23.273 23.273 22.835 0.438 18411 9709 1 12 . 1 1 70 70 ALA H H 70 8.298 8.298 8.576 -0.278 18411 9710 1 12 . 1 1 71 71 LEU N N 71 122.090 122.090 124.106 -2.016 18411 9711 1 12 . 1 1 71 71 LEU HA H 71 5.120 5.120 5.327 -0.207 18411 9712 1 12 . 1 1 71 71 LEU C C 71 174.836 174.836 175.082 -0.246 18411 9713 1 12 . 1 1 71 71 LEU CA C 71 53.348 53.348 53.925 -0.577 18411 9714 1 12 . 1 1 71 71 LEU CB C 71 46.617 46.617 45.148 1.469 18411 9715 1 12 . 1 1 71 71 LEU H H 71 7.217 7.217 8.598 -1.381 18411 9716 1 12 . 1 1 72 72 ILE N N 72 123.189 123.189 124.897 -1.708 18411 9717 1 12 . 1 1 72 72 ILE HA H 72 4.336 4.336 4.689 -0.353 18411 9718 1 12 . 1 1 72 72 ILE C C 72 175.377 175.377 174.861 0.516 18411 9719 1 12 . 1 1 72 72 ILE CA C 72 60.236 60.236 59.895 0.341 18411 9720 1 12 . 1 1 72 72 ILE CB C 72 42.355 42.355 42.223 0.132 18411 9721 1 12 . 1 1 72 72 ILE H H 72 8.211 8.211 8.566 -0.355 18411 9722 1 12 . 1 1 73 73 GLY N N 73 114.189 114.189 114.765 -0.576 18411 9723 1 12 . 1 1 73 73 GLY C C 73 172.626 172.626 173.004 -0.378 18411 9724 1 12 . 1 1 73 73 GLY CA C 73 44.213 44.213 43.975 0.238 18411 9725 1 12 . 1 1 73 73 GLY H H 73 9.202 9.202 8.658 0.544 18411 9726 1 12 . 1 1 74 74 ILE N N 74 126.577 126.577 127.802 -1.225 18411 9727 1 12 . 1 1 74 74 ILE HA H 74 3.873 3.873 4.786 -0.913 18411 9728 1 12 . 1 1 74 74 ILE C C 74 174.792 174.792 174.866 -0.074 18411 9729 1 12 . 1 1 74 74 ILE CA C 74 61.660 61.660 60.385 1.275 18411 9730 1 12 . 1 1 74 74 ILE CB C 74 37.394 37.394 39.048 -1.655 18411 9731 1 12 . 1 1 74 74 ILE H H 74 9.279 9.279 9.057 0.222 18411 9732 1 12 . 1 1 75 75 ASP N N 75 129.040 129.040 128.198 0.842 18411 9733 1 12 . 1 1 75 75 ASP HA H 75 5.213 5.213 5.017 0.196 18411 9734 1 12 . 1 1 75 75 ASP C C 75 175.696 175.696 176.613 -0.917 18411 9735 1 12 . 1 1 75 75 ASP CA C 75 52.425 52.425 53.758 -1.333 18411 9736 1 12 . 1 1 75 75 ASP CB C 75 41.673 41.673 43.650 -1.977 18411 9737 1 12 . 1 1 75 75 ASP H H 75 8.592 8.592 8.873 -0.281 18411 9738 1 12 . 1 1 76 76 ARG N N 76 128.762 128.762 124.844 3.918 18411 9739 1 12 . 1 1 76 76 ARG HA H 76 4.346 4.346 4.020 0.326 18411 9740 1 12 . 1 1 76 76 ARG C C 76 174.562 174.562 175.544 -0.982 18411 9741 1 12 . 1 1 76 76 ARG CA C 76 58.885 58.885 58.569 0.316 18411 9742 1 12 . 1 1 76 76 ARG CB C 76 32.732 32.732 31.278 1.454 18411 9743 1 12 . 1 1 76 76 ARG H H 76 8.842 8.842 8.674 0.168 18411 9744 1 12 . 1 1 77 77 ASP N N 77 128.451 128.451 112.422 16.029 18411 9745 1 12 . 1 1 77 77 ASP HA H 77 4.473 4.473 4.796 -0.323 18411 9746 1 12 . 1 1 77 77 ASP C C 77 173.969 173.969 175.809 -1.840 18411 9747 1 12 . 1 1 77 77 ASP CA C 77 56.139 56.139 53.672 2.467 18411 9748 1 12 . 1 1 77 77 ASP CB C 77 42.541 42.541 42.723 -0.182 18411 9749 1 12 . 1 1 77 77 ASP H H 77 8.256 8.256 8.369 -0.113 18411 9750 1 12 . 1 1 78 78 GLU N N 78 114.796 114.796 122.689 -7.893 18411 9751 1 12 . 1 1 78 78 GLU HA H 78 5.060 5.060 4.717 0.343 18411 9752 1 12 . 1 1 78 78 GLU C C 78 174.225 174.225 174.931 -0.706 18411 9753 1 12 . 1 1 78 78 GLU CA C 78 54.220 54.220 54.191 0.029 18411 9754 1 12 . 1 1 78 78 GLU CB C 78 32.842 32.842 29.759 3.083 18411 9755 1 12 . 1 1 78 78 GLU H H 78 8.010 8.010 8.915 -0.905 18411 9756 1 12 . 1 1 79 79 PRO HA H 79 4.579 4.579 4.454 0.125 18411 9757 1 12 . 1 1 79 79 PRO C C 79 177.508 177.508 177.772 -0.264 18411 9758 1 12 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.330 -0.263 18411 9759 1 12 . 1 1 79 79 PRO CB C 79 33.096 33.096 32.597 0.499 18411 9760 1 12 . 1 1 80 80 LEU N N 80 122.209 122.209 121.725 0.484 18411 9761 1 12 . 1 1 80 80 LEU HA H 80 3.927 3.927 4.048 -0.121 18411 9762 1 12 . 1 1 80 80 LEU C C 80 177.847 177.847 178.400 -0.553 18411 9763 1 12 . 1 1 80 80 LEU CA C 80 59.188 59.188 59.199 -0.011 18411 9764 1 12 . 1 1 80 80 LEU CB C 80 42.001 42.001 40.961 1.040 18411 9765 1 12 . 1 1 80 80 LEU H H 80 8.943 8.943 8.495 0.448 18411 9766 1 12 . 1 1 81 81 GLU N N 81 115.361 115.361 117.719 -2.358 18411 9767 1 12 . 1 1 81 81 GLU HA H 81 3.999 3.999 4.095 -0.096 18411 9768 1 12 . 1 1 81 81 GLU C C 81 180.044 180.044 178.860 1.184 18411 9769 1 12 . 1 1 81 81 GLU CA C 81 60.552 60.552 59.350 1.202 18411 9770 1 12 . 1 1 81 81 GLU CB C 81 28.723 28.723 28.275 0.448 18411 9771 1 12 . 1 1 81 81 GLU H H 81 9.534 9.534 8.996 0.538 18411 9772 1 12 . 1 1 82 82 LYS N N 82 118.582 118.582 120.470 -1.888 18411 9773 1 12 . 1 1 82 82 LYS HA H 82 4.183 4.183 4.108 0.075 18411 9774 1 12 . 1 1 82 82 LYS C C 82 179.226 179.226 178.942 0.284 18411 9775 1 12 . 1 1 82 82 LYS CA C 82 58.248 58.248 58.858 -0.609 18411 9776 1 12 . 1 1 82 82 LYS CB C 82 32.912 32.912 31.423 1.489 18411 9777 1 12 . 1 1 82 82 LYS H H 82 7.332 7.332 7.908 -0.576 18411 9778 1 12 . 1 1 83 83 VAL N N 83 122.971 122.971 120.340 2.631 18411 9779 1 12 . 1 1 83 83 VAL HA H 83 3.554 3.554 3.777 -0.223 18411 9780 1 12 . 1 1 83 83 VAL C C 83 178.331 178.331 178.332 -0.001 18411 9781 1 12 . 1 1 83 83 VAL CA C 83 67.063 67.063 66.093 0.970 18411 9782 1 12 . 1 1 83 83 VAL CB C 83 31.497 31.497 31.049 0.448 18411 9783 1 12 . 1 1 83 83 VAL H H 83 7.743 7.743 7.877 -0.134 18411 9784 1 12 . 1 1 84 84 LEU N N 84 119.209 119.209 120.778 -1.569 18411 9785 1 12 . 1 1 84 84 LEU HA H 84 4.030 4.030 3.987 0.043 18411 9786 1 12 . 1 1 84 84 LEU C C 84 180.647 180.647 179.133 1.514 18411 9787 1 12 . 1 1 84 84 LEU CA C 84 57.975 57.975 58.105 -0.130 18411 9788 1 12 . 1 1 84 84 LEU CB C 84 42.010 42.010 40.296 1.714 18411 9789 1 12 . 1 1 84 84 LEU H H 84 8.706 8.706 8.193 0.513 18411 9790 1 12 . 1 1 85 85 ALA N N 85 120.801 120.801 121.734 -0.933 18411 9791 1 12 . 1 1 85 85 ALA HA H 85 4.198 4.198 4.057 0.141 18411 9792 1 12 . 1 1 85 85 ALA C C 85 180.253 180.253 179.239 1.014 18411 9793 1 12 . 1 1 85 85 ALA CA C 85 54.947 54.947 54.975 -0.028 18411 9794 1 12 . 1 1 85 85 ALA CB C 85 17.973 17.973 18.415 -0.442 18411 9795 1 12 . 1 1 85 85 ALA H H 85 7.440 7.440 8.460 -1.020 18411 9796 1 12 . 1 1 86 86 PHE N N 86 123.035 123.035 119.893 3.142 18411 9797 1 12 . 1 1 86 86 PHE HA H 86 4.905 4.905 4.052 0.853 18411 9798 1 12 . 1 1 86 86 PHE C C 86 179.015 179.015 176.574 2.441 18411 9799 1 12 . 1 1 86 86 PHE CA C 86 56.648 56.648 61.076 -4.428 18411 9800 1 12 . 1 1 86 86 PHE CB C 86 39.249 39.249 39.321 -0.072 18411 9801 1 12 . 1 1 86 86 PHE H H 86 8.040 8.040 8.150 -0.110 18411 9802 1 12 . 1 1 87 87 ALA N N 87 123.932 123.932 121.611 2.321 18411 9803 1 12 . 1 1 87 87 ALA HA H 87 3.480 3.480 3.805 -0.325 18411 9804 1 12 . 1 1 87 87 ALA C C 87 179.800 179.800 179.655 0.145 18411 9805 1 12 . 1 1 87 87 ALA CA C 87 55.183 55.183 55.093 0.090 18411 9806 1 12 . 1 1 87 87 ALA CB C 87 17.602 17.602 18.354 -0.752 18411 9807 1 12 . 1 1 87 87 ALA H H 87 8.453 8.453 8.558 -0.105 18411 9808 1 12 . 1 1 88 88 LYS N N 88 116.535 116.535 116.468 0.067 18411 9809 1 12 . 1 1 88 88 LYS HA H 88 4.030 4.030 4.070 -0.040 18411 9810 1 12 . 1 1 88 88 LYS C C 88 179.562 179.562 177.137 2.425 18411 9811 1 12 . 1 1 88 88 LYS CA C 88 59.063 59.063 58.045 1.018 18411 9812 1 12 . 1 1 88 88 LYS CB C 88 32.466 32.466 31.692 0.774 18411 9813 1 12 . 1 1 88 88 LYS H H 88 7.664 7.664 7.771 -0.107 18411 9814 1 12 . 1 1 89 89 SER N N 89 113.619 113.619 115.184 -1.565 18411 9815 1 12 . 1 1 89 89 SER HA H 89 4.271 4.271 4.439 -0.168 18411 9816 1 12 . 1 1 89 89 SER C C 89 177.004 177.004 175.461 1.543 18411 9817 1 12 . 1 1 89 89 SER CA C 89 61.139 61.139 60.386 0.753 18411 9818 1 12 . 1 1 89 89 SER CB C 89 63.327 63.327 63.853 -0.526 18411 9819 1 12 . 1 1 89 89 SER H H 89 8.417 8.417 7.638 0.779 18411 9820 1 12 . 1 1 90 90 THR N N 90 109.601 109.601 111.667 -2.066 18411 9821 1 12 . 1 1 90 90 THR HA H 90 4.287 4.287 4.271 0.016 18411 9822 1 12 . 1 1 90 90 THR C C 90 176.074 176.074 175.001 1.073 18411 9823 1 12 . 1 1 90 90 THR CA C 90 62.926 62.926 61.633 1.293 18411 9824 1 12 . 1 1 90 90 THR CB C 90 70.563 70.563 68.583 1.980 18411 9825 1 12 . 1 1 90 90 THR H H 90 7.710 7.710 7.410 0.300 18411 9826 1 12 . 1 1 91 91 GLY N N 91 110.243 110.243 109.238 1.005 18411 9827 1 12 . 1 1 91 91 GLY C C 91 174.815 174.815 174.440 0.375 18411 9828 1 12 . 1 1 91 91 GLY CA C 91 46.042 46.042 45.524 0.518 18411 9829 1 12 . 1 1 91 91 GLY H H 91 7.609 7.609 7.445 0.164 18411 9830 1 12 . 1 1 92 92 VAL N N 92 112.099 112.099 121.927 -9.828 18411 9831 1 12 . 1 1 92 92 VAL HA H 92 4.309 4.309 3.963 0.346 18411 9832 1 12 . 1 1 92 92 VAL C C 92 178.372 178.372 176.240 2.132 18411 9833 1 12 . 1 1 92 92 VAL CA C 92 60.696 60.696 63.289 -2.593 18411 9834 1 12 . 1 1 92 92 VAL CB C 92 32.337 32.337 31.502 0.835 18411 9835 1 12 . 1 1 92 92 VAL H H 92 7.046 7.046 7.250 -0.204 18411 9836 1 12 . 1 1 93 93 THR N N 93 114.289 114.289 120.238 -5.949 18411 9837 1 12 . 1 1 93 93 THR HA H 93 4.457 4.457 4.285 0.172 18411 9838 1 12 . 1 1 93 93 THR C C 93 175.115 175.115 174.140 0.975 18411 9839 1 12 . 1 1 93 93 THR CA C 93 61.280 61.280 61.779 -0.499 18411 9840 1 12 . 1 1 93 93 THR CB C 93 70.314 70.314 70.142 0.172 18411 9841 1 12 . 1 1 93 93 THR H H 93 10.844 10.844 9.104 1.740 18411 9842 1 12 . 1 1 94 94 TYR N N 94 122.050 122.050 122.043 0.007 18411 9843 1 12 . 1 1 94 94 TYR HA H 94 3.740 3.740 4.047 -0.307 18411 9844 1 12 . 1 1 94 94 TYR C C 94 171.563 171.563 173.579 -2.016 18411 9845 1 12 . 1 1 94 94 TYR CA C 94 53.080 53.080 53.692 -0.612 18411 9846 1 12 . 1 1 94 94 TYR CB C 94 34.195 34.195 36.130 -1.935 18411 9847 1 12 . 1 1 94 94 TYR H H 94 6.391 6.391 7.070 -0.679 18411 9848 1 12 . 1 1 95 95 PRO HA H 95 4.105 4.105 4.269 -0.164 18411 9849 1 12 . 1 1 95 95 PRO C C 95 175.152 175.152 175.654 -0.502 18411 9850 1 12 . 1 1 95 95 PRO CA C 95 63.799 63.799 62.907 0.892 18411 9851 1 12 . 1 1 95 95 PRO CB C 95 32.919 32.919 32.143 0.776 18411 9852 1 12 . 1 1 96 96 LEU N N 96 122.325 122.325 123.851 -1.526 18411 9853 1 12 . 1 1 96 96 LEU HA H 96 5.143 5.143 5.089 0.054 18411 9854 1 12 . 1 1 96 96 LEU C C 96 176.072 176.072 176.627 -0.555 18411 9855 1 12 . 1 1 96 96 LEU CA C 96 52.794 52.794 53.648 -0.854 18411 9856 1 12 . 1 1 96 96 LEU CB C 96 45.567 45.567 44.654 0.913 18411 9857 1 12 . 1 1 96 96 LEU H H 96 8.256 8.256 8.459 -0.203 18411 9858 1 12 . 1 1 97 97 GLY N N 97 107.295 107.295 108.104 -0.809 18411 9859 1 12 . 1 1 97 97 GLY C C 97 171.546 171.546 172.406 -0.860 18411 9860 1 12 . 1 1 97 97 GLY CA C 97 44.069 44.069 43.705 0.364 18411 9861 1 12 . 1 1 97 97 GLY H H 97 9.177 9.177 9.163 0.014 18411 9862 1 12 . 1 1 98 98 LEU N N 98 118.550 118.550 119.394 -0.844 18411 9863 1 12 . 1 1 98 98 LEU HA H 98 4.872 4.872 4.748 0.124 18411 9864 1 12 . 1 1 98 98 LEU C C 98 176.132 176.132 174.654 1.478 18411 9865 1 12 . 1 1 98 98 LEU CA C 98 54.460 54.460 53.858 0.602 18411 9866 1 12 . 1 1 98 98 LEU CB C 98 43.567 43.567 43.167 0.400 18411 9867 1 12 . 1 1 98 98 LEU H H 98 8.106 8.106 8.320 -0.214 18411 9868 1 12 . 1 1 99 99 ASP N N 99 118.061 118.061 122.408 -4.347 18411 9869 1 12 . 1 1 99 99 ASP HA H 99 5.403 5.403 5.162 0.241 18411 9870 1 12 . 1 1 99 99 ASP C C 99 175.069 175.069 174.345 0.724 18411 9871 1 12 . 1 1 99 99 ASP CA C 99 51.057 51.057 50.459 0.598 18411 9872 1 12 . 1 1 99 99 ASP CB C 99 42.069 42.069 42.041 0.028 18411 9873 1 12 . 1 1 99 99 ASP H H 99 8.481 8.481 8.444 0.037 18411 9874 1 12 . 1 1 100 100 PRO HA H 100 4.564 4.564 4.394 0.170 18411 9875 1 12 . 1 1 100 100 PRO C C 100 179.600 179.600 177.208 2.392 18411 9876 1 12 . 1 1 100 100 PRO CA C 100 64.020 64.020 63.838 0.182 18411 9877 1 12 . 1 1 100 100 PRO CB C 100 31.455 31.455 30.985 0.470 18411 9878 1 12 . 1 1 101 101 GLY N N 101 114.780 114.780 111.877 2.903 18411 9879 1 12 . 1 1 101 101 GLY C C 101 173.600 173.600 173.987 -0.387 18411 9880 1 12 . 1 1 101 101 GLY CA C 101 46.175 46.175 44.731 1.444 18411 9881 1 12 . 1 1 101 101 GLY H H 101 9.045 9.045 8.217 0.828 18411 9882 1 12 . 1 1 102 102 ALA N N 102 117.089 117.089 121.738 -4.649 18411 9883 1 12 . 1 1 102 102 ALA HA H 102 4.376 4.376 4.207 0.169 18411 9884 1 12 . 1 1 102 102 ALA C C 102 175.955 175.955 177.186 -1.231 18411 9885 1 12 . 1 1 102 102 ALA CA C 102 52.693 52.693 52.718 -0.025 18411 9886 1 12 . 1 1 102 102 ALA CB C 102 18.256 18.256 17.240 1.016 18411 9887 1 12 . 1 1 102 102 ALA H H 102 8.257 8.257 8.139 0.118 18411 9888 1 12 . 1 1 103 103 ASP N N 103 118.691 118.691 119.641 -0.950 18411 9889 1 12 . 1 1 103 103 ASP HA H 103 4.444 4.444 4.538 -0.094 18411 9890 1 12 . 1 1 103 103 ASP C C 103 179.021 179.021 177.754 1.267 18411 9891 1 12 . 1 1 103 103 ASP CA C 103 57.935 57.935 57.189 0.746 18411 9892 1 12 . 1 1 103 103 ASP CB C 103 41.368 41.368 41.381 -0.013 18411 9893 1 12 . 1 1 103 103 ASP H H 103 6.739 6.739 8.564 -1.825 18411 9894 1 12 . 1 1 104 104 ILE N N 104 126.075 126.075 119.761 6.314 18411 9895 1 12 . 1 1 104 104 ILE HA H 104 3.682 3.682 3.721 -0.039 18411 9896 1 12 . 1 1 104 104 ILE C C 104 179.321 179.321 177.489 1.832 18411 9897 1 12 . 1 1 104 104 ILE CA C 104 66.522 66.522 64.911 1.611 18411 9898 1 12 . 1 1 104 104 ILE CB C 104 36.754 36.754 37.993 -1.239 18411 9899 1 12 . 1 1 104 104 ILE H H 104 11.476 11.476 8.054 3.422 18411 9900 1 12 . 1 1 105 105 PHE N N 105 124.513 124.513 119.421 5.092 18411 9901 1 12 . 1 1 105 105 PHE HA H 105 3.646 3.646 3.792 -0.146 18411 9902 1 12 . 1 1 105 105 PHE C C 105 177.818 177.818 176.407 1.411 18411 9903 1 12 . 1 1 105 105 PHE CA C 105 62.948 62.948 61.331 1.617 18411 9904 1 12 . 1 1 105 105 PHE CB C 105 38.350 38.350 39.258 -0.908 18411 9905 1 12 . 1 1 105 105 PHE H H 105 9.473 9.473 9.084 0.389 18411 9906 1 12 . 1 1 106 106 ALA N N 106 115.835 115.835 120.187 -4.352 18411 9907 1 12 . 1 1 106 106 ALA HA H 106 4.927 4.927 4.551 0.376 18411 9908 1 12 . 1 1 106 106 ALA C C 106 179.271 179.271 178.310 0.961 18411 9909 1 12 . 1 1 106 106 ALA CA C 106 52.672 52.672 53.682 -1.010 18411 9910 1 12 . 1 1 106 106 ALA CB C 106 19.093 19.093 18.654 0.439 18411 9911 1 12 . 1 1 106 106 ALA H H 106 8.418 8.418 7.564 0.854 18411 9912 1 12 . 1 1 107 107 LYS N N 107 116.823 116.823 116.135 0.688 18411 9913 1 12 . 1 1 107 107 LYS HA H 107 4.145 4.145 4.025 0.120 18411 9914 1 12 . 1 1 107 107 LYS C C 107 176.006 176.006 176.941 -0.935 18411 9915 1 12 . 1 1 107 107 LYS CA C 107 57.980 57.980 58.031 -0.050 18411 9916 1 12 . 1 1 107 107 LYS CB C 107 33.041 33.041 32.570 0.471 18411 9917 1 12 . 1 1 107 107 LYS H H 107 8.106 8.106 7.630 0.476 18411 9918 1 12 . 1 1 108 108 TYR N N 108 114.793 114.793 115.406 -0.613 18411 9919 1 12 . 1 1 108 108 TYR HA H 108 4.311 4.311 4.460 -0.149 18411 9920 1 12 . 1 1 108 108 TYR C C 108 176.010 176.010 174.101 1.909 18411 9921 1 12 . 1 1 108 108 TYR CA C 108 59.270 59.270 59.336 -0.066 18411 9922 1 12 . 1 1 108 108 TYR CB C 108 40.965 40.965 41.267 -0.302 18411 9923 1 12 . 1 1 108 108 TYR H H 108 7.811 7.811 7.457 0.354 18411 9924 1 12 . 1 1 109 109 ALA N N 109 125.709 125.709 117.575 8.134 18411 9925 1 12 . 1 1 109 109 ALA HA H 109 4.760 4.760 4.531 0.229 18411 9926 1 12 . 1 1 109 109 ALA C C 109 174.711 174.711 174.800 -0.089 18411 9927 1 12 . 1 1 109 109 ALA CA C 109 50.276 50.276 50.482 -0.206 18411 9928 1 12 . 1 1 109 109 ALA CB C 109 21.924 21.924 20.983 0.941 18411 9929 1 12 . 1 1 109 109 ALA H H 109 8.595 8.595 8.101 0.494 18411 9930 1 12 . 1 1 110 110 LEU N N 110 117.834 117.834 120.713 -2.879 18411 9931 1 12 . 1 1 110 110 LEU HA H 110 4.137 4.137 4.246 -0.109 18411 9932 1 12 . 1 1 110 110 LEU C C 110 179.153 179.153 178.662 0.491 18411 9933 1 12 . 1 1 110 110 LEU CA C 110 55.164 55.164 55.240 -0.076 18411 9934 1 12 . 1 1 110 110 LEU CB C 110 42.292 42.292 42.583 -0.291 18411 9935 1 12 . 1 1 110 110 LEU H H 110 7.814 7.814 8.339 -0.525 18411 9936 1 12 . 1 1 111 111 ARG N N 111 119.787 119.787 122.051 -2.264 18411 9937 1 12 . 1 1 111 111 ARG HA H 111 3.916 3.916 4.363 -0.447 18411 9938 1 12 . 1 1 111 111 ARG C C 111 176.962 176.962 177.148 -0.186 18411 9939 1 12 . 1 1 111 111 ARG CA C 111 60.538 60.538 59.697 0.841 18411 9940 1 12 . 1 1 111 111 ARG CB C 111 30.424 30.424 30.222 0.202 18411 9941 1 12 . 1 1 111 111 ARG H H 111 8.655 8.655 8.997 -0.342 18411 9942 1 12 . 1 1 112 112 ASP N N 112 113.338 113.338 116.525 -3.187 18411 9943 1 12 . 1 1 112 112 ASP HA H 112 4.662 4.662 4.639 0.023 18411 9944 1 12 . 1 1 112 112 ASP C C 112 176.387 176.387 176.676 -0.289 18411 9945 1 12 . 1 1 112 112 ASP CA C 112 52.833 52.833 54.967 -2.134 18411 9946 1 12 . 1 1 112 112 ASP CB C 112 40.135 40.135 40.102 0.033 18411 9947 1 12 . 1 1 112 112 ASP H H 112 8.205 8.205 8.584 -0.379 18411 9948 1 12 . 1 1 113 113 ALA N N 113 122.885 122.885 123.134 -0.249 18411 9949 1 12 . 1 1 113 113 ALA HA H 113 4.347 4.347 4.352 -0.005 18411 9950 1 12 . 1 1 113 113 ALA C C 113 177.740 177.740 176.731 1.009 18411 9951 1 12 . 1 1 113 113 ALA CA C 113 51.983 51.983 51.460 0.523 18411 9952 1 12 . 1 1 113 113 ALA CB C 113 20.558 20.558 17.541 3.017 18411 9953 1 12 . 1 1 113 113 ALA H H 113 7.919 7.919 7.542 0.377 18411 9954 1 12 . 1 1 114 114 GLY CA C 114 45.480 45.480 44.702 0.778 18411 9955 1 12 . 1 1 115 115 ILE N N 115 122.165 122.165 122.215 -0.050 18411 9956 1 12 . 1 1 115 115 ILE HA H 115 4.119 4.119 4.050 0.069 18411 9957 1 12 . 1 1 115 115 ILE CA C 115 60.788 60.788 61.517 -0.729 18411 9958 1 12 . 1 1 115 115 ILE CB C 115 39.651 39.651 38.399 1.252 18411 9959 1 12 . 1 1 115 115 ILE H H 115 8.253 8.253 8.370 -0.117 18411 9960 1 12 . 1 1 116 116 THR N N 116 110.198 110.198 118.599 -8.401 18411 9961 1 12 . 1 1 116 116 THR HA H 116 4.101 4.101 4.607 -0.506 18411 9962 1 12 . 1 1 116 116 THR CA C 116 62.947 62.947 63.344 -0.397 18411 9963 1 12 . 1 1 116 116 THR CB C 116 69.031 69.031 68.905 0.126 18411 9964 1 12 . 1 1 116 116 THR H H 116 7.033 7.033 7.779 -0.746 18411 9965 1 12 . 1 1 117 117 ARG N N 117 130.624 130.624 126.130 4.494 18411 9966 1 12 . 1 1 117 117 ARG HA H 117 4.997 4.997 4.734 0.263 18411 9967 1 12 . 1 1 117 117 ARG C C 117 173.296 173.296 174.041 -0.745 18411 9968 1 12 . 1 1 117 117 ARG CA C 117 56.468 56.468 55.176 1.292 18411 9969 1 12 . 1 1 117 117 ARG CB C 117 31.949 31.949 34.793 -2.844 18411 9970 1 12 . 1 1 117 117 ARG H H 117 8.250 8.250 8.451 -0.201 18411 9971 1 12 . 1 1 118 118 ASN N N 118 118.226 118.226 123.894 -5.668 18411 9972 1 12 . 1 1 118 118 ASN HA H 118 6.127 6.127 5.459 0.668 18411 9973 1 12 . 1 1 118 118 ASN C C 118 173.805 173.805 174.047 -0.242 18411 9974 1 12 . 1 1 118 118 ASN CA C 118 51.759 51.759 52.547 -0.788 18411 9975 1 12 . 1 1 118 118 ASN CB C 118 41.892 41.892 40.306 1.586 18411 9976 1 12 . 1 1 118 118 ASN H H 118 7.730 7.730 8.872 -1.142 18411 9977 1 12 . 1 1 119 119 VAL N N 119 120.477 120.477 124.578 -4.101 18411 9978 1 12 . 1 1 119 119 VAL HA H 119 4.766 4.766 4.788 -0.022 18411 9979 1 12 . 1 1 119 119 VAL C C 119 173.809 173.809 174.007 -0.198 18411 9980 1 12 . 1 1 119 119 VAL CA C 119 60.808 60.808 61.582 -0.774 18411 9981 1 12 . 1 1 119 119 VAL CB C 119 35.887 35.887 34.106 1.781 18411 9982 1 12 . 1 1 119 119 VAL H H 119 9.269 9.269 9.308 -0.039 18411 9983 1 12 . 1 1 120 120 LEU N N 120 128.017 128.017 130.004 -1.987 18411 9984 1 12 . 1 1 120 120 LEU HA H 120 5.350 5.350 5.089 0.261 18411 9985 1 12 . 1 1 120 120 LEU C C 120 174.606 174.606 174.806 -0.200 18411 9986 1 12 . 1 1 120 120 LEU CA C 120 53.563 53.563 53.663 -0.100 18411 9987 1 12 . 1 1 120 120 LEU CB C 120 46.211 46.211 44.921 1.290 18411 9988 1 12 . 1 1 120 120 LEU H H 120 8.829 8.829 8.845 -0.016 18411 9989 1 12 . 1 1 121 121 ILE N N 121 131.629 131.629 126.977 4.652 18411 9990 1 12 . 1 1 121 121 ILE HA H 121 4.799 4.799 4.976 -0.177 18411 9991 1 12 . 1 1 121 121 ILE C C 121 174.731 174.731 176.020 -1.289 18411 9992 1 12 . 1 1 121 121 ILE CA C 121 60.450 60.450 59.768 0.682 18411 9993 1 12 . 1 1 121 121 ILE CB C 121 41.651 41.651 40.368 1.283 18411 9994 1 12 . 1 1 121 121 ILE H H 121 9.659 9.659 9.229 0.430 18411 9995 1 12 . 1 1 122 122 ASP N N 122 124.197 124.197 126.529 -2.332 18411 9996 1 12 . 1 1 122 122 ASP HA H 122 4.513 4.513 4.763 -0.251 18411 9997 1 12 . 1 1 122 122 ASP C C 122 177.586 177.586 176.640 0.946 18411 9998 1 12 . 1 1 122 122 ASP CA C 122 52.442 52.442 52.882 -0.440 18411 9999 1 12 . 1 1 122 122 ASP CB C 122 41.476 41.476 42.383 -0.907 18411 10000 1 12 . 1 1 122 122 ASP H H 122 9.128 9.128 8.992 0.136 18411 10001 1 12 . 1 1 123 123 ARG N N 123 113.396 113.396 115.494 -2.098 18411 10002 1 12 . 1 1 123 123 ARG HA H 123 4.186 4.186 4.432 -0.246 18411 10003 1 12 . 1 1 123 123 ARG C C 123 178.717 178.717 176.004 2.713 18411 10004 1 12 . 1 1 123 123 ARG CA C 123 58.243 58.243 57.092 1.151 18411 10005 1 12 . 1 1 123 123 ARG CB C 123 30.783 30.783 28.893 1.890 18411 10006 1 12 . 1 1 123 123 ARG H H 123 7.870 7.870 8.612 -0.742 18411 10007 1 12 . 1 1 124 124 GLU N N 124 117.427 117.427 119.197 -1.770 18411 10008 1 12 . 1 1 124 124 GLU HA H 124 4.310 4.310 4.343 -0.033 18411 10009 1 12 . 1 1 124 124 GLU C C 124 176.034 176.034 176.338 -0.304 18411 10010 1 12 . 1 1 124 124 GLU CA C 124 56.164 56.164 56.998 -0.834 18411 10011 1 12 . 1 1 124 124 GLU CB C 124 30.541 30.541 31.872 -1.331 18411 10012 1 12 . 1 1 124 124 GLU H H 124 8.155 8.155 7.811 0.344 18411 10013 1 12 . 1 1 125 125 GLY N N 125 105.681 105.681 107.619 -1.938 18411 10014 1 12 . 1 1 125 125 GLY C C 125 174.204 174.204 173.055 1.149 18411 10015 1 12 . 1 1 125 125 GLY CA C 125 45.160 45.160 44.898 0.262 18411 10016 1 12 . 1 1 125 125 GLY H H 125 8.094 8.094 8.283 -0.189 18411 10017 1 12 . 1 1 126 126 LYS N N 126 122.326 122.326 121.062 1.264 18411 10018 1 12 . 1 1 126 126 LYS HA H 126 4.647 4.647 5.301 -0.654 18411 10019 1 12 . 1 1 126 126 LYS C C 126 176.390 176.390 175.913 0.477 18411 10020 1 12 . 1 1 126 126 LYS CA C 126 55.393 55.393 54.406 0.987 18411 10021 1 12 . 1 1 126 126 LYS CB C 126 33.569 33.569 35.095 -1.526 18411 10022 1 12 . 1 1 126 126 LYS H H 126 8.502 8.502 9.024 -0.522 18411 10023 1 12 . 1 1 127 127 ILE N N 127 121.946 121.946 125.882 -3.936 18411 10024 1 12 . 1 1 127 127 ILE HA H 127 4.048 4.048 4.243 -0.195 18411 10025 1 12 . 1 1 127 127 ILE C C 127 177.735 177.735 176.841 0.894 18411 10026 1 12 . 1 1 127 127 ILE CA C 127 63.200 63.200 62.633 0.567 18411 10027 1 12 . 1 1 127 127 ILE CB C 127 38.106 38.106 36.664 1.442 18411 10028 1 12 . 1 1 127 127 ILE H H 127 8.739 8.739 9.147 -0.408 18411 10029 1 12 . 1 1 128 128 VAL N N 128 122.026 122.026 123.466 -1.440 18411 10030 1 12 . 1 1 128 128 VAL HA H 128 4.695 4.695 4.245 0.450 18411 10031 1 12 . 1 1 128 128 VAL C C 128 175.968 175.968 175.459 0.509 18411 10032 1 12 . 1 1 128 128 VAL CA C 128 61.535 61.535 62.245 -0.710 18411 10033 1 12 . 1 1 128 128 VAL CB C 128 33.996 33.996 32.582 1.414 18411 10034 1 12 . 1 1 128 128 VAL H H 128 9.397 9.397 8.618 0.779 18411 10035 1 12 . 1 1 129 129 LYS N N 129 121.635 121.635 121.059 0.576 18411 10036 1 12 . 1 1 129 129 LYS HA H 129 4.359 4.359 4.581 -0.222 18411 10037 1 12 . 1 1 129 129 LYS C C 129 172.896 172.896 174.267 -1.371 18411 10038 1 12 . 1 1 129 129 LYS CA C 129 57.322 57.322 54.873 2.449 18411 10039 1 12 . 1 1 129 129 LYS CB C 129 36.802 36.802 33.933 2.869 18411 10040 1 12 . 1 1 129 129 LYS H H 129 7.708 7.708 7.743 -0.035 18411 10041 1 12 . 1 1 130 130 LEU N N 130 126.219 126.219 129.489 -3.270 18411 10042 1 12 . 1 1 130 130 LEU HA H 130 5.140 5.140 4.837 0.303 18411 10043 1 12 . 1 1 130 130 LEU C C 130 176.956 176.956 176.495 0.461 18411 10044 1 12 . 1 1 130 130 LEU CA C 130 53.572 53.572 54.188 -0.617 18411 10045 1 12 . 1 1 130 130 LEU CB C 130 44.700 44.700 42.093 2.607 18411 10046 1 12 . 1 1 130 130 LEU H H 130 8.301 8.301 8.932 -0.631 18411 10047 1 12 . 1 1 131 131 THR N N 131 113.484 113.484 121.549 -8.065 18411 10048 1 12 . 1 1 131 131 THR HA H 131 5.136 5.136 4.711 0.425 18411 10049 1 12 . 1 1 131 131 THR C C 131 175.492 175.492 173.407 2.085 18411 10050 1 12 . 1 1 131 131 THR CA C 131 61.033 61.033 61.703 -0.670 18411 10051 1 12 . 1 1 131 131 THR CB C 131 70.922 70.922 70.817 0.104 18411 10052 1 12 . 1 1 131 131 THR H H 131 9.298 9.298 9.077 0.221 18411 10053 1 12 . 1 1 132 132 ARG HA H 132 5.150 5.150 4.685 0.465 18411 10054 1 12 . 1 1 132 132 ARG CA C 132 55.585 55.585 55.159 0.426 18411 10055 1 12 . 1 1 132 132 ARG CB C 132 33.035 33.035 29.256 3.779 18411 10056 1 12 . 1 1 133 133 LEU N N 133 118.967 118.967 119.619 -0.652 18411 10057 1 12 . 1 1 133 133 LEU HA H 133 4.302 4.302 3.951 0.351 18411 10058 1 12 . 1 1 133 133 LEU CA C 133 56.200 56.200 56.227 -0.027 18411 10059 1 12 . 1 1 133 133 LEU CB C 133 41.616 41.616 40.926 0.690 18411 10060 1 12 . 1 1 133 133 LEU H H 133 8.167 8.167 8.242 -0.075 18411 10061 1 12 . 1 1 134 134 TYR N N 134 124.816 124.816 122.874 1.942 18411 10062 1 12 . 1 1 134 134 TYR HA H 134 4.963 4.963 4.458 0.505 18411 10063 1 12 . 1 1 134 134 TYR CA C 134 57.154 57.154 57.254 -0.100 18411 10064 1 12 . 1 1 134 134 TYR CB C 134 38.948 38.948 37.414 1.534 18411 10065 1 12 . 1 1 134 134 TYR H H 134 7.805 7.805 8.203 -0.398 18411 10066 1 12 . 1 1 135 135 ASN HA H 135 4.415 4.415 4.587 -0.172 18411 10067 1 12 . 1 1 135 135 ASN CA C 135 51.995 51.995 52.427 -0.432 18411 10068 1 12 . 1 1 135 135 ASN CB C 135 40.521 40.521 39.773 0.748 18411 10069 1 12 . 1 1 136 136 GLU HA H 136 3.694 3.694 3.223 0.471 18411 10070 1 12 . 1 1 136 136 GLU C C 136 178.797 178.797 178.294 0.503 18411 10071 1 12 . 1 1 136 136 GLU CA C 136 61.052 61.052 60.264 0.788 18411 10072 1 12 . 1 1 136 136 GLU CB C 136 29.353 29.353 29.306 0.047 18411 10073 1 12 . 1 1 137 137 GLU N N 137 120.717 120.717 118.423 2.294 18411 10074 1 12 . 1 1 137 137 GLU HA H 137 4.176 4.176 4.084 0.092 18411 10075 1 12 . 1 1 137 137 GLU C C 137 179.707 179.707 179.101 0.606 18411 10076 1 12 . 1 1 137 137 GLU CA C 137 59.800 59.800 59.161 0.638 18411 10077 1 12 . 1 1 137 137 GLU CB C 137 29.284 29.284 28.879 0.405 18411 10078 1 12 . 1 1 137 137 GLU H H 137 8.364 8.364 8.218 0.146 18411 10079 1 12 . 1 1 138 138 GLU N N 138 122.448 122.448 121.140 1.308 18411 10080 1 12 . 1 1 138 138 GLU HA H 138 4.190 4.190 4.109 0.081 18411 10081 1 12 . 1 1 138 138 GLU C C 138 179.927 179.927 178.666 1.261 18411 10082 1 12 . 1 1 138 138 GLU CA C 138 59.129 59.129 58.971 0.158 18411 10083 1 12 . 1 1 138 138 GLU CB C 138 30.064 30.064 29.265 0.799 18411 10084 1 12 . 1 1 138 138 GLU H H 138 8.448 8.448 8.579 -0.131 18411 10085 1 12 . 1 1 139 139 PHE N N 139 122.454 122.454 120.722 1.732 18411 10086 1 12 . 1 1 139 139 PHE HA H 139 4.171 4.171 4.076 0.095 18411 10087 1 12 . 1 1 139 139 PHE C C 139 177.370 177.370 176.981 0.389 18411 10088 1 12 . 1 1 139 139 PHE CA C 139 62.690 62.690 61.593 1.097 18411 10089 1 12 . 1 1 139 139 PHE CB C 139 39.579 39.579 38.911 0.668 18411 10090 1 12 . 1 1 139 139 PHE H H 139 8.895 8.895 8.716 0.179 18411 10091 1 12 . 1 1 140 140 ALA N N 140 120.155 120.155 121.633 -1.478 18411 10092 1 12 . 1 1 140 140 ALA HA H 140 4.100 4.100 3.866 0.234 18411 10093 1 12 . 1 1 140 140 ALA C C 140 181.270 181.270 179.563 1.707 18411 10094 1 12 . 1 1 140 140 ALA CA C 140 55.203 55.203 55.509 -0.306 18411 10095 1 12 . 1 1 140 140 ALA CB C 140 17.716 17.716 17.906 -0.190 18411 10096 1 12 . 1 1 140 140 ALA H H 140 8.240 8.240 8.141 0.099 18411 10097 1 12 . 1 1 141 141 SER N N 141 114.095 114.095 115.395 -1.300 18411 10098 1 12 . 1 1 141 141 SER HA H 141 4.267 4.267 4.112 0.155 18411 10099 1 12 . 1 1 141 141 SER C C 141 176.895 176.895 176.613 0.282 18411 10100 1 12 . 1 1 141 141 SER CA C 141 61.291 61.291 61.315 -0.024 18411 10101 1 12 . 1 1 141 141 SER CB C 141 62.690 62.690 63.117 -0.427 18411 10102 1 12 . 1 1 141 141 SER H H 141 7.835 7.835 7.816 0.019 18411 10103 1 12 . 1 1 142 142 LEU N N 142 126.764 126.764 123.749 3.015 18411 10104 1 12 . 1 1 142 142 LEU HA H 142 3.908 3.908 4.002 -0.094 18411 10105 1 12 . 1 1 142 142 LEU C C 142 176.876 176.876 177.991 -1.115 18411 10106 1 12 . 1 1 142 142 LEU CA C 142 58.757 58.757 57.962 0.794 18411 10107 1 12 . 1 1 142 142 LEU CB C 142 41.653 41.653 41.334 0.319 18411 10108 1 12 . 1 1 142 142 LEU H H 142 7.833 7.833 8.100 -0.267 18411 10109 1 12 . 1 1 143 143 VAL N N 143 119.066 119.066 118.717 0.349 18411 10110 1 12 . 1 1 143 143 VAL HA H 143 3.174 3.174 3.446 -0.272 18411 10111 1 12 . 1 1 143 143 VAL C C 143 178.479 178.479 178.097 0.382 18411 10112 1 12 . 1 1 143 143 VAL CA C 143 66.864 66.864 66.660 0.204 18411 10113 1 12 . 1 1 143 143 VAL CB C 143 32.350 32.350 30.217 2.133 18411 10114 1 12 . 1 1 143 143 VAL H H 143 8.010 8.010 8.314 -0.304 18411 10115 1 12 . 1 1 144 144 GLN N N 144 118.170 118.170 118.835 -0.665 18411 10116 1 12 . 1 1 144 144 GLN HA H 144 4.028 4.028 3.905 0.123 18411 10117 1 12 . 1 1 144 144 GLN C C 144 178.335 178.335 178.316 0.019 18411 10118 1 12 . 1 1 144 144 GLN CA C 144 59.591 59.591 59.411 0.180 18411 10119 1 12 . 1 1 144 144 GLN CB C 144 32.906 32.906 28.289 4.617 18411 10120 1 12 . 1 1 144 144 GLN H H 144 7.935 7.935 7.730 0.205 18411 10121 1 12 . 1 1 145 145 GLN N N 145 119.839 119.839 119.666 0.173 18411 10122 1 12 . 1 1 145 145 GLN HA H 145 4.029 4.029 4.046 -0.017 18411 10123 1 12 . 1 1 145 145 GLN C C 145 178.686 178.686 178.743 -0.057 18411 10124 1 12 . 1 1 145 145 GLN CA C 145 59.270 59.270 58.917 0.353 18411 10125 1 12 . 1 1 145 145 GLN CB C 145 27.587 27.587 28.600 -1.013 18411 10126 1 12 . 1 1 145 145 GLN H H 145 7.986 7.986 8.193 -0.207 18411 10127 1 12 . 1 1 146 146 ILE N N 146 119.900 119.900 120.513 -0.613 18411 10128 1 12 . 1 1 146 146 ILE HA H 146 3.345 3.345 3.533 -0.188 18411 10129 1 12 . 1 1 146 146 ILE C C 146 177.393 177.393 177.994 -0.601 18411 10130 1 12 . 1 1 146 146 ILE CA C 146 66.902 66.902 65.388 1.514 18411 10131 1 12 . 1 1 146 146 ILE CB C 146 38.281 38.281 37.599 0.681 18411 10132 1 12 . 1 1 146 146 ILE H H 146 8.171 8.171 8.537 -0.366 18411 10133 1 12 . 1 1 147 147 ASN N N 147 116.163 116.163 117.719 -1.556 18411 10134 1 12 . 1 1 147 147 ASN HA H 147 4.196 4.196 4.263 -0.067 18411 10135 1 12 . 1 1 147 147 ASN C C 147 179.035 179.035 177.699 1.336 18411 10136 1 12 . 1 1 147 147 ASN CA C 147 56.348 56.348 56.207 0.141 18411 10137 1 12 . 1 1 147 147 ASN CB C 147 38.062 38.062 37.860 0.202 18411 10138 1 12 . 1 1 147 147 ASN H H 147 7.896 7.896 8.251 -0.355 18411 10139 1 12 . 1 1 148 148 GLU N N 148 118.645 118.645 119.608 -0.963 18411 10140 1 12 . 1 1 148 148 GLU HA H 148 3.970 3.970 3.999 -0.029 18411 10141 1 12 . 1 1 148 148 GLU C C 148 179.964 179.964 177.927 2.037 18411 10142 1 12 . 1 1 148 148 GLU CA C 148 59.340 59.340 58.302 1.038 18411 10143 1 12 . 1 1 148 148 GLU CB C 148 29.572 29.572 29.125 0.447 18411 10144 1 12 . 1 1 148 148 GLU H H 148 8.311 8.311 8.038 0.273 18411 10145 1 12 . 1 1 149 149 MET N N 149 119.218 119.218 117.702 1.516 18411 10146 1 12 . 1 1 149 149 MET HA H 149 4.140 4.140 4.338 -0.198 18411 10147 1 12 . 1 1 149 149 MET C C 149 179.419 179.419 178.047 1.372 18411 10148 1 12 . 1 1 149 149 MET CA C 149 59.040 59.040 57.259 1.781 18411 10149 1 12 . 1 1 149 149 MET CB C 149 35.293 35.293 32.390 2.903 18411 10150 1 12 . 1 1 149 149 MET H H 149 8.527 8.527 7.831 0.696 18411 10151 1 12 . 1 1 150 150 LEU N N 150 118.078 118.078 117.652 0.426 18411 10152 1 12 . 1 1 150 150 LEU HA H 150 4.245 4.245 4.134 0.111 18411 10153 1 12 . 1 1 150 150 LEU C C 150 178.141 178.141 179.151 -1.010 18411 10154 1 12 . 1 1 150 150 LEU CA C 150 55.824 55.824 56.788 -0.964 18411 10155 1 12 . 1 1 150 150 LEU CB C 150 41.533 41.533 41.505 0.028 18411 10156 1 12 . 1 1 150 150 LEU H H 150 7.917 7.917 7.806 0.111 18411 10157 1 12 . 1 1 151 151 LYS N N 151 120.096 120.096 116.450 3.646 18411 10158 1 12 . 1 1 151 151 LYS HA H 151 4.181 4.181 4.187 -0.006 18411 10159 1 12 . 1 1 151 151 LYS C C 151 177.029 177.029 176.789 0.240 18411 10160 1 12 . 1 1 151 151 LYS CA C 151 57.490 57.490 55.789 1.701 18411 10161 1 12 . 1 1 151 151 LYS CB C 151 32.921 32.921 32.879 0.042 18411 10162 1 12 . 1 1 151 151 LYS H H 151 7.466 7.466 8.004 -0.538 18411 10163 1 12 . 1 1 152 152 GLU N N 152 120.188 120.188 118.405 1.783 18411 10164 1 12 . 1 1 152 152 GLU HA H 152 4.264 4.264 3.954 0.310 18411 10165 1 12 . 1 1 152 152 GLU C C 152 177.259 177.259 176.232 1.027 18411 10166 1 12 . 1 1 152 152 GLU CA C 152 57.070 57.070 57.115 -0.045 18411 10167 1 12 . 1 1 152 152 GLU CB C 152 30.385 30.385 27.822 2.563 18411 10168 1 12 . 1 1 152 152 GLU H H 152 7.820 7.820 7.950 -0.130 18411 10169 1 12 . 1 1 153 153 GLY N N 153 109.046 109.046 108.631 0.415 18411 10170 1 12 . 1 1 153 153 GLY C C 153 174.204 174.204 174.457 -0.253 18411 10171 1 12 . 1 1 153 153 GLY CA C 153 45.327 45.327 44.273 1.054 18411 10172 1 12 . 1 1 153 153 GLY H H 153 8.278 8.278 7.889 0.389 18411 10173 1 12 . 1 1 158 158 HIS HA H 158 4.606 4.606 4.463 0.143 18411 10174 1 12 . 1 1 158 158 HIS C C 158 174.423 174.423 174.493 -0.070 18411 10175 1 12 . 1 1 158 158 HIS CA C 158 56.235 56.235 56.650 -0.415 18411 10176 1 12 . 1 1 158 158 HIS CB C 158 31.028 31.028 30.246 0.782 18411 10177 1 13 . 1 1 3 3 LEU HA H 3 3.930 3.930 4.676 -0.746 18411 10178 1 13 . 1 1 3 3 LEU CA C 3 58.669 58.669 54.680 3.989 18411 10179 1 13 . 1 1 3 3 LEU CB C 3 42.010 42.010 42.707 -0.697 18411 10180 1 13 . 1 1 4 4 GLY C C 4 173.604 173.604 172.803 0.801 18411 10181 1 13 . 1 1 4 4 GLY CA C 4 46.072 46.072 44.880 1.192 18411 10182 1 13 . 1 1 5 5 TYR N N 5 116.195 116.195 120.243 -4.048 18411 10183 1 13 . 1 1 5 5 TYR HA H 5 4.769 4.769 4.709 0.060 18411 10184 1 13 . 1 1 5 5 TYR C C 5 177.898 177.898 176.857 1.041 18411 10185 1 13 . 1 1 5 5 TYR CA C 5 60.102 60.102 58.114 1.988 18411 10186 1 13 . 1 1 5 5 TYR CB C 5 39.615 39.615 39.491 0.124 18411 10187 1 13 . 1 1 5 5 TYR H H 5 7.849 7.849 8.323 -0.474 18411 10188 1 13 . 1 1 6 6 ILE N N 6 115.338 115.338 120.496 -5.158 18411 10189 1 13 . 1 1 6 6 ILE HA H 6 4.514 4.514 4.393 0.121 18411 10190 1 13 . 1 1 6 6 ILE C C 6 175.977 175.977 175.662 0.315 18411 10191 1 13 . 1 1 6 6 ILE CA C 6 61.623 61.623 61.859 -0.236 18411 10192 1 13 . 1 1 6 6 ILE CB C 6 38.270 38.270 38.662 -0.392 18411 10193 1 13 . 1 1 6 6 ILE H H 6 8.687 8.687 8.334 0.353 18411 10194 1 13 . 1 1 7 7 VAL N N 7 113.122 113.122 117.234 -4.112 18411 10195 1 13 . 1 1 7 7 VAL HA H 7 4.730 4.730 4.292 0.438 18411 10196 1 13 . 1 1 7 7 VAL C C 7 174.331 174.331 175.514 -1.183 18411 10197 1 13 . 1 1 7 7 VAL CA C 7 58.867 58.867 60.450 -1.583 18411 10198 1 13 . 1 1 7 7 VAL CB C 7 34.475 34.475 33.567 0.908 18411 10199 1 13 . 1 1 7 7 VAL H H 7 6.845 6.845 7.422 -0.577 18411 10200 1 13 . 1 1 8 8 ARG N N 8 117.597 117.597 123.253 -5.656 18411 10201 1 13 . 1 1 8 8 ARG HA H 8 4.539 4.539 4.578 -0.039 18411 10202 1 13 . 1 1 8 8 ARG C C 8 175.618 175.618 176.060 -0.442 18411 10203 1 13 . 1 1 8 8 ARG CA C 8 53.717 53.717 54.062 -0.345 18411 10204 1 13 . 1 1 8 8 ARG CB C 8 34.126 34.126 31.927 2.199 18411 10205 1 13 . 1 1 8 8 ARG H H 8 7.978 7.978 7.983 -0.005 18411 10206 1 13 . 1 1 9 9 ILE N N 9 118.377 118.377 120.946 -2.569 18411 10207 1 13 . 1 1 9 9 ILE HA H 9 3.465 3.465 3.906 -0.441 18411 10208 1 13 . 1 1 9 9 ILE C C 9 177.771 177.771 177.362 0.409 18411 10209 1 13 . 1 1 9 9 ILE CA C 9 62.350 62.350 62.481 -0.131 18411 10210 1 13 . 1 1 9 9 ILE CB C 9 37.049 37.049 37.447 -0.398 18411 10211 1 13 . 1 1 9 9 ILE H H 9 8.085 8.085 8.435 -0.350 18411 10212 1 13 . 1 1 10 10 GLY N N 10 115.204 115.204 116.375 -1.171 18411 10213 1 13 . 1 1 10 10 GLY C C 10 174.235 174.235 173.855 0.380 18411 10214 1 13 . 1 1 10 10 GLY CA C 10 44.763 44.763 44.603 0.160 18411 10215 1 13 . 1 1 10 10 GLY H H 10 9.149 9.149 9.082 0.067 18411 10216 1 13 . 1 1 11 11 GLU N N 11 119.157 119.157 121.008 -1.851 18411 10217 1 13 . 1 1 11 11 GLU HA H 11 4.392 4.392 4.376 0.016 18411 10218 1 13 . 1 1 11 11 GLU C C 11 176.729 176.729 176.276 0.453 18411 10219 1 13 . 1 1 11 11 GLU CA C 11 55.108 55.108 55.707 -0.599 18411 10220 1 13 . 1 1 11 11 GLU CB C 11 31.473 31.473 30.896 0.577 18411 10221 1 13 . 1 1 11 11 GLU H H 11 7.631 7.631 7.636 -0.005 18411 10222 1 13 . 1 1 12 12 MET N N 12 119.646 119.646 123.648 -4.002 18411 10223 1 13 . 1 1 12 12 MET HA H 12 4.593 4.593 4.650 -0.057 18411 10224 1 13 . 1 1 12 12 MET C C 12 177.162 177.162 176.212 0.950 18411 10225 1 13 . 1 1 12 12 MET CA C 12 54.475 54.475 55.488 -1.013 18411 10226 1 13 . 1 1 12 12 MET CB C 12 30.749 30.749 32.798 -2.049 18411 10227 1 13 . 1 1 12 12 MET H H 12 8.566 8.566 8.507 0.059 18411 10228 1 13 . 1 1 13 13 ALA N N 13 129.735 129.735 129.063 0.672 18411 10229 1 13 . 1 1 13 13 ALA HA H 13 4.293 4.293 4.405 -0.112 18411 10230 1 13 . 1 1 13 13 ALA C C 13 175.992 175.992 176.056 -0.064 18411 10231 1 13 . 1 1 13 13 ALA CA C 13 50.676 50.676 50.391 0.285 18411 10232 1 13 . 1 1 13 13 ALA CB C 13 18.125 18.125 18.664 -0.539 18411 10233 1 13 . 1 1 13 13 ALA H H 13 8.626 8.626 8.613 0.013 18411 10234 1 13 . 1 1 14 14 PRO HA H 14 4.253 4.253 4.278 -0.025 18411 10235 1 13 . 1 1 14 14 PRO C C 14 176.066 176.066 175.711 0.355 18411 10236 1 13 . 1 1 14 14 PRO CA C 14 63.478 63.478 62.922 0.556 18411 10237 1 13 . 1 1 14 14 PRO CB C 14 32.987 32.987 31.618 1.369 18411 10238 1 13 . 1 1 15 15 ASP N N 15 123.075 123.075 120.914 2.161 18411 10239 1 13 . 1 1 15 15 ASP HA H 15 4.700 4.700 4.469 0.231 18411 10240 1 13 . 1 1 15 15 ASP C C 15 176.067 176.067 175.482 0.585 18411 10241 1 13 . 1 1 15 15 ASP CA C 15 53.628 53.628 54.953 -1.325 18411 10242 1 13 . 1 1 15 15 ASP CB C 15 41.613 41.613 41.927 -0.314 18411 10243 1 13 . 1 1 15 15 ASP H H 15 8.373 8.373 8.236 0.137 18411 10244 1 13 . 1 1 16 16 PHE N N 16 114.256 114.256 117.883 -3.627 18411 10245 1 13 . 1 1 16 16 PHE HA H 16 4.869 4.869 4.964 -0.095 18411 10246 1 13 . 1 1 16 16 PHE C C 16 173.028 173.028 173.480 -0.452 18411 10247 1 13 . 1 1 16 16 PHE CA C 16 56.721 56.721 55.679 1.042 18411 10248 1 13 . 1 1 16 16 PHE CB C 16 40.560 40.560 42.344 -1.784 18411 10249 1 13 . 1 1 16 16 PHE H H 16 7.950 7.950 7.563 0.387 18411 10250 1 13 . 1 1 17 17 THR N N 17 116.459 116.459 117.218 -0.759 18411 10251 1 13 . 1 1 17 17 THR HA H 17 5.244 5.244 5.543 -0.299 18411 10252 1 13 . 1 1 17 17 THR C C 17 172.722 172.722 173.782 -1.060 18411 10253 1 13 . 1 1 17 17 THR CA C 17 62.061 62.061 61.977 0.084 18411 10254 1 13 . 1 1 17 17 THR CB C 17 70.882 70.882 69.735 1.147 18411 10255 1 13 . 1 1 17 17 THR H H 17 8.596 8.596 8.544 0.052 18411 10256 1 13 . 1 1 18 18 ILE N N 18 128.165 128.165 127.680 0.485 18411 10257 1 13 . 1 1 18 18 ILE HA H 18 4.995 4.995 4.619 0.376 18411 10258 1 13 . 1 1 18 18 ILE C C 18 172.309 172.309 173.925 -1.616 18411 10259 1 13 . 1 1 18 18 ILE CA C 18 59.123 59.123 59.209 -0.086 18411 10260 1 13 . 1 1 18 18 ILE CB C 18 43.984 43.984 42.153 1.831 18411 10261 1 13 . 1 1 18 18 ILE H H 18 9.574 9.574 9.062 0.512 18411 10262 1 13 . 1 1 19 19 THR N N 19 124.473 124.473 124.158 0.315 18411 10263 1 13 . 1 1 19 19 THR HA H 19 4.821 4.821 4.767 0.054 18411 10264 1 13 . 1 1 19 19 THR C C 19 174.104 174.104 174.560 -0.456 18411 10265 1 13 . 1 1 19 19 THR CA C 19 62.316 62.316 63.049 -0.733 18411 10266 1 13 . 1 1 19 19 THR CB C 19 69.287 69.287 68.857 0.430 18411 10267 1 13 . 1 1 19 19 THR H H 19 9.081 9.081 8.803 0.278 18411 10268 1 13 . 1 1 20 20 LEU N N 20 125.167 125.167 126.564 -1.397 18411 10269 1 13 . 1 1 20 20 LEU HA H 20 5.082 5.082 4.878 0.204 18411 10270 1 13 . 1 1 20 20 LEU C C 20 181.023 181.023 179.408 1.615 18411 10271 1 13 . 1 1 20 20 LEU CA C 20 54.191 54.191 54.492 -0.301 18411 10272 1 13 . 1 1 20 20 LEU CB C 20 42.219 42.219 42.736 -0.517 18411 10273 1 13 . 1 1 20 20 LEU H H 20 9.227 9.227 8.917 0.310 18411 10274 1 13 . 1 1 21 21 THR N N 21 109.887 109.887 113.892 -4.005 18411 10275 1 13 . 1 1 21 21 THR HA H 21 3.831 3.831 4.032 -0.201 18411 10276 1 13 . 1 1 21 21 THR C C 21 174.716 174.716 175.042 -0.326 18411 10277 1 13 . 1 1 21 21 THR CA C 21 64.992 64.992 65.633 -0.641 18411 10278 1 13 . 1 1 21 21 THR CB C 21 68.529 68.529 68.693 -0.164 18411 10279 1 13 . 1 1 21 21 THR H H 21 8.603 8.603 8.629 -0.026 18411 10280 1 13 . 1 1 22 22 ASP N N 22 117.311 117.311 117.696 -0.385 18411 10281 1 13 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.632 -0.038 18411 10282 1 13 . 1 1 22 22 ASP C C 22 177.771 177.771 176.652 1.119 18411 10283 1 13 . 1 1 22 22 ASP CA C 22 53.173 53.173 53.099 0.074 18411 10284 1 13 . 1 1 22 22 ASP CB C 22 40.449 40.449 39.351 1.098 18411 10285 1 13 . 1 1 22 22 ASP H H 22 7.530 7.530 7.906 -0.376 18411 10286 1 13 . 1 1 23 23 GLY N N 23 108.847 108.847 109.188 -0.341 18411 10287 1 13 . 1 1 23 23 GLY C C 23 174.806 174.806 173.945 0.861 18411 10288 1 13 . 1 1 23 23 GLY CA C 23 45.028 45.028 45.552 -0.524 18411 10289 1 13 . 1 1 23 23 GLY H H 23 8.203 8.203 7.939 0.264 18411 10290 1 13 . 1 1 24 24 LYS N N 24 122.092 122.092 120.574 1.518 18411 10291 1 13 . 1 1 24 24 LYS HA H 24 4.267 4.267 4.525 -0.258 18411 10292 1 13 . 1 1 24 24 LYS C C 24 175.350 175.350 175.868 -0.518 18411 10293 1 13 . 1 1 24 24 LYS CA C 24 57.060 57.060 54.165 2.895 18411 10294 1 13 . 1 1 24 24 LYS CB C 24 33.271 33.271 33.166 0.105 18411 10295 1 13 . 1 1 24 24 LYS H H 24 7.881 7.881 8.001 -0.120 18411 10296 1 13 . 1 1 25 25 GLN N N 25 119.585 119.585 124.769 -5.184 18411 10297 1 13 . 1 1 25 25 GLN HA H 25 5.561 5.561 4.817 0.744 18411 10298 1 13 . 1 1 25 25 GLN C C 25 176.631 176.631 175.933 0.698 18411 10299 1 13 . 1 1 25 25 GLN CA C 25 54.572 54.572 55.211 -0.639 18411 10300 1 13 . 1 1 25 25 GLN CB C 25 31.621 31.621 28.584 3.037 18411 10301 1 13 . 1 1 25 25 GLN H H 25 8.365 8.365 8.747 -0.382 18411 10302 1 13 . 1 1 26 26 VAL N N 26 123.115 123.115 121.101 2.014 18411 10303 1 13 . 1 1 26 26 VAL HA H 26 4.466 4.466 4.667 -0.201 18411 10304 1 13 . 1 1 26 26 VAL C C 26 174.390 174.390 174.475 -0.085 18411 10305 1 13 . 1 1 26 26 VAL CA C 26 61.142 61.142 59.778 1.364 18411 10306 1 13 . 1 1 26 26 VAL CB C 26 35.962 35.962 34.202 1.760 18411 10307 1 13 . 1 1 26 26 VAL H H 26 9.069 9.069 8.813 0.256 18411 10308 1 13 . 1 1 27 27 THR N N 27 122.509 122.509 119.485 3.024 18411 10309 1 13 . 1 1 27 27 THR HA H 27 5.437 5.437 5.180 0.257 18411 10310 1 13 . 1 1 27 27 THR C C 27 176.330 176.330 175.312 1.018 18411 10311 1 13 . 1 1 27 27 THR CA C 27 60.068 60.068 59.840 0.228 18411 10312 1 13 . 1 1 27 27 THR CB C 27 70.655 70.655 71.615 -0.960 18411 10313 1 13 . 1 1 27 27 THR H H 27 8.256 8.256 8.194 0.062 18411 10314 1 13 . 1 1 28 28 LEU N N 28 131.816 131.816 124.164 7.652 18411 10315 1 13 . 1 1 28 28 LEU HA H 28 3.607 3.607 3.697 -0.090 18411 10316 1 13 . 1 1 28 28 LEU C C 28 180.093 180.093 178.290 1.803 18411 10317 1 13 . 1 1 28 28 LEU CA C 28 59.264 59.264 57.860 1.404 18411 10318 1 13 . 1 1 28 28 LEU CB C 28 39.396 39.396 41.574 -2.178 18411 10319 1 13 . 1 1 28 28 LEU H H 28 8.311 8.311 8.335 -0.024 18411 10320 1 13 . 1 1 29 29 SER N N 29 114.727 114.727 113.857 0.870 18411 10321 1 13 . 1 1 29 29 SER HA H 29 4.003 4.003 4.148 -0.145 18411 10322 1 13 . 1 1 29 29 SER C C 29 177.762 177.762 177.151 0.611 18411 10323 1 13 . 1 1 29 29 SER CA C 29 60.896 60.896 61.280 -0.384 18411 10324 1 13 . 1 1 29 29 SER CB C 29 61.091 61.091 62.482 -1.391 18411 10325 1 13 . 1 1 29 29 SER H H 29 9.491 9.491 8.234 1.257 18411 10326 1 13 . 1 1 30 30 SER N N 30 119.100 119.100 117.593 1.507 18411 10327 1 13 . 1 1 30 30 SER HA H 30 4.476 4.476 4.297 0.179 18411 10328 1 13 . 1 1 30 30 SER C C 30 175.104 175.104 175.242 -0.138 18411 10329 1 13 . 1 1 30 30 SER CA C 30 60.661 60.661 60.788 -0.127 18411 10330 1 13 . 1 1 30 30 SER CB C 30 63.174 63.174 63.337 -0.163 18411 10331 1 13 . 1 1 30 30 SER H H 30 7.878 7.878 7.734 0.144 18411 10332 1 13 . 1 1 31 31 LEU N N 31 121.415 121.415 120.255 1.160 18411 10333 1 13 . 1 1 31 31 LEU HA H 31 4.258 4.258 4.365 -0.107 18411 10334 1 13 . 1 1 31 31 LEU C C 31 175.710 175.710 176.392 -0.682 18411 10335 1 13 . 1 1 31 31 LEU CA C 31 53.804 53.804 54.010 -0.206 18411 10336 1 13 . 1 1 31 31 LEU CB C 31 41.285 41.285 42.071 -0.786 18411 10337 1 13 . 1 1 31 31 LEU H H 31 8.026 8.026 7.464 0.562 18411 10338 1 13 . 1 1 32 32 ARG N N 32 119.061 119.061 119.159 -0.098 18411 10339 1 13 . 1 1 32 32 ARG HA H 32 4.411 4.411 4.062 0.349 18411 10340 1 13 . 1 1 32 32 ARG C C 32 177.585 177.585 177.301 0.284 18411 10341 1 13 . 1 1 32 32 ARG CA C 32 57.590 57.590 56.894 0.696 18411 10342 1 13 . 1 1 32 32 ARG CB C 32 29.497 29.497 29.933 -0.436 18411 10343 1 13 . 1 1 32 32 ARG H H 32 6.788 6.788 7.481 -0.694 18411 10344 1 13 . 1 1 33 33 GLY N N 33 114.033 114.033 111.830 2.203 18411 10345 1 13 . 1 1 33 33 GLY C C 33 173.456 173.456 174.215 -0.759 18411 10346 1 13 . 1 1 33 33 GLY CA C 33 44.684 44.684 45.426 -0.742 18411 10347 1 13 . 1 1 33 33 GLY H H 33 9.120 9.120 8.453 0.667 18411 10348 1 13 . 1 1 34 34 LYS N N 34 120.270 120.270 120.508 -0.238 18411 10349 1 13 . 1 1 34 34 LYS HA H 34 4.606 4.606 5.408 -0.802 18411 10350 1 13 . 1 1 34 34 LYS C C 34 175.350 175.350 176.200 -0.850 18411 10351 1 13 . 1 1 34 34 LYS CA C 34 54.786 54.786 53.682 1.104 18411 10352 1 13 . 1 1 34 34 LYS CB C 34 34.125 34.125 35.201 -1.076 18411 10353 1 13 . 1 1 34 34 LYS H H 34 8.146 8.146 7.366 0.780 18411 10354 1 13 . 1 1 35 35 VAL N N 35 122.059 122.059 123.153 -1.094 18411 10355 1 13 . 1 1 35 35 VAL HA H 35 4.020 4.020 4.413 -0.393 18411 10356 1 13 . 1 1 35 35 VAL C C 35 174.699 174.699 174.439 0.260 18411 10357 1 13 . 1 1 35 35 VAL CA C 35 63.108 63.108 61.577 1.531 18411 10358 1 13 . 1 1 35 35 VAL CB C 35 33.022 33.022 32.716 0.306 18411 10359 1 13 . 1 1 35 35 VAL H H 35 8.757 8.757 8.573 0.184 18411 10360 1 13 . 1 1 36 36 VAL N N 36 125.815 125.815 129.849 -4.034 18411 10361 1 13 . 1 1 36 36 VAL HA H 36 4.856 4.856 4.694 0.162 18411 10362 1 13 . 1 1 36 36 VAL C C 36 174.622 174.622 174.224 0.398 18411 10363 1 13 . 1 1 36 36 VAL CA C 36 60.078 60.078 60.199 -0.121 18411 10364 1 13 . 1 1 36 36 VAL CB C 36 35.605 35.605 33.654 1.950 18411 10365 1 13 . 1 1 36 36 VAL H H 36 8.485 8.485 8.921 -0.436 18411 10366 1 13 . 1 1 37 37 MET N N 37 126.478 126.478 127.638 -1.160 18411 10367 1 13 . 1 1 37 37 MET HA H 37 5.383 5.383 5.100 0.283 18411 10368 1 13 . 1 1 37 37 MET C C 37 173.473 173.473 173.590 -0.117 18411 10369 1 13 . 1 1 37 37 MET CA C 37 53.661 53.661 54.068 -0.407 18411 10370 1 13 . 1 1 37 37 MET CB C 37 35.948 35.948 35.486 0.462 18411 10371 1 13 . 1 1 37 37 MET H H 37 8.694 8.694 8.944 -0.250 18411 10372 1 13 . 1 1 38 38 LEU N N 38 124.275 124.275 128.007 -3.732 18411 10373 1 13 . 1 1 38 38 LEU HA H 38 5.100 5.100 5.160 -0.060 18411 10374 1 13 . 1 1 38 38 LEU C C 38 175.828 175.828 175.353 0.475 18411 10375 1 13 . 1 1 38 38 LEU CA C 38 52.144 52.144 51.973 0.171 18411 10376 1 13 . 1 1 38 38 LEU CB C 38 42.898 42.898 41.783 1.115 18411 10377 1 13 . 1 1 38 38 LEU H H 38 9.181 9.181 9.251 -0.070 18411 10378 1 13 . 1 1 39 39 GLN N N 39 124.390 124.390 122.544 1.846 18411 10379 1 13 . 1 1 39 39 GLN HA H 39 5.369 5.369 5.034 0.335 18411 10380 1 13 . 1 1 39 39 GLN C C 39 175.696 175.696 174.818 0.878 18411 10381 1 13 . 1 1 39 39 GLN CA C 39 54.025 54.025 53.398 0.627 18411 10382 1 13 . 1 1 39 39 GLN CB C 39 28.735 28.735 30.405 -1.670 18411 10383 1 13 . 1 1 39 39 GLN H H 39 8.325 8.325 8.278 0.047 18411 10384 1 13 . 1 1 40 40 PHE N N 40 128.800 128.800 126.486 2.314 18411 10385 1 13 . 1 1 40 40 PHE HA H 40 5.182 5.182 5.618 -0.436 18411 10386 1 13 . 1 1 40 40 PHE C C 40 175.432 175.432 175.840 -0.408 18411 10387 1 13 . 1 1 40 40 PHE CA C 40 59.370 59.370 57.367 2.003 18411 10388 1 13 . 1 1 40 40 PHE CB C 40 39.256 39.256 39.830 -0.573 18411 10389 1 13 . 1 1 40 40 PHE H H 40 8.899 8.899 9.395 -0.496 18411 10390 1 13 . 1 1 41 41 THR N N 41 117.616 117.616 118.248 -0.632 18411 10391 1 13 . 1 1 41 41 THR HA H 41 5.274 5.274 4.823 0.451 18411 10392 1 13 . 1 1 41 41 THR C C 41 170.795 170.795 172.309 -1.514 18411 10393 1 13 . 1 1 41 41 THR CA C 41 59.448 59.448 58.937 0.511 18411 10394 1 13 . 1 1 41 41 THR CB C 41 70.892 70.892 71.673 -0.781 18411 10395 1 13 . 1 1 41 41 THR H H 41 8.589 8.589 9.098 -0.509 18411 10396 1 13 . 1 1 42 42 ALA N N 42 122.005 122.005 122.201 -0.196 18411 10397 1 13 . 1 1 42 42 ALA HA H 42 4.162 4.162 4.509 -0.347 18411 10398 1 13 . 1 1 42 42 ALA C C 42 177.618 177.618 176.807 0.811 18411 10399 1 13 . 1 1 42 42 ALA CA C 42 52.454 52.454 50.795 1.659 18411 10400 1 13 . 1 1 42 42 ALA CB C 42 20.704 20.704 20.335 0.369 18411 10401 1 13 . 1 1 42 42 ALA H H 42 7.201 7.201 7.556 -0.355 18411 10402 1 13 . 1 1 43 43 SER N N 43 117.426 117.426 118.501 -1.075 18411 10403 1 13 . 1 1 43 43 SER HA H 43 1.542 1.542 2.585 -1.043 18411 10404 1 13 . 1 1 43 43 SER C C 43 174.845 174.845 174.112 0.733 18411 10405 1 13 . 1 1 43 43 SER CA C 43 60.202 60.202 60.356 -0.154 18411 10406 1 13 . 1 1 43 43 SER CB C 43 63.040 63.040 63.262 -0.222 18411 10407 1 13 . 1 1 43 43 SER H H 43 9.472 9.472 8.200 1.272 18411 10408 1 13 . 1 1 44 44 TRP N N 44 116.512 116.512 115.850 0.662 18411 10409 1 13 . 1 1 44 44 TRP HA H 44 4.495 4.495 4.695 -0.200 18411 10410 1 13 . 1 1 44 44 TRP C C 44 176.297 176.297 174.885 1.412 18411 10411 1 13 . 1 1 44 44 TRP CA C 44 53.405 53.405 54.444 -1.039 18411 10412 1 13 . 1 1 44 44 TRP CB C 44 29.450 29.450 28.030 1.420 18411 10413 1 13 . 1 1 44 44 TRP H H 44 6.345 6.345 6.607 -0.262 18411 10414 1 13 . 1 1 45 45 CYS N N 45 125.015 125.015 122.268 2.747 18411 10415 1 13 . 1 1 45 45 CYS HA H 45 4.501 4.501 4.641 -0.140 18411 10416 1 13 . 1 1 45 45 CYS C C 45 176.409 176.409 175.783 0.626 18411 10417 1 13 . 1 1 45 45 CYS CA C 45 58.904 58.904 57.650 1.254 18411 10418 1 13 . 1 1 45 45 CYS CB C 45 28.203 28.203 28.970 -0.767 18411 10419 1 13 . 1 1 45 45 CYS H H 45 6.982 6.982 7.507 -0.525 18411 10420 1 13 . 1 1 46 46 GLY CA C 46 47.225 47.225 46.256 0.969 18411 10421 1 13 . 1 1 47 47 VAL HA H 47 3.804 3.804 4.041 -0.237 18411 10422 1 13 . 1 1 47 47 VAL CA C 47 66.661 66.661 64.775 1.886 18411 10423 1 13 . 1 1 47 47 VAL CB C 47 31.506 31.506 31.550 -0.045 18411 10424 1 13 . 1 1 48 48 CYS HA H 48 3.875 3.875 4.184 -0.309 18411 10425 1 13 . 1 1 48 48 CYS C C 48 177.961 177.961 176.424 1.537 18411 10426 1 13 . 1 1 48 48 CYS CA C 48 65.053 65.053 62.821 2.232 18411 10427 1 13 . 1 1 48 48 CYS CB C 48 28.741 28.741 26.841 1.899 18411 10428 1 13 . 1 1 49 49 ARG N N 49 115.039 115.039 116.925 -1.886 18411 10429 1 13 . 1 1 49 49 ARG HA H 49 3.898 3.898 4.036 -0.138 18411 10430 1 13 . 1 1 49 49 ARG C C 49 177.871 177.871 176.799 1.072 18411 10431 1 13 . 1 1 49 49 ARG CA C 49 59.837 59.837 58.208 1.629 18411 10432 1 13 . 1 1 49 49 ARG CB C 49 30.585 30.585 29.450 1.135 18411 10433 1 13 . 1 1 49 49 ARG H H 49 7.658 7.658 8.097 -0.439 18411 10434 1 13 . 1 1 50 50 LYS N N 50 117.909 117.909 118.089 -0.180 18411 10435 1 13 . 1 1 50 50 LYS HA H 50 4.098 4.098 4.322 -0.224 18411 10436 1 13 . 1 1 50 50 LYS C C 50 177.723 177.723 177.572 0.151 18411 10437 1 13 . 1 1 50 50 LYS CA C 50 58.198 58.198 57.792 0.406 18411 10438 1 13 . 1 1 50 50 LYS CB C 50 32.803 32.803 33.109 -0.306 18411 10439 1 13 . 1 1 50 50 LYS H H 50 7.385 7.385 7.701 -0.316 18411 10440 1 13 . 1 1 51 51 GLU N N 51 117.196 117.196 121.120 -3.924 18411 10441 1 13 . 1 1 51 51 GLU HA H 51 3.453 3.453 3.848 -0.395 18411 10442 1 13 . 1 1 51 51 GLU C C 51 179.194 179.194 178.899 0.295 18411 10443 1 13 . 1 1 51 51 GLU CA C 51 57.754 57.754 59.685 -1.931 18411 10444 1 13 . 1 1 51 51 GLU CB C 51 29.825 29.825 29.815 0.010 18411 10445 1 13 . 1 1 51 51 GLU H H 51 7.764 7.764 7.710 0.054 18411 10446 1 13 . 1 1 52 52 MET N N 52 118.785 118.785 117.800 0.985 18411 10447 1 13 . 1 1 52 52 MET HA H 52 3.979 3.979 4.522 -0.543 18411 10448 1 13 . 1 1 52 52 MET C C 52 174.346 174.346 175.861 -1.515 18411 10449 1 13 . 1 1 52 52 MET CA C 52 62.384 62.384 61.738 0.646 18411 10450 1 13 . 1 1 52 52 MET CB C 52 32.805 32.805 30.833 1.972 18411 10451 1 13 . 1 1 52 52 MET H H 52 8.100 8.100 8.405 -0.305 18411 10452 1 13 . 1 1 53 53 PRO HA H 53 4.299 4.299 4.476 -0.177 18411 10453 1 13 . 1 1 53 53 PRO C C 53 179.242 179.242 179.622 -0.380 18411 10454 1 13 . 1 1 53 53 PRO CA C 53 65.708 65.708 66.091 -0.383 18411 10455 1 13 . 1 1 53 53 PRO CB C 53 31.570 31.570 31.316 0.254 18411 10456 1 13 . 1 1 54 54 PHE N N 54 116.067 116.067 116.939 -0.872 18411 10457 1 13 . 1 1 54 54 PHE HA H 54 4.372 4.372 4.147 0.225 18411 10458 1 13 . 1 1 54 54 PHE C C 54 178.283 178.283 177.972 0.311 18411 10459 1 13 . 1 1 54 54 PHE CA C 54 61.249 61.249 62.720 -1.471 18411 10460 1 13 . 1 1 54 54 PHE CB C 54 38.366 38.366 38.316 0.050 18411 10461 1 13 . 1 1 54 54 PHE H H 54 7.251 7.251 7.685 -0.434 18411 10462 1 13 . 1 1 55 55 ILE N N 55 122.051 122.051 120.505 1.546 18411 10463 1 13 . 1 1 55 55 ILE HA H 55 3.746 3.746 3.957 -0.211 18411 10464 1 13 . 1 1 55 55 ILE C C 55 179.005 179.005 178.132 0.873 18411 10465 1 13 . 1 1 55 55 ILE CA C 55 66.678 66.678 66.197 0.481 18411 10466 1 13 . 1 1 55 55 ILE CB C 55 37.449 37.449 37.877 -0.428 18411 10467 1 13 . 1 1 55 55 ILE H H 55 7.935 7.935 8.923 -0.988 18411 10468 1 13 . 1 1 56 56 GLU N N 56 120.941 120.941 118.691 2.250 18411 10469 1 13 . 1 1 56 56 GLU HA H 56 4.578 4.578 4.194 0.384 18411 10470 1 13 . 1 1 56 56 GLU C C 56 177.034 177.034 178.781 -1.747 18411 10471 1 13 . 1 1 56 56 GLU CA C 56 59.607 59.607 59.709 -0.102 18411 10472 1 13 . 1 1 56 56 GLU CB C 56 29.640 29.640 29.287 0.353 18411 10473 1 13 . 1 1 56 56 GLU H H 56 8.657 8.657 8.717 -0.060 18411 10474 1 13 . 1 1 57 57 LYS N N 57 114.712 114.712 120.299 -5.587 18411 10475 1 13 . 1 1 57 57 LYS HA H 57 4.165 4.165 3.989 0.176 18411 10476 1 13 . 1 1 57 57 LYS C C 57 177.831 177.831 178.540 -0.709 18411 10477 1 13 . 1 1 57 57 LYS CA C 57 59.905 59.905 60.157 -0.253 18411 10478 1 13 . 1 1 57 57 LYS CB C 57 33.873 33.873 32.473 1.400 18411 10479 1 13 . 1 1 57 57 LYS H H 57 7.719 7.719 8.084 -0.365 18411 10480 1 13 . 1 1 58 58 ASP N N 58 114.953 114.953 116.880 -1.927 18411 10481 1 13 . 1 1 58 58 ASP HA H 58 4.843 4.843 4.782 0.061 18411 10482 1 13 . 1 1 58 58 ASP C C 58 176.515 176.515 178.892 -2.377 18411 10483 1 13 . 1 1 58 58 ASP CA C 58 56.125 56.125 56.196 -0.071 18411 10484 1 13 . 1 1 58 58 ASP CB C 58 42.087 42.087 42.180 -0.093 18411 10485 1 13 . 1 1 58 58 ASP H H 58 8.783 8.783 8.221 0.562 18411 10486 1 13 . 1 1 59 59 ILE N N 59 115.807 115.807 120.769 -4.962 18411 10487 1 13 . 1 1 59 59 ILE HA H 59 4.268 4.268 4.229 0.039 18411 10488 1 13 . 1 1 59 59 ILE C C 59 176.369 176.369 176.795 -0.426 18411 10489 1 13 . 1 1 59 59 ILE CA C 59 63.757 63.757 63.573 0.184 18411 10490 1 13 . 1 1 59 59 ILE CB C 59 40.396 40.396 39.235 1.161 18411 10491 1 13 . 1 1 59 59 ILE H H 59 7.455 7.455 8.463 -1.008 18411 10492 1 13 . 1 1 60 60 TRP N N 60 120.937 120.937 121.980 -1.043 18411 10493 1 13 . 1 1 60 60 TRP HA H 60 4.727 4.727 4.381 0.346 18411 10494 1 13 . 1 1 60 60 TRP C C 60 177.428 177.428 178.241 -0.813 18411 10495 1 13 . 1 1 60 60 TRP CA C 60 60.644 60.644 60.687 -0.043 18411 10496 1 13 . 1 1 60 60 TRP CB C 60 30.907 30.907 30.676 0.231 18411 10497 1 13 . 1 1 60 60 TRP H H 60 9.012 9.012 7.808 1.204 18411 10498 1 13 . 1 1 61 61 LEU N N 61 113.624 113.624 117.818 -4.194 18411 10499 1 13 . 1 1 61 61 LEU HA H 61 3.572 3.572 3.753 -0.181 18411 10500 1 13 . 1 1 61 61 LEU C C 61 179.473 179.473 178.796 0.677 18411 10501 1 13 . 1 1 61 61 LEU CA C 61 57.569 57.569 58.211 -0.642 18411 10502 1 13 . 1 1 61 61 LEU CB C 61 41.040 41.040 41.042 -0.002 18411 10503 1 13 . 1 1 61 61 LEU H H 61 9.210 9.210 8.778 0.432 18411 10504 1 13 . 1 1 62 62 LYS N N 62 112.991 112.991 115.272 -2.281 18411 10505 1 13 . 1 1 62 62 LYS HA H 62 3.889 3.889 3.973 -0.084 18411 10506 1 13 . 1 1 62 62 LYS C C 62 178.111 178.111 176.984 1.127 18411 10507 1 13 . 1 1 62 62 LYS CA C 62 56.667 56.667 57.305 -0.638 18411 10508 1 13 . 1 1 62 62 LYS CB C 62 31.651 31.651 32.027 -0.376 18411 10509 1 13 . 1 1 62 62 LYS H H 62 6.216 6.216 7.462 -1.246 18411 10510 1 13 . 1 1 63 63 HIS N N 63 114.656 114.656 114.980 -0.324 18411 10511 1 13 . 1 1 63 63 HIS HA H 63 4.943 4.943 4.527 0.416 18411 10512 1 13 . 1 1 63 63 HIS C C 63 177.057 177.057 174.156 2.901 18411 10513 1 13 . 1 1 63 63 HIS CA C 63 56.133 56.133 54.223 1.910 18411 10514 1 13 . 1 1 63 63 HIS CB C 63 33.235 33.235 30.060 3.175 18411 10515 1 13 . 1 1 63 63 HIS H H 63 7.067 7.067 7.391 -0.324 18411 10516 1 13 . 1 1 64 64 LYS N N 64 119.155 119.155 121.749 -2.594 18411 10517 1 13 . 1 1 64 64 LYS HA H 64 3.513 3.513 2.919 0.594 18411 10518 1 13 . 1 1 64 64 LYS C C 64 177.074 177.074 176.857 0.217 18411 10519 1 13 . 1 1 64 64 LYS CA C 64 59.166 59.166 57.521 1.645 18411 10520 1 13 . 1 1 64 64 LYS CB C 64 28.740 28.740 31.271 -2.531 18411 10521 1 13 . 1 1 64 64 LYS H H 64 8.114 8.114 7.533 0.581 18411 10522 1 13 . 1 1 65 65 ASP N N 65 117.882 117.882 123.989 -6.107 18411 10523 1 13 . 1 1 65 65 ASP HA H 65 4.714 4.714 4.421 0.293 18411 10524 1 13 . 1 1 65 65 ASP C C 65 175.195 175.195 176.698 -1.503 18411 10525 1 13 . 1 1 65 65 ASP CA C 65 54.204 54.204 57.359 -3.155 18411 10526 1 13 . 1 1 65 65 ASP CB C 65 40.564 40.564 40.204 0.360 18411 10527 1 13 . 1 1 65 65 ASP H H 65 7.963 7.963 8.529 -0.566 18411 10528 1 13 . 1 1 66 66 ASN N N 66 122.091 122.091 117.931 4.160 18411 10529 1 13 . 1 1 66 66 ASN HA H 66 4.659 4.659 4.221 0.438 18411 10530 1 13 . 1 1 66 66 ASN C C 66 176.046 176.046 175.493 0.553 18411 10531 1 13 . 1 1 66 66 ASN CA C 66 52.799 52.799 54.366 -1.567 18411 10532 1 13 . 1 1 66 66 ASN CB C 66 39.054 39.054 38.319 0.735 18411 10533 1 13 . 1 1 66 66 ASN H H 66 8.184 8.184 8.484 -0.300 18411 10534 1 13 . 1 1 67 67 ALA N N 67 128.893 128.893 116.780 12.113 18411 10535 1 13 . 1 1 67 67 ALA HA H 67 4.295 4.295 3.996 0.299 18411 10536 1 13 . 1 1 67 67 ALA C C 67 177.886 177.886 176.954 0.932 18411 10537 1 13 . 1 1 67 67 ALA CA C 67 54.049 54.049 53.662 0.387 18411 10538 1 13 . 1 1 67 67 ALA CB C 67 18.549 18.549 18.132 0.417 18411 10539 1 13 . 1 1 67 67 ALA H H 67 8.806 8.806 8.565 0.241 18411 10540 1 13 . 1 1 68 68 ASP N N 68 116.612 116.612 116.009 0.603 18411 10541 1 13 . 1 1 68 68 ASP HA H 68 4.823 4.823 4.923 -0.100 18411 10542 1 13 . 1 1 68 68 ASP C C 68 173.310 173.310 173.882 -0.572 18411 10543 1 13 . 1 1 68 68 ASP CA C 68 54.202 54.202 54.265 -0.063 18411 10544 1 13 . 1 1 68 68 ASP CB C 68 40.892 40.892 43.057 -2.165 18411 10545 1 13 . 1 1 68 68 ASP H H 68 8.759 8.759 8.095 0.664 18411 10546 1 13 . 1 1 69 69 PHE N N 69 119.640 119.640 122.329 -2.689 18411 10547 1 13 . 1 1 69 69 PHE HA H 69 5.741 5.741 5.507 0.234 18411 10548 1 13 . 1 1 69 69 PHE C C 69 173.860 173.860 172.590 1.270 18411 10549 1 13 . 1 1 69 69 PHE CA C 69 56.192 56.192 55.926 0.266 18411 10550 1 13 . 1 1 69 69 PHE CB C 69 43.496 43.496 42.428 1.068 18411 10551 1 13 . 1 1 69 69 PHE H H 69 7.912 7.912 8.529 -0.617 18411 10552 1 13 . 1 1 70 70 ALA N N 70 130.226 130.226 131.477 -1.251 18411 10553 1 13 . 1 1 70 70 ALA HA H 70 4.321 4.321 4.730 -0.409 18411 10554 1 13 . 1 1 70 70 ALA C C 70 171.945 171.945 174.484 -2.539 18411 10555 1 13 . 1 1 70 70 ALA CA C 70 51.573 51.573 50.114 1.459 18411 10556 1 13 . 1 1 70 70 ALA CB C 70 23.273 23.273 20.881 2.392 18411 10557 1 13 . 1 1 70 70 ALA H H 70 8.298 8.298 8.796 -0.498 18411 10558 1 13 . 1 1 71 71 LEU N N 71 122.090 122.090 126.562 -4.472 18411 10559 1 13 . 1 1 71 71 LEU HA H 71 5.120 5.120 4.890 0.230 18411 10560 1 13 . 1 1 71 71 LEU C C 71 174.836 174.836 175.382 -0.546 18411 10561 1 13 . 1 1 71 71 LEU CA C 71 53.348 53.348 53.719 -0.371 18411 10562 1 13 . 1 1 71 71 LEU CB C 71 46.617 46.617 43.810 2.807 18411 10563 1 13 . 1 1 71 71 LEU H H 71 7.217 7.217 8.550 -1.333 18411 10564 1 13 . 1 1 72 72 ILE N N 72 123.189 123.189 125.482 -2.293 18411 10565 1 13 . 1 1 72 72 ILE HA H 72 4.336 4.336 4.622 -0.286 18411 10566 1 13 . 1 1 72 72 ILE C C 72 175.377 175.377 174.748 0.629 18411 10567 1 13 . 1 1 72 72 ILE CA C 72 60.236 60.236 58.895 1.341 18411 10568 1 13 . 1 1 72 72 ILE CB C 72 42.355 42.355 41.020 1.335 18411 10569 1 13 . 1 1 72 72 ILE H H 72 8.211 8.211 8.908 -0.697 18411 10570 1 13 . 1 1 73 73 GLY N N 73 114.189 114.189 114.552 -0.363 18411 10571 1 13 . 1 1 73 73 GLY C C 73 172.626 172.626 172.426 0.200 18411 10572 1 13 . 1 1 73 73 GLY CA C 73 44.213 44.213 43.669 0.545 18411 10573 1 13 . 1 1 73 73 GLY H H 73 9.202 9.202 8.648 0.554 18411 10574 1 13 . 1 1 74 74 ILE N N 74 126.577 126.577 125.958 0.619 18411 10575 1 13 . 1 1 74 74 ILE HA H 74 3.873 3.873 5.028 -1.155 18411 10576 1 13 . 1 1 74 74 ILE C C 74 174.792 174.792 174.582 0.210 18411 10577 1 13 . 1 1 74 74 ILE CA C 74 61.660 61.660 60.065 1.595 18411 10578 1 13 . 1 1 74 74 ILE CB C 74 37.394 37.394 40.865 -3.471 18411 10579 1 13 . 1 1 74 74 ILE H H 74 9.279 9.279 9.169 0.110 18411 10580 1 13 . 1 1 75 75 ASP N N 75 129.040 129.040 127.666 1.374 18411 10581 1 13 . 1 1 75 75 ASP HA H 75 5.213 5.213 5.132 0.081 18411 10582 1 13 . 1 1 75 75 ASP C C 75 175.696 175.696 176.829 -1.133 18411 10583 1 13 . 1 1 75 75 ASP CA C 75 52.425 52.425 53.387 -0.962 18411 10584 1 13 . 1 1 75 75 ASP CB C 75 41.673 41.673 43.680 -2.007 18411 10585 1 13 . 1 1 75 75 ASP H H 75 8.592 8.592 8.614 -0.022 18411 10586 1 13 . 1 1 76 76 ARG N N 76 128.762 128.762 124.824 3.938 18411 10587 1 13 . 1 1 76 76 ARG HA H 76 4.346 4.346 3.913 0.433 18411 10588 1 13 . 1 1 76 76 ARG C C 76 174.562 174.562 175.520 -0.958 18411 10589 1 13 . 1 1 76 76 ARG CA C 76 58.885 58.885 58.678 0.207 18411 10590 1 13 . 1 1 76 76 ARG CB C 76 32.732 32.732 30.804 1.928 18411 10591 1 13 . 1 1 76 76 ARG H H 76 8.842 8.842 8.174 0.668 18411 10592 1 13 . 1 1 77 77 ASP N N 77 128.451 128.451 111.195 17.256 18411 10593 1 13 . 1 1 77 77 ASP HA H 77 4.473 4.473 4.943 -0.470 18411 10594 1 13 . 1 1 77 77 ASP C C 77 173.969 173.969 176.617 -2.648 18411 10595 1 13 . 1 1 77 77 ASP CA C 77 56.139 56.139 54.134 2.005 18411 10596 1 13 . 1 1 77 77 ASP CB C 77 42.541 42.541 42.778 -0.237 18411 10597 1 13 . 1 1 77 77 ASP H H 77 8.256 8.256 8.603 -0.347 18411 10598 1 13 . 1 1 78 78 GLU N N 78 114.796 114.796 122.376 -7.580 18411 10599 1 13 . 1 1 78 78 GLU HA H 78 5.060 5.060 4.593 0.467 18411 10600 1 13 . 1 1 78 78 GLU C C 78 174.225 174.225 175.165 -0.940 18411 10601 1 13 . 1 1 78 78 GLU CA C 78 54.220 54.220 55.345 -1.125 18411 10602 1 13 . 1 1 78 78 GLU CB C 78 32.842 32.842 29.807 3.035 18411 10603 1 13 . 1 1 78 78 GLU H H 78 8.010 8.010 8.627 -0.617 18411 10604 1 13 . 1 1 79 79 PRO HA H 79 4.579 4.579 4.416 0.163 18411 10605 1 13 . 1 1 79 79 PRO C C 79 177.508 177.508 177.813 -0.305 18411 10606 1 13 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.493 -0.426 18411 10607 1 13 . 1 1 79 79 PRO CB C 79 33.096 33.096 32.536 0.560 18411 10608 1 13 . 1 1 80 80 LEU N N 80 122.209 122.209 121.418 0.791 18411 10609 1 13 . 1 1 80 80 LEU HA H 80 3.927 3.927 4.040 -0.113 18411 10610 1 13 . 1 1 80 80 LEU C C 80 177.847 177.847 178.405 -0.558 18411 10611 1 13 . 1 1 80 80 LEU CA C 80 59.188 59.188 59.156 0.032 18411 10612 1 13 . 1 1 80 80 LEU CB C 80 42.001 42.001 40.900 1.101 18411 10613 1 13 . 1 1 80 80 LEU H H 80 8.943 8.943 8.476 0.467 18411 10614 1 13 . 1 1 81 81 GLU N N 81 115.361 115.361 117.253 -1.892 18411 10615 1 13 . 1 1 81 81 GLU HA H 81 3.999 3.999 4.085 -0.086 18411 10616 1 13 . 1 1 81 81 GLU C C 81 180.044 180.044 178.865 1.179 18411 10617 1 13 . 1 1 81 81 GLU CA C 81 60.552 60.552 59.137 1.415 18411 10618 1 13 . 1 1 81 81 GLU CB C 81 28.723 28.723 28.233 0.490 18411 10619 1 13 . 1 1 81 81 GLU H H 81 9.534 9.534 8.900 0.634 18411 10620 1 13 . 1 1 82 82 LYS N N 82 118.582 118.582 119.492 -0.910 18411 10621 1 13 . 1 1 82 82 LYS HA H 82 4.183 4.183 4.119 0.064 18411 10622 1 13 . 1 1 82 82 LYS C C 82 179.226 179.226 178.563 0.663 18411 10623 1 13 . 1 1 82 82 LYS CA C 82 58.248 58.248 58.511 -0.263 18411 10624 1 13 . 1 1 82 82 LYS CB C 82 32.912 32.912 31.719 1.193 18411 10625 1 13 . 1 1 82 82 LYS H H 82 7.332 7.332 7.418 -0.086 18411 10626 1 13 . 1 1 83 83 VAL N N 83 122.971 122.971 120.734 2.237 18411 10627 1 13 . 1 1 83 83 VAL HA H 83 3.554 3.554 3.765 -0.211 18411 10628 1 13 . 1 1 83 83 VAL C C 83 178.331 178.331 178.636 -0.305 18411 10629 1 13 . 1 1 83 83 VAL CA C 83 67.063 67.063 66.265 0.798 18411 10630 1 13 . 1 1 83 83 VAL CB C 83 31.497 31.497 30.922 0.575 18411 10631 1 13 . 1 1 83 83 VAL H H 83 7.743 7.743 7.862 -0.119 18411 10632 1 13 . 1 1 84 84 LEU N N 84 119.209 119.209 118.443 0.766 18411 10633 1 13 . 1 1 84 84 LEU HA H 84 4.030 4.030 4.128 -0.098 18411 10634 1 13 . 1 1 84 84 LEU C C 84 180.647 180.647 178.986 1.661 18411 10635 1 13 . 1 1 84 84 LEU CA C 84 57.975 57.975 57.301 0.674 18411 10636 1 13 . 1 1 84 84 LEU CB C 84 42.010 42.010 40.034 1.976 18411 10637 1 13 . 1 1 84 84 LEU H H 84 8.706 8.706 8.059 0.647 18411 10638 1 13 . 1 1 85 85 ALA N N 85 120.801 120.801 122.840 -2.039 18411 10639 1 13 . 1 1 85 85 ALA HA H 85 4.198 4.198 4.229 -0.031 18411 10640 1 13 . 1 1 85 85 ALA C C 85 180.253 180.253 179.548 0.705 18411 10641 1 13 . 1 1 85 85 ALA CA C 85 54.947 54.947 54.706 0.241 18411 10642 1 13 . 1 1 85 85 ALA CB C 85 17.973 17.973 18.424 -0.451 18411 10643 1 13 . 1 1 85 85 ALA H H 85 7.440 7.440 7.377 0.063 18411 10644 1 13 . 1 1 86 86 PHE N N 86 123.035 123.035 120.162 2.873 18411 10645 1 13 . 1 1 86 86 PHE HA H 86 4.905 4.905 4.069 0.836 18411 10646 1 13 . 1 1 86 86 PHE C C 86 179.015 179.015 176.755 2.260 18411 10647 1 13 . 1 1 86 86 PHE CA C 86 56.648 56.648 61.300 -4.652 18411 10648 1 13 . 1 1 86 86 PHE CB C 86 39.249 39.249 39.402 -0.153 18411 10649 1 13 . 1 1 86 86 PHE H H 86 8.040 8.040 8.747 -0.707 18411 10650 1 13 . 1 1 87 87 ALA N N 87 123.932 123.932 120.407 3.525 18411 10651 1 13 . 1 1 87 87 ALA HA H 87 3.480 3.480 3.872 -0.392 18411 10652 1 13 . 1 1 87 87 ALA C C 87 179.800 179.800 179.028 0.772 18411 10653 1 13 . 1 1 87 87 ALA CA C 87 55.183 55.183 54.929 0.254 18411 10654 1 13 . 1 1 87 87 ALA CB C 87 17.602 17.602 18.707 -1.105 18411 10655 1 13 . 1 1 87 87 ALA H H 87 8.453 8.453 8.023 0.430 18411 10656 1 13 . 1 1 88 88 LYS N N 88 116.535 116.535 116.294 0.241 18411 10657 1 13 . 1 1 88 88 LYS HA H 88 4.030 4.030 4.044 -0.014 18411 10658 1 13 . 1 1 88 88 LYS C C 88 179.562 179.562 178.173 1.389 18411 10659 1 13 . 1 1 88 88 LYS CA C 88 59.063 59.063 58.293 0.770 18411 10660 1 13 . 1 1 88 88 LYS CB C 88 32.466 32.466 31.924 0.542 18411 10661 1 13 . 1 1 88 88 LYS H H 88 7.664 7.664 7.749 -0.085 18411 10662 1 13 . 1 1 89 89 SER N N 89 113.619 113.619 114.264 -0.645 18411 10663 1 13 . 1 1 89 89 SER HA H 89 4.271 4.271 4.441 -0.170 18411 10664 1 13 . 1 1 89 89 SER C C 89 177.004 177.004 174.675 2.329 18411 10665 1 13 . 1 1 89 89 SER CA C 89 61.139 61.139 60.390 0.749 18411 10666 1 13 . 1 1 89 89 SER CB C 89 63.327 63.327 63.259 0.068 18411 10667 1 13 . 1 1 89 89 SER H H 89 8.417 8.417 7.693 0.724 18411 10668 1 13 . 1 1 90 90 THR N N 90 109.601 109.601 110.342 -0.741 18411 10669 1 13 . 1 1 90 90 THR HA H 90 4.287 4.287 4.437 -0.150 18411 10670 1 13 . 1 1 90 90 THR C C 90 176.074 176.074 175.549 0.525 18411 10671 1 13 . 1 1 90 90 THR CA C 90 62.926 62.926 61.430 1.496 18411 10672 1 13 . 1 1 90 90 THR CB C 90 70.563 70.563 71.360 -0.797 18411 10673 1 13 . 1 1 90 90 THR H H 90 7.710 7.710 7.726 -0.016 18411 10674 1 13 . 1 1 91 91 GLY N N 91 110.243 110.243 111.298 -1.055 18411 10675 1 13 . 1 1 91 91 GLY C C 91 174.815 174.815 173.372 1.443 18411 10676 1 13 . 1 1 91 91 GLY CA C 91 46.042 46.042 44.913 1.129 18411 10677 1 13 . 1 1 91 91 GLY H H 91 7.609 7.609 8.054 -0.445 18411 10678 1 13 . 1 1 92 92 VAL N N 92 112.099 112.099 121.980 -9.881 18411 10679 1 13 . 1 1 92 92 VAL HA H 92 4.309 4.309 3.670 0.639 18411 10680 1 13 . 1 1 92 92 VAL C C 92 178.372 178.372 175.518 2.854 18411 10681 1 13 . 1 1 92 92 VAL CA C 92 60.696 60.696 63.343 -2.647 18411 10682 1 13 . 1 1 92 92 VAL CB C 92 32.337 32.337 30.526 1.811 18411 10683 1 13 . 1 1 92 92 VAL H H 92 7.046 7.046 8.749 -1.703 18411 10684 1 13 . 1 1 93 93 THR N N 93 114.289 114.289 114.743 -0.454 18411 10685 1 13 . 1 1 93 93 THR HA H 93 4.457 4.457 4.300 0.157 18411 10686 1 13 . 1 1 93 93 THR C C 93 175.115 175.115 173.330 1.785 18411 10687 1 13 . 1 1 93 93 THR CA C 93 61.280 61.280 62.459 -1.179 18411 10688 1 13 . 1 1 93 93 THR CB C 93 70.314 70.314 69.359 0.955 18411 10689 1 13 . 1 1 93 93 THR H H 93 10.844 10.844 8.979 1.865 18411 10690 1 13 . 1 1 94 94 TYR N N 94 122.050 122.050 118.802 3.248 18411 10691 1 13 . 1 1 94 94 TYR HA H 94 3.740 3.740 4.335 -0.595 18411 10692 1 13 . 1 1 94 94 TYR C C 94 171.563 171.563 172.772 -1.209 18411 10693 1 13 . 1 1 94 94 TYR CA C 94 53.080 53.080 53.363 -0.283 18411 10694 1 13 . 1 1 94 94 TYR CB C 94 34.195 34.195 37.359 -3.164 18411 10695 1 13 . 1 1 94 94 TYR H H 94 6.391 6.391 7.012 -0.621 18411 10696 1 13 . 1 1 95 95 PRO HA H 95 4.105 4.105 4.329 -0.224 18411 10697 1 13 . 1 1 95 95 PRO C C 95 175.152 175.152 175.390 -0.238 18411 10698 1 13 . 1 1 95 95 PRO CA C 95 63.799 63.799 62.658 1.141 18411 10699 1 13 . 1 1 95 95 PRO CB C 95 32.919 32.919 32.665 0.254 18411 10700 1 13 . 1 1 96 96 LEU N N 96 122.325 122.325 122.321 0.004 18411 10701 1 13 . 1 1 96 96 LEU HA H 96 5.143 5.143 5.195 -0.052 18411 10702 1 13 . 1 1 96 96 LEU C C 96 176.072 176.072 176.349 -0.277 18411 10703 1 13 . 1 1 96 96 LEU CA C 96 52.794 52.794 53.390 -0.596 18411 10704 1 13 . 1 1 96 96 LEU CB C 96 45.567 45.567 45.574 -0.007 18411 10705 1 13 . 1 1 96 96 LEU H H 96 8.256 8.256 8.286 -0.030 18411 10706 1 13 . 1 1 97 97 GLY N N 97 107.295 107.295 107.775 -0.480 18411 10707 1 13 . 1 1 97 97 GLY C C 97 171.546 171.546 172.256 -0.710 18411 10708 1 13 . 1 1 97 97 GLY CA C 97 44.069 44.069 43.652 0.417 18411 10709 1 13 . 1 1 97 97 GLY H H 97 9.177 9.177 9.210 -0.033 18411 10710 1 13 . 1 1 98 98 LEU N N 98 118.550 118.550 118.589 -0.039 18411 10711 1 13 . 1 1 98 98 LEU HA H 98 4.872 4.872 4.803 0.069 18411 10712 1 13 . 1 1 98 98 LEU C C 98 176.132 176.132 174.567 1.565 18411 10713 1 13 . 1 1 98 98 LEU CA C 98 54.460 54.460 53.793 0.667 18411 10714 1 13 . 1 1 98 98 LEU CB C 98 43.567 43.567 43.334 0.233 18411 10715 1 13 . 1 1 98 98 LEU H H 98 8.106 8.106 8.174 -0.068 18411 10716 1 13 . 1 1 99 99 ASP N N 99 118.061 118.061 123.784 -5.723 18411 10717 1 13 . 1 1 99 99 ASP HA H 99 5.403 5.403 5.008 0.395 18411 10718 1 13 . 1 1 99 99 ASP C C 99 175.069 175.069 174.451 0.618 18411 10719 1 13 . 1 1 99 99 ASP CA C 99 51.057 51.057 50.422 0.635 18411 10720 1 13 . 1 1 99 99 ASP CB C 99 42.069 42.069 42.460 -0.391 18411 10721 1 13 . 1 1 99 99 ASP H H 99 8.481 8.481 8.367 0.114 18411 10722 1 13 . 1 1 100 100 PRO HA H 100 4.564 4.564 4.552 0.012 18411 10723 1 13 . 1 1 100 100 PRO C C 100 179.600 179.600 177.207 2.393 18411 10724 1 13 . 1 1 100 100 PRO CA C 100 64.020 64.020 63.116 0.904 18411 10725 1 13 . 1 1 100 100 PRO CB C 100 31.455 31.455 30.512 0.943 18411 10726 1 13 . 1 1 101 101 GLY N N 101 114.780 114.780 112.245 2.535 18411 10727 1 13 . 1 1 101 101 GLY C C 101 173.600 173.600 173.717 -0.117 18411 10728 1 13 . 1 1 101 101 GLY CA C 101 46.175 46.175 45.013 1.162 18411 10729 1 13 . 1 1 101 101 GLY H H 101 9.045 9.045 8.115 0.930 18411 10730 1 13 . 1 1 102 102 ALA N N 102 117.089 117.089 121.143 -4.054 18411 10731 1 13 . 1 1 102 102 ALA HA H 102 4.376 4.376 4.161 0.215 18411 10732 1 13 . 1 1 102 102 ALA C C 102 175.955 175.955 176.987 -1.032 18411 10733 1 13 . 1 1 102 102 ALA CA C 102 52.693 52.693 52.620 0.073 18411 10734 1 13 . 1 1 102 102 ALA CB C 102 18.256 18.256 17.430 0.826 18411 10735 1 13 . 1 1 102 102 ALA H H 102 8.257 8.257 7.861 0.396 18411 10736 1 13 . 1 1 103 103 ASP N N 103 118.691 118.691 119.082 -0.391 18411 10737 1 13 . 1 1 103 103 ASP HA H 103 4.444 4.444 4.497 -0.053 18411 10738 1 13 . 1 1 103 103 ASP C C 103 179.021 179.021 177.675 1.346 18411 10739 1 13 . 1 1 103 103 ASP CA C 103 57.935 57.935 56.897 1.038 18411 10740 1 13 . 1 1 103 103 ASP CB C 103 41.368 41.368 41.465 -0.097 18411 10741 1 13 . 1 1 103 103 ASP H H 103 6.739 6.739 8.458 -1.719 18411 10742 1 13 . 1 1 104 104 ILE N N 104 126.075 126.075 120.025 6.050 18411 10743 1 13 . 1 1 104 104 ILE HA H 104 3.682 3.682 3.759 -0.077 18411 10744 1 13 . 1 1 104 104 ILE C C 104 179.321 179.321 177.614 1.707 18411 10745 1 13 . 1 1 104 104 ILE CA C 104 66.522 66.522 62.826 3.696 18411 10746 1 13 . 1 1 104 104 ILE CB C 104 36.754 36.754 37.005 -0.251 18411 10747 1 13 . 1 1 104 104 ILE H H 104 11.476 11.476 8.139 3.337 18411 10748 1 13 . 1 1 105 105 PHE N N 105 124.513 124.513 119.723 4.790 18411 10749 1 13 . 1 1 105 105 PHE HA H 105 3.646 3.646 3.746 -0.100 18411 10750 1 13 . 1 1 105 105 PHE C C 105 177.818 177.818 176.525 1.293 18411 10751 1 13 . 1 1 105 105 PHE CA C 105 62.948 62.948 61.519 1.429 18411 10752 1 13 . 1 1 105 105 PHE CB C 105 38.350 38.350 39.158 -0.808 18411 10753 1 13 . 1 1 105 105 PHE H H 105 9.473 9.473 8.881 0.592 18411 10754 1 13 . 1 1 106 106 ALA N N 106 115.835 115.835 120.043 -4.208 18411 10755 1 13 . 1 1 106 106 ALA HA H 106 4.927 4.927 4.651 0.276 18411 10756 1 13 . 1 1 106 106 ALA C C 106 179.271 179.271 178.662 0.609 18411 10757 1 13 . 1 1 106 106 ALA CA C 106 52.672 52.672 53.847 -1.175 18411 10758 1 13 . 1 1 106 106 ALA CB C 106 19.093 19.093 18.481 0.612 18411 10759 1 13 . 1 1 106 106 ALA H H 106 8.418 8.418 7.592 0.826 18411 10760 1 13 . 1 1 107 107 LYS N N 107 116.823 116.823 116.520 0.303 18411 10761 1 13 . 1 1 107 107 LYS HA H 107 4.145 4.145 4.053 0.092 18411 10762 1 13 . 1 1 107 107 LYS C C 107 176.006 176.006 176.921 -0.915 18411 10763 1 13 . 1 1 107 107 LYS CA C 107 57.980 57.980 58.232 -0.252 18411 10764 1 13 . 1 1 107 107 LYS CB C 107 33.041 33.041 32.492 0.548 18411 10765 1 13 . 1 1 107 107 LYS H H 107 8.106 8.106 7.597 0.509 18411 10766 1 13 . 1 1 108 108 TYR N N 108 114.793 114.793 115.483 -0.690 18411 10767 1 13 . 1 1 108 108 TYR HA H 108 4.311 4.311 4.513 -0.202 18411 10768 1 13 . 1 1 108 108 TYR C C 108 176.010 176.010 174.323 1.687 18411 10769 1 13 . 1 1 108 108 TYR CA C 108 59.270 59.270 59.390 -0.120 18411 10770 1 13 . 1 1 108 108 TYR CB C 108 40.965 40.965 41.467 -0.502 18411 10771 1 13 . 1 1 108 108 TYR H H 108 7.811 7.811 7.464 0.347 18411 10772 1 13 . 1 1 109 109 ALA N N 109 125.709 125.709 118.698 7.011 18411 10773 1 13 . 1 1 109 109 ALA HA H 109 4.760 4.760 4.779 -0.018 18411 10774 1 13 . 1 1 109 109 ALA C C 109 174.711 174.711 174.826 -0.115 18411 10775 1 13 . 1 1 109 109 ALA CA C 109 50.276 50.276 49.897 0.379 18411 10776 1 13 . 1 1 109 109 ALA CB C 109 21.924 21.924 21.765 0.159 18411 10777 1 13 . 1 1 109 109 ALA H H 109 8.595 8.595 8.011 0.584 18411 10778 1 13 . 1 1 110 110 LEU N N 110 117.834 117.834 120.556 -2.722 18411 10779 1 13 . 1 1 110 110 LEU HA H 110 4.137 4.137 4.249 -0.112 18411 10780 1 13 . 1 1 110 110 LEU C C 110 179.153 179.153 178.747 0.406 18411 10781 1 13 . 1 1 110 110 LEU CA C 110 55.164 55.164 55.361 -0.197 18411 10782 1 13 . 1 1 110 110 LEU CB C 110 42.292 42.292 42.038 0.254 18411 10783 1 13 . 1 1 110 110 LEU H H 110 7.814 7.814 8.565 -0.751 18411 10784 1 13 . 1 1 111 111 ARG N N 111 119.787 119.787 123.649 -3.862 18411 10785 1 13 . 1 1 111 111 ARG HA H 111 3.916 3.916 4.322 -0.406 18411 10786 1 13 . 1 1 111 111 ARG C C 111 176.962 176.962 177.293 -0.331 18411 10787 1 13 . 1 1 111 111 ARG CA C 111 60.538 60.538 60.052 0.486 18411 10788 1 13 . 1 1 111 111 ARG CB C 111 30.424 30.424 29.932 0.492 18411 10789 1 13 . 1 1 111 111 ARG H H 111 8.655 8.655 8.953 -0.298 18411 10790 1 13 . 1 1 112 112 ASP N N 112 113.338 113.338 117.430 -4.092 18411 10791 1 13 . 1 1 112 112 ASP HA H 112 4.662 4.662 4.712 -0.050 18411 10792 1 13 . 1 1 112 112 ASP C C 112 176.387 176.387 176.017 0.370 18411 10793 1 13 . 1 1 112 112 ASP CA C 112 52.833 52.833 54.553 -1.720 18411 10794 1 13 . 1 1 112 112 ASP CB C 112 40.135 40.135 40.257 -0.122 18411 10795 1 13 . 1 1 112 112 ASP H H 112 8.205 8.205 8.484 -0.279 18411 10796 1 13 . 1 1 113 113 ALA N N 113 122.885 122.885 122.382 0.503 18411 10797 1 13 . 1 1 113 113 ALA HA H 113 4.347 4.347 4.512 -0.165 18411 10798 1 13 . 1 1 113 113 ALA C C 113 177.740 177.740 176.517 1.223 18411 10799 1 13 . 1 1 113 113 ALA CA C 113 51.983 51.983 51.984 -0.001 18411 10800 1 13 . 1 1 113 113 ALA CB C 113 20.558 20.558 19.718 0.840 18411 10801 1 13 . 1 1 113 113 ALA H H 113 7.919 7.919 7.876 0.043 18411 10802 1 13 . 1 1 114 114 GLY CA C 114 45.480 45.480 44.721 0.758 18411 10803 1 13 . 1 1 115 115 ILE N N 115 122.165 122.165 119.046 3.119 18411 10804 1 13 . 1 1 115 115 ILE HA H 115 4.119 4.119 4.093 0.026 18411 10805 1 13 . 1 1 115 115 ILE CA C 115 60.788 60.788 60.398 0.390 18411 10806 1 13 . 1 1 115 115 ILE CB C 115 39.651 39.651 40.151 -0.500 18411 10807 1 13 . 1 1 115 115 ILE H H 115 8.253 8.253 8.358 -0.105 18411 10808 1 13 . 1 1 116 116 THR N N 116 110.198 110.198 118.749 -8.551 18411 10809 1 13 . 1 1 116 116 THR HA H 116 4.101 4.101 4.818 -0.717 18411 10810 1 13 . 1 1 116 116 THR CA C 116 62.947 62.947 63.564 -0.617 18411 10811 1 13 . 1 1 116 116 THR CB C 116 69.031 69.031 68.541 0.490 18411 10812 1 13 . 1 1 116 116 THR H H 116 7.033 7.033 8.029 -0.996 18411 10813 1 13 . 1 1 117 117 ARG N N 117 130.624 130.624 125.457 5.167 18411 10814 1 13 . 1 1 117 117 ARG HA H 117 4.997 4.997 5.012 -0.015 18411 10815 1 13 . 1 1 117 117 ARG C C 117 173.296 173.296 174.249 -0.953 18411 10816 1 13 . 1 1 117 117 ARG CA C 117 56.468 56.468 55.147 1.321 18411 10817 1 13 . 1 1 117 117 ARG CB C 117 31.949 31.949 35.360 -3.411 18411 10818 1 13 . 1 1 117 117 ARG H H 117 8.250 8.250 8.299 -0.049 18411 10819 1 13 . 1 1 118 118 ASN N N 118 118.226 118.226 120.509 -2.283 18411 10820 1 13 . 1 1 118 118 ASN HA H 118 6.127 6.127 5.620 0.507 18411 10821 1 13 . 1 1 118 118 ASN C C 118 173.805 173.805 173.827 -0.022 18411 10822 1 13 . 1 1 118 118 ASN CA C 118 51.759 51.759 52.806 -1.047 18411 10823 1 13 . 1 1 118 118 ASN CB C 118 41.892 41.892 42.046 -0.154 18411 10824 1 13 . 1 1 118 118 ASN H H 118 7.730 7.730 8.952 -1.222 18411 10825 1 13 . 1 1 119 119 VAL N N 119 120.477 120.477 124.190 -3.713 18411 10826 1 13 . 1 1 119 119 VAL HA H 119 4.766 4.766 5.005 -0.239 18411 10827 1 13 . 1 1 119 119 VAL C C 119 173.809 173.809 173.998 -0.189 18411 10828 1 13 . 1 1 119 119 VAL CA C 119 60.808 60.808 60.943 -0.135 18411 10829 1 13 . 1 1 119 119 VAL CB C 119 35.887 35.887 34.519 1.368 18411 10830 1 13 . 1 1 119 119 VAL H H 119 9.269 9.269 9.231 0.038 18411 10831 1 13 . 1 1 120 120 LEU N N 120 128.017 128.017 129.899 -1.882 18411 10832 1 13 . 1 1 120 120 LEU HA H 120 5.350 5.350 5.147 0.203 18411 10833 1 13 . 1 1 120 120 LEU C C 120 174.606 174.606 174.776 -0.170 18411 10834 1 13 . 1 1 120 120 LEU CA C 120 53.563 53.563 53.486 0.077 18411 10835 1 13 . 1 1 120 120 LEU CB C 120 46.211 46.211 44.966 1.245 18411 10836 1 13 . 1 1 120 120 LEU H H 120 8.829 8.829 8.534 0.295 18411 10837 1 13 . 1 1 121 121 ILE N N 121 131.629 131.629 127.108 4.521 18411 10838 1 13 . 1 1 121 121 ILE HA H 121 4.799 4.799 4.486 0.313 18411 10839 1 13 . 1 1 121 121 ILE C C 121 174.731 174.731 174.744 -0.013 18411 10840 1 13 . 1 1 121 121 ILE CA C 121 60.450 60.450 60.437 0.013 18411 10841 1 13 . 1 1 121 121 ILE CB C 121 41.651 41.651 39.689 1.962 18411 10842 1 13 . 1 1 121 121 ILE H H 121 9.659 9.659 9.337 0.322 18411 10843 1 13 . 1 1 122 122 ASP N N 122 124.197 124.197 126.735 -2.538 18411 10844 1 13 . 1 1 122 122 ASP HA H 122 4.513 4.513 4.771 -0.258 18411 10845 1 13 . 1 1 122 122 ASP C C 122 177.586 177.586 177.468 0.118 18411 10846 1 13 . 1 1 122 122 ASP CA C 122 52.442 52.442 52.955 -0.513 18411 10847 1 13 . 1 1 122 122 ASP CB C 122 41.476 41.476 43.426 -1.950 18411 10848 1 13 . 1 1 122 122 ASP H H 122 9.128 9.128 8.870 0.258 18411 10849 1 13 . 1 1 123 123 ARG N N 123 113.396 113.396 122.159 -8.763 18411 10850 1 13 . 1 1 123 123 ARG HA H 123 4.186 4.186 4.212 -0.026 18411 10851 1 13 . 1 1 123 123 ARG C C 123 178.717 178.717 177.609 1.108 18411 10852 1 13 . 1 1 123 123 ARG CA C 123 58.243 58.243 58.757 -0.514 18411 10853 1 13 . 1 1 123 123 ARG CB C 123 30.783 30.783 29.744 1.039 18411 10854 1 13 . 1 1 123 123 ARG H H 123 7.870 7.870 8.793 -0.923 18411 10855 1 13 . 1 1 124 124 GLU N N 124 117.427 117.427 118.641 -1.214 18411 10856 1 13 . 1 1 124 124 GLU HA H 124 4.310 4.310 4.290 0.020 18411 10857 1 13 . 1 1 124 124 GLU C C 124 176.034 176.034 176.954 -0.920 18411 10858 1 13 . 1 1 124 124 GLU CA C 124 56.164 56.164 56.162 0.002 18411 10859 1 13 . 1 1 124 124 GLU CB C 124 30.541 30.541 29.456 1.085 18411 10860 1 13 . 1 1 124 124 GLU H H 124 8.155 8.155 8.750 -0.595 18411 10861 1 13 . 1 1 125 125 GLY N N 125 105.681 105.681 108.001 -2.320 18411 10862 1 13 . 1 1 125 125 GLY C C 125 174.204 174.204 173.110 1.094 18411 10863 1 13 . 1 1 125 125 GLY CA C 125 45.160 45.160 45.732 -0.572 18411 10864 1 13 . 1 1 125 125 GLY H H 125 8.094 8.094 8.283 -0.189 18411 10865 1 13 . 1 1 126 126 LYS N N 126 122.326 122.326 119.289 3.037 18411 10866 1 13 . 1 1 126 126 LYS HA H 126 4.647 4.647 5.044 -0.397 18411 10867 1 13 . 1 1 126 126 LYS C C 126 176.390 176.390 175.879 0.511 18411 10868 1 13 . 1 1 126 126 LYS CA C 126 55.393 55.393 54.654 0.739 18411 10869 1 13 . 1 1 126 126 LYS CB C 126 33.569 33.569 35.142 -1.573 18411 10870 1 13 . 1 1 126 126 LYS H H 126 8.502 8.502 7.507 0.995 18411 10871 1 13 . 1 1 127 127 ILE N N 127 121.946 121.946 124.329 -2.383 18411 10872 1 13 . 1 1 127 127 ILE HA H 127 4.048 4.048 4.322 -0.274 18411 10873 1 13 . 1 1 127 127 ILE C C 127 177.735 177.735 176.761 0.974 18411 10874 1 13 . 1 1 127 127 ILE CA C 127 63.200 63.200 62.779 0.421 18411 10875 1 13 . 1 1 127 127 ILE CB C 127 38.106 38.106 37.818 0.288 18411 10876 1 13 . 1 1 127 127 ILE H H 127 8.739 8.739 9.258 -0.519 18411 10877 1 13 . 1 1 128 128 VAL N N 128 122.026 122.026 121.747 0.279 18411 10878 1 13 . 1 1 128 128 VAL HA H 128 4.695 4.695 4.399 0.296 18411 10879 1 13 . 1 1 128 128 VAL C C 128 175.968 175.968 175.352 0.616 18411 10880 1 13 . 1 1 128 128 VAL CA C 128 61.535 61.535 61.801 -0.266 18411 10881 1 13 . 1 1 128 128 VAL CB C 128 33.996 33.996 33.108 0.888 18411 10882 1 13 . 1 1 128 128 VAL H H 128 9.397 9.397 8.898 0.499 18411 10883 1 13 . 1 1 129 129 LYS N N 129 121.635 121.635 121.707 -0.072 18411 10884 1 13 . 1 1 129 129 LYS HA H 129 4.359 4.359 4.596 -0.237 18411 10885 1 13 . 1 1 129 129 LYS C C 129 172.896 172.896 174.104 -1.208 18411 10886 1 13 . 1 1 129 129 LYS CA C 129 57.322 57.322 55.135 2.187 18411 10887 1 13 . 1 1 129 129 LYS CB C 129 36.802 36.802 34.219 2.583 18411 10888 1 13 . 1 1 129 129 LYS H H 129 7.708 7.708 7.475 0.233 18411 10889 1 13 . 1 1 130 130 LEU N N 130 126.219 126.219 128.166 -1.947 18411 10890 1 13 . 1 1 130 130 LEU HA H 130 5.140 5.140 4.759 0.381 18411 10891 1 13 . 1 1 130 130 LEU C C 130 176.956 176.956 176.758 0.198 18411 10892 1 13 . 1 1 130 130 LEU CA C 130 53.572 53.572 54.236 -0.664 18411 10893 1 13 . 1 1 130 130 LEU CB C 130 44.700 44.700 42.826 1.874 18411 10894 1 13 . 1 1 130 130 LEU H H 130 8.301 8.301 8.781 -0.480 18411 10895 1 13 . 1 1 131 131 THR N N 131 113.484 113.484 118.131 -4.647 18411 10896 1 13 . 1 1 131 131 THR HA H 131 5.136 5.136 4.673 0.463 18411 10897 1 13 . 1 1 131 131 THR C C 131 175.492 175.492 172.943 2.549 18411 10898 1 13 . 1 1 131 131 THR CA C 131 61.033 61.033 60.035 0.998 18411 10899 1 13 . 1 1 131 131 THR CB C 131 70.922 70.922 70.895 0.026 18411 10900 1 13 . 1 1 131 131 THR H H 131 9.298 9.298 8.635 0.663 18411 10901 1 13 . 1 1 132 132 ARG HA H 132 5.150 5.150 4.787 0.363 18411 10902 1 13 . 1 1 132 132 ARG CA C 132 55.585 55.585 55.376 0.209 18411 10903 1 13 . 1 1 132 132 ARG CB C 132 33.035 33.035 30.646 2.389 18411 10904 1 13 . 1 1 133 133 LEU N N 133 118.967 118.967 120.044 -1.077 18411 10905 1 13 . 1 1 133 133 LEU HA H 133 4.302 4.302 4.260 0.042 18411 10906 1 13 . 1 1 133 133 LEU CA C 133 56.200 56.200 55.423 0.777 18411 10907 1 13 . 1 1 133 133 LEU CB C 133 41.616 41.616 41.206 0.410 18411 10908 1 13 . 1 1 133 133 LEU H H 133 8.167 8.167 8.450 -0.283 18411 10909 1 13 . 1 1 134 134 TYR N N 134 124.816 124.816 123.206 1.610 18411 10910 1 13 . 1 1 134 134 TYR HA H 134 4.963 4.963 4.459 0.504 18411 10911 1 13 . 1 1 134 134 TYR CA C 134 57.154 57.154 58.530 -1.376 18411 10912 1 13 . 1 1 134 134 TYR CB C 134 38.948 38.948 38.278 0.670 18411 10913 1 13 . 1 1 134 134 TYR H H 134 7.805 7.805 8.341 -0.536 18411 10914 1 13 . 1 1 135 135 ASN HA H 135 4.415 4.415 4.566 -0.151 18411 10915 1 13 . 1 1 135 135 ASN CA C 135 51.995 51.995 51.554 0.441 18411 10916 1 13 . 1 1 135 135 ASN CB C 135 40.521 40.521 40.978 -0.457 18411 10917 1 13 . 1 1 136 136 GLU HA H 136 3.694 3.694 3.657 0.037 18411 10918 1 13 . 1 1 136 136 GLU C C 136 178.797 178.797 178.050 0.747 18411 10919 1 13 . 1 1 136 136 GLU CA C 136 61.052 61.052 60.538 0.514 18411 10920 1 13 . 1 1 136 136 GLU CB C 136 29.353 29.353 28.893 0.460 18411 10921 1 13 . 1 1 137 137 GLU N N 137 120.717 120.717 117.680 3.037 18411 10922 1 13 . 1 1 137 137 GLU HA H 137 4.176 4.176 4.077 0.099 18411 10923 1 13 . 1 1 137 137 GLU C C 137 179.707 179.707 179.497 0.210 18411 10924 1 13 . 1 1 137 137 GLU CA C 137 59.800 59.800 59.632 0.168 18411 10925 1 13 . 1 1 137 137 GLU CB C 137 29.284 29.284 29.041 0.243 18411 10926 1 13 . 1 1 137 137 GLU H H 137 8.364 8.364 8.800 -0.436 18411 10927 1 13 . 1 1 138 138 GLU N N 138 122.448 122.448 120.075 2.373 18411 10928 1 13 . 1 1 138 138 GLU HA H 138 4.190 4.190 4.076 0.114 18411 10929 1 13 . 1 1 138 138 GLU C C 138 179.927 179.927 178.984 0.943 18411 10930 1 13 . 1 1 138 138 GLU CA C 138 59.129 59.129 58.910 0.219 18411 10931 1 13 . 1 1 138 138 GLU CB C 138 30.064 30.064 29.486 0.578 18411 10932 1 13 . 1 1 138 138 GLU H H 138 8.448 8.448 7.785 0.663 18411 10933 1 13 . 1 1 139 139 PHE N N 139 122.454 122.454 121.063 1.391 18411 10934 1 13 . 1 1 139 139 PHE HA H 139 4.171 4.171 4.154 0.017 18411 10935 1 13 . 1 1 139 139 PHE C C 139 177.370 177.370 176.761 0.609 18411 10936 1 13 . 1 1 139 139 PHE CA C 139 62.690 62.690 61.440 1.250 18411 10937 1 13 . 1 1 139 139 PHE CB C 139 39.579 39.579 38.950 0.629 18411 10938 1 13 . 1 1 139 139 PHE H H 139 8.895 8.895 8.885 0.010 18411 10939 1 13 . 1 1 140 140 ALA N N 140 120.155 120.155 121.720 -1.565 18411 10940 1 13 . 1 1 140 140 ALA HA H 140 4.100 4.100 3.880 0.220 18411 10941 1 13 . 1 1 140 140 ALA C C 140 181.270 181.270 179.524 1.746 18411 10942 1 13 . 1 1 140 140 ALA CA C 140 55.203 55.203 55.480 -0.277 18411 10943 1 13 . 1 1 140 140 ALA CB C 140 17.716 17.716 17.902 -0.186 18411 10944 1 13 . 1 1 140 140 ALA H H 140 8.240 8.240 8.530 -0.290 18411 10945 1 13 . 1 1 141 141 SER N N 141 114.095 114.095 115.034 -0.939 18411 10946 1 13 . 1 1 141 141 SER HA H 141 4.267 4.267 4.183 0.084 18411 10947 1 13 . 1 1 141 141 SER C C 141 176.895 176.895 176.694 0.201 18411 10948 1 13 . 1 1 141 141 SER CA C 141 61.291 61.291 62.396 -1.105 18411 10949 1 13 . 1 1 141 141 SER CB C 141 62.690 62.690 62.979 -0.289 18411 10950 1 13 . 1 1 141 141 SER H H 141 7.835 7.835 8.136 -0.301 18411 10951 1 13 . 1 1 142 142 LEU N N 142 126.764 126.764 122.851 3.913 18411 10952 1 13 . 1 1 142 142 LEU HA H 142 3.908 3.908 3.970 -0.062 18411 10953 1 13 . 1 1 142 142 LEU C C 142 176.876 176.876 178.077 -1.201 18411 10954 1 13 . 1 1 142 142 LEU CA C 142 58.757 58.757 58.178 0.579 18411 10955 1 13 . 1 1 142 142 LEU CB C 142 41.653 41.653 41.843 -0.190 18411 10956 1 13 . 1 1 142 142 LEU H H 142 7.833 7.833 8.156 -0.323 18411 10957 1 13 . 1 1 143 143 VAL N N 143 119.066 119.066 119.152 -0.086 18411 10958 1 13 . 1 1 143 143 VAL HA H 143 3.174 3.174 3.323 -0.149 18411 10959 1 13 . 1 1 143 143 VAL C C 143 178.479 178.479 177.626 0.853 18411 10960 1 13 . 1 1 143 143 VAL CA C 143 66.864 66.864 66.588 0.276 18411 10961 1 13 . 1 1 143 143 VAL CB C 143 32.350 32.350 31.673 0.677 18411 10962 1 13 . 1 1 143 143 VAL H H 143 8.010 8.010 8.284 -0.274 18411 10963 1 13 . 1 1 144 144 GLN N N 144 118.170 118.170 118.164 0.006 18411 10964 1 13 . 1 1 144 144 GLN HA H 144 4.028 4.028 3.884 0.144 18411 10965 1 13 . 1 1 144 144 GLN C C 144 178.335 178.335 178.223 0.112 18411 10966 1 13 . 1 1 144 144 GLN CA C 144 59.591 59.591 59.221 0.370 18411 10967 1 13 . 1 1 144 144 GLN CB C 144 32.906 32.906 28.402 4.504 18411 10968 1 13 . 1 1 144 144 GLN H H 144 7.935 7.935 7.814 0.121 18411 10969 1 13 . 1 1 145 145 GLN N N 145 119.839 119.839 120.521 -0.682 18411 10970 1 13 . 1 1 145 145 GLN HA H 145 4.029 4.029 4.009 0.020 18411 10971 1 13 . 1 1 145 145 GLN C C 145 178.686 178.686 178.531 0.155 18411 10972 1 13 . 1 1 145 145 GLN CA C 145 59.270 59.270 59.008 0.262 18411 10973 1 13 . 1 1 145 145 GLN CB C 145 27.587 27.587 28.614 -1.027 18411 10974 1 13 . 1 1 145 145 GLN H H 145 7.986 7.986 7.877 0.109 18411 10975 1 13 . 1 1 146 146 ILE N N 146 119.900 119.900 120.434 -0.534 18411 10976 1 13 . 1 1 146 146 ILE HA H 146 3.345 3.345 3.508 -0.163 18411 10977 1 13 . 1 1 146 146 ILE C C 146 177.393 177.393 177.912 -0.519 18411 10978 1 13 . 1 1 146 146 ILE CA C 146 66.902 66.902 65.148 1.754 18411 10979 1 13 . 1 1 146 146 ILE CB C 146 38.281 38.281 37.483 0.798 18411 10980 1 13 . 1 1 146 146 ILE H H 146 8.171 8.171 8.722 -0.551 18411 10981 1 13 . 1 1 147 147 ASN N N 147 116.163 116.163 117.994 -1.831 18411 10982 1 13 . 1 1 147 147 ASN HA H 147 4.196 4.196 4.286 -0.090 18411 10983 1 13 . 1 1 147 147 ASN C C 147 179.035 179.035 178.343 0.692 18411 10984 1 13 . 1 1 147 147 ASN CA C 147 56.348 56.348 56.304 0.044 18411 10985 1 13 . 1 1 147 147 ASN CB C 147 38.062 38.062 37.850 0.212 18411 10986 1 13 . 1 1 147 147 ASN H H 147 7.896 7.896 8.377 -0.481 18411 10987 1 13 . 1 1 148 148 GLU N N 148 118.645 118.645 121.022 -2.377 18411 10988 1 13 . 1 1 148 148 GLU HA H 148 3.970 3.970 4.343 -0.373 18411 10989 1 13 . 1 1 148 148 GLU C C 148 179.964 179.964 178.375 1.589 18411 10990 1 13 . 1 1 148 148 GLU CA C 148 59.340 59.340 58.469 0.870 18411 10991 1 13 . 1 1 148 148 GLU CB C 148 29.572 29.572 29.459 0.113 18411 10992 1 13 . 1 1 148 148 GLU H H 148 8.311 8.311 7.765 0.546 18411 10993 1 13 . 1 1 149 149 MET N N 149 119.218 119.218 118.194 1.024 18411 10994 1 13 . 1 1 149 149 MET HA H 149 4.140 4.140 4.255 -0.115 18411 10995 1 13 . 1 1 149 149 MET C C 149 179.419 179.419 177.605 1.814 18411 10996 1 13 . 1 1 149 149 MET CA C 149 59.040 59.040 57.383 1.657 18411 10997 1 13 . 1 1 149 149 MET CB C 149 35.293 35.293 31.979 3.314 18411 10998 1 13 . 1 1 149 149 MET H H 149 8.527 8.527 8.133 0.394 18411 10999 1 13 . 1 1 150 150 LEU N N 150 118.078 118.078 115.028 3.050 18411 11000 1 13 . 1 1 150 150 LEU HA H 150 4.245 4.245 4.184 0.061 18411 11001 1 13 . 1 1 150 150 LEU C C 150 178.141 178.141 177.831 0.310 18411 11002 1 13 . 1 1 150 150 LEU CA C 150 55.824 55.824 55.477 0.347 18411 11003 1 13 . 1 1 150 150 LEU CB C 150 41.533 41.533 41.077 0.456 18411 11004 1 13 . 1 1 150 150 LEU H H 150 7.917 7.917 7.671 0.246 18411 11005 1 13 . 1 1 151 151 LYS N N 151 120.096 120.096 117.719 2.377 18411 11006 1 13 . 1 1 151 151 LYS HA H 151 4.181 4.181 4.076 0.105 18411 11007 1 13 . 1 1 151 151 LYS C C 151 177.029 177.029 177.384 -0.355 18411 11008 1 13 . 1 1 151 151 LYS CA C 151 57.490 57.490 56.416 1.073 18411 11009 1 13 . 1 1 151 151 LYS CB C 151 32.921 32.921 33.444 -0.523 18411 11010 1 13 . 1 1 151 151 LYS H H 151 7.466 7.466 7.568 -0.102 18411 11011 1 13 . 1 1 152 152 GLU N N 152 120.188 120.188 118.967 1.221 18411 11012 1 13 . 1 1 152 152 GLU HA H 152 4.264 4.264 3.933 0.331 18411 11013 1 13 . 1 1 152 152 GLU C C 152 177.259 177.259 177.331 -0.072 18411 11014 1 13 . 1 1 152 152 GLU CA C 152 57.070 57.070 59.067 -1.997 18411 11015 1 13 . 1 1 152 152 GLU CB C 152 30.385 30.385 28.938 1.447 18411 11016 1 13 . 1 1 152 152 GLU H H 152 7.820 7.820 8.639 -0.819 18411 11017 1 13 . 1 1 153 153 GLY N N 153 109.046 109.046 104.909 4.137 18411 11018 1 13 . 1 1 153 153 GLY C C 153 174.204 174.204 174.661 -0.457 18411 11019 1 13 . 1 1 153 153 GLY CA C 153 45.327 45.327 45.301 0.026 18411 11020 1 13 . 1 1 153 153 GLY H H 153 8.278 8.278 8.271 0.007 18411 11021 1 13 . 1 1 158 158 HIS HA H 158 4.606 4.606 5.004 -0.398 18411 11022 1 13 . 1 1 158 158 HIS C C 158 174.423 174.423 173.661 0.762 18411 11023 1 13 . 1 1 158 158 HIS CA C 158 56.235 56.235 56.634 -0.399 18411 11024 1 13 . 1 1 158 158 HIS CB C 158 31.028 31.028 30.342 0.686 18411 11025 1 14 . 1 1 3 3 LEU HA H 3 3.930 3.930 4.650 -0.720 18411 11026 1 14 . 1 1 3 3 LEU CA C 3 58.669 58.669 54.695 3.974 18411 11027 1 14 . 1 1 3 3 LEU CB C 3 42.010 42.010 42.655 -0.645 18411 11028 1 14 . 1 1 4 4 GLY C C 4 173.604 173.604 173.644 -0.040 18411 11029 1 14 . 1 1 4 4 GLY CA C 4 46.072 46.072 45.098 0.974 18411 11030 1 14 . 1 1 5 5 TYR N N 5 116.195 116.195 120.457 -4.262 18411 11031 1 14 . 1 1 5 5 TYR HA H 5 4.769 4.769 4.356 0.413 18411 11032 1 14 . 1 1 5 5 TYR C C 5 177.898 177.898 176.953 0.945 18411 11033 1 14 . 1 1 5 5 TYR CA C 5 60.102 60.102 59.243 0.859 18411 11034 1 14 . 1 1 5 5 TYR CB C 5 39.615 39.615 38.650 0.965 18411 11035 1 14 . 1 1 5 5 TYR H H 5 7.849 7.849 7.834 0.015 18411 11036 1 14 . 1 1 6 6 ILE N N 6 115.338 115.338 119.176 -3.838 18411 11037 1 14 . 1 1 6 6 ILE HA H 6 4.514 4.514 4.408 0.106 18411 11038 1 14 . 1 1 6 6 ILE C C 6 175.977 175.977 175.540 0.437 18411 11039 1 14 . 1 1 6 6 ILE CA C 6 61.623 61.623 61.849 -0.226 18411 11040 1 14 . 1 1 6 6 ILE CB C 6 38.270 38.270 38.976 -0.706 18411 11041 1 14 . 1 1 6 6 ILE H H 6 8.687 8.687 7.920 0.767 18411 11042 1 14 . 1 1 7 7 VAL N N 7 113.122 113.122 120.388 -7.266 18411 11043 1 14 . 1 1 7 7 VAL HA H 7 4.730 4.730 4.485 0.245 18411 11044 1 14 . 1 1 7 7 VAL C C 7 174.331 174.331 175.360 -1.029 18411 11045 1 14 . 1 1 7 7 VAL CA C 7 58.867 58.867 60.553 -1.686 18411 11046 1 14 . 1 1 7 7 VAL CB C 7 34.475 34.475 33.158 1.317 18411 11047 1 14 . 1 1 7 7 VAL H H 7 6.845 6.845 7.349 -0.504 18411 11048 1 14 . 1 1 8 8 ARG N N 8 117.597 117.597 124.318 -6.721 18411 11049 1 14 . 1 1 8 8 ARG HA H 8 4.539 4.539 4.654 -0.115 18411 11050 1 14 . 1 1 8 8 ARG C C 8 175.618 175.618 175.666 -0.048 18411 11051 1 14 . 1 1 8 8 ARG CA C 8 53.717 53.717 53.413 0.304 18411 11052 1 14 . 1 1 8 8 ARG CB C 8 34.126 34.126 33.391 0.735 18411 11053 1 14 . 1 1 8 8 ARG H H 8 7.978 7.978 8.503 -0.525 18411 11054 1 14 . 1 1 9 9 ILE N N 9 118.377 118.377 120.414 -2.037 18411 11055 1 14 . 1 1 9 9 ILE HA H 9 3.465 3.465 3.966 -0.501 18411 11056 1 14 . 1 1 9 9 ILE C C 9 177.771 177.771 177.582 0.189 18411 11057 1 14 . 1 1 9 9 ILE CA C 9 62.350 62.350 62.841 -0.491 18411 11058 1 14 . 1 1 9 9 ILE CB C 9 37.049 37.049 37.096 -0.047 18411 11059 1 14 . 1 1 9 9 ILE H H 9 8.085 8.085 8.375 -0.290 18411 11060 1 14 . 1 1 10 10 GLY N N 10 115.204 115.204 115.811 -0.607 18411 11061 1 14 . 1 1 10 10 GLY C C 10 174.235 174.235 174.160 0.075 18411 11062 1 14 . 1 1 10 10 GLY CA C 10 44.763 44.763 44.612 0.151 18411 11063 1 14 . 1 1 10 10 GLY H H 10 9.149 9.149 9.132 0.017 18411 11064 1 14 . 1 1 11 11 GLU N N 11 119.157 119.157 121.060 -1.903 18411 11065 1 14 . 1 1 11 11 GLU HA H 11 4.392 4.392 4.427 -0.035 18411 11066 1 14 . 1 1 11 11 GLU C C 11 176.729 176.729 176.229 0.500 18411 11067 1 14 . 1 1 11 11 GLU CA C 11 55.108 55.108 55.674 -0.566 18411 11068 1 14 . 1 1 11 11 GLU CB C 11 31.473 31.473 30.614 0.859 18411 11069 1 14 . 1 1 11 11 GLU H H 11 7.631 7.631 7.757 -0.126 18411 11070 1 14 . 1 1 12 12 MET N N 12 119.646 119.646 121.409 -1.763 18411 11071 1 14 . 1 1 12 12 MET HA H 12 4.593 4.593 4.572 0.021 18411 11072 1 14 . 1 1 12 12 MET C C 12 177.162 177.162 176.467 0.695 18411 11073 1 14 . 1 1 12 12 MET CA C 12 54.475 54.475 55.565 -1.089 18411 11074 1 14 . 1 1 12 12 MET CB C 12 30.749 30.749 33.337 -2.588 18411 11075 1 14 . 1 1 12 12 MET H H 12 8.566 8.566 8.531 0.035 18411 11076 1 14 . 1 1 13 13 ALA N N 13 129.735 129.735 127.988 1.747 18411 11077 1 14 . 1 1 13 13 ALA HA H 13 4.293 4.293 4.473 -0.180 18411 11078 1 14 . 1 1 13 13 ALA C C 13 175.992 175.992 175.559 0.433 18411 11079 1 14 . 1 1 13 13 ALA CA C 13 50.676 50.676 50.128 0.548 18411 11080 1 14 . 1 1 13 13 ALA CB C 13 18.125 18.125 18.746 -0.621 18411 11081 1 14 . 1 1 13 13 ALA H H 13 8.626 8.626 8.721 -0.095 18411 11082 1 14 . 1 1 14 14 PRO HA H 14 4.253 4.253 4.337 -0.084 18411 11083 1 14 . 1 1 14 14 PRO C C 14 176.066 176.066 175.844 0.222 18411 11084 1 14 . 1 1 14 14 PRO CA C 14 63.478 63.478 62.736 0.742 18411 11085 1 14 . 1 1 14 14 PRO CB C 14 32.987 32.987 32.162 0.825 18411 11086 1 14 . 1 1 15 15 ASP N N 15 123.075 123.075 122.356 0.719 18411 11087 1 14 . 1 1 15 15 ASP HA H 15 4.700 4.700 4.451 0.249 18411 11088 1 14 . 1 1 15 15 ASP C C 15 176.067 176.067 175.163 0.904 18411 11089 1 14 . 1 1 15 15 ASP CA C 15 53.628 53.628 54.886 -1.258 18411 11090 1 14 . 1 1 15 15 ASP CB C 15 41.613 41.613 41.994 -0.381 18411 11091 1 14 . 1 1 15 15 ASP H H 15 8.373 8.373 8.450 -0.077 18411 11092 1 14 . 1 1 16 16 PHE N N 16 114.256 114.256 118.281 -4.025 18411 11093 1 14 . 1 1 16 16 PHE HA H 16 4.869 4.869 4.898 -0.029 18411 11094 1 14 . 1 1 16 16 PHE C C 16 173.028 173.028 174.030 -1.002 18411 11095 1 14 . 1 1 16 16 PHE CA C 16 56.721 56.721 56.398 0.323 18411 11096 1 14 . 1 1 16 16 PHE CB C 16 40.560 40.560 41.720 -1.160 18411 11097 1 14 . 1 1 16 16 PHE H H 16 7.950 7.950 7.666 0.284 18411 11098 1 14 . 1 1 17 17 THR N N 17 116.459 116.459 118.615 -2.156 18411 11099 1 14 . 1 1 17 17 THR HA H 17 5.244 5.244 4.855 0.389 18411 11100 1 14 . 1 1 17 17 THR C C 17 172.722 172.722 174.027 -1.305 18411 11101 1 14 . 1 1 17 17 THR CA C 17 62.061 62.061 62.056 0.005 18411 11102 1 14 . 1 1 17 17 THR CB C 17 70.882 70.882 68.793 2.090 18411 11103 1 14 . 1 1 17 17 THR H H 17 8.596 8.596 8.763 -0.167 18411 11104 1 14 . 1 1 18 18 ILE N N 18 128.165 128.165 127.960 0.205 18411 11105 1 14 . 1 1 18 18 ILE HA H 18 4.995 4.995 4.551 0.444 18411 11106 1 14 . 1 1 18 18 ILE C C 18 172.309 172.309 174.129 -1.820 18411 11107 1 14 . 1 1 18 18 ILE CA C 18 59.123 59.123 59.958 -0.835 18411 11108 1 14 . 1 1 18 18 ILE CB C 18 43.984 43.984 41.225 2.759 18411 11109 1 14 . 1 1 18 18 ILE H H 18 9.574 9.574 8.737 0.837 18411 11110 1 14 . 1 1 19 19 THR N N 19 124.473 124.473 124.706 -0.233 18411 11111 1 14 . 1 1 19 19 THR HA H 19 4.821 4.821 4.854 -0.033 18411 11112 1 14 . 1 1 19 19 THR C C 19 174.104 174.104 174.458 -0.354 18411 11113 1 14 . 1 1 19 19 THR CA C 19 62.316 62.316 62.049 0.267 18411 11114 1 14 . 1 1 19 19 THR CB C 19 69.287 69.287 68.974 0.313 18411 11115 1 14 . 1 1 19 19 THR H H 19 9.081 9.081 8.752 0.329 18411 11116 1 14 . 1 1 20 20 LEU N N 20 125.167 125.167 127.497 -2.330 18411 11117 1 14 . 1 1 20 20 LEU HA H 20 5.082 5.082 4.688 0.394 18411 11118 1 14 . 1 1 20 20 LEU C C 20 181.023 181.023 179.449 1.574 18411 11119 1 14 . 1 1 20 20 LEU CA C 20 54.191 54.191 54.933 -0.742 18411 11120 1 14 . 1 1 20 20 LEU CB C 20 42.219 42.219 42.531 -0.311 18411 11121 1 14 . 1 1 20 20 LEU H H 20 9.227 9.227 9.106 0.121 18411 11122 1 14 . 1 1 21 21 THR N N 21 109.887 109.887 114.287 -4.400 18411 11123 1 14 . 1 1 21 21 THR HA H 21 3.831 3.831 4.022 -0.191 18411 11124 1 14 . 1 1 21 21 THR C C 21 174.716 174.716 175.013 -0.297 18411 11125 1 14 . 1 1 21 21 THR CA C 21 64.992 64.992 65.619 -0.627 18411 11126 1 14 . 1 1 21 21 THR CB C 21 68.529 68.529 68.445 0.084 18411 11127 1 14 . 1 1 21 21 THR H H 21 8.603 8.603 8.513 0.090 18411 11128 1 14 . 1 1 22 22 ASP N N 22 117.311 117.311 118.541 -1.230 18411 11129 1 14 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.647 -0.053 18411 11130 1 14 . 1 1 22 22 ASP C C 22 177.771 177.771 176.629 1.142 18411 11131 1 14 . 1 1 22 22 ASP CA C 22 53.173 53.173 53.455 -0.282 18411 11132 1 14 . 1 1 22 22 ASP CB C 22 40.449 40.449 39.755 0.694 18411 11133 1 14 . 1 1 22 22 ASP H H 22 7.530 7.530 7.814 -0.284 18411 11134 1 14 . 1 1 23 23 GLY N N 23 108.847 108.847 109.383 -0.536 18411 11135 1 14 . 1 1 23 23 GLY C C 23 174.806 174.806 173.858 0.948 18411 11136 1 14 . 1 1 23 23 GLY CA C 23 45.028 45.028 45.506 -0.478 18411 11137 1 14 . 1 1 23 23 GLY H H 23 8.203 8.203 8.002 0.201 18411 11138 1 14 . 1 1 24 24 LYS N N 24 122.092 122.092 120.478 1.614 18411 11139 1 14 . 1 1 24 24 LYS HA H 24 4.267 4.267 4.528 -0.261 18411 11140 1 14 . 1 1 24 24 LYS C C 24 175.350 175.350 175.648 -0.298 18411 11141 1 14 . 1 1 24 24 LYS CA C 24 57.060 57.060 54.370 2.690 18411 11142 1 14 . 1 1 24 24 LYS CB C 24 33.271 33.271 33.131 0.140 18411 11143 1 14 . 1 1 24 24 LYS H H 24 7.881 7.881 8.153 -0.272 18411 11144 1 14 . 1 1 25 25 GLN N N 25 119.585 119.585 124.899 -5.314 18411 11145 1 14 . 1 1 25 25 GLN HA H 25 5.561 5.561 5.237 0.324 18411 11146 1 14 . 1 1 25 25 GLN C C 25 176.631 176.631 175.535 1.096 18411 11147 1 14 . 1 1 25 25 GLN CA C 25 54.572 54.572 55.398 -0.826 18411 11148 1 14 . 1 1 25 25 GLN CB C 25 31.621 31.621 29.792 1.829 18411 11149 1 14 . 1 1 25 25 GLN H H 25 8.365 8.365 8.747 -0.382 18411 11150 1 14 . 1 1 26 26 VAL N N 26 123.115 123.115 126.811 -3.696 18411 11151 1 14 . 1 1 26 26 VAL HA H 26 4.466 4.466 4.515 -0.049 18411 11152 1 14 . 1 1 26 26 VAL C C 26 174.390 174.390 174.128 0.262 18411 11153 1 14 . 1 1 26 26 VAL CA C 26 61.142 61.142 60.022 1.120 18411 11154 1 14 . 1 1 26 26 VAL CB C 26 35.962 35.962 36.124 -0.162 18411 11155 1 14 . 1 1 26 26 VAL H H 26 9.069 9.069 8.954 0.115 18411 11156 1 14 . 1 1 27 27 THR N N 27 122.509 122.509 122.197 0.312 18411 11157 1 14 . 1 1 27 27 THR HA H 27 5.437 5.437 4.887 0.550 18411 11158 1 14 . 1 1 27 27 THR C C 27 176.330 176.330 175.626 0.704 18411 11159 1 14 . 1 1 27 27 THR CA C 27 60.068 60.068 60.563 -0.495 18411 11160 1 14 . 1 1 27 27 THR CB C 27 70.655 70.655 69.535 1.120 18411 11161 1 14 . 1 1 27 27 THR H H 27 8.256 8.256 8.334 -0.078 18411 11162 1 14 . 1 1 28 28 LEU N N 28 131.816 131.816 123.549 8.267 18411 11163 1 14 . 1 1 28 28 LEU HA H 28 3.607 3.607 3.766 -0.159 18411 11164 1 14 . 1 1 28 28 LEU C C 28 180.093 180.093 178.100 1.993 18411 11165 1 14 . 1 1 28 28 LEU CA C 28 59.264 59.264 57.134 2.130 18411 11166 1 14 . 1 1 28 28 LEU CB C 28 39.396 39.396 41.505 -2.109 18411 11167 1 14 . 1 1 28 28 LEU H H 28 8.311 8.311 8.268 0.043 18411 11168 1 14 . 1 1 29 29 SER N N 29 114.727 114.727 112.950 1.777 18411 11169 1 14 . 1 1 29 29 SER HA H 29 4.003 4.003 4.196 -0.193 18411 11170 1 14 . 1 1 29 29 SER C C 29 177.762 177.762 175.477 2.285 18411 11171 1 14 . 1 1 29 29 SER CA C 29 60.896 60.896 60.843 0.053 18411 11172 1 14 . 1 1 29 29 SER CB C 29 61.091 61.091 62.874 -1.783 18411 11173 1 14 . 1 1 29 29 SER H H 29 9.491 9.491 8.642 0.849 18411 11174 1 14 . 1 1 30 30 SER N N 30 119.100 119.100 115.317 3.783 18411 11175 1 14 . 1 1 30 30 SER HA H 30 4.476 4.476 4.356 0.120 18411 11176 1 14 . 1 1 30 30 SER C C 30 175.104 175.104 174.912 0.192 18411 11177 1 14 . 1 1 30 30 SER CA C 30 60.661 60.661 60.142 0.520 18411 11178 1 14 . 1 1 30 30 SER CB C 30 63.174 63.174 63.661 -0.487 18411 11179 1 14 . 1 1 30 30 SER H H 30 7.878 7.878 7.589 0.289 18411 11180 1 14 . 1 1 31 31 LEU N N 31 121.415 121.415 119.447 1.968 18411 11181 1 14 . 1 1 31 31 LEU HA H 31 4.258 4.258 4.396 -0.138 18411 11182 1 14 . 1 1 31 31 LEU C C 31 175.710 175.710 176.578 -0.868 18411 11183 1 14 . 1 1 31 31 LEU CA C 31 53.804 53.804 54.287 -0.483 18411 11184 1 14 . 1 1 31 31 LEU CB C 31 41.285 41.285 42.102 -0.817 18411 11185 1 14 . 1 1 31 31 LEU H H 31 8.026 8.026 7.834 0.192 18411 11186 1 14 . 1 1 32 32 ARG N N 32 119.061 119.061 119.480 -0.419 18411 11187 1 14 . 1 1 32 32 ARG HA H 32 4.411 4.411 3.897 0.514 18411 11188 1 14 . 1 1 32 32 ARG C C 32 177.585 177.585 177.730 -0.145 18411 11189 1 14 . 1 1 32 32 ARG CA C 32 57.590 57.590 58.026 -0.436 18411 11190 1 14 . 1 1 32 32 ARG CB C 32 29.497 29.497 30.366 -0.869 18411 11191 1 14 . 1 1 32 32 ARG H H 32 6.788 6.788 7.269 -0.481 18411 11192 1 14 . 1 1 33 33 GLY N N 33 114.033 114.033 110.691 3.342 18411 11193 1 14 . 1 1 33 33 GLY C C 33 173.456 173.456 173.930 -0.474 18411 11194 1 14 . 1 1 33 33 GLY CA C 33 44.684 44.684 45.734 -1.050 18411 11195 1 14 . 1 1 33 33 GLY H H 33 9.120 9.120 8.503 0.617 18411 11196 1 14 . 1 1 34 34 LYS N N 34 120.270 120.270 120.220 0.050 18411 11197 1 14 . 1 1 34 34 LYS HA H 34 4.606 4.606 4.776 -0.170 18411 11198 1 14 . 1 1 34 34 LYS C C 34 175.350 175.350 175.914 -0.564 18411 11199 1 14 . 1 1 34 34 LYS CA C 34 54.786 54.786 54.287 0.499 18411 11200 1 14 . 1 1 34 34 LYS CB C 34 34.125 34.125 35.647 -1.522 18411 11201 1 14 . 1 1 34 34 LYS H H 34 8.146 8.146 7.518 0.628 18411 11202 1 14 . 1 1 35 35 VAL N N 35 122.059 122.059 119.095 2.964 18411 11203 1 14 . 1 1 35 35 VAL HA H 35 4.020 4.020 4.264 -0.244 18411 11204 1 14 . 1 1 35 35 VAL C C 35 174.699 174.699 174.337 0.362 18411 11205 1 14 . 1 1 35 35 VAL CA C 35 63.108 63.108 61.529 1.579 18411 11206 1 14 . 1 1 35 35 VAL CB C 35 33.022 33.022 31.794 1.228 18411 11207 1 14 . 1 1 35 35 VAL H H 35 8.757 8.757 8.763 -0.006 18411 11208 1 14 . 1 1 36 36 VAL N N 36 125.815 125.815 127.903 -2.088 18411 11209 1 14 . 1 1 36 36 VAL HA H 36 4.856 4.856 4.312 0.544 18411 11210 1 14 . 1 1 36 36 VAL C C 36 174.622 174.622 174.476 0.146 18411 11211 1 14 . 1 1 36 36 VAL CA C 36 60.078 60.078 61.487 -1.409 18411 11212 1 14 . 1 1 36 36 VAL CB C 36 35.605 35.605 32.355 3.251 18411 11213 1 14 . 1 1 36 36 VAL H H 36 8.485 8.485 8.754 -0.269 18411 11214 1 14 . 1 1 37 37 MET N N 37 126.478 126.478 128.457 -1.979 18411 11215 1 14 . 1 1 37 37 MET HA H 37 5.383 5.383 5.118 0.265 18411 11216 1 14 . 1 1 37 37 MET C C 37 173.473 173.473 174.056 -0.583 18411 11217 1 14 . 1 1 37 37 MET CA C 37 53.661 53.661 53.859 -0.198 18411 11218 1 14 . 1 1 37 37 MET CB C 37 35.948 35.948 34.639 1.309 18411 11219 1 14 . 1 1 37 37 MET H H 37 8.694 8.694 9.001 -0.307 18411 11220 1 14 . 1 1 38 38 LEU N N 38 124.275 124.275 124.998 -0.723 18411 11221 1 14 . 1 1 38 38 LEU HA H 38 5.100 5.100 5.363 -0.263 18411 11222 1 14 . 1 1 38 38 LEU C C 38 175.828 175.828 174.903 0.925 18411 11223 1 14 . 1 1 38 38 LEU CA C 38 52.144 52.144 53.186 -1.042 18411 11224 1 14 . 1 1 38 38 LEU CB C 38 42.898 42.898 46.409 -3.511 18411 11225 1 14 . 1 1 38 38 LEU H H 38 9.181 9.181 9.035 0.146 18411 11226 1 14 . 1 1 39 39 GLN N N 39 124.390 124.390 121.100 3.290 18411 11227 1 14 . 1 1 39 39 GLN HA H 39 5.369 5.369 5.042 0.327 18411 11228 1 14 . 1 1 39 39 GLN C C 39 175.696 175.696 173.853 1.843 18411 11229 1 14 . 1 1 39 39 GLN CA C 39 54.025 54.025 54.008 0.017 18411 11230 1 14 . 1 1 39 39 GLN CB C 39 28.735 28.735 33.336 -4.601 18411 11231 1 14 . 1 1 39 39 GLN H H 39 8.325 8.325 8.042 0.283 18411 11232 1 14 . 1 1 40 40 PHE N N 40 128.800 128.800 126.868 1.932 18411 11233 1 14 . 1 1 40 40 PHE HA H 40 5.182 5.182 5.806 -0.624 18411 11234 1 14 . 1 1 40 40 PHE C C 40 175.432 175.432 175.479 -0.047 18411 11235 1 14 . 1 1 40 40 PHE CA C 40 59.370 59.370 56.910 2.460 18411 11236 1 14 . 1 1 40 40 PHE CB C 40 39.256 39.256 40.858 -1.603 18411 11237 1 14 . 1 1 40 40 PHE H H 40 8.899 8.899 8.522 0.377 18411 11238 1 14 . 1 1 41 41 THR N N 41 117.616 117.616 114.981 2.635 18411 11239 1 14 . 1 1 41 41 THR HA H 41 5.274 5.274 4.571 0.703 18411 11240 1 14 . 1 1 41 41 THR C C 41 170.795 170.795 171.927 -1.132 18411 11241 1 14 . 1 1 41 41 THR CA C 41 59.448 59.448 59.092 0.357 18411 11242 1 14 . 1 1 41 41 THR CB C 41 70.892 70.892 70.680 0.212 18411 11243 1 14 . 1 1 41 41 THR H H 41 8.589 8.589 8.719 -0.130 18411 11244 1 14 . 1 1 42 42 ALA N N 42 122.005 122.005 120.520 1.485 18411 11245 1 14 . 1 1 42 42 ALA HA H 42 4.162 4.162 4.680 -0.518 18411 11246 1 14 . 1 1 42 42 ALA C C 42 177.618 177.618 176.691 0.927 18411 11247 1 14 . 1 1 42 42 ALA CA C 42 52.454 52.454 50.480 1.974 18411 11248 1 14 . 1 1 42 42 ALA CB C 42 20.704 20.704 21.540 -0.836 18411 11249 1 14 . 1 1 42 42 ALA H H 42 7.201 7.201 7.592 -0.391 18411 11250 1 14 . 1 1 43 43 SER N N 43 117.426 117.426 117.213 0.213 18411 11251 1 14 . 1 1 43 43 SER HA H 43 1.542 1.542 3.966 -2.424 18411 11252 1 14 . 1 1 43 43 SER C C 43 174.845 174.845 175.251 -0.406 18411 11253 1 14 . 1 1 43 43 SER CA C 43 60.202 60.202 61.157 -0.955 18411 11254 1 14 . 1 1 43 43 SER CB C 43 63.040 63.040 63.411 -0.371 18411 11255 1 14 . 1 1 43 43 SER H H 43 9.472 9.472 9.296 0.176 18411 11256 1 14 . 1 1 44 44 TRP N N 44 116.512 116.512 117.311 -0.799 18411 11257 1 14 . 1 1 44 44 TRP HA H 44 4.495 4.495 4.806 -0.311 18411 11258 1 14 . 1 1 44 44 TRP C C 44 176.297 176.297 175.726 0.571 18411 11259 1 14 . 1 1 44 44 TRP CA C 44 53.405 53.405 54.269 -0.864 18411 11260 1 14 . 1 1 44 44 TRP CB C 44 29.450 29.450 28.758 0.692 18411 11261 1 14 . 1 1 44 44 TRP H H 44 6.345 6.345 7.046 -0.701 18411 11262 1 14 . 1 1 45 45 CYS N N 45 125.015 125.015 122.156 2.859 18411 11263 1 14 . 1 1 45 45 CYS HA H 45 4.501 4.501 4.311 0.190 18411 11264 1 14 . 1 1 45 45 CYS C C 45 176.409 176.409 175.953 0.456 18411 11265 1 14 . 1 1 45 45 CYS CA C 45 58.904 58.904 59.765 -0.861 18411 11266 1 14 . 1 1 45 45 CYS CB C 45 28.203 28.203 26.841 1.362 18411 11267 1 14 . 1 1 45 45 CYS H H 45 6.982 6.982 7.160 -0.178 18411 11268 1 14 . 1 1 46 46 GLY CA C 46 47.225 47.225 46.976 0.249 18411 11269 1 14 . 1 1 47 47 VAL HA H 47 3.804 3.804 3.821 -0.017 18411 11270 1 14 . 1 1 47 47 VAL CA C 47 66.661 66.661 65.020 1.641 18411 11271 1 14 . 1 1 47 47 VAL CB C 47 31.506 31.506 31.385 0.121 18411 11272 1 14 . 1 1 48 48 CYS HA H 48 3.875 3.875 4.440 -0.565 18411 11273 1 14 . 1 1 48 48 CYS C C 48 177.961 177.961 176.285 1.676 18411 11274 1 14 . 1 1 48 48 CYS CA C 48 65.053 65.053 61.824 3.229 18411 11275 1 14 . 1 1 48 48 CYS CB C 48 28.741 28.741 26.322 2.419 18411 11276 1 14 . 1 1 49 49 ARG N N 49 115.039 115.039 119.043 -4.004 18411 11277 1 14 . 1 1 49 49 ARG HA H 49 3.898 3.898 4.064 -0.166 18411 11278 1 14 . 1 1 49 49 ARG C C 49 177.871 177.871 177.028 0.843 18411 11279 1 14 . 1 1 49 49 ARG CA C 49 59.837 59.837 58.385 1.452 18411 11280 1 14 . 1 1 49 49 ARG CB C 49 30.585 30.585 29.649 0.935 18411 11281 1 14 . 1 1 49 49 ARG H H 49 7.658 7.658 7.556 0.102 18411 11282 1 14 . 1 1 50 50 LYS N N 50 117.909 117.909 118.425 -0.516 18411 11283 1 14 . 1 1 50 50 LYS HA H 50 4.098 4.098 4.090 0.008 18411 11284 1 14 . 1 1 50 50 LYS C C 50 177.723 177.723 177.916 -0.193 18411 11285 1 14 . 1 1 50 50 LYS CA C 50 58.198 58.198 58.711 -0.513 18411 11286 1 14 . 1 1 50 50 LYS CB C 50 32.803 32.803 32.946 -0.143 18411 11287 1 14 . 1 1 50 50 LYS H H 50 7.385 7.385 7.767 -0.382 18411 11288 1 14 . 1 1 51 51 GLU N N 51 117.196 117.196 119.816 -2.620 18411 11289 1 14 . 1 1 51 51 GLU HA H 51 3.453 3.453 3.662 -0.209 18411 11290 1 14 . 1 1 51 51 GLU C C 51 179.194 179.194 179.078 0.116 18411 11291 1 14 . 1 1 51 51 GLU CA C 51 57.754 57.754 58.982 -1.228 18411 11292 1 14 . 1 1 51 51 GLU CB C 51 29.825 29.825 29.182 0.643 18411 11293 1 14 . 1 1 51 51 GLU H H 51 7.764 7.764 7.471 0.293 18411 11294 1 14 . 1 1 52 52 MET N N 52 118.785 118.785 119.662 -0.877 18411 11295 1 14 . 1 1 52 52 MET HA H 52 3.979 3.979 4.677 -0.698 18411 11296 1 14 . 1 1 52 52 MET C C 52 174.346 174.346 177.361 -3.015 18411 11297 1 14 . 1 1 52 52 MET CA C 52 62.384 62.384 58.769 3.615 18411 11298 1 14 . 1 1 52 52 MET CB C 52 32.805 32.805 29.645 3.160 18411 11299 1 14 . 1 1 52 52 MET H H 52 8.100 8.100 8.890 -0.790 18411 11300 1 14 . 1 1 53 53 PRO HA H 53 4.299 4.299 4.538 -0.239 18411 11301 1 14 . 1 1 53 53 PRO C C 53 179.242 179.242 179.283 -0.041 18411 11302 1 14 . 1 1 53 53 PRO CA C 53 65.708 65.708 65.527 0.181 18411 11303 1 14 . 1 1 53 53 PRO CB C 53 31.570 31.570 31.205 0.365 18411 11304 1 14 . 1 1 54 54 PHE N N 54 116.067 116.067 118.532 -2.465 18411 11305 1 14 . 1 1 54 54 PHE HA H 54 4.372 4.372 4.304 0.068 18411 11306 1 14 . 1 1 54 54 PHE C C 54 178.283 178.283 178.704 -0.421 18411 11307 1 14 . 1 1 54 54 PHE CA C 54 61.249 61.249 62.314 -1.065 18411 11308 1 14 . 1 1 54 54 PHE CB C 54 38.366 38.366 38.541 -0.174 18411 11309 1 14 . 1 1 54 54 PHE H H 54 7.251 7.251 7.790 -0.539 18411 11310 1 14 . 1 1 55 55 ILE N N 55 122.051 122.051 119.411 2.640 18411 11311 1 14 . 1 1 55 55 ILE HA H 55 3.746 3.746 4.029 -0.283 18411 11312 1 14 . 1 1 55 55 ILE C C 55 179.005 179.005 178.080 0.925 18411 11313 1 14 . 1 1 55 55 ILE CA C 55 66.678 66.678 66.026 0.652 18411 11314 1 14 . 1 1 55 55 ILE CB C 55 37.449 37.449 37.740 -0.291 18411 11315 1 14 . 1 1 55 55 ILE H H 55 7.935 7.935 9.104 -1.169 18411 11316 1 14 . 1 1 56 56 GLU N N 56 120.941 120.941 120.595 0.346 18411 11317 1 14 . 1 1 56 56 GLU HA H 56 4.578 4.578 4.408 0.170 18411 11318 1 14 . 1 1 56 56 GLU C C 56 177.034 177.034 179.000 -1.966 18411 11319 1 14 . 1 1 56 56 GLU CA C 56 59.607 59.607 60.023 -0.416 18411 11320 1 14 . 1 1 56 56 GLU CB C 56 29.640 29.640 29.561 0.078 18411 11321 1 14 . 1 1 56 56 GLU H H 56 8.657 8.657 7.961 0.696 18411 11322 1 14 . 1 1 57 57 LYS N N 57 114.712 114.712 119.229 -4.517 18411 11323 1 14 . 1 1 57 57 LYS HA H 57 4.165 4.165 4.008 0.157 18411 11324 1 14 . 1 1 57 57 LYS C C 57 177.831 177.831 178.886 -1.055 18411 11325 1 14 . 1 1 57 57 LYS CA C 57 59.905 59.905 59.573 0.332 18411 11326 1 14 . 1 1 57 57 LYS CB C 57 33.873 33.873 32.541 1.332 18411 11327 1 14 . 1 1 57 57 LYS H H 57 7.719 7.719 8.367 -0.648 18411 11328 1 14 . 1 1 58 58 ASP N N 58 114.953 114.953 115.793 -0.840 18411 11329 1 14 . 1 1 58 58 ASP HA H 58 4.843 4.843 4.679 0.164 18411 11330 1 14 . 1 1 58 58 ASP C C 58 176.515 176.515 177.307 -0.792 18411 11331 1 14 . 1 1 58 58 ASP CA C 58 56.125 56.125 56.428 -0.304 18411 11332 1 14 . 1 1 58 58 ASP CB C 58 42.087 42.087 42.801 -0.714 18411 11333 1 14 . 1 1 58 58 ASP H H 58 8.783 8.783 8.402 0.381 18411 11334 1 14 . 1 1 59 59 ILE N N 59 115.807 115.807 118.176 -2.369 18411 11335 1 14 . 1 1 59 59 ILE HA H 59 4.268 4.268 4.222 0.046 18411 11336 1 14 . 1 1 59 59 ILE C C 59 176.369 176.369 176.946 -0.577 18411 11337 1 14 . 1 1 59 59 ILE CA C 59 63.757 63.757 62.902 0.855 18411 11338 1 14 . 1 1 59 59 ILE CB C 59 40.396 40.396 39.514 0.882 18411 11339 1 14 . 1 1 59 59 ILE H H 59 7.455 7.455 7.694 -0.239 18411 11340 1 14 . 1 1 60 60 TRP N N 60 120.937 120.937 122.292 -1.355 18411 11341 1 14 . 1 1 60 60 TRP HA H 60 4.727 4.727 4.396 0.331 18411 11342 1 14 . 1 1 60 60 TRP C C 60 177.428 177.428 178.180 -0.752 18411 11343 1 14 . 1 1 60 60 TRP CA C 60 60.644 60.644 60.778 -0.134 18411 11344 1 14 . 1 1 60 60 TRP CB C 60 30.907 30.907 30.415 0.492 18411 11345 1 14 . 1 1 60 60 TRP H H 60 9.012 9.012 8.634 0.378 18411 11346 1 14 . 1 1 61 61 LEU N N 61 113.624 113.624 119.321 -5.697 18411 11347 1 14 . 1 1 61 61 LEU HA H 61 3.572 3.572 3.833 -0.261 18411 11348 1 14 . 1 1 61 61 LEU C C 61 179.473 179.473 178.750 0.723 18411 11349 1 14 . 1 1 61 61 LEU CA C 61 57.569 57.569 58.441 -0.872 18411 11350 1 14 . 1 1 61 61 LEU CB C 61 41.040 41.040 41.159 -0.119 18411 11351 1 14 . 1 1 61 61 LEU H H 61 9.210 9.210 8.871 0.339 18411 11352 1 14 . 1 1 62 62 LYS N N 62 112.991 112.991 116.617 -3.626 18411 11353 1 14 . 1 1 62 62 LYS HA H 62 3.889 3.889 3.872 0.017 18411 11354 1 14 . 1 1 62 62 LYS C C 62 178.111 178.111 177.648 0.463 18411 11355 1 14 . 1 1 62 62 LYS CA C 62 56.667 56.667 58.488 -1.821 18411 11356 1 14 . 1 1 62 62 LYS CB C 62 31.651 31.651 31.475 0.176 18411 11357 1 14 . 1 1 62 62 LYS H H 62 6.216 6.216 7.834 -1.618 18411 11358 1 14 . 1 1 63 63 HIS N N 63 114.656 114.656 114.227 0.429 18411 11359 1 14 . 1 1 63 63 HIS HA H 63 4.943 4.943 4.637 0.306 18411 11360 1 14 . 1 1 63 63 HIS C C 63 177.057 177.057 176.036 1.021 18411 11361 1 14 . 1 1 63 63 HIS CA C 63 56.133 56.133 57.000 -0.867 18411 11362 1 14 . 1 1 63 63 HIS CB C 63 33.235 33.235 32.043 1.192 18411 11363 1 14 . 1 1 63 63 HIS H H 63 7.067 7.067 7.465 -0.398 18411 11364 1 14 . 1 1 64 64 LYS N N 64 119.155 119.155 117.258 1.897 18411 11365 1 14 . 1 1 64 64 LYS HA H 64 3.513 3.513 2.204 1.309 18411 11366 1 14 . 1 1 64 64 LYS C C 64 177.074 177.074 176.987 0.087 18411 11367 1 14 . 1 1 64 64 LYS CA C 64 59.166 59.166 58.813 0.353 18411 11368 1 14 . 1 1 64 64 LYS CB C 64 28.740 28.740 30.214 -1.474 18411 11369 1 14 . 1 1 64 64 LYS H H 64 8.114 8.114 8.141 -0.027 18411 11370 1 14 . 1 1 65 65 ASP N N 65 117.882 117.882 118.156 -0.274 18411 11371 1 14 . 1 1 65 65 ASP HA H 65 4.714 4.714 4.717 -0.003 18411 11372 1 14 . 1 1 65 65 ASP C C 65 175.195 175.195 177.214 -2.019 18411 11373 1 14 . 1 1 65 65 ASP CA C 65 54.204 54.204 54.823 -0.619 18411 11374 1 14 . 1 1 65 65 ASP CB C 65 40.564 40.564 43.029 -2.465 18411 11375 1 14 . 1 1 65 65 ASP H H 65 7.963 7.963 8.031 -0.068 18411 11376 1 14 . 1 1 66 66 ASN N N 66 122.091 122.091 115.834 6.257 18411 11377 1 14 . 1 1 66 66 ASN HA H 66 4.659 4.659 4.321 0.338 18411 11378 1 14 . 1 1 66 66 ASN C C 66 176.046 176.046 174.836 1.210 18411 11379 1 14 . 1 1 66 66 ASN CA C 66 52.799 52.799 54.129 -1.330 18411 11380 1 14 . 1 1 66 66 ASN CB C 66 39.054 39.054 37.778 1.276 18411 11381 1 14 . 1 1 66 66 ASN H H 66 8.184 8.184 8.305 -0.121 18411 11382 1 14 . 1 1 67 67 ALA N N 67 128.893 128.893 115.959 12.934 18411 11383 1 14 . 1 1 67 67 ALA HA H 67 4.295 4.295 4.052 0.243 18411 11384 1 14 . 1 1 67 67 ALA C C 67 177.886 177.886 176.409 1.477 18411 11385 1 14 . 1 1 67 67 ALA CA C 67 54.049 54.049 54.038 0.011 18411 11386 1 14 . 1 1 67 67 ALA CB C 67 18.549 18.549 18.137 0.412 18411 11387 1 14 . 1 1 67 67 ALA H H 67 8.806 8.806 8.576 0.230 18411 11388 1 14 . 1 1 68 68 ASP N N 68 116.612 116.612 114.836 1.776 18411 11389 1 14 . 1 1 68 68 ASP HA H 68 4.823 4.823 4.785 0.038 18411 11390 1 14 . 1 1 68 68 ASP C C 68 173.310 173.310 174.750 -1.440 18411 11391 1 14 . 1 1 68 68 ASP CA C 68 54.202 54.202 53.050 1.151 18411 11392 1 14 . 1 1 68 68 ASP CB C 68 40.892 40.892 42.151 -1.259 18411 11393 1 14 . 1 1 68 68 ASP H H 68 8.759 8.759 7.893 0.866 18411 11394 1 14 . 1 1 69 69 PHE N N 69 119.640 119.640 121.891 -2.251 18411 11395 1 14 . 1 1 69 69 PHE HA H 69 5.741 5.741 5.205 0.536 18411 11396 1 14 . 1 1 69 69 PHE C C 69 173.860 173.860 172.993 0.867 18411 11397 1 14 . 1 1 69 69 PHE CA C 69 56.192 56.192 56.368 -0.176 18411 11398 1 14 . 1 1 69 69 PHE CB C 69 43.496 43.496 43.017 0.478 18411 11399 1 14 . 1 1 69 69 PHE H H 69 7.912 7.912 8.150 -0.238 18411 11400 1 14 . 1 1 70 70 ALA N N 70 130.226 130.226 127.721 2.505 18411 11401 1 14 . 1 1 70 70 ALA HA H 70 4.321 4.321 4.666 -0.345 18411 11402 1 14 . 1 1 70 70 ALA C C 70 171.945 171.945 174.127 -2.182 18411 11403 1 14 . 1 1 70 70 ALA CA C 70 51.573 51.573 50.551 1.022 18411 11404 1 14 . 1 1 70 70 ALA CB C 70 23.273 23.273 22.680 0.593 18411 11405 1 14 . 1 1 70 70 ALA H H 70 8.298 8.298 8.423 -0.125 18411 11406 1 14 . 1 1 71 71 LEU N N 71 122.090 122.090 123.723 -1.633 18411 11407 1 14 . 1 1 71 71 LEU HA H 71 5.120 5.120 5.134 -0.014 18411 11408 1 14 . 1 1 71 71 LEU C C 71 174.836 174.836 174.966 -0.130 18411 11409 1 14 . 1 1 71 71 LEU CA C 71 53.348 53.348 54.032 -0.684 18411 11410 1 14 . 1 1 71 71 LEU CB C 71 46.617 46.617 45.081 1.536 18411 11411 1 14 . 1 1 71 71 LEU H H 71 7.217 7.217 8.571 -1.354 18411 11412 1 14 . 1 1 72 72 ILE N N 72 123.189 123.189 124.912 -1.723 18411 11413 1 14 . 1 1 72 72 ILE HA H 72 4.336 4.336 4.521 -0.185 18411 11414 1 14 . 1 1 72 72 ILE C C 72 175.377 175.377 174.906 0.471 18411 11415 1 14 . 1 1 72 72 ILE CA C 72 60.236 60.236 58.701 1.535 18411 11416 1 14 . 1 1 72 72 ILE CB C 72 42.355 42.355 40.410 1.945 18411 11417 1 14 . 1 1 72 72 ILE H H 72 8.211 8.211 9.023 -0.812 18411 11418 1 14 . 1 1 73 73 GLY N N 73 114.189 114.189 115.159 -0.970 18411 11419 1 14 . 1 1 73 73 GLY C C 73 172.626 172.626 172.538 0.088 18411 11420 1 14 . 1 1 73 73 GLY CA C 73 44.213 44.213 43.925 0.288 18411 11421 1 14 . 1 1 73 73 GLY H H 73 9.202 9.202 8.644 0.558 18411 11422 1 14 . 1 1 74 74 ILE N N 74 126.577 126.577 125.913 0.664 18411 11423 1 14 . 1 1 74 74 ILE HA H 74 3.873 3.873 4.830 -0.957 18411 11424 1 14 . 1 1 74 74 ILE C C 74 174.792 174.792 174.506 0.286 18411 11425 1 14 . 1 1 74 74 ILE CA C 74 61.660 61.660 59.986 1.674 18411 11426 1 14 . 1 1 74 74 ILE CB C 74 37.394 37.394 39.953 -2.559 18411 11427 1 14 . 1 1 74 74 ILE H H 74 9.279 9.279 9.156 0.123 18411 11428 1 14 . 1 1 75 75 ASP N N 75 129.040 129.040 127.697 1.343 18411 11429 1 14 . 1 1 75 75 ASP HA H 75 5.213 5.213 4.973 0.240 18411 11430 1 14 . 1 1 75 75 ASP C C 75 175.696 175.696 177.035 -1.339 18411 11431 1 14 . 1 1 75 75 ASP CA C 75 52.425 52.425 53.834 -1.409 18411 11432 1 14 . 1 1 75 75 ASP CB C 75 41.673 41.673 43.554 -1.881 18411 11433 1 14 . 1 1 75 75 ASP H H 75 8.592 8.592 8.621 -0.029 18411 11434 1 14 . 1 1 76 76 ARG N N 76 128.762 128.762 125.325 3.437 18411 11435 1 14 . 1 1 76 76 ARG HA H 76 4.346 4.346 3.844 0.502 18411 11436 1 14 . 1 1 76 76 ARG C C 76 174.562 174.562 175.844 -1.282 18411 11437 1 14 . 1 1 76 76 ARG CA C 76 58.885 58.885 59.291 -0.406 18411 11438 1 14 . 1 1 76 76 ARG CB C 76 32.732 32.732 30.658 2.074 18411 11439 1 14 . 1 1 76 76 ARG H H 76 8.842 8.842 8.722 0.120 18411 11440 1 14 . 1 1 77 77 ASP N N 77 128.451 128.451 110.285 18.166 18411 11441 1 14 . 1 1 77 77 ASP HA H 77 4.473 4.473 5.152 -0.679 18411 11442 1 14 . 1 1 77 77 ASP C C 77 173.969 173.969 175.922 -1.953 18411 11443 1 14 . 1 1 77 77 ASP CA C 77 56.139 56.139 53.572 2.567 18411 11444 1 14 . 1 1 77 77 ASP CB C 77 42.541 42.541 41.935 0.606 18411 11445 1 14 . 1 1 77 77 ASP H H 77 8.256 8.256 8.027 0.229 18411 11446 1 14 . 1 1 78 78 GLU N N 78 114.796 114.796 121.841 -7.045 18411 11447 1 14 . 1 1 78 78 GLU HA H 78 5.060 5.060 4.736 0.324 18411 11448 1 14 . 1 1 78 78 GLU C C 78 174.225 174.225 174.484 -0.259 18411 11449 1 14 . 1 1 78 78 GLU CA C 78 54.220 54.220 54.723 -0.503 18411 11450 1 14 . 1 1 78 78 GLU CB C 78 32.842 32.842 30.098 2.744 18411 11451 1 14 . 1 1 78 78 GLU H H 78 8.010 8.010 8.922 -0.912 18411 11452 1 14 . 1 1 79 79 PRO HA H 79 4.579 4.579 4.450 0.129 18411 11453 1 14 . 1 1 79 79 PRO C C 79 177.508 177.508 177.822 -0.314 18411 11454 1 14 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.494 -0.427 18411 11455 1 14 . 1 1 79 79 PRO CB C 79 33.096 33.096 32.511 0.585 18411 11456 1 14 . 1 1 80 80 LEU N N 80 122.209 122.209 120.752 1.457 18411 11457 1 14 . 1 1 80 80 LEU HA H 80 3.927 3.927 3.913 0.014 18411 11458 1 14 . 1 1 80 80 LEU C C 80 177.847 177.847 178.738 -0.891 18411 11459 1 14 . 1 1 80 80 LEU CA C 80 59.188 59.188 59.299 -0.111 18411 11460 1 14 . 1 1 80 80 LEU CB C 80 42.001 42.001 41.051 0.950 18411 11461 1 14 . 1 1 80 80 LEU H H 80 8.943 8.943 8.430 0.513 18411 11462 1 14 . 1 1 81 81 GLU N N 81 115.361 115.361 117.330 -1.969 18411 11463 1 14 . 1 1 81 81 GLU HA H 81 3.999 3.999 4.057 -0.058 18411 11464 1 14 . 1 1 81 81 GLU C C 81 180.044 180.044 178.891 1.153 18411 11465 1 14 . 1 1 81 81 GLU CA C 81 60.552 60.552 59.041 1.511 18411 11466 1 14 . 1 1 81 81 GLU CB C 81 28.723 28.723 28.313 0.410 18411 11467 1 14 . 1 1 81 81 GLU H H 81 9.534 9.534 8.968 0.566 18411 11468 1 14 . 1 1 82 82 LYS N N 82 118.582 118.582 119.955 -1.373 18411 11469 1 14 . 1 1 82 82 LYS HA H 82 4.183 4.183 4.156 0.027 18411 11470 1 14 . 1 1 82 82 LYS C C 82 179.226 179.226 178.516 0.710 18411 11471 1 14 . 1 1 82 82 LYS CA C 82 58.248 58.248 57.897 0.351 18411 11472 1 14 . 1 1 82 82 LYS CB C 82 32.912 32.912 32.021 0.891 18411 11473 1 14 . 1 1 82 82 LYS H H 82 7.332 7.332 7.477 -0.145 18411 11474 1 14 . 1 1 83 83 VAL N N 83 122.971 122.971 120.759 2.212 18411 11475 1 14 . 1 1 83 83 VAL HA H 83 3.554 3.554 3.695 -0.141 18411 11476 1 14 . 1 1 83 83 VAL C C 83 178.331 178.331 178.710 -0.379 18411 11477 1 14 . 1 1 83 83 VAL CA C 83 67.063 67.063 66.852 0.211 18411 11478 1 14 . 1 1 83 83 VAL CB C 83 31.497 31.497 31.423 0.074 18411 11479 1 14 . 1 1 83 83 VAL H H 83 7.743 7.743 7.743 -0.000 18411 11480 1 14 . 1 1 84 84 LEU N N 84 119.209 119.209 119.090 0.119 18411 11481 1 14 . 1 1 84 84 LEU HA H 84 4.030 4.030 4.003 0.027 18411 11482 1 14 . 1 1 84 84 LEU C C 84 180.647 180.647 178.742 1.905 18411 11483 1 14 . 1 1 84 84 LEU CA C 84 57.975 57.975 58.145 -0.170 18411 11484 1 14 . 1 1 84 84 LEU CB C 84 42.010 42.010 41.004 1.006 18411 11485 1 14 . 1 1 84 84 LEU H H 84 8.706 8.706 8.734 -0.028 18411 11486 1 14 . 1 1 85 85 ALA N N 85 120.801 120.801 121.213 -0.412 18411 11487 1 14 . 1 1 85 85 ALA HA H 85 4.198 4.198 4.072 0.126 18411 11488 1 14 . 1 1 85 85 ALA C C 85 180.253 180.253 179.253 1.000 18411 11489 1 14 . 1 1 85 85 ALA CA C 85 54.947 54.947 54.537 0.410 18411 11490 1 14 . 1 1 85 85 ALA CB C 85 17.973 17.973 18.444 -0.471 18411 11491 1 14 . 1 1 85 85 ALA H H 85 7.440 7.440 7.381 0.059 18411 11492 1 14 . 1 1 86 86 PHE N N 86 123.035 123.035 120.006 3.029 18411 11493 1 14 . 1 1 86 86 PHE HA H 86 4.905 4.905 4.035 0.870 18411 11494 1 14 . 1 1 86 86 PHE C C 86 179.015 179.015 177.198 1.817 18411 11495 1 14 . 1 1 86 86 PHE CA C 86 56.648 56.648 61.167 -4.519 18411 11496 1 14 . 1 1 86 86 PHE CB C 86 39.249 39.249 39.214 0.035 18411 11497 1 14 . 1 1 86 86 PHE H H 86 8.040 8.040 8.630 -0.590 18411 11498 1 14 . 1 1 87 87 ALA N N 87 123.932 123.932 122.349 1.583 18411 11499 1 14 . 1 1 87 87 ALA HA H 87 3.480 3.480 3.783 -0.303 18411 11500 1 14 . 1 1 87 87 ALA C C 87 179.800 179.800 178.942 0.858 18411 11501 1 14 . 1 1 87 87 ALA CA C 87 55.183 55.183 55.206 -0.023 18411 11502 1 14 . 1 1 87 87 ALA CB C 87 17.602 17.602 18.282 -0.680 18411 11503 1 14 . 1 1 87 87 ALA H H 87 8.453 8.453 8.213 0.240 18411 11504 1 14 . 1 1 88 88 LYS N N 88 116.535 116.535 115.597 0.938 18411 11505 1 14 . 1 1 88 88 LYS HA H 88 4.030 4.030 3.970 0.060 18411 11506 1 14 . 1 1 88 88 LYS C C 88 179.562 179.562 177.581 1.981 18411 11507 1 14 . 1 1 88 88 LYS CA C 88 59.063 59.063 58.611 0.452 18411 11508 1 14 . 1 1 88 88 LYS CB C 88 32.466 32.466 32.020 0.446 18411 11509 1 14 . 1 1 88 88 LYS H H 88 7.664 7.664 7.640 0.024 18411 11510 1 14 . 1 1 89 89 SER N N 89 113.619 113.619 113.941 -0.322 18411 11511 1 14 . 1 1 89 89 SER HA H 89 4.271 4.271 4.681 -0.410 18411 11512 1 14 . 1 1 89 89 SER C C 89 177.004 177.004 173.867 3.137 18411 11513 1 14 . 1 1 89 89 SER CA C 89 61.139 61.139 58.933 2.206 18411 11514 1 14 . 1 1 89 89 SER CB C 89 63.327 63.327 64.126 -0.799 18411 11515 1 14 . 1 1 89 89 SER H H 89 8.417 8.417 7.624 0.793 18411 11516 1 14 . 1 1 90 90 THR N N 90 109.601 109.601 111.406 -1.805 18411 11517 1 14 . 1 1 90 90 THR HA H 90 4.287 4.287 4.356 -0.069 18411 11518 1 14 . 1 1 90 90 THR C C 90 176.074 176.074 174.773 1.301 18411 11519 1 14 . 1 1 90 90 THR CA C 90 62.926 62.926 60.675 2.251 18411 11520 1 14 . 1 1 90 90 THR CB C 90 70.563 70.563 69.369 1.194 18411 11521 1 14 . 1 1 90 90 THR H H 90 7.710 7.710 7.349 0.361 18411 11522 1 14 . 1 1 91 91 GLY N N 91 110.243 110.243 111.088 -0.845 18411 11523 1 14 . 1 1 91 91 GLY C C 91 174.815 174.815 174.203 0.612 18411 11524 1 14 . 1 1 91 91 GLY CA C 91 46.042 46.042 45.539 0.503 18411 11525 1 14 . 1 1 91 91 GLY H H 91 7.609 7.609 7.610 -0.001 18411 11526 1 14 . 1 1 92 92 VAL N N 92 112.099 112.099 120.024 -7.925 18411 11527 1 14 . 1 1 92 92 VAL HA H 92 4.309 4.309 3.890 0.419 18411 11528 1 14 . 1 1 92 92 VAL C C 92 178.372 178.372 175.269 3.103 18411 11529 1 14 . 1 1 92 92 VAL CA C 92 60.696 60.696 61.047 -0.351 18411 11530 1 14 . 1 1 92 92 VAL CB C 92 32.337 32.337 30.148 2.189 18411 11531 1 14 . 1 1 92 92 VAL H H 92 7.046 7.046 7.951 -0.905 18411 11532 1 14 . 1 1 93 93 THR N N 93 114.289 114.289 121.622 -7.333 18411 11533 1 14 . 1 1 93 93 THR HA H 93 4.457 4.457 4.205 0.252 18411 11534 1 14 . 1 1 93 93 THR C C 93 175.115 175.115 173.630 1.485 18411 11535 1 14 . 1 1 93 93 THR CA C 93 61.280 61.280 63.307 -2.027 18411 11536 1 14 . 1 1 93 93 THR CB C 93 70.314 70.314 69.634 0.680 18411 11537 1 14 . 1 1 93 93 THR H H 93 10.844 10.844 8.136 2.708 18411 11538 1 14 . 1 1 94 94 TYR N N 94 122.050 122.050 119.067 2.983 18411 11539 1 14 . 1 1 94 94 TYR HA H 94 3.740 3.740 3.682 0.058 18411 11540 1 14 . 1 1 94 94 TYR C C 94 171.563 171.563 173.252 -1.689 18411 11541 1 14 . 1 1 94 94 TYR CA C 94 53.080 53.080 52.271 0.809 18411 11542 1 14 . 1 1 94 94 TYR CB C 94 34.195 34.195 36.413 -2.217 18411 11543 1 14 . 1 1 94 94 TYR H H 94 6.391 6.391 6.892 -0.501 18411 11544 1 14 . 1 1 95 95 PRO HA H 95 4.105 4.105 4.287 -0.182 18411 11545 1 14 . 1 1 95 95 PRO C C 95 175.152 175.152 175.553 -0.401 18411 11546 1 14 . 1 1 95 95 PRO CA C 95 63.799 63.799 62.862 0.937 18411 11547 1 14 . 1 1 95 95 PRO CB C 95 32.919 32.919 32.337 0.582 18411 11548 1 14 . 1 1 96 96 LEU N N 96 122.325 122.325 122.365 -0.040 18411 11549 1 14 . 1 1 96 96 LEU HA H 96 5.143 5.143 5.203 -0.060 18411 11550 1 14 . 1 1 96 96 LEU C C 96 176.072 176.072 176.515 -0.443 18411 11551 1 14 . 1 1 96 96 LEU CA C 96 52.794 52.794 53.463 -0.669 18411 11552 1 14 . 1 1 96 96 LEU CB C 96 45.567 45.567 45.425 0.142 18411 11553 1 14 . 1 1 96 96 LEU H H 96 8.256 8.256 8.440 -0.184 18411 11554 1 14 . 1 1 97 97 GLY N N 97 107.295 107.295 107.696 -0.401 18411 11555 1 14 . 1 1 97 97 GLY C C 97 171.546 171.546 172.311 -0.765 18411 11556 1 14 . 1 1 97 97 GLY CA C 97 44.069 44.069 43.652 0.417 18411 11557 1 14 . 1 1 97 97 GLY H H 97 9.177 9.177 9.142 0.035 18411 11558 1 14 . 1 1 98 98 LEU N N 98 118.550 118.550 118.644 -0.094 18411 11559 1 14 . 1 1 98 98 LEU HA H 98 4.872 4.872 4.737 0.135 18411 11560 1 14 . 1 1 98 98 LEU C C 98 176.132 176.132 174.672 1.460 18411 11561 1 14 . 1 1 98 98 LEU CA C 98 54.460 54.460 53.798 0.662 18411 11562 1 14 . 1 1 98 98 LEU CB C 98 43.567 43.567 43.199 0.368 18411 11563 1 14 . 1 1 98 98 LEU H H 98 8.106 8.106 8.196 -0.090 18411 11564 1 14 . 1 1 99 99 ASP N N 99 118.061 118.061 122.193 -4.132 18411 11565 1 14 . 1 1 99 99 ASP HA H 99 5.403 5.403 5.112 0.291 18411 11566 1 14 . 1 1 99 99 ASP C C 99 175.069 175.069 174.652 0.417 18411 11567 1 14 . 1 1 99 99 ASP CA C 99 51.057 51.057 50.248 0.809 18411 11568 1 14 . 1 1 99 99 ASP CB C 99 42.069 42.069 42.166 -0.097 18411 11569 1 14 . 1 1 99 99 ASP H H 99 8.481 8.481 8.291 0.190 18411 11570 1 14 . 1 1 100 100 PRO HA H 100 4.564 4.564 4.256 0.308 18411 11571 1 14 . 1 1 100 100 PRO C C 100 179.600 179.600 176.963 2.637 18411 11572 1 14 . 1 1 100 100 PRO CA C 100 64.020 64.020 63.517 0.503 18411 11573 1 14 . 1 1 100 100 PRO CB C 100 31.455 31.455 30.729 0.726 18411 11574 1 14 . 1 1 101 101 GLY N N 101 114.780 114.780 110.703 4.077 18411 11575 1 14 . 1 1 101 101 GLY C C 101 173.600 173.600 174.195 -0.595 18411 11576 1 14 . 1 1 101 101 GLY CA C 101 46.175 46.175 44.948 1.227 18411 11577 1 14 . 1 1 101 101 GLY H H 101 9.045 9.045 7.941 1.104 18411 11578 1 14 . 1 1 102 102 ALA N N 102 117.089 117.089 120.407 -3.318 18411 11579 1 14 . 1 1 102 102 ALA HA H 102 4.376 4.376 4.241 0.135 18411 11580 1 14 . 1 1 102 102 ALA C C 102 175.955 175.955 177.160 -1.205 18411 11581 1 14 . 1 1 102 102 ALA CA C 102 52.693 52.693 52.795 -0.102 18411 11582 1 14 . 1 1 102 102 ALA CB C 102 18.256 18.256 17.241 1.015 18411 11583 1 14 . 1 1 102 102 ALA H H 102 8.257 8.257 7.995 0.262 18411 11584 1 14 . 1 1 103 103 ASP N N 103 118.691 118.691 119.904 -1.213 18411 11585 1 14 . 1 1 103 103 ASP HA H 103 4.444 4.444 4.542 -0.098 18411 11586 1 14 . 1 1 103 103 ASP C C 103 179.021 179.021 178.062 0.959 18411 11587 1 14 . 1 1 103 103 ASP CA C 103 57.935 57.935 57.141 0.794 18411 11588 1 14 . 1 1 103 103 ASP CB C 103 41.368 41.368 41.363 0.005 18411 11589 1 14 . 1 1 103 103 ASP H H 103 6.739 6.739 8.605 -1.866 18411 11590 1 14 . 1 1 104 104 ILE N N 104 126.075 126.075 121.005 5.070 18411 11591 1 14 . 1 1 104 104 ILE HA H 104 3.682 3.682 3.924 -0.242 18411 11592 1 14 . 1 1 104 104 ILE C C 104 179.321 179.321 177.838 1.483 18411 11593 1 14 . 1 1 104 104 ILE CA C 104 66.522 66.522 63.100 3.422 18411 11594 1 14 . 1 1 104 104 ILE CB C 104 36.754 36.754 37.185 -0.431 18411 11595 1 14 . 1 1 104 104 ILE H H 104 11.476 11.476 8.618 2.858 18411 11596 1 14 . 1 1 105 105 PHE N N 105 124.513 124.513 120.264 4.249 18411 11597 1 14 . 1 1 105 105 PHE HA H 105 3.646 3.646 3.861 -0.215 18411 11598 1 14 . 1 1 105 105 PHE C C 105 177.818 177.818 176.811 1.007 18411 11599 1 14 . 1 1 105 105 PHE CA C 105 62.948 62.948 61.643 1.305 18411 11600 1 14 . 1 1 105 105 PHE CB C 105 38.350 38.350 38.996 -0.646 18411 11601 1 14 . 1 1 105 105 PHE H H 105 9.473 9.473 9.378 0.095 18411 11602 1 14 . 1 1 106 106 ALA N N 106 115.835 115.835 120.055 -4.220 18411 11603 1 14 . 1 1 106 106 ALA HA H 106 4.927 4.927 4.431 0.496 18411 11604 1 14 . 1 1 106 106 ALA C C 106 179.271 179.271 178.585 0.686 18411 11605 1 14 . 1 1 106 106 ALA CA C 106 52.672 52.672 54.001 -1.329 18411 11606 1 14 . 1 1 106 106 ALA CB C 106 19.093 19.093 18.628 0.465 18411 11607 1 14 . 1 1 106 106 ALA H H 106 8.418 8.418 7.518 0.900 18411 11608 1 14 . 1 1 107 107 LYS N N 107 116.823 116.823 116.021 0.802 18411 11609 1 14 . 1 1 107 107 LYS HA H 107 4.145 4.145 4.102 0.043 18411 11610 1 14 . 1 1 107 107 LYS C C 107 176.006 176.006 176.950 -0.944 18411 11611 1 14 . 1 1 107 107 LYS CA C 107 57.980 57.980 57.940 0.040 18411 11612 1 14 . 1 1 107 107 LYS CB C 107 33.041 33.041 32.535 0.506 18411 11613 1 14 . 1 1 107 107 LYS H H 107 8.106 8.106 7.621 0.485 18411 11614 1 14 . 1 1 108 108 TYR N N 108 114.793 114.793 115.487 -0.694 18411 11615 1 14 . 1 1 108 108 TYR HA H 108 4.311 4.311 4.476 -0.165 18411 11616 1 14 . 1 1 108 108 TYR C C 108 176.010 176.010 174.034 1.976 18411 11617 1 14 . 1 1 108 108 TYR CA C 108 59.270 59.270 58.717 0.553 18411 11618 1 14 . 1 1 108 108 TYR CB C 108 40.965 40.965 41.040 -0.075 18411 11619 1 14 . 1 1 108 108 TYR H H 108 7.811 7.811 7.384 0.427 18411 11620 1 14 . 1 1 109 109 ALA N N 109 125.709 125.709 118.281 7.428 18411 11621 1 14 . 1 1 109 109 ALA HA H 109 4.760 4.760 4.537 0.223 18411 11622 1 14 . 1 1 109 109 ALA C C 109 174.711 174.711 174.621 0.090 18411 11623 1 14 . 1 1 109 109 ALA CA C 109 50.276 50.276 51.239 -0.963 18411 11624 1 14 . 1 1 109 109 ALA CB C 109 21.924 21.924 20.241 1.683 18411 11625 1 14 . 1 1 109 109 ALA H H 109 8.595 8.595 7.482 1.113 18411 11626 1 14 . 1 1 110 110 LEU N N 110 117.834 117.834 118.577 -0.743 18411 11627 1 14 . 1 1 110 110 LEU HA H 110 4.137 4.137 4.231 -0.094 18411 11628 1 14 . 1 1 110 110 LEU C C 110 179.153 179.153 178.496 0.657 18411 11629 1 14 . 1 1 110 110 LEU CA C 110 55.164 55.164 55.231 -0.067 18411 11630 1 14 . 1 1 110 110 LEU CB C 110 42.292 42.292 42.328 -0.036 18411 11631 1 14 . 1 1 110 110 LEU H H 110 7.814 7.814 8.317 -0.503 18411 11632 1 14 . 1 1 111 111 ARG N N 111 119.787 119.787 121.057 -1.270 18411 11633 1 14 . 1 1 111 111 ARG HA H 111 3.916 3.916 4.462 -0.546 18411 11634 1 14 . 1 1 111 111 ARG C C 111 176.962 176.962 176.849 0.113 18411 11635 1 14 . 1 1 111 111 ARG CA C 111 60.538 60.538 59.221 1.317 18411 11636 1 14 . 1 1 111 111 ARG CB C 111 30.424 30.424 30.510 -0.086 18411 11637 1 14 . 1 1 111 111 ARG H H 111 8.655 8.655 8.740 -0.085 18411 11638 1 14 . 1 1 112 112 ASP N N 112 113.338 113.338 116.679 -3.341 18411 11639 1 14 . 1 1 112 112 ASP HA H 112 4.662 4.662 4.795 -0.133 18411 11640 1 14 . 1 1 112 112 ASP C C 112 176.387 176.387 175.606 0.781 18411 11641 1 14 . 1 1 112 112 ASP CA C 112 52.833 52.833 53.915 -1.082 18411 11642 1 14 . 1 1 112 112 ASP CB C 112 40.135 40.135 40.262 -0.127 18411 11643 1 14 . 1 1 112 112 ASP H H 112 8.205 8.205 8.378 -0.173 18411 11644 1 14 . 1 1 113 113 ALA N N 113 122.885 122.885 122.580 0.305 18411 11645 1 14 . 1 1 113 113 ALA HA H 113 4.347 4.347 4.661 -0.314 18411 11646 1 14 . 1 1 113 113 ALA C C 113 177.740 177.740 177.841 -0.101 18411 11647 1 14 . 1 1 113 113 ALA CA C 113 51.983 51.983 51.631 0.352 18411 11648 1 14 . 1 1 113 113 ALA CB C 113 20.558 20.558 20.771 -0.213 18411 11649 1 14 . 1 1 113 113 ALA H H 113 7.919 7.919 7.339 0.580 18411 11650 1 14 . 1 1 114 114 GLY CA C 114 45.480 45.480 44.523 0.957 18411 11651 1 14 . 1 1 115 115 ILE N N 115 122.165 122.165 122.451 -0.286 18411 11652 1 14 . 1 1 115 115 ILE HA H 115 4.119 4.119 4.311 -0.192 18411 11653 1 14 . 1 1 115 115 ILE CA C 115 60.788 60.788 61.689 -0.901 18411 11654 1 14 . 1 1 115 115 ILE CB C 115 39.651 39.651 38.670 0.980 18411 11655 1 14 . 1 1 115 115 ILE H H 115 8.253 8.253 8.452 -0.199 18411 11656 1 14 . 1 1 116 116 THR N N 116 110.198 110.198 116.710 -6.512 18411 11657 1 14 . 1 1 116 116 THR HA H 116 4.101 4.101 4.268 -0.167 18411 11658 1 14 . 1 1 116 116 THR CA C 116 62.947 62.947 62.749 0.197 18411 11659 1 14 . 1 1 116 116 THR CB C 116 69.031 69.031 67.647 1.384 18411 11660 1 14 . 1 1 116 116 THR H H 116 7.033 7.033 7.936 -0.903 18411 11661 1 14 . 1 1 117 117 ARG N N 117 130.624 130.624 122.321 8.303 18411 11662 1 14 . 1 1 117 117 ARG HA H 117 4.997 4.997 4.897 0.100 18411 11663 1 14 . 1 1 117 117 ARG C C 117 173.296 173.296 174.023 -0.727 18411 11664 1 14 . 1 1 117 117 ARG CA C 117 56.468 56.468 55.436 1.032 18411 11665 1 14 . 1 1 117 117 ARG CB C 117 31.949 31.949 32.799 -0.850 18411 11666 1 14 . 1 1 117 117 ARG H H 117 8.250 8.250 7.953 0.297 18411 11667 1 14 . 1 1 118 118 ASN N N 118 118.226 118.226 122.395 -4.169 18411 11668 1 14 . 1 1 118 118 ASN HA H 118 6.127 6.127 5.472 0.655 18411 11669 1 14 . 1 1 118 118 ASN C C 118 173.805 173.805 173.994 -0.189 18411 11670 1 14 . 1 1 118 118 ASN CA C 118 51.759 51.759 52.447 -0.688 18411 11671 1 14 . 1 1 118 118 ASN CB C 118 41.892 41.892 40.720 1.172 18411 11672 1 14 . 1 1 118 118 ASN H H 118 7.730 7.730 8.445 -0.715 18411 11673 1 14 . 1 1 119 119 VAL N N 119 120.477 120.477 123.460 -2.983 18411 11674 1 14 . 1 1 119 119 VAL HA H 119 4.766 4.766 4.940 -0.174 18411 11675 1 14 . 1 1 119 119 VAL C C 119 173.809 173.809 174.194 -0.385 18411 11676 1 14 . 1 1 119 119 VAL CA C 119 60.808 60.808 60.822 -0.014 18411 11677 1 14 . 1 1 119 119 VAL CB C 119 35.887 35.887 33.347 2.540 18411 11678 1 14 . 1 1 119 119 VAL H H 119 9.269 9.269 9.259 0.010 18411 11679 1 14 . 1 1 120 120 LEU N N 120 128.017 128.017 130.613 -2.596 18411 11680 1 14 . 1 1 120 120 LEU HA H 120 5.350 5.350 4.985 0.365 18411 11681 1 14 . 1 1 120 120 LEU C C 120 174.606 174.606 174.787 -0.181 18411 11682 1 14 . 1 1 120 120 LEU CA C 120 53.563 53.563 53.599 -0.036 18411 11683 1 14 . 1 1 120 120 LEU CB C 120 46.211 46.211 44.382 1.829 18411 11684 1 14 . 1 1 120 120 LEU H H 120 8.829 8.829 8.570 0.259 18411 11685 1 14 . 1 1 121 121 ILE N N 121 131.629 131.629 127.665 3.964 18411 11686 1 14 . 1 1 121 121 ILE HA H 121 4.799 4.799 4.651 0.148 18411 11687 1 14 . 1 1 121 121 ILE C C 121 174.731 174.731 175.416 -0.685 18411 11688 1 14 . 1 1 121 121 ILE CA C 121 60.450 60.450 60.567 -0.117 18411 11689 1 14 . 1 1 121 121 ILE CB C 121 41.651 41.651 39.329 2.322 18411 11690 1 14 . 1 1 121 121 ILE H H 121 9.659 9.659 9.270 0.389 18411 11691 1 14 . 1 1 122 122 ASP N N 122 124.197 124.197 126.243 -2.046 18411 11692 1 14 . 1 1 122 122 ASP HA H 122 4.513 4.513 4.703 -0.190 18411 11693 1 14 . 1 1 122 122 ASP C C 122 177.586 177.586 177.007 0.579 18411 11694 1 14 . 1 1 122 122 ASP CA C 122 52.442 52.442 53.362 -0.920 18411 11695 1 14 . 1 1 122 122 ASP CB C 122 41.476 41.476 42.317 -0.841 18411 11696 1 14 . 1 1 122 122 ASP H H 122 9.128 9.128 8.994 0.134 18411 11697 1 14 . 1 1 123 123 ARG N N 123 113.396 113.396 119.904 -6.508 18411 11698 1 14 . 1 1 123 123 ARG HA H 123 4.186 4.186 4.297 -0.111 18411 11699 1 14 . 1 1 123 123 ARG C C 123 178.717 178.717 177.593 1.124 18411 11700 1 14 . 1 1 123 123 ARG CA C 123 58.243 58.243 58.918 -0.675 18411 11701 1 14 . 1 1 123 123 ARG CB C 123 30.783 30.783 30.521 0.262 18411 11702 1 14 . 1 1 123 123 ARG H H 123 7.870 7.870 8.748 -0.878 18411 11703 1 14 . 1 1 124 124 GLU N N 124 117.427 117.427 117.048 0.379 18411 11704 1 14 . 1 1 124 124 GLU HA H 124 4.310 4.310 4.302 0.008 18411 11705 1 14 . 1 1 124 124 GLU C C 124 176.034 176.034 176.642 -0.608 18411 11706 1 14 . 1 1 124 124 GLU CA C 124 56.164 56.164 55.594 0.570 18411 11707 1 14 . 1 1 124 124 GLU CB C 124 30.541 30.541 29.774 0.767 18411 11708 1 14 . 1 1 124 124 GLU H H 124 8.155 8.155 8.673 -0.518 18411 11709 1 14 . 1 1 125 125 GLY N N 125 105.681 105.681 108.276 -2.595 18411 11710 1 14 . 1 1 125 125 GLY C C 125 174.204 174.204 173.870 0.334 18411 11711 1 14 . 1 1 125 125 GLY CA C 125 45.160 45.160 45.574 -0.414 18411 11712 1 14 . 1 1 125 125 GLY H H 125 8.094 8.094 7.971 0.123 18411 11713 1 14 . 1 1 126 126 LYS N N 126 122.326 122.326 119.893 2.433 18411 11714 1 14 . 1 1 126 126 LYS HA H 126 4.647 4.647 5.078 -0.431 18411 11715 1 14 . 1 1 126 126 LYS C C 126 176.390 176.390 175.858 0.532 18411 11716 1 14 . 1 1 126 126 LYS CA C 126 55.393 55.393 54.407 0.986 18411 11717 1 14 . 1 1 126 126 LYS CB C 126 33.569 33.569 35.267 -1.698 18411 11718 1 14 . 1 1 126 126 LYS H H 126 8.502 8.502 8.736 -0.234 18411 11719 1 14 . 1 1 127 127 ILE N N 127 121.946 121.946 124.661 -2.715 18411 11720 1 14 . 1 1 127 127 ILE HA H 127 4.048 4.048 4.391 -0.343 18411 11721 1 14 . 1 1 127 127 ILE C C 127 177.735 177.735 176.288 1.447 18411 11722 1 14 . 1 1 127 127 ILE CA C 127 63.200 63.200 62.674 0.526 18411 11723 1 14 . 1 1 127 127 ILE CB C 127 38.106 38.106 37.859 0.246 18411 11724 1 14 . 1 1 127 127 ILE H H 127 8.739 8.739 9.085 -0.346 18411 11725 1 14 . 1 1 128 128 VAL N N 128 122.026 122.026 123.337 -1.311 18411 11726 1 14 . 1 1 128 128 VAL HA H 128 4.695 4.695 4.383 0.312 18411 11727 1 14 . 1 1 128 128 VAL C C 128 175.968 175.968 175.267 0.701 18411 11728 1 14 . 1 1 128 128 VAL CA C 128 61.535 61.535 61.447 0.089 18411 11729 1 14 . 1 1 128 128 VAL CB C 128 33.996 33.996 32.712 1.284 18411 11730 1 14 . 1 1 128 128 VAL H H 128 9.397 9.397 8.586 0.811 18411 11731 1 14 . 1 1 129 129 LYS N N 129 121.635 121.635 121.221 0.414 18411 11732 1 14 . 1 1 129 129 LYS HA H 129 4.359 4.359 4.506 -0.147 18411 11733 1 14 . 1 1 129 129 LYS C C 129 172.896 172.896 174.129 -1.233 18411 11734 1 14 . 1 1 129 129 LYS CA C 129 57.322 57.322 54.986 2.336 18411 11735 1 14 . 1 1 129 129 LYS CB C 129 36.802 36.802 34.713 2.089 18411 11736 1 14 . 1 1 129 129 LYS H H 129 7.708 7.708 7.481 0.227 18411 11737 1 14 . 1 1 130 130 LEU N N 130 126.219 126.219 127.594 -1.375 18411 11738 1 14 . 1 1 130 130 LEU HA H 130 5.140 5.140 4.780 0.360 18411 11739 1 14 . 1 1 130 130 LEU C C 130 176.956 176.956 177.035 -0.079 18411 11740 1 14 . 1 1 130 130 LEU CA C 130 53.572 53.572 53.358 0.214 18411 11741 1 14 . 1 1 130 130 LEU CB C 130 44.700 44.700 40.866 3.834 18411 11742 1 14 . 1 1 130 130 LEU H H 130 8.301 8.301 8.505 -0.204 18411 11743 1 14 . 1 1 131 131 THR N N 131 113.484 113.484 120.223 -6.739 18411 11744 1 14 . 1 1 131 131 THR HA H 131 5.136 5.136 4.459 0.677 18411 11745 1 14 . 1 1 131 131 THR C C 131 175.492 175.492 174.110 1.382 18411 11746 1 14 . 1 1 131 131 THR CA C 131 61.033 61.033 61.647 -0.614 18411 11747 1 14 . 1 1 131 131 THR CB C 131 70.922 70.922 70.054 0.868 18411 11748 1 14 . 1 1 131 131 THR H H 131 9.298 9.298 9.016 0.282 18411 11749 1 14 . 1 1 132 132 ARG HA H 132 5.150 5.150 4.624 0.526 18411 11750 1 14 . 1 1 132 132 ARG CA C 132 55.585 55.585 55.358 0.227 18411 11751 1 14 . 1 1 132 132 ARG CB C 132 33.035 33.035 29.139 3.896 18411 11752 1 14 . 1 1 133 133 LEU N N 133 118.967 118.967 119.531 -0.564 18411 11753 1 14 . 1 1 133 133 LEU HA H 133 4.302 4.302 3.932 0.370 18411 11754 1 14 . 1 1 133 133 LEU CA C 133 56.200 56.200 56.202 -0.002 18411 11755 1 14 . 1 1 133 133 LEU CB C 133 41.616 41.616 41.042 0.574 18411 11756 1 14 . 1 1 133 133 LEU H H 133 8.167 8.167 8.268 -0.101 18411 11757 1 14 . 1 1 134 134 TYR N N 134 124.816 124.816 122.540 2.276 18411 11758 1 14 . 1 1 134 134 TYR HA H 134 4.963 4.963 4.478 0.485 18411 11759 1 14 . 1 1 134 134 TYR CA C 134 57.154 57.154 57.476 -0.322 18411 11760 1 14 . 1 1 134 134 TYR CB C 134 38.948 38.948 37.977 0.971 18411 11761 1 14 . 1 1 134 134 TYR H H 134 7.805 7.805 8.203 -0.398 18411 11762 1 14 . 1 1 135 135 ASN HA H 135 4.415 4.415 4.699 -0.284 18411 11763 1 14 . 1 1 135 135 ASN CA C 135 51.995 51.995 51.878 0.117 18411 11764 1 14 . 1 1 135 135 ASN CB C 135 40.521 40.521 40.333 0.188 18411 11765 1 14 . 1 1 136 136 GLU HA H 136 3.694 3.694 3.446 0.248 18411 11766 1 14 . 1 1 136 136 GLU C C 136 178.797 178.797 178.204 0.593 18411 11767 1 14 . 1 1 136 136 GLU CA C 136 61.052 61.052 60.242 0.810 18411 11768 1 14 . 1 1 136 136 GLU CB C 136 29.353 29.353 29.015 0.338 18411 11769 1 14 . 1 1 137 137 GLU N N 137 120.717 120.717 118.346 2.371 18411 11770 1 14 . 1 1 137 137 GLU HA H 137 4.176 4.176 4.145 0.031 18411 11771 1 14 . 1 1 137 137 GLU C C 137 179.707 179.707 178.960 0.747 18411 11772 1 14 . 1 1 137 137 GLU CA C 137 59.800 59.800 58.964 0.836 18411 11773 1 14 . 1 1 137 137 GLU CB C 137 29.284 29.284 28.871 0.413 18411 11774 1 14 . 1 1 137 137 GLU H H 137 8.364 8.364 8.494 -0.130 18411 11775 1 14 . 1 1 138 138 GLU N N 138 122.448 122.448 120.794 1.654 18411 11776 1 14 . 1 1 138 138 GLU HA H 138 4.190 4.190 4.087 0.103 18411 11777 1 14 . 1 1 138 138 GLU C C 138 179.927 179.927 178.323 1.604 18411 11778 1 14 . 1 1 138 138 GLU CA C 138 59.129 59.129 59.099 0.030 18411 11779 1 14 . 1 1 138 138 GLU CB C 138 30.064 30.064 28.802 1.262 18411 11780 1 14 . 1 1 138 138 GLU H H 138 8.448 8.448 8.213 0.235 18411 11781 1 14 . 1 1 139 139 PHE N N 139 122.454 122.454 119.960 2.494 18411 11782 1 14 . 1 1 139 139 PHE HA H 139 4.171 4.171 4.141 0.030 18411 11783 1 14 . 1 1 139 139 PHE C C 139 177.370 177.370 176.813 0.557 18411 11784 1 14 . 1 1 139 139 PHE CA C 139 62.690 62.690 61.439 1.251 18411 11785 1 14 . 1 1 139 139 PHE CB C 139 39.579 39.579 38.949 0.630 18411 11786 1 14 . 1 1 139 139 PHE H H 139 8.895 8.895 8.384 0.511 18411 11787 1 14 . 1 1 140 140 ALA N N 140 120.155 120.155 121.430 -1.275 18411 11788 1 14 . 1 1 140 140 ALA HA H 140 4.100 4.100 3.858 0.242 18411 11789 1 14 . 1 1 140 140 ALA C C 140 181.270 181.270 179.444 1.826 18411 11790 1 14 . 1 1 140 140 ALA CA C 140 55.203 55.203 55.402 -0.199 18411 11791 1 14 . 1 1 140 140 ALA CB C 140 17.716 17.716 17.904 -0.188 18411 11792 1 14 . 1 1 140 140 ALA H H 140 8.240 8.240 7.789 0.451 18411 11793 1 14 . 1 1 141 141 SER N N 141 114.095 114.095 115.165 -1.070 18411 11794 1 14 . 1 1 141 141 SER HA H 141 4.267 4.267 4.145 0.122 18411 11795 1 14 . 1 1 141 141 SER C C 141 176.895 176.895 176.446 0.449 18411 11796 1 14 . 1 1 141 141 SER CA C 141 61.291 61.291 62.230 -0.939 18411 11797 1 14 . 1 1 141 141 SER CB C 141 62.690 62.690 63.017 -0.327 18411 11798 1 14 . 1 1 141 141 SER H H 141 7.835 7.835 8.019 -0.184 18411 11799 1 14 . 1 1 142 142 LEU N N 142 126.764 126.764 122.833 3.931 18411 11800 1 14 . 1 1 142 142 LEU HA H 142 3.908 3.908 4.009 -0.101 18411 11801 1 14 . 1 1 142 142 LEU C C 142 176.876 176.876 177.837 -0.961 18411 11802 1 14 . 1 1 142 142 LEU CA C 142 58.757 58.757 57.934 0.823 18411 11803 1 14 . 1 1 142 142 LEU CB C 142 41.653 41.653 41.584 0.069 18411 11804 1 14 . 1 1 142 142 LEU H H 142 7.833 7.833 7.813 0.020 18411 11805 1 14 . 1 1 143 143 VAL N N 143 119.066 119.066 119.279 -0.213 18411 11806 1 14 . 1 1 143 143 VAL HA H 143 3.174 3.174 3.371 -0.197 18411 11807 1 14 . 1 1 143 143 VAL C C 143 178.479 178.479 178.036 0.443 18411 11808 1 14 . 1 1 143 143 VAL CA C 143 66.864 66.864 67.439 -0.575 18411 11809 1 14 . 1 1 143 143 VAL CB C 143 32.350 32.350 31.198 1.153 18411 11810 1 14 . 1 1 143 143 VAL H H 143 8.010 8.010 8.044 -0.034 18411 11811 1 14 . 1 1 144 144 GLN N N 144 118.170 118.170 117.703 0.467 18411 11812 1 14 . 1 1 144 144 GLN HA H 144 4.028 4.028 3.864 0.164 18411 11813 1 14 . 1 1 144 144 GLN C C 144 178.335 178.335 178.268 0.067 18411 11814 1 14 . 1 1 144 144 GLN CA C 144 59.591 59.591 59.121 0.470 18411 11815 1 14 . 1 1 144 144 GLN CB C 144 32.906 32.906 28.342 4.564 18411 11816 1 14 . 1 1 144 144 GLN H H 144 7.935 7.935 7.732 0.203 18411 11817 1 14 . 1 1 145 145 GLN N N 145 119.839 119.839 120.198 -0.359 18411 11818 1 14 . 1 1 145 145 GLN HA H 145 4.029 4.029 4.009 0.020 18411 11819 1 14 . 1 1 145 145 GLN C C 145 178.686 178.686 178.537 0.149 18411 11820 1 14 . 1 1 145 145 GLN CA C 145 59.270 59.270 59.005 0.265 18411 11821 1 14 . 1 1 145 145 GLN CB C 145 27.587 27.587 28.581 -0.994 18411 11822 1 14 . 1 1 145 145 GLN H H 145 7.986 7.986 8.015 -0.029 18411 11823 1 14 . 1 1 146 146 ILE N N 146 119.900 119.900 120.308 -0.408 18411 11824 1 14 . 1 1 146 146 ILE HA H 146 3.345 3.345 3.548 -0.203 18411 11825 1 14 . 1 1 146 146 ILE C C 146 177.393 177.393 177.971 -0.578 18411 11826 1 14 . 1 1 146 146 ILE CA C 146 66.902 66.902 65.220 1.682 18411 11827 1 14 . 1 1 146 146 ILE CB C 146 38.281 38.281 37.540 0.741 18411 11828 1 14 . 1 1 146 146 ILE H H 146 8.171 8.171 8.629 -0.458 18411 11829 1 14 . 1 1 147 147 ASN N N 147 116.163 116.163 117.567 -1.404 18411 11830 1 14 . 1 1 147 147 ASN HA H 147 4.196 4.196 4.313 -0.117 18411 11831 1 14 . 1 1 147 147 ASN C C 147 179.035 179.035 177.357 1.678 18411 11832 1 14 . 1 1 147 147 ASN CA C 147 56.348 56.348 56.107 0.241 18411 11833 1 14 . 1 1 147 147 ASN CB C 147 38.062 38.062 38.000 0.062 18411 11834 1 14 . 1 1 147 147 ASN H H 147 7.896 7.896 8.022 -0.126 18411 11835 1 14 . 1 1 148 148 GLU N N 148 118.645 118.645 118.937 -0.292 18411 11836 1 14 . 1 1 148 148 GLU HA H 148 3.970 3.970 4.281 -0.311 18411 11837 1 14 . 1 1 148 148 GLU C C 148 179.964 179.964 178.348 1.616 18411 11838 1 14 . 1 1 148 148 GLU CA C 148 59.340 59.340 57.714 1.626 18411 11839 1 14 . 1 1 148 148 GLU CB C 148 29.572 29.572 29.610 -0.038 18411 11840 1 14 . 1 1 148 148 GLU H H 148 8.311 8.311 7.625 0.686 18411 11841 1 14 . 1 1 149 149 MET N N 149 119.218 119.218 119.416 -0.198 18411 11842 1 14 . 1 1 149 149 MET HA H 149 4.140 4.140 4.126 0.014 18411 11843 1 14 . 1 1 149 149 MET C C 149 179.419 179.419 178.393 1.026 18411 11844 1 14 . 1 1 149 149 MET CA C 149 59.040 59.040 57.888 1.152 18411 11845 1 14 . 1 1 149 149 MET CB C 149 35.293 35.293 31.979 3.314 18411 11846 1 14 . 1 1 149 149 MET H H 149 8.527 8.527 8.133 0.394 18411 11847 1 14 . 1 1 150 150 LEU N N 150 118.078 118.078 116.213 1.865 18411 11848 1 14 . 1 1 150 150 LEU HA H 150 4.245 4.245 4.022 0.223 18411 11849 1 14 . 1 1 150 150 LEU C C 150 178.141 178.141 179.210 -1.069 18411 11850 1 14 . 1 1 150 150 LEU CA C 150 55.824 55.824 57.666 -1.842 18411 11851 1 14 . 1 1 150 150 LEU CB C 150 41.533 41.533 41.197 0.336 18411 11852 1 14 . 1 1 150 150 LEU H H 150 7.917 7.917 7.823 0.094 18411 11853 1 14 . 1 1 151 151 LYS N N 151 120.096 120.096 116.047 4.049 18411 11854 1 14 . 1 1 151 151 LYS HA H 151 4.181 4.181 4.196 -0.015 18411 11855 1 14 . 1 1 151 151 LYS C C 151 177.029 177.029 177.319 -0.290 18411 11856 1 14 . 1 1 151 151 LYS CA C 151 57.490 57.490 55.079 2.411 18411 11857 1 14 . 1 1 151 151 LYS CB C 151 32.921 32.921 32.398 0.523 18411 11858 1 14 . 1 1 151 151 LYS H H 151 7.466 7.466 7.524 -0.058 18411 11859 1 14 . 1 1 152 152 GLU N N 152 120.188 120.188 118.788 1.400 18411 11860 1 14 . 1 1 152 152 GLU HA H 152 4.264 4.264 3.734 0.530 18411 11861 1 14 . 1 1 152 152 GLU C C 152 177.259 177.259 177.067 0.192 18411 11862 1 14 . 1 1 152 152 GLU CA C 152 57.070 57.070 58.201 -1.131 18411 11863 1 14 . 1 1 152 152 GLU CB C 152 30.385 30.385 28.555 1.830 18411 11864 1 14 . 1 1 152 152 GLU H H 152 7.820 7.820 8.438 -0.618 18411 11865 1 14 . 1 1 153 153 GLY N N 153 109.046 109.046 107.372 1.674 18411 11866 1 14 . 1 1 153 153 GLY C C 153 174.204 174.204 174.219 -0.015 18411 11867 1 14 . 1 1 153 153 GLY CA C 153 45.327 45.327 45.497 -0.170 18411 11868 1 14 . 1 1 153 153 GLY H H 153 8.278 8.278 8.710 -0.432 18411 11869 1 14 . 1 1 158 158 HIS HA H 158 4.606 4.606 4.570 0.036 18411 11870 1 14 . 1 1 158 158 HIS C C 158 174.423 174.423 173.616 0.807 18411 11871 1 14 . 1 1 158 158 HIS CA C 158 56.235 56.235 56.128 0.107 18411 11872 1 14 . 1 1 158 158 HIS CB C 158 31.028 31.028 31.263 -0.235 18411 11873 1 15 . 1 1 3 3 LEU HA H 3 3.930 3.930 4.163 -0.233 18411 11874 1 15 . 1 1 3 3 LEU CA C 3 58.669 58.669 54.714 3.955 18411 11875 1 15 . 1 1 3 3 LEU CB C 3 42.010 42.010 42.163 -0.153 18411 11876 1 15 . 1 1 4 4 GLY C C 4 173.604 173.604 173.444 0.160 18411 11877 1 15 . 1 1 4 4 GLY CA C 4 46.072 46.072 44.873 1.198 18411 11878 1 15 . 1 1 5 5 TYR N N 5 116.195 116.195 122.344 -6.149 18411 11879 1 15 . 1 1 5 5 TYR HA H 5 4.769 4.769 4.509 0.260 18411 11880 1 15 . 1 1 5 5 TYR C C 5 177.898 177.898 176.089 1.809 18411 11881 1 15 . 1 1 5 5 TYR CA C 5 60.102 60.102 58.983 1.119 18411 11882 1 15 . 1 1 5 5 TYR CB C 5 39.615 39.615 39.347 0.268 18411 11883 1 15 . 1 1 5 5 TYR H H 5 7.849 7.849 7.954 -0.105 18411 11884 1 15 . 1 1 6 6 ILE N N 6 115.338 115.338 121.103 -5.765 18411 11885 1 15 . 1 1 6 6 ILE HA H 6 4.514 4.514 4.309 0.205 18411 11886 1 15 . 1 1 6 6 ILE C C 6 175.977 175.977 175.729 0.248 18411 11887 1 15 . 1 1 6 6 ILE CA C 6 61.623 61.623 62.053 -0.430 18411 11888 1 15 . 1 1 6 6 ILE CB C 6 38.270 38.270 38.866 -0.596 18411 11889 1 15 . 1 1 6 6 ILE H H 6 8.687 8.687 7.941 0.746 18411 11890 1 15 . 1 1 7 7 VAL N N 7 113.122 113.122 116.912 -3.790 18411 11891 1 15 . 1 1 7 7 VAL HA H 7 4.730 4.730 4.563 0.167 18411 11892 1 15 . 1 1 7 7 VAL C C 7 174.331 174.331 174.637 -0.306 18411 11893 1 15 . 1 1 7 7 VAL CA C 7 58.867 58.867 60.381 -1.514 18411 11894 1 15 . 1 1 7 7 VAL CB C 7 34.475 34.475 33.914 0.561 18411 11895 1 15 . 1 1 7 7 VAL H H 7 6.845 6.845 7.474 -0.629 18411 11896 1 15 . 1 1 8 8 ARG N N 8 117.597 117.597 122.383 -4.786 18411 11897 1 15 . 1 1 8 8 ARG HA H 8 4.539 4.539 4.589 -0.050 18411 11898 1 15 . 1 1 8 8 ARG C C 8 175.618 175.618 175.067 0.551 18411 11899 1 15 . 1 1 8 8 ARG CA C 8 53.717 53.717 54.107 -0.390 18411 11900 1 15 . 1 1 8 8 ARG CB C 8 34.126 34.126 33.169 0.957 18411 11901 1 15 . 1 1 8 8 ARG H H 8 7.978 7.978 8.299 -0.321 18411 11902 1 15 . 1 1 9 9 ILE N N 9 118.377 118.377 121.175 -2.798 18411 11903 1 15 . 1 1 9 9 ILE HA H 9 3.465 3.465 4.037 -0.572 18411 11904 1 15 . 1 1 9 9 ILE C C 9 177.771 177.771 177.306 0.465 18411 11905 1 15 . 1 1 9 9 ILE CA C 9 62.350 62.350 62.641 -0.291 18411 11906 1 15 . 1 1 9 9 ILE CB C 9 37.049 37.049 36.853 0.195 18411 11907 1 15 . 1 1 9 9 ILE H H 9 8.085 8.085 8.483 -0.398 18411 11908 1 15 . 1 1 10 10 GLY N N 10 115.204 115.204 115.365 -0.161 18411 11909 1 15 . 1 1 10 10 GLY C C 10 174.235 174.235 174.588 -0.353 18411 11910 1 15 . 1 1 10 10 GLY CA C 10 44.763 44.763 44.734 0.029 18411 11911 1 15 . 1 1 10 10 GLY H H 10 9.149 9.149 9.163 -0.014 18411 11912 1 15 . 1 1 11 11 GLU N N 11 119.157 119.157 122.418 -3.261 18411 11913 1 15 . 1 1 11 11 GLU HA H 11 4.392 4.392 4.369 0.023 18411 11914 1 15 . 1 1 11 11 GLU C C 11 176.729 176.729 175.883 0.846 18411 11915 1 15 . 1 1 11 11 GLU CA C 11 55.108 55.108 56.087 -0.979 18411 11916 1 15 . 1 1 11 11 GLU CB C 11 31.473 31.473 30.373 1.100 18411 11917 1 15 . 1 1 11 11 GLU H H 11 7.631 7.631 7.736 -0.105 18411 11918 1 15 . 1 1 12 12 MET N N 12 119.646 119.646 121.198 -1.552 18411 11919 1 15 . 1 1 12 12 MET HA H 12 4.593 4.593 4.665 -0.072 18411 11920 1 15 . 1 1 12 12 MET C C 12 177.162 177.162 176.713 0.449 18411 11921 1 15 . 1 1 12 12 MET CA C 12 54.475 54.475 55.530 -1.055 18411 11922 1 15 . 1 1 12 12 MET CB C 12 30.749 30.749 33.602 -2.853 18411 11923 1 15 . 1 1 12 12 MET H H 12 8.566 8.566 8.461 0.105 18411 11924 1 15 . 1 1 13 13 ALA N N 13 129.735 129.735 127.676 2.059 18411 11925 1 15 . 1 1 13 13 ALA HA H 13 4.293 4.293 4.651 -0.358 18411 11926 1 15 . 1 1 13 13 ALA C C 13 175.992 175.992 175.655 0.337 18411 11927 1 15 . 1 1 13 13 ALA CA C 13 50.676 50.676 50.390 0.286 18411 11928 1 15 . 1 1 13 13 ALA CB C 13 18.125 18.125 18.391 -0.266 18411 11929 1 15 . 1 1 13 13 ALA H H 13 8.626 8.626 8.676 -0.050 18411 11930 1 15 . 1 1 14 14 PRO HA H 14 4.253 4.253 4.384 -0.131 18411 11931 1 15 . 1 1 14 14 PRO C C 14 176.066 176.066 175.955 0.111 18411 11932 1 15 . 1 1 14 14 PRO CA C 14 63.478 63.478 62.557 0.921 18411 11933 1 15 . 1 1 14 14 PRO CB C 14 32.987 32.987 32.091 0.896 18411 11934 1 15 . 1 1 15 15 ASP N N 15 123.075 123.075 123.211 -0.136 18411 11935 1 15 . 1 1 15 15 ASP HA H 15 4.700 4.700 4.446 0.254 18411 11936 1 15 . 1 1 15 15 ASP C C 15 176.067 176.067 175.409 0.658 18411 11937 1 15 . 1 1 15 15 ASP CA C 15 53.628 53.628 54.748 -1.120 18411 11938 1 15 . 1 1 15 15 ASP CB C 15 41.613 41.613 41.978 -0.365 18411 11939 1 15 . 1 1 15 15 ASP H H 15 8.373 8.373 8.347 0.026 18411 11940 1 15 . 1 1 16 16 PHE N N 16 114.256 114.256 117.432 -3.176 18411 11941 1 15 . 1 1 16 16 PHE HA H 16 4.869 4.869 4.915 -0.046 18411 11942 1 15 . 1 1 16 16 PHE C C 16 173.028 173.028 173.778 -0.750 18411 11943 1 15 . 1 1 16 16 PHE CA C 16 56.721 56.721 56.587 0.134 18411 11944 1 15 . 1 1 16 16 PHE CB C 16 40.560 40.560 41.973 -1.413 18411 11945 1 15 . 1 1 16 16 PHE H H 16 7.950 7.950 7.797 0.153 18411 11946 1 15 . 1 1 17 17 THR N N 17 116.459 116.459 118.149 -1.690 18411 11947 1 15 . 1 1 17 17 THR HA H 17 5.244 5.244 5.236 0.008 18411 11948 1 15 . 1 1 17 17 THR C C 17 172.722 172.722 173.548 -0.826 18411 11949 1 15 . 1 1 17 17 THR CA C 17 62.061 62.061 61.608 0.453 18411 11950 1 15 . 1 1 17 17 THR CB C 17 70.882 70.882 69.593 1.289 18411 11951 1 15 . 1 1 17 17 THR H H 17 8.596 8.596 8.482 0.114 18411 11952 1 15 . 1 1 18 18 ILE N N 18 128.165 128.165 127.805 0.360 18411 11953 1 15 . 1 1 18 18 ILE HA H 18 4.995 4.995 4.610 0.385 18411 11954 1 15 . 1 1 18 18 ILE C C 18 172.309 172.309 173.733 -1.424 18411 11955 1 15 . 1 1 18 18 ILE CA C 18 59.123 59.123 59.233 -0.110 18411 11956 1 15 . 1 1 18 18 ILE CB C 18 43.984 43.984 41.795 2.189 18411 11957 1 15 . 1 1 18 18 ILE H H 18 9.574 9.574 9.031 0.543 18411 11958 1 15 . 1 1 19 19 THR N N 19 124.473 124.473 123.842 0.631 18411 11959 1 15 . 1 1 19 19 THR HA H 19 4.821 4.821 4.804 0.017 18411 11960 1 15 . 1 1 19 19 THR C C 19 174.104 174.104 174.288 -0.184 18411 11961 1 15 . 1 1 19 19 THR CA C 19 62.316 62.316 62.280 0.036 18411 11962 1 15 . 1 1 19 19 THR CB C 19 69.287 69.287 69.485 -0.198 18411 11963 1 15 . 1 1 19 19 THR H H 19 9.081 9.081 8.701 0.380 18411 11964 1 15 . 1 1 20 20 LEU N N 20 125.167 125.167 126.404 -1.237 18411 11965 1 15 . 1 1 20 20 LEU HA H 20 5.082 5.082 4.652 0.430 18411 11966 1 15 . 1 1 20 20 LEU C C 20 181.023 181.023 179.445 1.578 18411 11967 1 15 . 1 1 20 20 LEU CA C 20 54.191 54.191 54.183 0.008 18411 11968 1 15 . 1 1 20 20 LEU CB C 20 42.219 42.219 42.786 -0.567 18411 11969 1 15 . 1 1 20 20 LEU H H 20 9.227 9.227 9.093 0.134 18411 11970 1 15 . 1 1 21 21 THR N N 21 109.887 109.887 113.650 -3.763 18411 11971 1 15 . 1 1 21 21 THR HA H 21 3.831 3.831 4.015 -0.184 18411 11972 1 15 . 1 1 21 21 THR C C 21 174.716 174.716 174.975 -0.259 18411 11973 1 15 . 1 1 21 21 THR CA C 21 64.992 64.992 65.487 -0.495 18411 11974 1 15 . 1 1 21 21 THR CB C 21 68.529 68.529 68.666 -0.137 18411 11975 1 15 . 1 1 21 21 THR H H 21 8.603 8.603 8.601 0.002 18411 11976 1 15 . 1 1 22 22 ASP N N 22 117.311 117.311 118.229 -0.918 18411 11977 1 15 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.628 -0.034 18411 11978 1 15 . 1 1 22 22 ASP C C 22 177.771 177.771 176.878 0.893 18411 11979 1 15 . 1 1 22 22 ASP CA C 22 53.173 53.173 53.203 -0.030 18411 11980 1 15 . 1 1 22 22 ASP CB C 22 40.449 40.449 39.800 0.649 18411 11981 1 15 . 1 1 22 22 ASP H H 22 7.530 7.530 7.877 -0.347 18411 11982 1 15 . 1 1 23 23 GLY N N 23 108.847 108.847 108.910 -0.063 18411 11983 1 15 . 1 1 23 23 GLY C C 23 174.806 174.806 174.421 0.385 18411 11984 1 15 . 1 1 23 23 GLY CA C 23 45.028 45.028 45.206 -0.178 18411 11985 1 15 . 1 1 23 23 GLY H H 23 8.203 8.203 7.859 0.344 18411 11986 1 15 . 1 1 24 24 LYS N N 24 122.092 122.092 122.504 -0.412 18411 11987 1 15 . 1 1 24 24 LYS HA H 24 4.267 4.267 4.264 0.003 18411 11988 1 15 . 1 1 24 24 LYS C C 24 175.350 175.350 175.985 -0.635 18411 11989 1 15 . 1 1 24 24 LYS CA C 24 57.060 57.060 55.402 1.658 18411 11990 1 15 . 1 1 24 24 LYS CB C 24 33.271 33.271 32.288 0.984 18411 11991 1 15 . 1 1 24 24 LYS H H 24 7.881 7.881 7.714 0.167 18411 11992 1 15 . 1 1 25 25 GLN N N 25 119.585 119.585 124.885 -5.300 18411 11993 1 15 . 1 1 25 25 GLN HA H 25 5.561 5.561 5.262 0.299 18411 11994 1 15 . 1 1 25 25 GLN C C 25 176.631 176.631 175.657 0.974 18411 11995 1 15 . 1 1 25 25 GLN CA C 25 54.572 54.572 55.158 -0.586 18411 11996 1 15 . 1 1 25 25 GLN CB C 25 31.621 31.621 29.691 1.930 18411 11997 1 15 . 1 1 25 25 GLN H H 25 8.365 8.365 8.658 -0.293 18411 11998 1 15 . 1 1 26 26 VAL N N 26 123.115 123.115 121.851 1.264 18411 11999 1 15 . 1 1 26 26 VAL HA H 26 4.466 4.466 4.617 -0.151 18411 12000 1 15 . 1 1 26 26 VAL C C 26 174.390 174.390 174.144 0.246 18411 12001 1 15 . 1 1 26 26 VAL CA C 26 61.142 61.142 59.287 1.855 18411 12002 1 15 . 1 1 26 26 VAL CB C 26 35.962 35.962 34.601 1.361 18411 12003 1 15 . 1 1 26 26 VAL H H 26 9.069 9.069 8.990 0.079 18411 12004 1 15 . 1 1 27 27 THR N N 27 122.509 122.509 118.398 4.111 18411 12005 1 15 . 1 1 27 27 THR HA H 27 5.437 5.437 5.115 0.322 18411 12006 1 15 . 1 1 27 27 THR C C 27 176.330 176.330 174.882 1.448 18411 12007 1 15 . 1 1 27 27 THR CA C 27 60.068 60.068 59.925 0.143 18411 12008 1 15 . 1 1 27 27 THR CB C 27 70.655 70.655 71.742 -1.087 18411 12009 1 15 . 1 1 27 27 THR H H 27 8.256 8.256 8.060 0.196 18411 12010 1 15 . 1 1 28 28 LEU N N 28 131.816 131.816 124.890 6.926 18411 12011 1 15 . 1 1 28 28 LEU HA H 28 3.607 3.607 3.822 -0.215 18411 12012 1 15 . 1 1 28 28 LEU C C 28 180.093 180.093 178.693 1.400 18411 12013 1 15 . 1 1 28 28 LEU CA C 28 59.264 59.264 57.448 1.816 18411 12014 1 15 . 1 1 28 28 LEU CB C 28 39.396 39.396 41.951 -2.555 18411 12015 1 15 . 1 1 28 28 LEU H H 28 8.311 8.311 8.357 -0.046 18411 12016 1 15 . 1 1 29 29 SER N N 29 114.727 114.727 114.313 0.414 18411 12017 1 15 . 1 1 29 29 SER HA H 29 4.003 4.003 4.155 -0.152 18411 12018 1 15 . 1 1 29 29 SER C C 29 177.762 177.762 175.875 1.887 18411 12019 1 15 . 1 1 29 29 SER CA C 29 60.896 60.896 61.105 -0.209 18411 12020 1 15 . 1 1 29 29 SER CB C 29 61.091 61.091 62.794 -1.704 18411 12021 1 15 . 1 1 29 29 SER H H 29 9.491 9.491 9.025 0.466 18411 12022 1 15 . 1 1 30 30 SER N N 30 119.100 119.100 116.274 2.826 18411 12023 1 15 . 1 1 30 30 SER HA H 30 4.476 4.476 4.441 0.035 18411 12024 1 15 . 1 1 30 30 SER C C 30 175.104 175.104 175.243 -0.139 18411 12025 1 15 . 1 1 30 30 SER CA C 30 60.661 60.661 59.749 0.912 18411 12026 1 15 . 1 1 30 30 SER CB C 30 63.174 63.174 63.481 -0.307 18411 12027 1 15 . 1 1 30 30 SER H H 30 7.878 7.878 7.617 0.261 18411 12028 1 15 . 1 1 31 31 LEU N N 31 121.415 121.415 120.035 1.380 18411 12029 1 15 . 1 1 31 31 LEU HA H 31 4.258 4.258 4.367 -0.109 18411 12030 1 15 . 1 1 31 31 LEU C C 31 175.710 175.710 176.341 -0.631 18411 12031 1 15 . 1 1 31 31 LEU CA C 31 53.804 53.804 54.246 -0.442 18411 12032 1 15 . 1 1 31 31 LEU CB C 31 41.285 41.285 42.288 -1.004 18411 12033 1 15 . 1 1 31 31 LEU H H 31 8.026 8.026 7.386 0.640 18411 12034 1 15 . 1 1 32 32 ARG N N 32 119.061 119.061 120.853 -1.792 18411 12035 1 15 . 1 1 32 32 ARG HA H 32 4.411 4.411 4.120 0.290 18411 12036 1 15 . 1 1 32 32 ARG C C 32 177.585 177.585 177.044 0.541 18411 12037 1 15 . 1 1 32 32 ARG CA C 32 57.590 57.590 57.838 -0.248 18411 12038 1 15 . 1 1 32 32 ARG CB C 32 29.497 29.497 29.875 -0.378 18411 12039 1 15 . 1 1 32 32 ARG H H 32 6.788 6.788 7.342 -0.554 18411 12040 1 15 . 1 1 33 33 GLY N N 33 114.033 114.033 112.140 1.893 18411 12041 1 15 . 1 1 33 33 GLY C C 33 173.456 173.456 173.105 0.351 18411 12042 1 15 . 1 1 33 33 GLY CA C 33 44.684 44.684 44.928 -0.244 18411 12043 1 15 . 1 1 33 33 GLY H H 33 9.120 9.120 8.398 0.722 18411 12044 1 15 . 1 1 34 34 LYS N N 34 120.270 120.270 118.787 1.483 18411 12045 1 15 . 1 1 34 34 LYS HA H 34 4.606 4.606 5.065 -0.459 18411 12046 1 15 . 1 1 34 34 LYS C C 34 175.350 175.350 175.367 -0.017 18411 12047 1 15 . 1 1 34 34 LYS CA C 34 54.786 54.786 54.061 0.725 18411 12048 1 15 . 1 1 34 34 LYS CB C 34 34.125 34.125 35.316 -1.191 18411 12049 1 15 . 1 1 34 34 LYS H H 34 8.146 8.146 7.602 0.544 18411 12050 1 15 . 1 1 35 35 VAL N N 35 122.059 122.059 124.005 -1.946 18411 12051 1 15 . 1 1 35 35 VAL HA H 35 4.020 4.020 4.261 -0.241 18411 12052 1 15 . 1 1 35 35 VAL C C 35 174.699 174.699 174.191 0.508 18411 12053 1 15 . 1 1 35 35 VAL CA C 35 63.108 63.108 61.742 1.366 18411 12054 1 15 . 1 1 35 35 VAL CB C 35 33.022 33.022 31.855 1.167 18411 12055 1 15 . 1 1 35 35 VAL H H 35 8.757 8.757 8.737 0.020 18411 12056 1 15 . 1 1 36 36 VAL N N 36 125.815 125.815 130.612 -4.797 18411 12057 1 15 . 1 1 36 36 VAL HA H 36 4.856 4.856 4.620 0.236 18411 12058 1 15 . 1 1 36 36 VAL C C 36 174.622 174.622 174.417 0.205 18411 12059 1 15 . 1 1 36 36 VAL CA C 36 60.078 60.078 61.172 -1.093 18411 12060 1 15 . 1 1 36 36 VAL CB C 36 35.605 35.605 33.189 2.416 18411 12061 1 15 . 1 1 36 36 VAL H H 36 8.485 8.485 8.428 0.057 18411 12062 1 15 . 1 1 37 37 MET N N 37 126.478 126.478 128.123 -1.645 18411 12063 1 15 . 1 1 37 37 MET HA H 37 5.383 5.383 5.158 0.225 18411 12064 1 15 . 1 1 37 37 MET C C 37 173.473 173.473 173.965 -0.492 18411 12065 1 15 . 1 1 37 37 MET CA C 37 53.661 53.661 54.359 -0.698 18411 12066 1 15 . 1 1 37 37 MET CB C 37 35.948 35.948 34.723 1.225 18411 12067 1 15 . 1 1 37 37 MET H H 37 8.694 8.694 9.033 -0.339 18411 12068 1 15 . 1 1 38 38 LEU N N 38 124.275 124.275 127.972 -3.697 18411 12069 1 15 . 1 1 38 38 LEU HA H 38 5.100 5.100 4.967 0.133 18411 12070 1 15 . 1 1 38 38 LEU C C 38 175.828 175.828 175.104 0.724 18411 12071 1 15 . 1 1 38 38 LEU CA C 38 52.144 52.144 53.416 -1.272 18411 12072 1 15 . 1 1 38 38 LEU CB C 38 42.898 42.898 42.809 0.089 18411 12073 1 15 . 1 1 38 38 LEU H H 38 9.181 9.181 9.356 -0.175 18411 12074 1 15 . 1 1 39 39 GLN N N 39 124.390 124.390 124.817 -0.427 18411 12075 1 15 . 1 1 39 39 GLN HA H 39 5.369 5.369 4.746 0.623 18411 12076 1 15 . 1 1 39 39 GLN C C 39 175.696 175.696 174.371 1.325 18411 12077 1 15 . 1 1 39 39 GLN CA C 39 54.025 54.025 53.934 0.091 18411 12078 1 15 . 1 1 39 39 GLN CB C 39 28.735 28.735 30.534 -1.799 18411 12079 1 15 . 1 1 39 39 GLN H H 39 8.325 8.325 8.660 -0.335 18411 12080 1 15 . 1 1 40 40 PHE N N 40 128.800 128.800 128.681 0.119 18411 12081 1 15 . 1 1 40 40 PHE HA H 40 5.182 5.182 5.641 -0.459 18411 12082 1 15 . 1 1 40 40 PHE C C 40 175.432 175.432 175.733 -0.301 18411 12083 1 15 . 1 1 40 40 PHE CA C 40 59.370 59.370 57.757 1.613 18411 12084 1 15 . 1 1 40 40 PHE CB C 40 39.256 39.256 40.637 -1.381 18411 12085 1 15 . 1 1 40 40 PHE H H 40 8.899 8.899 9.607 -0.708 18411 12086 1 15 . 1 1 41 41 THR N N 41 117.616 117.616 115.420 2.196 18411 12087 1 15 . 1 1 41 41 THR HA H 41 5.274 5.274 4.614 0.660 18411 12088 1 15 . 1 1 41 41 THR C C 41 170.795 170.795 171.629 -0.834 18411 12089 1 15 . 1 1 41 41 THR CA C 41 59.448 59.448 60.036 -0.588 18411 12090 1 15 . 1 1 41 41 THR CB C 41 70.892 70.892 70.338 0.554 18411 12091 1 15 . 1 1 41 41 THR H H 41 8.589 8.589 9.075 -0.486 18411 12092 1 15 . 1 1 42 42 ALA N N 42 122.005 122.005 120.298 1.707 18411 12093 1 15 . 1 1 42 42 ALA HA H 42 4.162 4.162 4.659 -0.497 18411 12094 1 15 . 1 1 42 42 ALA C C 42 177.618 177.618 176.044 1.574 18411 12095 1 15 . 1 1 42 42 ALA CA C 42 52.454 52.454 51.091 1.363 18411 12096 1 15 . 1 1 42 42 ALA CB C 42 20.704 20.704 21.153 -0.449 18411 12097 1 15 . 1 1 42 42 ALA H H 42 7.201 7.201 7.971 -0.770 18411 12098 1 15 . 1 1 43 43 SER N N 43 117.426 117.426 115.260 2.166 18411 12099 1 15 . 1 1 43 43 SER HA H 43 1.542 1.542 2.367 -0.825 18411 12100 1 15 . 1 1 43 43 SER C C 43 174.845 174.845 174.433 0.412 18411 12101 1 15 . 1 1 43 43 SER CA C 43 60.202 60.202 60.375 -0.173 18411 12102 1 15 . 1 1 43 43 SER CB C 43 63.040 63.040 62.919 0.122 18411 12103 1 15 . 1 1 43 43 SER H H 43 9.472 9.472 8.317 1.155 18411 12104 1 15 . 1 1 44 44 TRP N N 44 116.512 116.512 115.784 0.728 18411 12105 1 15 . 1 1 44 44 TRP HA H 44 4.495 4.495 4.775 -0.280 18411 12106 1 15 . 1 1 44 44 TRP C C 44 176.297 176.297 174.854 1.443 18411 12107 1 15 . 1 1 44 44 TRP CA C 44 53.405 53.405 54.804 -1.399 18411 12108 1 15 . 1 1 44 44 TRP CB C 44 29.450 29.450 28.343 1.107 18411 12109 1 15 . 1 1 44 44 TRP H H 44 6.345 6.345 7.083 -0.738 18411 12110 1 15 . 1 1 45 45 CYS N N 45 125.015 125.015 122.197 2.818 18411 12111 1 15 . 1 1 45 45 CYS HA H 45 4.501 4.501 4.399 0.102 18411 12112 1 15 . 1 1 45 45 CYS C C 45 176.409 176.409 176.160 0.249 18411 12113 1 15 . 1 1 45 45 CYS CA C 45 58.904 58.904 60.003 -1.099 18411 12114 1 15 . 1 1 45 45 CYS CB C 45 28.203 28.203 27.075 1.128 18411 12115 1 15 . 1 1 45 45 CYS H H 45 6.982 6.982 7.373 -0.391 18411 12116 1 15 . 1 1 46 46 GLY CA C 46 47.225 47.225 46.469 0.756 18411 12117 1 15 . 1 1 47 47 VAL HA H 47 3.804 3.804 3.857 -0.053 18411 12118 1 15 . 1 1 47 47 VAL CA C 47 66.661 66.661 65.081 1.580 18411 12119 1 15 . 1 1 47 47 VAL CB C 47 31.506 31.506 31.141 0.365 18411 12120 1 15 . 1 1 48 48 CYS HA H 48 3.875 3.875 4.486 -0.611 18411 12121 1 15 . 1 1 48 48 CYS C C 48 177.961 177.961 175.644 2.317 18411 12122 1 15 . 1 1 48 48 CYS CA C 48 65.053 65.053 60.189 4.864 18411 12123 1 15 . 1 1 48 48 CYS CB C 48 28.741 28.741 26.704 2.037 18411 12124 1 15 . 1 1 49 49 ARG N N 49 115.039 115.039 119.931 -4.892 18411 12125 1 15 . 1 1 49 49 ARG HA H 49 3.898 3.898 4.106 -0.208 18411 12126 1 15 . 1 1 49 49 ARG C C 49 177.871 177.871 176.735 1.136 18411 12127 1 15 . 1 1 49 49 ARG CA C 49 59.837 59.837 58.305 1.532 18411 12128 1 15 . 1 1 49 49 ARG CB C 49 30.585 30.585 30.041 0.544 18411 12129 1 15 . 1 1 49 49 ARG H H 49 7.658 7.658 7.546 0.112 18411 12130 1 15 . 1 1 50 50 LYS N N 50 117.909 117.909 119.343 -1.434 18411 12131 1 15 . 1 1 50 50 LYS HA H 50 4.098 4.098 4.204 -0.106 18411 12132 1 15 . 1 1 50 50 LYS C C 50 177.723 177.723 177.670 0.053 18411 12133 1 15 . 1 1 50 50 LYS CA C 50 58.198 58.198 57.829 0.369 18411 12134 1 15 . 1 1 50 50 LYS CB C 50 32.803 32.803 32.434 0.369 18411 12135 1 15 . 1 1 50 50 LYS H H 50 7.385 7.385 7.936 -0.551 18411 12136 1 15 . 1 1 51 51 GLU N N 51 117.196 117.196 119.960 -2.764 18411 12137 1 15 . 1 1 51 51 GLU HA H 51 3.453 3.453 3.574 -0.121 18411 12138 1 15 . 1 1 51 51 GLU C C 51 179.194 179.194 178.984 0.210 18411 12139 1 15 . 1 1 51 51 GLU CA C 51 57.754 57.754 59.010 -1.256 18411 12140 1 15 . 1 1 51 51 GLU CB C 51 29.825 29.825 29.062 0.763 18411 12141 1 15 . 1 1 51 51 GLU H H 51 7.764 7.764 7.419 0.345 18411 12142 1 15 . 1 1 52 52 MET N N 52 118.785 118.785 120.198 -1.413 18411 12143 1 15 . 1 1 52 52 MET HA H 52 3.979 3.979 4.497 -0.518 18411 12144 1 15 . 1 1 52 52 MET C C 52 174.346 174.346 175.520 -1.174 18411 12145 1 15 . 1 1 52 52 MET CA C 52 62.384 62.384 61.561 0.823 18411 12146 1 15 . 1 1 52 52 MET CB C 52 32.805 32.805 30.442 2.362 18411 12147 1 15 . 1 1 52 52 MET H H 52 8.100 8.100 8.624 -0.524 18411 12148 1 15 . 1 1 53 53 PRO HA H 53 4.299 4.299 4.423 -0.124 18411 12149 1 15 . 1 1 53 53 PRO C C 53 179.242 179.242 179.736 -0.494 18411 12150 1 15 . 1 1 53 53 PRO CA C 53 65.708 65.708 66.153 -0.446 18411 12151 1 15 . 1 1 53 53 PRO CB C 53 31.570 31.570 31.252 0.318 18411 12152 1 15 . 1 1 54 54 PHE N N 54 116.067 116.067 117.112 -1.045 18411 12153 1 15 . 1 1 54 54 PHE HA H 54 4.372 4.372 4.357 0.015 18411 12154 1 15 . 1 1 54 54 PHE C C 54 178.283 178.283 178.506 -0.223 18411 12155 1 15 . 1 1 54 54 PHE CA C 54 61.249 61.249 62.336 -1.087 18411 12156 1 15 . 1 1 54 54 PHE CB C 54 38.366 38.366 38.776 -0.410 18411 12157 1 15 . 1 1 54 54 PHE H H 54 7.251 7.251 7.678 -0.427 18411 12158 1 15 . 1 1 55 55 ILE N N 55 122.051 122.051 121.064 0.987 18411 12159 1 15 . 1 1 55 55 ILE HA H 55 3.746 3.746 3.835 -0.089 18411 12160 1 15 . 1 1 55 55 ILE C C 55 179.005 179.005 178.131 0.874 18411 12161 1 15 . 1 1 55 55 ILE CA C 55 66.678 66.678 66.361 0.317 18411 12162 1 15 . 1 1 55 55 ILE CB C 55 37.449 37.449 37.868 -0.419 18411 12163 1 15 . 1 1 55 55 ILE H H 55 7.935 7.935 9.096 -1.161 18411 12164 1 15 . 1 1 56 56 GLU N N 56 120.941 120.941 118.783 2.158 18411 12165 1 15 . 1 1 56 56 GLU HA H 56 4.578 4.578 4.181 0.397 18411 12166 1 15 . 1 1 56 56 GLU C C 56 177.034 177.034 178.768 -1.734 18411 12167 1 15 . 1 1 56 56 GLU CA C 56 59.607 59.607 59.800 -0.193 18411 12168 1 15 . 1 1 56 56 GLU CB C 56 29.640 29.640 29.201 0.439 18411 12169 1 15 . 1 1 56 56 GLU H H 56 8.657 8.657 9.001 -0.344 18411 12170 1 15 . 1 1 57 57 LYS N N 57 114.712 114.712 120.107 -5.395 18411 12171 1 15 . 1 1 57 57 LYS HA H 57 4.165 4.165 4.123 0.042 18411 12172 1 15 . 1 1 57 57 LYS C C 57 177.831 177.831 178.651 -0.820 18411 12173 1 15 . 1 1 57 57 LYS CA C 57 59.905 59.905 59.732 0.173 18411 12174 1 15 . 1 1 57 57 LYS CB C 57 33.873 33.873 32.675 1.198 18411 12175 1 15 . 1 1 57 57 LYS H H 57 7.719 7.719 7.798 -0.079 18411 12176 1 15 . 1 1 58 58 ASP N N 58 114.953 114.953 117.365 -2.412 18411 12177 1 15 . 1 1 58 58 ASP HA H 58 4.843 4.843 4.721 0.122 18411 12178 1 15 . 1 1 58 58 ASP C C 58 176.515 176.515 177.321 -0.806 18411 12179 1 15 . 1 1 58 58 ASP CA C 58 56.125 56.125 56.138 -0.013 18411 12180 1 15 . 1 1 58 58 ASP CB C 58 42.087 42.087 42.396 -0.309 18411 12181 1 15 . 1 1 58 58 ASP H H 58 8.783 8.783 8.518 0.265 18411 12182 1 15 . 1 1 59 59 ILE N N 59 115.807 115.807 118.917 -3.110 18411 12183 1 15 . 1 1 59 59 ILE HA H 59 4.268 4.268 4.247 0.021 18411 12184 1 15 . 1 1 59 59 ILE C C 59 176.369 176.369 177.030 -0.661 18411 12185 1 15 . 1 1 59 59 ILE CA C 59 63.757 63.757 63.089 0.668 18411 12186 1 15 . 1 1 59 59 ILE CB C 59 40.396 40.396 39.577 0.820 18411 12187 1 15 . 1 1 59 59 ILE H H 59 7.455 7.455 8.088 -0.633 18411 12188 1 15 . 1 1 60 60 TRP N N 60 120.937 120.937 121.986 -1.049 18411 12189 1 15 . 1 1 60 60 TRP HA H 60 4.727 4.727 4.484 0.243 18411 12190 1 15 . 1 1 60 60 TRP C C 60 177.428 177.428 178.207 -0.779 18411 12191 1 15 . 1 1 60 60 TRP CA C 60 60.644 60.644 60.773 -0.129 18411 12192 1 15 . 1 1 60 60 TRP CB C 60 30.907 30.907 30.576 0.331 18411 12193 1 15 . 1 1 60 60 TRP H H 60 9.012 9.012 8.434 0.578 18411 12194 1 15 . 1 1 61 61 LEU N N 61 113.624 113.624 119.269 -5.645 18411 12195 1 15 . 1 1 61 61 LEU HA H 61 3.572 3.572 3.829 -0.257 18411 12196 1 15 . 1 1 61 61 LEU C C 61 179.473 179.473 179.158 0.315 18411 12197 1 15 . 1 1 61 61 LEU CA C 61 57.569 57.569 58.489 -0.919 18411 12198 1 15 . 1 1 61 61 LEU CB C 61 41.040 41.040 40.768 0.272 18411 12199 1 15 . 1 1 61 61 LEU H H 61 9.210 9.210 8.963 0.247 18411 12200 1 15 . 1 1 62 62 LYS N N 62 112.991 112.991 115.504 -2.513 18411 12201 1 15 . 1 1 62 62 LYS HA H 62 3.889 3.889 3.885 0.004 18411 12202 1 15 . 1 1 62 62 LYS C C 62 178.111 178.111 177.361 0.750 18411 12203 1 15 . 1 1 62 62 LYS CA C 62 56.667 56.667 58.276 -1.609 18411 12204 1 15 . 1 1 62 62 LYS CB C 62 31.651 31.651 31.680 -0.029 18411 12205 1 15 . 1 1 62 62 LYS H H 62 6.216 6.216 8.336 -2.120 18411 12206 1 15 . 1 1 63 63 HIS N N 63 114.656 114.656 114.559 0.097 18411 12207 1 15 . 1 1 63 63 HIS HA H 63 4.943 4.943 4.559 0.384 18411 12208 1 15 . 1 1 63 63 HIS C C 63 177.057 177.057 175.388 1.669 18411 12209 1 15 . 1 1 63 63 HIS CA C 63 56.133 56.133 56.401 -0.268 18411 12210 1 15 . 1 1 63 63 HIS CB C 63 33.235 33.235 32.532 0.703 18411 12211 1 15 . 1 1 63 63 HIS H H 63 7.067 7.067 7.605 -0.538 18411 12212 1 15 . 1 1 64 64 LYS N N 64 119.155 119.155 117.847 1.308 18411 12213 1 15 . 1 1 64 64 LYS HA H 64 3.513 3.513 2.315 1.198 18411 12214 1 15 . 1 1 64 64 LYS C C 64 177.074 177.074 176.976 0.098 18411 12215 1 15 . 1 1 64 64 LYS CA C 64 59.166 59.166 58.702 0.464 18411 12216 1 15 . 1 1 64 64 LYS CB C 64 28.740 28.740 30.314 -1.574 18411 12217 1 15 . 1 1 64 64 LYS H H 64 8.114 8.114 8.249 -0.135 18411 12218 1 15 . 1 1 65 65 ASP N N 65 117.882 117.882 118.212 -0.330 18411 12219 1 15 . 1 1 65 65 ASP HA H 65 4.714 4.714 4.952 -0.238 18411 12220 1 15 . 1 1 65 65 ASP C C 65 175.195 175.195 178.298 -3.103 18411 12221 1 15 . 1 1 65 65 ASP CA C 65 54.204 54.204 54.254 -0.050 18411 12222 1 15 . 1 1 65 65 ASP CB C 65 40.564 40.564 43.450 -2.886 18411 12223 1 15 . 1 1 65 65 ASP H H 65 7.963 7.963 7.987 -0.024 18411 12224 1 15 . 1 1 66 66 ASN N N 66 122.091 122.091 117.477 4.614 18411 12225 1 15 . 1 1 66 66 ASN HA H 66 4.659 4.659 4.290 0.369 18411 12226 1 15 . 1 1 66 66 ASN C C 66 176.046 176.046 174.852 1.194 18411 12227 1 15 . 1 1 66 66 ASN CA C 66 52.799 52.799 56.094 -3.295 18411 12228 1 15 . 1 1 66 66 ASN CB C 66 39.054 39.054 37.373 1.681 18411 12229 1 15 . 1 1 66 66 ASN H H 66 8.184 8.184 8.234 -0.050 18411 12230 1 15 . 1 1 67 67 ALA N N 67 128.893 128.893 118.518 10.375 18411 12231 1 15 . 1 1 67 67 ALA HA H 67 4.295 4.295 4.257 0.038 18411 12232 1 15 . 1 1 67 67 ALA C C 67 177.886 177.886 175.169 2.717 18411 12233 1 15 . 1 1 67 67 ALA CA C 67 54.049 54.049 52.842 1.207 18411 12234 1 15 . 1 1 67 67 ALA CB C 67 18.549 18.549 20.373 -1.824 18411 12235 1 15 . 1 1 67 67 ALA H H 67 8.806 8.806 8.343 0.463 18411 12236 1 15 . 1 1 68 68 ASP N N 68 116.612 116.612 118.197 -1.585 18411 12237 1 15 . 1 1 68 68 ASP HA H 68 4.823 4.823 4.823 0.000 18411 12238 1 15 . 1 1 68 68 ASP C C 68 173.310 173.310 173.779 -0.469 18411 12239 1 15 . 1 1 68 68 ASP CA C 68 54.202 54.202 54.613 -0.411 18411 12240 1 15 . 1 1 68 68 ASP CB C 68 40.892 40.892 42.870 -1.978 18411 12241 1 15 . 1 1 68 68 ASP H H 68 8.759 8.759 7.886 0.873 18411 12242 1 15 . 1 1 69 69 PHE N N 69 119.640 119.640 121.226 -1.586 18411 12243 1 15 . 1 1 69 69 PHE HA H 69 5.741 5.741 5.462 0.279 18411 12244 1 15 . 1 1 69 69 PHE C C 69 173.860 173.860 172.814 1.046 18411 12245 1 15 . 1 1 69 69 PHE CA C 69 56.192 56.192 55.733 0.459 18411 12246 1 15 . 1 1 69 69 PHE CB C 69 43.496 43.496 43.059 0.437 18411 12247 1 15 . 1 1 69 69 PHE H H 69 7.912 7.912 8.086 -0.174 18411 12248 1 15 . 1 1 70 70 ALA N N 70 130.226 130.226 128.764 1.462 18411 12249 1 15 . 1 1 70 70 ALA HA H 70 4.321 4.321 4.750 -0.429 18411 12250 1 15 . 1 1 70 70 ALA C C 70 171.945 171.945 174.421 -2.476 18411 12251 1 15 . 1 1 70 70 ALA CA C 70 51.573 51.573 50.446 1.127 18411 12252 1 15 . 1 1 70 70 ALA CB C 70 23.273 23.273 22.673 0.600 18411 12253 1 15 . 1 1 70 70 ALA H H 70 8.298 8.298 8.528 -0.230 18411 12254 1 15 . 1 1 71 71 LEU N N 71 122.090 122.090 124.632 -2.542 18411 12255 1 15 . 1 1 71 71 LEU HA H 71 5.120 5.120 5.128 -0.008 18411 12256 1 15 . 1 1 71 71 LEU C C 71 174.836 174.836 175.315 -0.479 18411 12257 1 15 . 1 1 71 71 LEU CA C 71 53.348 53.348 53.969 -0.621 18411 12258 1 15 . 1 1 71 71 LEU CB C 71 46.617 46.617 44.881 1.736 18411 12259 1 15 . 1 1 71 71 LEU H H 71 7.217 7.217 8.602 -1.385 18411 12260 1 15 . 1 1 72 72 ILE N N 72 123.189 123.189 124.988 -1.799 18411 12261 1 15 . 1 1 72 72 ILE HA H 72 4.336 4.336 4.585 -0.249 18411 12262 1 15 . 1 1 72 72 ILE C C 72 175.377 175.377 174.807 0.570 18411 12263 1 15 . 1 1 72 72 ILE CA C 72 60.236 60.236 60.035 0.201 18411 12264 1 15 . 1 1 72 72 ILE CB C 72 42.355 42.355 41.856 0.499 18411 12265 1 15 . 1 1 72 72 ILE H H 72 8.211 8.211 9.102 -0.891 18411 12266 1 15 . 1 1 73 73 GLY N N 73 114.189 114.189 114.603 -0.414 18411 12267 1 15 . 1 1 73 73 GLY C C 73 172.626 172.626 172.664 -0.038 18411 12268 1 15 . 1 1 73 73 GLY CA C 73 44.213 44.213 43.785 0.428 18411 12269 1 15 . 1 1 73 73 GLY H H 73 9.202 9.202 8.759 0.443 18411 12270 1 15 . 1 1 74 74 ILE N N 74 126.577 126.577 126.159 0.418 18411 12271 1 15 . 1 1 74 74 ILE HA H 74 3.873 3.873 4.842 -0.969 18411 12272 1 15 . 1 1 74 74 ILE C C 74 174.792 174.792 174.236 0.556 18411 12273 1 15 . 1 1 74 74 ILE CA C 74 61.660 61.660 60.094 1.566 18411 12274 1 15 . 1 1 74 74 ILE CB C 74 37.394 37.394 40.513 -3.119 18411 12275 1 15 . 1 1 74 74 ILE H H 74 9.279 9.279 9.268 0.011 18411 12276 1 15 . 1 1 75 75 ASP N N 75 129.040 129.040 127.841 1.199 18411 12277 1 15 . 1 1 75 75 ASP HA H 75 5.213 5.213 5.092 0.121 18411 12278 1 15 . 1 1 75 75 ASP C C 75 175.696 175.696 176.559 -0.863 18411 12279 1 15 . 1 1 75 75 ASP CA C 75 52.425 52.425 53.699 -1.274 18411 12280 1 15 . 1 1 75 75 ASP CB C 75 41.673 41.673 43.645 -1.972 18411 12281 1 15 . 1 1 75 75 ASP H H 75 8.592 8.592 8.914 -0.322 18411 12282 1 15 . 1 1 76 76 ARG N N 76 128.762 128.762 126.581 2.181 18411 12283 1 15 . 1 1 76 76 ARG HA H 76 4.346 4.346 4.198 0.148 18411 12284 1 15 . 1 1 76 76 ARG C C 76 174.562 174.562 175.397 -0.835 18411 12285 1 15 . 1 1 76 76 ARG CA C 76 58.885 58.885 57.527 1.358 18411 12286 1 15 . 1 1 76 76 ARG CB C 76 32.732 32.732 31.074 1.658 18411 12287 1 15 . 1 1 76 76 ARG H H 76 8.842 8.842 8.801 0.041 18411 12288 1 15 . 1 1 77 77 ASP N N 77 128.451 128.451 113.580 14.871 18411 12289 1 15 . 1 1 77 77 ASP HA H 77 4.473 4.473 4.772 -0.299 18411 12290 1 15 . 1 1 77 77 ASP C C 77 173.969 173.969 176.267 -2.298 18411 12291 1 15 . 1 1 77 77 ASP CA C 77 56.139 56.139 54.164 1.975 18411 12292 1 15 . 1 1 77 77 ASP CB C 77 42.541 42.541 43.221 -0.680 18411 12293 1 15 . 1 1 77 77 ASP H H 77 8.256 8.256 8.565 -0.309 18411 12294 1 15 . 1 1 78 78 GLU N N 78 114.796 114.796 121.679 -6.883 18411 12295 1 15 . 1 1 78 78 GLU HA H 78 5.060 5.060 4.742 0.318 18411 12296 1 15 . 1 1 78 78 GLU C C 78 174.225 174.225 174.815 -0.590 18411 12297 1 15 . 1 1 78 78 GLU CA C 78 54.220 54.220 54.437 -0.217 18411 12298 1 15 . 1 1 78 78 GLU CB C 78 32.842 32.842 30.362 2.480 18411 12299 1 15 . 1 1 78 78 GLU H H 78 8.010 8.010 8.899 -0.889 18411 12300 1 15 . 1 1 79 79 PRO HA H 79 4.579 4.579 4.530 0.049 18411 12301 1 15 . 1 1 79 79 PRO C C 79 177.508 177.508 177.376 0.132 18411 12302 1 15 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.214 -0.147 18411 12303 1 15 . 1 1 79 79 PRO CB C 79 33.096 33.096 32.795 0.301 18411 12304 1 15 . 1 1 80 80 LEU N N 80 122.209 122.209 121.448 0.761 18411 12305 1 15 . 1 1 80 80 LEU HA H 80 3.927 3.927 4.044 -0.117 18411 12306 1 15 . 1 1 80 80 LEU C C 80 177.847 177.847 178.408 -0.561 18411 12307 1 15 . 1 1 80 80 LEU CA C 80 59.188 59.188 59.178 0.009 18411 12308 1 15 . 1 1 80 80 LEU CB C 80 42.001 42.001 40.943 1.058 18411 12309 1 15 . 1 1 80 80 LEU H H 80 8.943 8.943 8.477 0.466 18411 12310 1 15 . 1 1 81 81 GLU N N 81 115.361 115.361 117.082 -1.721 18411 12311 1 15 . 1 1 81 81 GLU HA H 81 3.999 3.999 4.092 -0.093 18411 12312 1 15 . 1 1 81 81 GLU C C 81 180.044 180.044 178.738 1.306 18411 12313 1 15 . 1 1 81 81 GLU CA C 81 60.552 60.552 59.375 1.177 18411 12314 1 15 . 1 1 81 81 GLU CB C 81 28.723 28.723 28.269 0.454 18411 12315 1 15 . 1 1 81 81 GLU H H 81 9.534 9.534 9.022 0.512 18411 12316 1 15 . 1 1 82 82 LYS N N 82 118.582 118.582 120.087 -1.505 18411 12317 1 15 . 1 1 82 82 LYS HA H 82 4.183 4.183 4.067 0.116 18411 12318 1 15 . 1 1 82 82 LYS C C 82 179.226 179.226 178.704 0.522 18411 12319 1 15 . 1 1 82 82 LYS CA C 82 58.248 58.248 58.490 -0.242 18411 12320 1 15 . 1 1 82 82 LYS CB C 82 32.912 32.912 31.407 1.504 18411 12321 1 15 . 1 1 82 82 LYS H H 82 7.332 7.332 8.063 -0.731 18411 12322 1 15 . 1 1 83 83 VAL N N 83 122.971 122.971 120.615 2.356 18411 12323 1 15 . 1 1 83 83 VAL HA H 83 3.554 3.554 3.707 -0.153 18411 12324 1 15 . 1 1 83 83 VAL C C 83 178.331 178.331 178.628 -0.297 18411 12325 1 15 . 1 1 83 83 VAL CA C 83 67.063 67.063 66.198 0.865 18411 12326 1 15 . 1 1 83 83 VAL CB C 83 31.497 31.497 31.580 -0.083 18411 12327 1 15 . 1 1 83 83 VAL H H 83 7.743 7.743 7.812 -0.069 18411 12328 1 15 . 1 1 84 84 LEU N N 84 119.209 119.209 119.987 -0.778 18411 12329 1 15 . 1 1 84 84 LEU HA H 84 4.030 4.030 4.035 -0.004 18411 12330 1 15 . 1 1 84 84 LEU C C 84 180.647 180.647 179.068 1.579 18411 12331 1 15 . 1 1 84 84 LEU CA C 84 57.975 57.975 57.703 0.272 18411 12332 1 15 . 1 1 84 84 LEU CB C 84 42.010 42.010 40.478 1.532 18411 12333 1 15 . 1 1 84 84 LEU H H 84 8.706 8.706 7.853 0.853 18411 12334 1 15 . 1 1 85 85 ALA N N 85 120.801 120.801 122.047 -1.246 18411 12335 1 15 . 1 1 85 85 ALA HA H 85 4.198 4.198 4.078 0.120 18411 12336 1 15 . 1 1 85 85 ALA C C 85 180.253 180.253 179.162 1.091 18411 12337 1 15 . 1 1 85 85 ALA CA C 85 54.947 54.947 54.922 0.025 18411 12338 1 15 . 1 1 85 85 ALA CB C 85 17.973 17.973 18.435 -0.462 18411 12339 1 15 . 1 1 85 85 ALA H H 85 7.440 7.440 8.085 -0.645 18411 12340 1 15 . 1 1 86 86 PHE N N 86 123.035 123.035 119.970 3.065 18411 12341 1 15 . 1 1 86 86 PHE HA H 86 4.905 4.905 4.075 0.830 18411 12342 1 15 . 1 1 86 86 PHE C C 86 179.015 179.015 176.799 2.216 18411 12343 1 15 . 1 1 86 86 PHE CA C 86 56.648 56.648 61.150 -4.502 18411 12344 1 15 . 1 1 86 86 PHE CB C 86 39.249 39.249 39.335 -0.086 18411 12345 1 15 . 1 1 86 86 PHE H H 86 8.040 8.040 8.441 -0.401 18411 12346 1 15 . 1 1 87 87 ALA N N 87 123.932 123.932 121.961 1.971 18411 12347 1 15 . 1 1 87 87 ALA HA H 87 3.480 3.480 3.739 -0.259 18411 12348 1 15 . 1 1 87 87 ALA C C 87 179.800 179.800 179.024 0.776 18411 12349 1 15 . 1 1 87 87 ALA CA C 87 55.183 55.183 54.946 0.237 18411 12350 1 15 . 1 1 87 87 ALA CB C 87 17.602 17.602 18.592 -0.990 18411 12351 1 15 . 1 1 87 87 ALA H H 87 8.453 8.453 8.195 0.258 18411 12352 1 15 . 1 1 88 88 LYS N N 88 116.535 116.535 116.209 0.326 18411 12353 1 15 . 1 1 88 88 LYS HA H 88 4.030 4.030 3.986 0.044 18411 12354 1 15 . 1 1 88 88 LYS C C 88 179.562 179.562 178.212 1.350 18411 12355 1 15 . 1 1 88 88 LYS CA C 88 59.063 59.063 58.541 0.522 18411 12356 1 15 . 1 1 88 88 LYS CB C 88 32.466 32.466 31.966 0.500 18411 12357 1 15 . 1 1 88 88 LYS H H 88 7.664 7.664 7.805 -0.141 18411 12358 1 15 . 1 1 89 89 SER N N 89 113.619 113.619 114.509 -0.890 18411 12359 1 15 . 1 1 89 89 SER HA H 89 4.271 4.271 4.398 -0.127 18411 12360 1 15 . 1 1 89 89 SER C C 89 177.004 177.004 175.391 1.613 18411 12361 1 15 . 1 1 89 89 SER CA C 89 61.139 61.139 60.459 0.680 18411 12362 1 15 . 1 1 89 89 SER CB C 89 63.327 63.327 63.424 -0.097 18411 12363 1 15 . 1 1 89 89 SER H H 89 8.417 8.417 7.650 0.767 18411 12364 1 15 . 1 1 90 90 THR N N 90 109.601 109.601 111.419 -1.818 18411 12365 1 15 . 1 1 90 90 THR HA H 90 4.287 4.287 4.469 -0.182 18411 12366 1 15 . 1 1 90 90 THR C C 90 176.074 176.074 175.877 0.197 18411 12367 1 15 . 1 1 90 90 THR CA C 90 62.926 62.926 61.556 1.370 18411 12368 1 15 . 1 1 90 90 THR CB C 90 70.563 70.563 70.837 -0.274 18411 12369 1 15 . 1 1 90 90 THR H H 90 7.710 7.710 7.557 0.153 18411 12370 1 15 . 1 1 91 91 GLY N N 91 110.243 110.243 111.000 -0.757 18411 12371 1 15 . 1 1 91 91 GLY C C 91 174.815 174.815 173.284 1.531 18411 12372 1 15 . 1 1 91 91 GLY CA C 91 46.042 46.042 44.747 1.295 18411 12373 1 15 . 1 1 91 91 GLY H H 91 7.609 7.609 8.029 -0.420 18411 12374 1 15 . 1 1 92 92 VAL N N 92 112.099 112.099 121.281 -9.182 18411 12375 1 15 . 1 1 92 92 VAL HA H 92 4.309 4.309 3.666 0.643 18411 12376 1 15 . 1 1 92 92 VAL C C 92 178.372 178.372 175.060 3.312 18411 12377 1 15 . 1 1 92 92 VAL CA C 92 60.696 60.696 62.753 -2.057 18411 12378 1 15 . 1 1 92 92 VAL CB C 92 32.337 32.337 30.652 1.685 18411 12379 1 15 . 1 1 92 92 VAL H H 92 7.046 7.046 8.492 -1.446 18411 12380 1 15 . 1 1 93 93 THR N N 93 114.289 114.289 116.901 -2.612 18411 12381 1 15 . 1 1 93 93 THR HA H 93 4.457 4.457 4.118 0.339 18411 12382 1 15 . 1 1 93 93 THR C C 93 175.115 175.115 173.738 1.377 18411 12383 1 15 . 1 1 93 93 THR CA C 93 61.280 61.280 64.428 -3.148 18411 12384 1 15 . 1 1 93 93 THR CB C 93 70.314 70.314 69.280 1.034 18411 12385 1 15 . 1 1 93 93 THR H H 93 10.844 10.844 8.830 2.014 18411 12386 1 15 . 1 1 94 94 TYR N N 94 122.050 122.050 120.706 1.344 18411 12387 1 15 . 1 1 94 94 TYR HA H 94 3.740 3.740 3.541 0.199 18411 12388 1 15 . 1 1 94 94 TYR C C 94 171.563 171.563 173.066 -1.503 18411 12389 1 15 . 1 1 94 94 TYR CA C 94 53.080 53.080 52.504 0.576 18411 12390 1 15 . 1 1 94 94 TYR CB C 94 34.195 34.195 36.498 -2.303 18411 12391 1 15 . 1 1 94 94 TYR H H 94 6.391 6.391 7.210 -0.819 18411 12392 1 15 . 1 1 95 95 PRO HA H 95 4.105 4.105 4.216 -0.111 18411 12393 1 15 . 1 1 95 95 PRO C C 95 175.152 175.152 175.498 -0.346 18411 12394 1 15 . 1 1 95 95 PRO CA C 95 63.799 63.799 62.750 1.049 18411 12395 1 15 . 1 1 95 95 PRO CB C 95 32.919 32.919 32.325 0.594 18411 12396 1 15 . 1 1 96 96 LEU N N 96 122.325 122.325 122.464 -0.139 18411 12397 1 15 . 1 1 96 96 LEU HA H 96 5.143 5.143 5.242 -0.099 18411 12398 1 15 . 1 1 96 96 LEU C C 96 176.072 176.072 176.616 -0.544 18411 12399 1 15 . 1 1 96 96 LEU CA C 96 52.794 52.794 53.404 -0.610 18411 12400 1 15 . 1 1 96 96 LEU CB C 96 45.567 45.567 45.023 0.544 18411 12401 1 15 . 1 1 96 96 LEU H H 96 8.256 8.256 8.360 -0.104 18411 12402 1 15 . 1 1 97 97 GLY N N 97 107.295 107.295 107.558 -0.263 18411 12403 1 15 . 1 1 97 97 GLY C C 97 171.546 171.546 172.190 -0.644 18411 12404 1 15 . 1 1 97 97 GLY CA C 97 44.069 44.069 43.607 0.462 18411 12405 1 15 . 1 1 97 97 GLY H H 97 9.177 9.177 9.148 0.029 18411 12406 1 15 . 1 1 98 98 LEU N N 98 118.550 118.550 117.185 1.365 18411 12407 1 15 . 1 1 98 98 LEU HA H 98 4.872 4.872 4.904 -0.032 18411 12408 1 15 . 1 1 98 98 LEU C C 98 176.132 176.132 174.790 1.342 18411 12409 1 15 . 1 1 98 98 LEU CA C 98 54.460 54.460 53.594 0.866 18411 12410 1 15 . 1 1 98 98 LEU CB C 98 43.567 43.567 43.689 -0.122 18411 12411 1 15 . 1 1 98 98 LEU H H 98 8.106 8.106 8.346 -0.240 18411 12412 1 15 . 1 1 99 99 ASP N N 99 118.061 118.061 122.333 -4.272 18411 12413 1 15 . 1 1 99 99 ASP HA H 99 5.403 5.403 5.179 0.224 18411 12414 1 15 . 1 1 99 99 ASP C C 99 175.069 175.069 174.219 0.850 18411 12415 1 15 . 1 1 99 99 ASP CA C 99 51.057 51.057 50.644 0.413 18411 12416 1 15 . 1 1 99 99 ASP CB C 99 42.069 42.069 42.405 -0.336 18411 12417 1 15 . 1 1 99 99 ASP H H 99 8.481 8.481 9.007 -0.526 18411 12418 1 15 . 1 1 100 100 PRO HA H 100 4.564 4.564 4.429 0.135 18411 12419 1 15 . 1 1 100 100 PRO C C 100 179.600 179.600 176.878 2.722 18411 12420 1 15 . 1 1 100 100 PRO CA C 100 64.020 64.020 63.473 0.547 18411 12421 1 15 . 1 1 100 100 PRO CB C 100 31.455 31.455 31.128 0.327 18411 12422 1 15 . 1 1 101 101 GLY N N 101 114.780 114.780 111.085 3.695 18411 12423 1 15 . 1 1 101 101 GLY C C 101 173.600 173.600 174.161 -0.561 18411 12424 1 15 . 1 1 101 101 GLY CA C 101 46.175 46.175 44.958 1.217 18411 12425 1 15 . 1 1 101 101 GLY H H 101 9.045 9.045 8.021 1.024 18411 12426 1 15 . 1 1 102 102 ALA N N 102 117.089 117.089 121.344 -4.255 18411 12427 1 15 . 1 1 102 102 ALA HA H 102 4.376 4.376 4.128 0.248 18411 12428 1 15 . 1 1 102 102 ALA C C 102 175.955 175.955 176.896 -0.941 18411 12429 1 15 . 1 1 102 102 ALA CA C 102 52.693 52.693 52.815 -0.122 18411 12430 1 15 . 1 1 102 102 ALA CB C 102 18.256 18.256 17.377 0.879 18411 12431 1 15 . 1 1 102 102 ALA H H 102 8.257 8.257 8.065 0.192 18411 12432 1 15 . 1 1 103 103 ASP N N 103 118.691 118.691 118.830 -0.139 18411 12433 1 15 . 1 1 103 103 ASP HA H 103 4.444 4.444 4.529 -0.085 18411 12434 1 15 . 1 1 103 103 ASP C C 103 179.021 179.021 177.765 1.256 18411 12435 1 15 . 1 1 103 103 ASP CA C 103 57.935 57.935 57.089 0.847 18411 12436 1 15 . 1 1 103 103 ASP CB C 103 41.368 41.368 41.614 -0.246 18411 12437 1 15 . 1 1 103 103 ASP H H 103 6.739 6.739 8.371 -1.632 18411 12438 1 15 . 1 1 104 104 ILE N N 104 126.075 126.075 119.791 6.284 18411 12439 1 15 . 1 1 104 104 ILE HA H 104 3.682 3.682 3.771 -0.089 18411 12440 1 15 . 1 1 104 104 ILE C C 104 179.321 179.321 177.683 1.638 18411 12441 1 15 . 1 1 104 104 ILE CA C 104 66.522 66.522 62.928 3.594 18411 12442 1 15 . 1 1 104 104 ILE CB C 104 36.754 36.754 37.199 -0.445 18411 12443 1 15 . 1 1 104 104 ILE H H 104 11.476 11.476 8.492 2.984 18411 12444 1 15 . 1 1 105 105 PHE N N 105 124.513 124.513 119.638 4.875 18411 12445 1 15 . 1 1 105 105 PHE HA H 105 3.646 3.646 3.864 -0.218 18411 12446 1 15 . 1 1 105 105 PHE C C 105 177.818 177.818 176.396 1.422 18411 12447 1 15 . 1 1 105 105 PHE CA C 105 62.948 62.948 61.160 1.788 18411 12448 1 15 . 1 1 105 105 PHE CB C 105 38.350 38.350 39.511 -1.161 18411 12449 1 15 . 1 1 105 105 PHE H H 105 9.473 9.473 8.960 0.513 18411 12450 1 15 . 1 1 106 106 ALA N N 106 115.835 115.835 119.970 -4.135 18411 12451 1 15 . 1 1 106 106 ALA HA H 106 4.927 4.927 4.666 0.261 18411 12452 1 15 . 1 1 106 106 ALA C C 106 179.271 179.271 178.163 1.108 18411 12453 1 15 . 1 1 106 106 ALA CA C 106 52.672 52.672 53.536 -0.864 18411 12454 1 15 . 1 1 106 106 ALA CB C 106 19.093 19.093 18.614 0.479 18411 12455 1 15 . 1 1 106 106 ALA H H 106 8.418 8.418 7.483 0.935 18411 12456 1 15 . 1 1 107 107 LYS N N 107 116.823 116.823 116.003 0.820 18411 12457 1 15 . 1 1 107 107 LYS HA H 107 4.145 4.145 3.947 0.198 18411 12458 1 15 . 1 1 107 107 LYS C C 107 176.006 176.006 176.658 -0.652 18411 12459 1 15 . 1 1 107 107 LYS CA C 107 57.980 57.980 58.018 -0.038 18411 12460 1 15 . 1 1 107 107 LYS CB C 107 33.041 33.041 32.274 0.767 18411 12461 1 15 . 1 1 107 107 LYS H H 107 8.106 8.106 7.556 0.550 18411 12462 1 15 . 1 1 108 108 TYR N N 108 114.793 114.793 114.537 0.256 18411 12463 1 15 . 1 1 108 108 TYR HA H 108 4.311 4.311 4.402 -0.091 18411 12464 1 15 . 1 1 108 108 TYR C C 108 176.010 176.010 173.704 2.306 18411 12465 1 15 . 1 1 108 108 TYR CA C 108 59.270 59.270 58.608 0.662 18411 12466 1 15 . 1 1 108 108 TYR CB C 108 40.965 40.965 41.422 -0.457 18411 12467 1 15 . 1 1 108 108 TYR H H 108 7.811 7.811 7.242 0.569 18411 12468 1 15 . 1 1 109 109 ALA N N 109 125.709 125.709 118.144 7.565 18411 12469 1 15 . 1 1 109 109 ALA HA H 109 4.760 4.760 4.730 0.030 18411 12470 1 15 . 1 1 109 109 ALA C C 109 174.711 174.711 174.896 -0.185 18411 12471 1 15 . 1 1 109 109 ALA CA C 109 50.276 50.276 50.198 0.078 18411 12472 1 15 . 1 1 109 109 ALA CB C 109 21.924 21.924 21.303 0.621 18411 12473 1 15 . 1 1 109 109 ALA H H 109 8.595 8.595 7.625 0.970 18411 12474 1 15 . 1 1 110 110 LEU N N 110 117.834 117.834 119.960 -2.126 18411 12475 1 15 . 1 1 110 110 LEU HA H 110 4.137 4.137 4.156 -0.019 18411 12476 1 15 . 1 1 110 110 LEU C C 110 179.153 179.153 178.592 0.561 18411 12477 1 15 . 1 1 110 110 LEU CA C 110 55.164 55.164 55.611 -0.447 18411 12478 1 15 . 1 1 110 110 LEU CB C 110 42.292 42.292 42.378 -0.086 18411 12479 1 15 . 1 1 110 110 LEU H H 110 7.814 7.814 8.621 -0.807 18411 12480 1 15 . 1 1 111 111 ARG N N 111 119.787 119.787 121.061 -1.274 18411 12481 1 15 . 1 1 111 111 ARG HA H 111 3.916 3.916 4.324 -0.408 18411 12482 1 15 . 1 1 111 111 ARG C C 111 176.962 176.962 176.927 0.035 18411 12483 1 15 . 1 1 111 111 ARG CA C 111 60.538 60.538 59.004 1.534 18411 12484 1 15 . 1 1 111 111 ARG CB C 111 30.424 30.424 30.124 0.300 18411 12485 1 15 . 1 1 111 111 ARG H H 111 8.655 8.655 9.007 -0.352 18411 12486 1 15 . 1 1 112 112 ASP N N 112 113.338 113.338 115.985 -2.647 18411 12487 1 15 . 1 1 112 112 ASP HA H 112 4.662 4.662 4.652 0.010 18411 12488 1 15 . 1 1 112 112 ASP C C 112 176.387 176.387 175.881 0.506 18411 12489 1 15 . 1 1 112 112 ASP CA C 112 52.833 52.833 54.056 -1.223 18411 12490 1 15 . 1 1 112 112 ASP CB C 112 40.135 40.135 40.377 -0.242 18411 12491 1 15 . 1 1 112 112 ASP H H 112 8.205 8.205 8.505 -0.300 18411 12492 1 15 . 1 1 113 113 ALA N N 113 122.885 122.885 123.361 -0.476 18411 12493 1 15 . 1 1 113 113 ALA HA H 113 4.347 4.347 4.354 -0.007 18411 12494 1 15 . 1 1 113 113 ALA C C 113 177.740 177.740 177.363 0.377 18411 12495 1 15 . 1 1 113 113 ALA CA C 113 51.983 51.983 51.917 0.066 18411 12496 1 15 . 1 1 113 113 ALA CB C 113 20.558 20.558 17.348 3.210 18411 12497 1 15 . 1 1 113 113 ALA H H 113 7.919 7.919 7.627 0.292 18411 12498 1 15 . 1 1 114 114 GLY CA C 114 45.480 45.480 45.963 -0.483 18411 12499 1 15 . 1 1 115 115 ILE N N 115 122.165 122.165 119.170 2.995 18411 12500 1 15 . 1 1 115 115 ILE HA H 115 4.119 4.119 4.107 0.012 18411 12501 1 15 . 1 1 115 115 ILE CA C 115 60.788 60.788 62.405 -1.617 18411 12502 1 15 . 1 1 115 115 ILE CB C 115 39.651 39.651 39.590 0.061 18411 12503 1 15 . 1 1 115 115 ILE H H 115 8.253 8.253 8.280 -0.027 18411 12504 1 15 . 1 1 116 116 THR N N 116 110.198 110.198 120.349 -10.151 18411 12505 1 15 . 1 1 116 116 THR HA H 116 4.101 4.101 5.022 -0.921 18411 12506 1 15 . 1 1 116 116 THR CA C 116 62.947 62.947 62.736 0.211 18411 12507 1 15 . 1 1 116 116 THR CB C 116 69.031 69.031 68.640 0.391 18411 12508 1 15 . 1 1 116 116 THR H H 116 7.033 7.033 7.946 -0.913 18411 12509 1 15 . 1 1 117 117 ARG N N 117 130.624 130.624 126.954 3.670 18411 12510 1 15 . 1 1 117 117 ARG HA H 117 4.997 4.997 4.999 -0.002 18411 12511 1 15 . 1 1 117 117 ARG C C 117 173.296 173.296 174.274 -0.978 18411 12512 1 15 . 1 1 117 117 ARG CA C 117 56.468 56.468 55.175 1.294 18411 12513 1 15 . 1 1 117 117 ARG CB C 117 31.949 31.949 34.984 -3.035 18411 12514 1 15 . 1 1 117 117 ARG H H 117 8.250 8.250 9.261 -1.011 18411 12515 1 15 . 1 1 118 118 ASN N N 118 118.226 118.226 123.075 -4.849 18411 12516 1 15 . 1 1 118 118 ASN HA H 118 6.127 6.127 5.356 0.771 18411 12517 1 15 . 1 1 118 118 ASN C C 118 173.805 173.805 174.056 -0.251 18411 12518 1 15 . 1 1 118 118 ASN CA C 118 51.759 51.759 53.189 -1.430 18411 12519 1 15 . 1 1 118 118 ASN CB C 118 41.892 41.892 40.334 1.558 18411 12520 1 15 . 1 1 118 118 ASN H H 118 7.730 7.730 8.692 -0.962 18411 12521 1 15 . 1 1 119 119 VAL N N 119 120.477 120.477 123.579 -3.102 18411 12522 1 15 . 1 1 119 119 VAL HA H 119 4.766 4.766 4.966 -0.200 18411 12523 1 15 . 1 1 119 119 VAL C C 119 173.809 173.809 174.139 -0.330 18411 12524 1 15 . 1 1 119 119 VAL CA C 119 60.808 60.808 60.644 0.164 18411 12525 1 15 . 1 1 119 119 VAL CB C 119 35.887 35.887 33.461 2.426 18411 12526 1 15 . 1 1 119 119 VAL H H 119 9.269 9.269 9.265 0.004 18411 12527 1 15 . 1 1 120 120 LEU N N 120 128.017 128.017 130.459 -2.442 18411 12528 1 15 . 1 1 120 120 LEU HA H 120 5.350 5.350 5.025 0.325 18411 12529 1 15 . 1 1 120 120 LEU C C 120 174.606 174.606 174.650 -0.044 18411 12530 1 15 . 1 1 120 120 LEU CA C 120 53.563 53.563 53.499 0.064 18411 12531 1 15 . 1 1 120 120 LEU CB C 120 46.211 46.211 44.840 1.371 18411 12532 1 15 . 1 1 120 120 LEU H H 120 8.829 8.829 8.407 0.422 18411 12533 1 15 . 1 1 121 121 ILE N N 121 131.629 131.629 128.137 3.492 18411 12534 1 15 . 1 1 121 121 ILE HA H 121 4.799 4.799 5.150 -0.351 18411 12535 1 15 . 1 1 121 121 ILE C C 121 174.731 174.731 175.602 -0.871 18411 12536 1 15 . 1 1 121 121 ILE CA C 121 60.450 60.450 59.435 1.015 18411 12537 1 15 . 1 1 121 121 ILE CB C 121 41.651 41.651 40.347 1.304 18411 12538 1 15 . 1 1 121 121 ILE H H 121 9.659 9.659 9.247 0.412 18411 12539 1 15 . 1 1 122 122 ASP N N 122 124.197 124.197 127.144 -2.947 18411 12540 1 15 . 1 1 122 122 ASP HA H 122 4.513 4.513 4.887 -0.374 18411 12541 1 15 . 1 1 122 122 ASP C C 122 177.586 177.586 177.512 0.074 18411 12542 1 15 . 1 1 122 122 ASP CA C 122 52.442 52.442 52.399 0.043 18411 12543 1 15 . 1 1 122 122 ASP CB C 122 41.476 41.476 42.779 -1.303 18411 12544 1 15 . 1 1 122 122 ASP H H 122 9.128 9.128 8.916 0.212 18411 12545 1 15 . 1 1 123 123 ARG N N 123 113.396 113.396 119.259 -5.863 18411 12546 1 15 . 1 1 123 123 ARG HA H 123 4.186 4.186 4.248 -0.062 18411 12547 1 15 . 1 1 123 123 ARG C C 123 178.717 178.717 177.594 1.123 18411 12548 1 15 . 1 1 123 123 ARG CA C 123 58.243 58.243 59.182 -0.939 18411 12549 1 15 . 1 1 123 123 ARG CB C 123 30.783 30.783 30.468 0.315 18411 12550 1 15 . 1 1 123 123 ARG H H 123 7.870 7.870 8.721 -0.851 18411 12551 1 15 . 1 1 124 124 GLU N N 124 117.427 117.427 117.955 -0.528 18411 12552 1 15 . 1 1 124 124 GLU HA H 124 4.310 4.310 4.223 0.087 18411 12553 1 15 . 1 1 124 124 GLU C C 124 176.034 176.034 176.963 -0.929 18411 12554 1 15 . 1 1 124 124 GLU CA C 124 56.164 56.164 57.087 -0.923 18411 12555 1 15 . 1 1 124 124 GLU CB C 124 30.541 30.541 30.096 0.445 18411 12556 1 15 . 1 1 124 124 GLU H H 124 8.155 8.155 8.803 -0.648 18411 12557 1 15 . 1 1 125 125 GLY N N 125 105.681 105.681 107.091 -1.410 18411 12558 1 15 . 1 1 125 125 GLY C C 125 174.204 174.204 173.701 0.503 18411 12559 1 15 . 1 1 125 125 GLY CA C 125 45.160 45.160 44.974 0.186 18411 12560 1 15 . 1 1 125 125 GLY H H 125 8.094 8.094 7.829 0.265 18411 12561 1 15 . 1 1 126 126 LYS N N 126 122.326 122.326 120.179 2.147 18411 12562 1 15 . 1 1 126 126 LYS HA H 126 4.647 4.647 5.131 -0.484 18411 12563 1 15 . 1 1 126 126 LYS C C 126 176.390 176.390 175.727 0.663 18411 12564 1 15 . 1 1 126 126 LYS CA C 126 55.393 55.393 54.612 0.781 18411 12565 1 15 . 1 1 126 126 LYS CB C 126 33.569 33.569 35.155 -1.586 18411 12566 1 15 . 1 1 126 126 LYS H H 126 8.502 8.502 8.758 -0.256 18411 12567 1 15 . 1 1 127 127 ILE N N 127 121.946 121.946 123.241 -1.295 18411 12568 1 15 . 1 1 127 127 ILE HA H 127 4.048 4.048 4.638 -0.590 18411 12569 1 15 . 1 1 127 127 ILE C C 127 177.735 177.735 176.496 1.239 18411 12570 1 15 . 1 1 127 127 ILE CA C 127 63.200 63.200 61.854 1.346 18411 12571 1 15 . 1 1 127 127 ILE CB C 127 38.106 38.106 37.772 0.334 18411 12572 1 15 . 1 1 127 127 ILE H H 127 8.739 8.739 9.198 -0.459 18411 12573 1 15 . 1 1 128 128 VAL N N 128 122.026 122.026 124.589 -2.563 18411 12574 1 15 . 1 1 128 128 VAL HA H 128 4.695 4.695 4.359 0.336 18411 12575 1 15 . 1 1 128 128 VAL C C 128 175.968 175.968 175.453 0.515 18411 12576 1 15 . 1 1 128 128 VAL CA C 128 61.535 61.535 62.322 -0.786 18411 12577 1 15 . 1 1 128 128 VAL CB C 128 33.996 33.996 32.539 1.457 18411 12578 1 15 . 1 1 128 128 VAL H H 128 9.397 9.397 8.915 0.482 18411 12579 1 15 . 1 1 129 129 LYS N N 129 121.635 121.635 121.348 0.287 18411 12580 1 15 . 1 1 129 129 LYS HA H 129 4.359 4.359 4.560 -0.201 18411 12581 1 15 . 1 1 129 129 LYS C C 129 172.896 172.896 174.385 -1.489 18411 12582 1 15 . 1 1 129 129 LYS CA C 129 57.322 57.322 54.858 2.465 18411 12583 1 15 . 1 1 129 129 LYS CB C 129 36.802 36.802 33.227 3.575 18411 12584 1 15 . 1 1 129 129 LYS H H 129 7.708 7.708 7.396 0.312 18411 12585 1 15 . 1 1 130 130 LEU N N 130 126.219 126.219 129.016 -2.797 18411 12586 1 15 . 1 1 130 130 LEU HA H 130 5.140 5.140 4.811 0.329 18411 12587 1 15 . 1 1 130 130 LEU C C 130 176.956 176.956 176.283 0.673 18411 12588 1 15 . 1 1 130 130 LEU CA C 130 53.572 53.572 54.335 -0.763 18411 12589 1 15 . 1 1 130 130 LEU CB C 130 44.700 44.700 42.305 2.395 18411 12590 1 15 . 1 1 130 130 LEU H H 130 8.301 8.301 8.876 -0.575 18411 12591 1 15 . 1 1 131 131 THR N N 131 113.484 113.484 118.468 -4.984 18411 12592 1 15 . 1 1 131 131 THR HA H 131 5.136 5.136 4.738 0.398 18411 12593 1 15 . 1 1 131 131 THR C C 131 175.492 175.492 173.157 2.335 18411 12594 1 15 . 1 1 131 131 THR CA C 131 61.033 61.033 59.816 1.217 18411 12595 1 15 . 1 1 131 131 THR CB C 131 70.922 70.922 71.442 -0.520 18411 12596 1 15 . 1 1 131 131 THR H H 131 9.298 9.298 8.530 0.768 18411 12597 1 15 . 1 1 132 132 ARG HA H 132 5.150 5.150 4.836 0.314 18411 12598 1 15 . 1 1 132 132 ARG CA C 132 55.585 55.585 54.460 1.125 18411 12599 1 15 . 1 1 132 132 ARG CB C 132 33.035 33.035 30.074 2.961 18411 12600 1 15 . 1 1 133 133 LEU N N 133 118.967 118.967 119.731 -0.764 18411 12601 1 15 . 1 1 133 133 LEU HA H 133 4.302 4.302 4.048 0.254 18411 12602 1 15 . 1 1 133 133 LEU CA C 133 56.200 56.200 55.811 0.389 18411 12603 1 15 . 1 1 133 133 LEU CB C 133 41.616 41.616 40.880 0.737 18411 12604 1 15 . 1 1 133 133 LEU H H 133 8.167 8.167 8.420 -0.253 18411 12605 1 15 . 1 1 134 134 TYR N N 134 124.816 124.816 123.572 1.244 18411 12606 1 15 . 1 1 134 134 TYR HA H 134 4.963 4.963 4.281 0.682 18411 12607 1 15 . 1 1 134 134 TYR CA C 134 57.154 57.154 58.404 -1.250 18411 12608 1 15 . 1 1 134 134 TYR CB C 134 38.948 38.948 37.258 1.690 18411 12609 1 15 . 1 1 134 134 TYR H H 134 7.805 7.805 8.200 -0.395 18411 12610 1 15 . 1 1 135 135 ASN HA H 135 4.415 4.415 4.587 -0.172 18411 12611 1 15 . 1 1 135 135 ASN CA C 135 51.995 51.995 52.113 -0.118 18411 12612 1 15 . 1 1 135 135 ASN CB C 135 40.521 40.521 39.847 0.674 18411 12613 1 15 . 1 1 136 136 GLU HA H 136 3.694 3.694 3.537 0.157 18411 12614 1 15 . 1 1 136 136 GLU C C 136 178.797 178.797 177.947 0.850 18411 12615 1 15 . 1 1 136 136 GLU CA C 136 61.052 61.052 60.075 0.977 18411 12616 1 15 . 1 1 136 136 GLU CB C 136 29.353 29.353 29.353 0.000 18411 12617 1 15 . 1 1 137 137 GLU N N 137 120.717 120.717 119.560 1.157 18411 12618 1 15 . 1 1 137 137 GLU HA H 137 4.176 4.176 3.972 0.204 18411 12619 1 15 . 1 1 137 137 GLU C C 137 179.707 179.707 178.945 0.762 18411 12620 1 15 . 1 1 137 137 GLU CA C 137 59.800 59.800 59.826 -0.026 18411 12621 1 15 . 1 1 137 137 GLU CB C 137 29.284 29.284 28.676 0.608 18411 12622 1 15 . 1 1 137 137 GLU H H 137 8.364 8.364 8.129 0.235 18411 12623 1 15 . 1 1 138 138 GLU N N 138 122.448 122.448 119.258 3.190 18411 12624 1 15 . 1 1 138 138 GLU HA H 138 4.190 4.190 4.171 0.019 18411 12625 1 15 . 1 1 138 138 GLU C C 138 179.927 179.927 179.415 0.512 18411 12626 1 15 . 1 1 138 138 GLU CA C 138 59.129 59.129 58.800 0.329 18411 12627 1 15 . 1 1 138 138 GLU CB C 138 30.064 30.064 29.334 0.730 18411 12628 1 15 . 1 1 138 138 GLU H H 138 8.448 8.448 8.491 -0.043 18411 12629 1 15 . 1 1 139 139 PHE N N 139 122.454 122.454 121.322 1.132 18411 12630 1 15 . 1 1 139 139 PHE HA H 139 4.171 4.171 4.225 -0.054 18411 12631 1 15 . 1 1 139 139 PHE C C 139 177.370 177.370 176.444 0.926 18411 12632 1 15 . 1 1 139 139 PHE CA C 139 62.690 62.690 61.229 1.461 18411 12633 1 15 . 1 1 139 139 PHE CB C 139 39.579 39.579 39.136 0.443 18411 12634 1 15 . 1 1 139 139 PHE H H 139 8.895 8.895 8.348 0.547 18411 12635 1 15 . 1 1 140 140 ALA N N 140 120.155 120.155 121.854 -1.699 18411 12636 1 15 . 1 1 140 140 ALA HA H 140 4.100 4.100 3.883 0.217 18411 12637 1 15 . 1 1 140 140 ALA C C 140 181.270 181.270 179.542 1.728 18411 12638 1 15 . 1 1 140 140 ALA CA C 140 55.203 55.203 55.498 -0.295 18411 12639 1 15 . 1 1 140 140 ALA CB C 140 17.716 17.716 18.204 -0.488 18411 12640 1 15 . 1 1 140 140 ALA H H 140 8.240 8.240 8.133 0.107 18411 12641 1 15 . 1 1 141 141 SER N N 141 114.095 114.095 114.386 -0.291 18411 12642 1 15 . 1 1 141 141 SER HA H 141 4.267 4.267 4.099 0.168 18411 12643 1 15 . 1 1 141 141 SER C C 141 176.895 176.895 176.746 0.149 18411 12644 1 15 . 1 1 141 141 SER CA C 141 61.291 61.291 61.607 -0.316 18411 12645 1 15 . 1 1 141 141 SER CB C 141 62.690 62.690 62.909 -0.219 18411 12646 1 15 . 1 1 141 141 SER H H 141 7.835 7.835 8.604 -0.769 18411 12647 1 15 . 1 1 142 142 LEU N N 142 126.764 126.764 123.525 3.239 18411 12648 1 15 . 1 1 142 142 LEU HA H 142 3.908 3.908 4.003 -0.095 18411 12649 1 15 . 1 1 142 142 LEU C C 142 176.876 176.876 178.547 -1.671 18411 12650 1 15 . 1 1 142 142 LEU CA C 142 58.757 58.757 57.665 1.092 18411 12651 1 15 . 1 1 142 142 LEU CB C 142 41.653 41.653 41.975 -0.322 18411 12652 1 15 . 1 1 142 142 LEU H H 142 7.833 7.833 7.412 0.421 18411 12653 1 15 . 1 1 143 143 VAL N N 143 119.066 119.066 118.706 0.360 18411 12654 1 15 . 1 1 143 143 VAL HA H 143 3.174 3.174 3.457 -0.283 18411 12655 1 15 . 1 1 143 143 VAL C C 143 178.479 178.479 177.935 0.544 18411 12656 1 15 . 1 1 143 143 VAL CA C 143 66.864 66.864 67.176 -0.312 18411 12657 1 15 . 1 1 143 143 VAL CB C 143 32.350 32.350 31.253 1.097 18411 12658 1 15 . 1 1 143 143 VAL H H 143 8.010 8.010 8.253 -0.243 18411 12659 1 15 . 1 1 144 144 GLN N N 144 118.170 118.170 118.095 0.075 18411 12660 1 15 . 1 1 144 144 GLN HA H 144 4.028 4.028 3.954 0.074 18411 12661 1 15 . 1 1 144 144 GLN C C 144 178.335 178.335 178.148 0.187 18411 12662 1 15 . 1 1 144 144 GLN CA C 144 59.591 59.591 58.749 0.842 18411 12663 1 15 . 1 1 144 144 GLN CB C 144 32.906 32.906 28.247 4.659 18411 12664 1 15 . 1 1 144 144 GLN H H 144 7.935 7.935 8.017 -0.082 18411 12665 1 15 . 1 1 145 145 GLN N N 145 119.839 119.839 119.937 -0.098 18411 12666 1 15 . 1 1 145 145 GLN HA H 145 4.029 4.029 3.994 0.035 18411 12667 1 15 . 1 1 145 145 GLN C C 145 178.686 178.686 178.440 0.246 18411 12668 1 15 . 1 1 145 145 GLN CA C 145 59.270 59.270 59.017 0.253 18411 12669 1 15 . 1 1 145 145 GLN CB C 145 27.587 27.587 28.579 -0.992 18411 12670 1 15 . 1 1 145 145 GLN H H 145 7.986 7.986 7.988 -0.002 18411 12671 1 15 . 1 1 146 146 ILE N N 146 119.900 119.900 120.371 -0.471 18411 12672 1 15 . 1 1 146 146 ILE HA H 146 3.345 3.345 3.528 -0.183 18411 12673 1 15 . 1 1 146 146 ILE C C 146 177.393 177.393 177.746 -0.353 18411 12674 1 15 . 1 1 146 146 ILE CA C 146 66.902 66.902 65.457 1.446 18411 12675 1 15 . 1 1 146 146 ILE CB C 146 38.281 38.281 37.674 0.607 18411 12676 1 15 . 1 1 146 146 ILE H H 146 8.171 8.171 8.396 -0.225 18411 12677 1 15 . 1 1 147 147 ASN N N 147 116.163 116.163 117.170 -1.007 18411 12678 1 15 . 1 1 147 147 ASN HA H 147 4.196 4.196 4.292 -0.096 18411 12679 1 15 . 1 1 147 147 ASN C C 147 179.035 179.035 177.397 1.638 18411 12680 1 15 . 1 1 147 147 ASN CA C 147 56.348 56.348 56.007 0.341 18411 12681 1 15 . 1 1 147 147 ASN CB C 147 38.062 38.062 37.940 0.123 18411 12682 1 15 . 1 1 147 147 ASN H H 147 7.896 7.896 8.191 -0.295 18411 12683 1 15 . 1 1 148 148 GLU N N 148 118.645 118.645 120.236 -1.591 18411 12684 1 15 . 1 1 148 148 GLU HA H 148 3.970 3.970 4.114 -0.144 18411 12685 1 15 . 1 1 148 148 GLU C C 148 179.964 179.964 178.474 1.490 18411 12686 1 15 . 1 1 148 148 GLU CA C 148 59.340 59.340 58.395 0.945 18411 12687 1 15 . 1 1 148 148 GLU CB C 148 29.572 29.572 29.252 0.320 18411 12688 1 15 . 1 1 148 148 GLU H H 148 8.311 8.311 7.692 0.619 18411 12689 1 15 . 1 1 149 149 MET N N 149 119.218 119.218 118.026 1.192 18411 12690 1 15 . 1 1 149 149 MET HA H 149 4.140 4.140 4.228 -0.088 18411 12691 1 15 . 1 1 149 149 MET C C 149 179.419 179.419 177.598 1.821 18411 12692 1 15 . 1 1 149 149 MET CA C 149 59.040 59.040 58.736 0.304 18411 12693 1 15 . 1 1 149 149 MET CB C 149 35.293 35.293 32.516 2.777 18411 12694 1 15 . 1 1 149 149 MET H H 149 8.527 8.527 7.910 0.617 18411 12695 1 15 . 1 1 150 150 LEU N N 150 118.078 118.078 115.160 2.918 18411 12696 1 15 . 1 1 150 150 LEU HA H 150 4.245 4.245 4.184 0.061 18411 12697 1 15 . 1 1 150 150 LEU C C 150 178.141 178.141 178.190 -0.049 18411 12698 1 15 . 1 1 150 150 LEU CA C 150 55.824 55.824 55.614 0.210 18411 12699 1 15 . 1 1 150 150 LEU CB C 150 41.533 41.533 41.165 0.368 18411 12700 1 15 . 1 1 150 150 LEU H H 150 7.917 7.917 7.482 0.435 18411 12701 1 15 . 1 1 151 151 LYS N N 151 120.096 120.096 116.820 3.276 18411 12702 1 15 . 1 1 151 151 LYS HA H 151 4.181 4.181 4.323 -0.142 18411 12703 1 15 . 1 1 151 151 LYS C C 151 177.029 177.029 177.179 -0.150 18411 12704 1 15 . 1 1 151 151 LYS CA C 151 57.490 57.490 56.389 1.101 18411 12705 1 15 . 1 1 151 151 LYS CB C 151 32.921 32.921 33.881 -0.960 18411 12706 1 15 . 1 1 151 151 LYS H H 151 7.466 7.466 7.797 -0.331 18411 12707 1 15 . 1 1 152 152 GLU N N 152 120.188 120.188 119.280 0.908 18411 12708 1 15 . 1 1 152 152 GLU HA H 152 4.264 4.264 3.988 0.276 18411 12709 1 15 . 1 1 152 152 GLU C C 152 177.259 177.259 175.171 2.088 18411 12710 1 15 . 1 1 152 152 GLU CA C 152 57.070 57.070 58.036 -0.966 18411 12711 1 15 . 1 1 152 152 GLU CB C 152 30.385 30.385 29.659 0.726 18411 12712 1 15 . 1 1 152 152 GLU H H 152 7.820 7.820 8.522 -0.702 18411 12713 1 15 . 1 1 153 153 GLY N N 153 109.046 109.046 106.184 2.862 18411 12714 1 15 . 1 1 153 153 GLY C C 153 174.204 174.204 175.113 -0.909 18411 12715 1 15 . 1 1 153 153 GLY CA C 153 45.327 45.327 44.906 0.422 18411 12716 1 15 . 1 1 153 153 GLY H H 153 8.278 8.278 8.258 0.020 18411 12717 1 15 . 1 1 158 158 HIS HA H 158 4.606 4.606 4.579 0.027 18411 12718 1 15 . 1 1 158 158 HIS C C 158 174.423 174.423 174.250 0.173 18411 12719 1 15 . 1 1 158 158 HIS CA C 158 56.235 56.235 56.552 -0.317 18411 12720 1 15 . 1 1 158 158 HIS CB C 158 31.028 31.028 28.157 2.871 18411 12721 1 16 . 1 1 3 3 LEU HA H 3 3.930 3.930 4.641 -0.711 18411 12722 1 16 . 1 1 3 3 LEU CA C 3 58.669 58.669 54.549 4.120 18411 12723 1 16 . 1 1 3 3 LEU CB C 3 42.010 42.010 42.423 -0.413 18411 12724 1 16 . 1 1 4 4 GLY C C 4 173.604 173.604 173.527 0.077 18411 12725 1 16 . 1 1 4 4 GLY CA C 4 46.072 46.072 45.336 0.736 18411 12726 1 16 . 1 1 5 5 TYR N N 5 116.195 116.195 118.660 -2.465 18411 12727 1 16 . 1 1 5 5 TYR HA H 5 4.769 4.769 4.548 0.221 18411 12728 1 16 . 1 1 5 5 TYR C C 5 177.898 177.898 176.434 1.464 18411 12729 1 16 . 1 1 5 5 TYR CA C 5 60.102 60.102 58.082 2.020 18411 12730 1 16 . 1 1 5 5 TYR CB C 5 39.615 39.615 39.484 0.131 18411 12731 1 16 . 1 1 5 5 TYR H H 5 7.849 7.849 7.808 0.041 18411 12732 1 16 . 1 1 6 6 ILE N N 6 115.338 115.338 118.297 -2.959 18411 12733 1 16 . 1 1 6 6 ILE HA H 6 4.514 4.514 4.423 0.091 18411 12734 1 16 . 1 1 6 6 ILE C C 6 175.977 175.977 175.517 0.460 18411 12735 1 16 . 1 1 6 6 ILE CA C 6 61.623 61.623 61.153 0.470 18411 12736 1 16 . 1 1 6 6 ILE CB C 6 38.270 38.270 38.458 -0.188 18411 12737 1 16 . 1 1 6 6 ILE H H 6 8.687 8.687 8.078 0.609 18411 12738 1 16 . 1 1 7 7 VAL N N 7 113.122 113.122 121.027 -7.905 18411 12739 1 16 . 1 1 7 7 VAL HA H 7 4.730 4.730 4.074 0.656 18411 12740 1 16 . 1 1 7 7 VAL C C 7 174.331 174.331 174.272 0.059 18411 12741 1 16 . 1 1 7 7 VAL CA C 7 58.867 58.867 61.260 -2.393 18411 12742 1 16 . 1 1 7 7 VAL CB C 7 34.475 34.475 33.138 1.337 18411 12743 1 16 . 1 1 7 7 VAL H H 7 6.845 6.845 7.431 -0.586 18411 12744 1 16 . 1 1 8 8 ARG N N 8 117.597 117.597 123.197 -5.600 18411 12745 1 16 . 1 1 8 8 ARG HA H 8 4.539 4.539 4.651 -0.112 18411 12746 1 16 . 1 1 8 8 ARG C C 8 175.618 175.618 175.579 0.039 18411 12747 1 16 . 1 1 8 8 ARG CA C 8 53.717 53.717 53.529 0.188 18411 12748 1 16 . 1 1 8 8 ARG CB C 8 34.126 34.126 32.070 2.056 18411 12749 1 16 . 1 1 8 8 ARG H H 8 7.978 7.978 8.114 -0.136 18411 12750 1 16 . 1 1 9 9 ILE N N 9 118.377 118.377 121.147 -2.770 18411 12751 1 16 . 1 1 9 9 ILE HA H 9 3.465 3.465 4.041 -0.576 18411 12752 1 16 . 1 1 9 9 ILE C C 9 177.771 177.771 177.329 0.442 18411 12753 1 16 . 1 1 9 9 ILE CA C 9 62.350 62.350 62.412 -0.062 18411 12754 1 16 . 1 1 9 9 ILE CB C 9 37.049 37.049 37.189 -0.140 18411 12755 1 16 . 1 1 9 9 ILE H H 9 8.085 8.085 8.464 -0.379 18411 12756 1 16 . 1 1 10 10 GLY N N 10 115.204 115.204 115.405 -0.201 18411 12757 1 16 . 1 1 10 10 GLY C C 10 174.235 174.235 174.588 -0.353 18411 12758 1 16 . 1 1 10 10 GLY CA C 10 44.763 44.763 44.718 0.045 18411 12759 1 16 . 1 1 10 10 GLY H H 10 9.149 9.149 9.230 -0.081 18411 12760 1 16 . 1 1 11 11 GLU N N 11 119.157 119.157 122.505 -3.348 18411 12761 1 16 . 1 1 11 11 GLU HA H 11 4.392 4.392 4.325 0.067 18411 12762 1 16 . 1 1 11 11 GLU C C 11 176.729 176.729 175.910 0.819 18411 12763 1 16 . 1 1 11 11 GLU CA C 11 55.108 55.108 56.209 -1.101 18411 12764 1 16 . 1 1 11 11 GLU CB C 11 31.473 31.473 30.316 1.157 18411 12765 1 16 . 1 1 11 11 GLU H H 11 7.631 7.631 7.717 -0.086 18411 12766 1 16 . 1 1 12 12 MET N N 12 119.646 119.646 120.702 -1.056 18411 12767 1 16 . 1 1 12 12 MET HA H 12 4.593 4.593 4.438 0.155 18411 12768 1 16 . 1 1 12 12 MET C C 12 177.162 177.162 176.393 0.769 18411 12769 1 16 . 1 1 12 12 MET CA C 12 54.475 54.475 55.336 -0.861 18411 12770 1 16 . 1 1 12 12 MET CB C 12 30.749 30.749 33.092 -2.343 18411 12771 1 16 . 1 1 12 12 MET H H 12 8.566 8.566 8.456 0.110 18411 12772 1 16 . 1 1 13 13 ALA N N 13 129.735 129.735 128.448 1.287 18411 12773 1 16 . 1 1 13 13 ALA HA H 13 4.293 4.293 4.519 -0.226 18411 12774 1 16 . 1 1 13 13 ALA C C 13 175.992 175.992 176.130 -0.138 18411 12775 1 16 . 1 1 13 13 ALA CA C 13 50.676 50.676 50.855 -0.179 18411 12776 1 16 . 1 1 13 13 ALA CB C 13 18.125 18.125 18.439 -0.314 18411 12777 1 16 . 1 1 13 13 ALA H H 13 8.626 8.626 8.673 -0.047 18411 12778 1 16 . 1 1 14 14 PRO HA H 14 4.253 4.253 4.402 -0.149 18411 12779 1 16 . 1 1 14 14 PRO C C 14 176.066 176.066 176.114 -0.048 18411 12780 1 16 . 1 1 14 14 PRO CA C 14 63.478 63.478 62.130 1.349 18411 12781 1 16 . 1 1 14 14 PRO CB C 14 32.987 32.987 32.177 0.810 18411 12782 1 16 . 1 1 15 15 ASP N N 15 123.075 123.075 119.844 3.231 18411 12783 1 16 . 1 1 15 15 ASP HA H 15 4.700 4.700 4.552 0.148 18411 12784 1 16 . 1 1 15 15 ASP C C 15 176.067 176.067 175.458 0.609 18411 12785 1 16 . 1 1 15 15 ASP CA C 15 53.628 53.628 54.309 -0.681 18411 12786 1 16 . 1 1 15 15 ASP CB C 15 41.613 41.613 41.849 -0.236 18411 12787 1 16 . 1 1 15 15 ASP H H 15 8.373 8.373 8.389 -0.016 18411 12788 1 16 . 1 1 16 16 PHE N N 16 114.256 114.256 111.835 2.421 18411 12789 1 16 . 1 1 16 16 PHE HA H 16 4.869 4.869 4.897 -0.028 18411 12790 1 16 . 1 1 16 16 PHE C C 16 173.028 173.028 173.347 -0.319 18411 12791 1 16 . 1 1 16 16 PHE CA C 16 56.721 56.721 57.302 -0.581 18411 12792 1 16 . 1 1 16 16 PHE CB C 16 40.560 40.560 41.064 -0.504 18411 12793 1 16 . 1 1 16 16 PHE H H 16 7.950 7.950 8.077 -0.127 18411 12794 1 16 . 1 1 17 17 THR N N 17 116.459 116.459 118.928 -2.469 18411 12795 1 16 . 1 1 17 17 THR HA H 17 5.244 5.244 5.241 0.003 18411 12796 1 16 . 1 1 17 17 THR C C 17 172.722 172.722 173.622 -0.900 18411 12797 1 16 . 1 1 17 17 THR CA C 17 62.061 62.061 61.215 0.846 18411 12798 1 16 . 1 1 17 17 THR CB C 17 70.882 70.882 69.809 1.073 18411 12799 1 16 . 1 1 17 17 THR H H 17 8.596 8.596 8.567 0.029 18411 12800 1 16 . 1 1 18 18 ILE N N 18 128.165 128.165 127.141 1.024 18411 12801 1 16 . 1 1 18 18 ILE HA H 18 4.995 4.995 4.639 0.356 18411 12802 1 16 . 1 1 18 18 ILE C C 18 172.309 172.309 174.324 -2.015 18411 12803 1 16 . 1 1 18 18 ILE CA C 18 59.123 59.123 58.871 0.252 18411 12804 1 16 . 1 1 18 18 ILE CB C 18 43.984 43.984 41.609 2.375 18411 12805 1 16 . 1 1 18 18 ILE H H 18 9.574 9.574 8.431 1.143 18411 12806 1 16 . 1 1 19 19 THR N N 19 124.473 124.473 124.630 -0.157 18411 12807 1 16 . 1 1 19 19 THR HA H 19 4.821 4.821 4.687 0.134 18411 12808 1 16 . 1 1 19 19 THR C C 19 174.104 174.104 174.326 -0.222 18411 12809 1 16 . 1 1 19 19 THR CA C 19 62.316 62.316 62.193 0.124 18411 12810 1 16 . 1 1 19 19 THR CB C 19 69.287 69.287 69.020 0.267 18411 12811 1 16 . 1 1 19 19 THR H H 19 9.081 9.081 8.721 0.360 18411 12812 1 16 . 1 1 20 20 LEU N N 20 125.167 125.167 127.848 -2.681 18411 12813 1 16 . 1 1 20 20 LEU HA H 20 5.082 5.082 4.560 0.522 18411 12814 1 16 . 1 1 20 20 LEU C C 20 181.023 181.023 179.398 1.625 18411 12815 1 16 . 1 1 20 20 LEU CA C 20 54.191 54.191 54.770 -0.579 18411 12816 1 16 . 1 1 20 20 LEU CB C 20 42.219 42.219 42.550 -0.331 18411 12817 1 16 . 1 1 20 20 LEU H H 20 9.227 9.227 9.162 0.065 18411 12818 1 16 . 1 1 21 21 THR N N 21 109.887 109.887 113.428 -3.541 18411 12819 1 16 . 1 1 21 21 THR HA H 21 3.831 3.831 4.006 -0.175 18411 12820 1 16 . 1 1 21 21 THR C C 21 174.716 174.716 175.398 -0.682 18411 12821 1 16 . 1 1 21 21 THR CA C 21 64.992 64.992 65.440 -0.448 18411 12822 1 16 . 1 1 21 21 THR CB C 21 68.529 68.529 68.788 -0.259 18411 12823 1 16 . 1 1 21 21 THR H H 21 8.603 8.603 8.825 -0.222 18411 12824 1 16 . 1 1 22 22 ASP N N 22 117.311 117.311 119.906 -2.595 18411 12825 1 16 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.725 -0.131 18411 12826 1 16 . 1 1 22 22 ASP C C 22 177.771 177.771 176.241 1.530 18411 12827 1 16 . 1 1 22 22 ASP CA C 22 53.173 53.173 52.979 0.194 18411 12828 1 16 . 1 1 22 22 ASP CB C 22 40.449 40.449 40.350 0.099 18411 12829 1 16 . 1 1 22 22 ASP H H 22 7.530 7.530 7.894 -0.364 18411 12830 1 16 . 1 1 23 23 GLY N N 23 108.847 108.847 108.001 0.846 18411 12831 1 16 . 1 1 23 23 GLY C C 23 174.806 174.806 173.935 0.871 18411 12832 1 16 . 1 1 23 23 GLY CA C 23 45.028 45.028 45.682 -0.654 18411 12833 1 16 . 1 1 23 23 GLY H H 23 8.203 8.203 7.848 0.355 18411 12834 1 16 . 1 1 24 24 LYS N N 24 122.092 122.092 120.323 1.769 18411 12835 1 16 . 1 1 24 24 LYS HA H 24 4.267 4.267 4.533 -0.266 18411 12836 1 16 . 1 1 24 24 LYS C C 24 175.350 175.350 175.596 -0.246 18411 12837 1 16 . 1 1 24 24 LYS CA C 24 57.060 57.060 54.711 2.349 18411 12838 1 16 . 1 1 24 24 LYS CB C 24 33.271 33.271 33.122 0.149 18411 12839 1 16 . 1 1 24 24 LYS H H 24 7.881 7.881 7.657 0.224 18411 12840 1 16 . 1 1 25 25 GLN N N 25 119.585 119.585 124.506 -4.921 18411 12841 1 16 . 1 1 25 25 GLN HA H 25 5.561 5.561 5.483 0.078 18411 12842 1 16 . 1 1 25 25 GLN C C 25 176.631 176.631 175.895 0.736 18411 12843 1 16 . 1 1 25 25 GLN CA C 25 54.572 54.572 55.124 -0.552 18411 12844 1 16 . 1 1 25 25 GLN CB C 25 31.621 31.621 30.254 1.367 18411 12845 1 16 . 1 1 25 25 GLN H H 25 8.365 8.365 8.701 -0.336 18411 12846 1 16 . 1 1 26 26 VAL N N 26 123.115 123.115 120.630 2.485 18411 12847 1 16 . 1 1 26 26 VAL HA H 26 4.466 4.466 4.603 -0.137 18411 12848 1 16 . 1 1 26 26 VAL C C 26 174.390 174.390 174.273 0.117 18411 12849 1 16 . 1 1 26 26 VAL CA C 26 61.142 61.142 59.566 1.576 18411 12850 1 16 . 1 1 26 26 VAL CB C 26 35.962 35.962 35.330 0.633 18411 12851 1 16 . 1 1 26 26 VAL H H 26 9.069 9.069 8.732 0.337 18411 12852 1 16 . 1 1 27 27 THR N N 27 122.509 122.509 119.175 3.334 18411 12853 1 16 . 1 1 27 27 THR HA H 27 5.437 5.437 4.993 0.444 18411 12854 1 16 . 1 1 27 27 THR C C 27 176.330 176.330 175.159 1.171 18411 12855 1 16 . 1 1 27 27 THR CA C 27 60.068 60.068 60.058 0.010 18411 12856 1 16 . 1 1 27 27 THR CB C 27 70.655 70.655 70.812 -0.157 18411 12857 1 16 . 1 1 27 27 THR H H 27 8.256 8.256 8.068 0.188 18411 12858 1 16 . 1 1 28 28 LEU N N 28 131.816 131.816 126.051 5.765 18411 12859 1 16 . 1 1 28 28 LEU HA H 28 3.607 3.607 3.821 -0.214 18411 12860 1 16 . 1 1 28 28 LEU C C 28 180.093 180.093 178.086 2.007 18411 12861 1 16 . 1 1 28 28 LEU CA C 28 59.264 59.264 57.851 1.413 18411 12862 1 16 . 1 1 28 28 LEU CB C 28 39.396 39.396 41.938 -2.542 18411 12863 1 16 . 1 1 28 28 LEU H H 28 8.311 8.311 7.998 0.313 18411 12864 1 16 . 1 1 29 29 SER N N 29 114.727 114.727 113.148 1.579 18411 12865 1 16 . 1 1 29 29 SER HA H 29 4.003 4.003 4.084 -0.081 18411 12866 1 16 . 1 1 29 29 SER C C 29 177.762 177.762 176.270 1.492 18411 12867 1 16 . 1 1 29 29 SER CA C 29 60.896 60.896 61.156 -0.260 18411 12868 1 16 . 1 1 29 29 SER CB C 29 61.091 61.091 62.597 -1.506 18411 12869 1 16 . 1 1 29 29 SER H H 29 9.491 9.491 8.673 0.818 18411 12870 1 16 . 1 1 30 30 SER N N 30 119.100 119.100 117.676 1.424 18411 12871 1 16 . 1 1 30 30 SER HA H 30 4.476 4.476 4.324 0.152 18411 12872 1 16 . 1 1 30 30 SER C C 30 175.104 175.104 174.740 0.364 18411 12873 1 16 . 1 1 30 30 SER CA C 30 60.661 60.661 60.925 -0.264 18411 12874 1 16 . 1 1 30 30 SER CB C 30 63.174 63.174 63.443 -0.269 18411 12875 1 16 . 1 1 30 30 SER H H 30 7.878 7.878 7.581 0.297 18411 12876 1 16 . 1 1 31 31 LEU N N 31 121.415 121.415 119.833 1.582 18411 12877 1 16 . 1 1 31 31 LEU HA H 31 4.258 4.258 4.537 -0.279 18411 12878 1 16 . 1 1 31 31 LEU C C 31 175.710 175.710 175.660 0.050 18411 12879 1 16 . 1 1 31 31 LEU CA C 31 53.804 53.804 53.298 0.506 18411 12880 1 16 . 1 1 31 31 LEU CB C 31 41.285 41.285 41.412 -0.127 18411 12881 1 16 . 1 1 31 31 LEU H H 31 8.026 8.026 7.608 0.418 18411 12882 1 16 . 1 1 32 32 ARG N N 32 119.061 119.061 120.250 -1.189 18411 12883 1 16 . 1 1 32 32 ARG HA H 32 4.411 4.411 4.152 0.259 18411 12884 1 16 . 1 1 32 32 ARG C C 32 177.585 177.585 177.021 0.564 18411 12885 1 16 . 1 1 32 32 ARG CA C 32 57.590 57.590 56.953 0.637 18411 12886 1 16 . 1 1 32 32 ARG CB C 32 29.497 29.497 30.173 -0.676 18411 12887 1 16 . 1 1 32 32 ARG H H 32 6.788 6.788 7.148 -0.360 18411 12888 1 16 . 1 1 33 33 GLY N N 33 114.033 114.033 109.916 4.117 18411 12889 1 16 . 1 1 33 33 GLY C C 33 173.456 173.456 172.960 0.496 18411 12890 1 16 . 1 1 33 33 GLY CA C 33 44.684 44.684 45.088 -0.404 18411 12891 1 16 . 1 1 33 33 GLY H H 33 9.120 9.120 8.472 0.648 18411 12892 1 16 . 1 1 34 34 LYS N N 34 120.270 120.270 119.784 0.486 18411 12893 1 16 . 1 1 34 34 LYS HA H 34 4.606 4.606 5.134 -0.528 18411 12894 1 16 . 1 1 34 34 LYS C C 34 175.350 175.350 175.598 -0.248 18411 12895 1 16 . 1 1 34 34 LYS CA C 34 54.786 54.786 53.868 0.918 18411 12896 1 16 . 1 1 34 34 LYS CB C 34 34.125 34.125 35.807 -1.683 18411 12897 1 16 . 1 1 34 34 LYS H H 34 8.146 8.146 7.267 0.879 18411 12898 1 16 . 1 1 35 35 VAL N N 35 122.059 122.059 122.616 -0.557 18411 12899 1 16 . 1 1 35 35 VAL HA H 35 4.020 4.020 4.178 -0.158 18411 12900 1 16 . 1 1 35 35 VAL C C 35 174.699 174.699 174.394 0.305 18411 12901 1 16 . 1 1 35 35 VAL CA C 35 63.108 63.108 61.857 1.251 18411 12902 1 16 . 1 1 35 35 VAL CB C 35 33.022 33.022 32.342 0.680 18411 12903 1 16 . 1 1 35 35 VAL H H 35 8.757 8.757 8.114 0.643 18411 12904 1 16 . 1 1 36 36 VAL N N 36 125.815 125.815 129.756 -3.941 18411 12905 1 16 . 1 1 36 36 VAL HA H 36 4.856 4.856 4.689 0.167 18411 12906 1 16 . 1 1 36 36 VAL C C 36 174.622 174.622 174.418 0.204 18411 12907 1 16 . 1 1 36 36 VAL CA C 36 60.078 60.078 60.574 -0.496 18411 12908 1 16 . 1 1 36 36 VAL CB C 36 35.605 35.605 32.743 2.862 18411 12909 1 16 . 1 1 36 36 VAL H H 36 8.485 8.485 8.275 0.210 18411 12910 1 16 . 1 1 37 37 MET N N 37 126.478 126.478 128.299 -1.821 18411 12911 1 16 . 1 1 37 37 MET HA H 37 5.383 5.383 5.258 0.125 18411 12912 1 16 . 1 1 37 37 MET C C 37 173.473 173.473 173.493 -0.020 18411 12913 1 16 . 1 1 37 37 MET CA C 37 53.661 53.661 52.979 0.682 18411 12914 1 16 . 1 1 37 37 MET CB C 37 35.948 35.948 35.637 0.311 18411 12915 1 16 . 1 1 37 37 MET H H 37 8.694 8.694 8.935 -0.241 18411 12916 1 16 . 1 1 38 38 LEU N N 38 124.275 124.275 125.525 -1.250 18411 12917 1 16 . 1 1 38 38 LEU HA H 38 5.100 5.100 5.347 -0.247 18411 12918 1 16 . 1 1 38 38 LEU C C 38 175.828 175.828 175.042 0.786 18411 12919 1 16 . 1 1 38 38 LEU CA C 38 52.144 52.144 53.370 -1.226 18411 12920 1 16 . 1 1 38 38 LEU CB C 38 42.898 42.898 45.463 -2.565 18411 12921 1 16 . 1 1 38 38 LEU H H 38 9.181 9.181 9.232 -0.051 18411 12922 1 16 . 1 1 39 39 GLN N N 39 124.390 124.390 118.440 5.950 18411 12923 1 16 . 1 1 39 39 GLN HA H 39 5.369 5.369 5.200 0.169 18411 12924 1 16 . 1 1 39 39 GLN C C 39 175.696 175.696 174.656 1.040 18411 12925 1 16 . 1 1 39 39 GLN CA C 39 54.025 54.025 53.804 0.221 18411 12926 1 16 . 1 1 39 39 GLN CB C 39 28.735 28.735 31.718 -2.983 18411 12927 1 16 . 1 1 39 39 GLN H H 39 8.325 8.325 8.202 0.123 18411 12928 1 16 . 1 1 40 40 PHE N N 40 128.800 128.800 124.342 4.458 18411 12929 1 16 . 1 1 40 40 PHE HA H 40 5.182 5.182 5.745 -0.563 18411 12930 1 16 . 1 1 40 40 PHE C C 40 175.432 175.432 176.138 -0.706 18411 12931 1 16 . 1 1 40 40 PHE CA C 40 59.370 59.370 56.965 2.405 18411 12932 1 16 . 1 1 40 40 PHE CB C 40 39.256 39.256 39.436 -0.180 18411 12933 1 16 . 1 1 40 40 PHE H H 40 8.899 8.899 9.379 -0.480 18411 12934 1 16 . 1 1 41 41 THR N N 41 117.616 117.616 116.591 1.025 18411 12935 1 16 . 1 1 41 41 THR HA H 41 5.274 5.274 4.689 0.585 18411 12936 1 16 . 1 1 41 41 THR C C 41 170.795 170.795 172.386 -1.591 18411 12937 1 16 . 1 1 41 41 THR CA C 41 59.448 59.448 59.171 0.277 18411 12938 1 16 . 1 1 41 41 THR CB C 41 70.892 70.892 71.593 -0.701 18411 12939 1 16 . 1 1 41 41 THR H H 41 8.589 8.589 8.772 -0.183 18411 12940 1 16 . 1 1 42 42 ALA N N 42 122.005 122.005 122.178 -0.173 18411 12941 1 16 . 1 1 42 42 ALA HA H 42 4.162 4.162 4.829 -0.667 18411 12942 1 16 . 1 1 42 42 ALA C C 42 177.618 177.618 176.607 1.011 18411 12943 1 16 . 1 1 42 42 ALA CA C 42 52.454 52.454 51.056 1.398 18411 12944 1 16 . 1 1 42 42 ALA CB C 42 20.704 20.704 21.001 -0.297 18411 12945 1 16 . 1 1 42 42 ALA H H 42 7.201 7.201 7.765 -0.564 18411 12946 1 16 . 1 1 43 43 SER N N 43 117.426 117.426 119.036 -1.610 18411 12947 1 16 . 1 1 43 43 SER HA H 43 1.542 1.542 2.301 -0.759 18411 12948 1 16 . 1 1 43 43 SER C C 43 174.845 174.845 175.165 -0.320 18411 12949 1 16 . 1 1 43 43 SER CA C 43 60.202 60.202 60.501 -0.299 18411 12950 1 16 . 1 1 43 43 SER CB C 43 63.040 63.040 62.939 0.101 18411 12951 1 16 . 1 1 43 43 SER H H 43 9.472 9.472 8.545 0.927 18411 12952 1 16 . 1 1 44 44 TRP N N 44 116.512 116.512 117.038 -0.526 18411 12953 1 16 . 1 1 44 44 TRP HA H 44 4.495 4.495 4.765 -0.270 18411 12954 1 16 . 1 1 44 44 TRP C C 44 176.297 176.297 175.996 0.301 18411 12955 1 16 . 1 1 44 44 TRP CA C 44 53.405 53.405 55.025 -1.620 18411 12956 1 16 . 1 1 44 44 TRP CB C 44 29.450 29.450 28.517 0.933 18411 12957 1 16 . 1 1 44 44 TRP H H 44 6.345 6.345 7.074 -0.729 18411 12958 1 16 . 1 1 45 45 CYS N N 45 125.015 125.015 121.003 4.012 18411 12959 1 16 . 1 1 45 45 CYS HA H 45 4.501 4.501 4.379 0.122 18411 12960 1 16 . 1 1 45 45 CYS C C 45 176.409 176.409 175.984 0.425 18411 12961 1 16 . 1 1 45 45 CYS CA C 45 58.904 58.904 58.421 0.483 18411 12962 1 16 . 1 1 45 45 CYS CB C 45 28.203 28.203 29.548 -1.345 18411 12963 1 16 . 1 1 45 45 CYS H H 45 6.982 6.982 7.092 -0.110 18411 12964 1 16 . 1 1 46 46 GLY CA C 46 47.225 47.225 46.342 0.883 18411 12965 1 16 . 1 1 47 47 VAL HA H 47 3.804 3.804 3.694 0.110 18411 12966 1 16 . 1 1 47 47 VAL CA C 47 66.661 66.661 65.247 1.414 18411 12967 1 16 . 1 1 47 47 VAL CB C 47 31.506 31.506 31.705 -0.199 18411 12968 1 16 . 1 1 48 48 CYS HA H 48 3.875 3.875 4.257 -0.382 18411 12969 1 16 . 1 1 48 48 CYS C C 48 177.961 177.961 175.947 2.014 18411 12970 1 16 . 1 1 48 48 CYS CA C 48 65.053 65.053 62.561 2.492 18411 12971 1 16 . 1 1 48 48 CYS CB C 48 28.741 28.741 26.576 2.165 18411 12972 1 16 . 1 1 49 49 ARG N N 49 115.039 115.039 119.335 -4.296 18411 12973 1 16 . 1 1 49 49 ARG HA H 49 3.898 3.898 4.176 -0.278 18411 12974 1 16 . 1 1 49 49 ARG C C 49 177.871 177.871 176.926 0.945 18411 12975 1 16 . 1 1 49 49 ARG CA C 49 59.837 59.837 58.128 1.709 18411 12976 1 16 . 1 1 49 49 ARG CB C 49 30.585 30.585 29.950 0.635 18411 12977 1 16 . 1 1 49 49 ARG H H 49 7.658 7.658 7.491 0.167 18411 12978 1 16 . 1 1 50 50 LYS N N 50 117.909 117.909 119.525 -1.616 18411 12979 1 16 . 1 1 50 50 LYS HA H 50 4.098 4.098 4.005 0.093 18411 12980 1 16 . 1 1 50 50 LYS C C 50 177.723 177.723 177.451 0.272 18411 12981 1 16 . 1 1 50 50 LYS CA C 50 58.198 58.198 59.328 -1.130 18411 12982 1 16 . 1 1 50 50 LYS CB C 50 32.803 32.803 32.430 0.373 18411 12983 1 16 . 1 1 50 50 LYS H H 50 7.385 7.385 7.979 -0.594 18411 12984 1 16 . 1 1 51 51 GLU N N 51 117.196 117.196 119.574 -2.378 18411 12985 1 16 . 1 1 51 51 GLU HA H 51 3.453 3.453 3.779 -0.326 18411 12986 1 16 . 1 1 51 51 GLU C C 51 179.194 179.194 178.957 0.237 18411 12987 1 16 . 1 1 51 51 GLU CA C 51 57.754 57.754 58.586 -0.832 18411 12988 1 16 . 1 1 51 51 GLU CB C 51 29.825 29.825 29.011 0.814 18411 12989 1 16 . 1 1 51 51 GLU H H 51 7.764 7.764 7.320 0.444 18411 12990 1 16 . 1 1 52 52 MET N N 52 118.785 118.785 121.771 -2.986 18411 12991 1 16 . 1 1 52 52 MET HA H 52 3.979 3.979 4.453 -0.474 18411 12992 1 16 . 1 1 52 52 MET C C 52 174.346 174.346 175.424 -1.078 18411 12993 1 16 . 1 1 52 52 MET CA C 52 62.384 62.384 59.960 2.424 18411 12994 1 16 . 1 1 52 52 MET CB C 52 32.805 32.805 29.994 2.811 18411 12995 1 16 . 1 1 52 52 MET H H 52 8.100 8.100 8.726 -0.626 18411 12996 1 16 . 1 1 53 53 PRO HA H 53 4.299 4.299 4.250 0.049 18411 12997 1 16 . 1 1 53 53 PRO C C 53 179.242 179.242 179.387 -0.145 18411 12998 1 16 . 1 1 53 53 PRO CA C 53 65.708 65.708 66.181 -0.473 18411 12999 1 16 . 1 1 53 53 PRO CB C 53 31.570 31.570 31.438 0.132 18411 13000 1 16 . 1 1 54 54 PHE N N 54 116.067 116.067 117.420 -1.353 18411 13001 1 16 . 1 1 54 54 PHE HA H 54 4.372 4.372 4.364 0.008 18411 13002 1 16 . 1 1 54 54 PHE C C 54 178.283 178.283 178.451 -0.168 18411 13003 1 16 . 1 1 54 54 PHE CA C 54 61.249 61.249 62.730 -1.481 18411 13004 1 16 . 1 1 54 54 PHE CB C 54 38.366 38.366 38.893 -0.527 18411 13005 1 16 . 1 1 54 54 PHE H H 54 7.251 7.251 7.854 -0.603 18411 13006 1 16 . 1 1 55 55 ILE N N 55 122.051 122.051 119.890 2.161 18411 13007 1 16 . 1 1 55 55 ILE HA H 55 3.746 3.746 3.962 -0.216 18411 13008 1 16 . 1 1 55 55 ILE C C 55 179.005 179.005 178.432 0.573 18411 13009 1 16 . 1 1 55 55 ILE CA C 55 66.678 66.678 66.300 0.378 18411 13010 1 16 . 1 1 55 55 ILE CB C 55 37.449 37.449 37.813 -0.364 18411 13011 1 16 . 1 1 55 55 ILE H H 55 7.935 7.935 9.221 -1.286 18411 13012 1 16 . 1 1 56 56 GLU N N 56 120.941 120.941 119.672 1.269 18411 13013 1 16 . 1 1 56 56 GLU HA H 56 4.578 4.578 4.263 0.315 18411 13014 1 16 . 1 1 56 56 GLU C C 56 177.034 177.034 179.208 -2.174 18411 13015 1 16 . 1 1 56 56 GLU CA C 56 59.607 59.607 59.915 -0.308 18411 13016 1 16 . 1 1 56 56 GLU CB C 56 29.640 29.640 29.167 0.473 18411 13017 1 16 . 1 1 56 56 GLU H H 56 8.657 8.657 8.223 0.434 18411 13018 1 16 . 1 1 57 57 LYS N N 57 114.712 114.712 119.383 -4.671 18411 13019 1 16 . 1 1 57 57 LYS HA H 57 4.165 4.165 4.066 0.099 18411 13020 1 16 . 1 1 57 57 LYS C C 57 177.831 177.831 178.926 -1.095 18411 13021 1 16 . 1 1 57 57 LYS CA C 57 59.905 59.905 59.631 0.274 18411 13022 1 16 . 1 1 57 57 LYS CB C 57 33.873 33.873 32.605 1.268 18411 13023 1 16 . 1 1 57 57 LYS H H 57 7.719 7.719 8.132 -0.413 18411 13024 1 16 . 1 1 58 58 ASP N N 58 114.953 114.953 117.779 -2.826 18411 13025 1 16 . 1 1 58 58 ASP HA H 58 4.843 4.843 4.728 0.115 18411 13026 1 16 . 1 1 58 58 ASP C C 58 176.515 176.515 179.254 -2.739 18411 13027 1 16 . 1 1 58 58 ASP CA C 58 56.125 56.125 56.772 -0.647 18411 13028 1 16 . 1 1 58 58 ASP CB C 58 42.087 42.087 42.330 -0.243 18411 13029 1 16 . 1 1 58 58 ASP H H 58 8.783 8.783 8.535 0.248 18411 13030 1 16 . 1 1 59 59 ILE N N 59 115.807 115.807 121.715 -5.908 18411 13031 1 16 . 1 1 59 59 ILE HA H 59 4.268 4.268 3.900 0.368 18411 13032 1 16 . 1 1 59 59 ILE C C 59 176.369 176.369 177.414 -1.045 18411 13033 1 16 . 1 1 59 59 ILE CA C 59 63.757 63.757 64.830 -1.073 18411 13034 1 16 . 1 1 59 59 ILE CB C 59 40.396 40.396 38.572 1.824 18411 13035 1 16 . 1 1 59 59 ILE H H 59 7.455 7.455 7.910 -0.455 18411 13036 1 16 . 1 1 60 60 TRP N N 60 120.937 120.937 121.184 -0.247 18411 13037 1 16 . 1 1 60 60 TRP HA H 60 4.727 4.727 4.448 0.279 18411 13038 1 16 . 1 1 60 60 TRP C C 60 177.428 177.428 178.053 -0.625 18411 13039 1 16 . 1 1 60 60 TRP CA C 60 60.644 60.644 59.986 0.658 18411 13040 1 16 . 1 1 60 60 TRP CB C 60 30.907 30.907 30.628 0.279 18411 13041 1 16 . 1 1 60 60 TRP H H 60 9.012 9.012 8.743 0.269 18411 13042 1 16 . 1 1 61 61 LEU N N 61 113.624 113.624 120.157 -6.533 18411 13043 1 16 . 1 1 61 61 LEU HA H 61 3.572 3.572 3.882 -0.310 18411 13044 1 16 . 1 1 61 61 LEU C C 61 179.473 179.473 178.603 0.870 18411 13045 1 16 . 1 1 61 61 LEU CA C 61 57.569 57.569 58.029 -0.460 18411 13046 1 16 . 1 1 61 61 LEU CB C 61 41.040 41.040 41.443 -0.403 18411 13047 1 16 . 1 1 61 61 LEU H H 61 9.210 9.210 8.207 1.003 18411 13048 1 16 . 1 1 62 62 LYS N N 62 112.991 112.991 115.393 -2.402 18411 13049 1 16 . 1 1 62 62 LYS HA H 62 3.889 3.889 3.946 -0.057 18411 13050 1 16 . 1 1 62 62 LYS C C 62 178.111 178.111 177.626 0.485 18411 13051 1 16 . 1 1 62 62 LYS CA C 62 56.667 56.667 57.786 -1.119 18411 13052 1 16 . 1 1 62 62 LYS CB C 62 31.651 31.651 32.380 -0.729 18411 13053 1 16 . 1 1 62 62 LYS H H 62 6.216 6.216 7.798 -1.582 18411 13054 1 16 . 1 1 63 63 HIS N N 63 114.656 114.656 113.739 0.917 18411 13055 1 16 . 1 1 63 63 HIS HA H 63 4.943 4.943 4.708 0.235 18411 13056 1 16 . 1 1 63 63 HIS C C 63 177.057 177.057 175.442 1.615 18411 13057 1 16 . 1 1 63 63 HIS CA C 63 56.133 56.133 56.454 -0.321 18411 13058 1 16 . 1 1 63 63 HIS CB C 63 33.235 33.235 32.638 0.597 18411 13059 1 16 . 1 1 63 63 HIS H H 63 7.067 7.067 7.548 -0.481 18411 13060 1 16 . 1 1 64 64 LYS N N 64 119.155 119.155 117.533 1.622 18411 13061 1 16 . 1 1 64 64 LYS HA H 64 3.513 3.513 2.441 1.072 18411 13062 1 16 . 1 1 64 64 LYS C C 64 177.074 177.074 177.174 -0.100 18411 13063 1 16 . 1 1 64 64 LYS CA C 64 59.166 59.166 58.848 0.318 18411 13064 1 16 . 1 1 64 64 LYS CB C 64 28.740 28.740 30.127 -1.387 18411 13065 1 16 . 1 1 64 64 LYS H H 64 8.114 8.114 8.441 -0.327 18411 13066 1 16 . 1 1 65 65 ASP N N 65 117.882 117.882 118.394 -0.512 18411 13067 1 16 . 1 1 65 65 ASP HA H 65 4.714 4.714 4.773 -0.059 18411 13068 1 16 . 1 1 65 65 ASP C C 65 175.195 175.195 177.784 -2.589 18411 13069 1 16 . 1 1 65 65 ASP CA C 65 54.204 54.204 55.153 -0.949 18411 13070 1 16 . 1 1 65 65 ASP CB C 65 40.564 40.564 41.851 -1.287 18411 13071 1 16 . 1 1 65 65 ASP H H 65 7.963 7.963 8.046 -0.083 18411 13072 1 16 . 1 1 66 66 ASN N N 66 122.091 122.091 117.738 4.353 18411 13073 1 16 . 1 1 66 66 ASN HA H 66 4.659 4.659 4.223 0.436 18411 13074 1 16 . 1 1 66 66 ASN C C 66 176.046 176.046 175.178 0.868 18411 13075 1 16 . 1 1 66 66 ASN CA C 66 52.799 52.799 54.526 -1.727 18411 13076 1 16 . 1 1 66 66 ASN CB C 66 39.054 39.054 37.823 1.231 18411 13077 1 16 . 1 1 66 66 ASN H H 66 8.184 8.184 8.435 -0.251 18411 13078 1 16 . 1 1 67 67 ALA N N 67 128.893 128.893 116.701 12.192 18411 13079 1 16 . 1 1 67 67 ALA HA H 67 4.295 4.295 3.858 0.437 18411 13080 1 16 . 1 1 67 67 ALA C C 67 177.886 177.886 177.320 0.566 18411 13081 1 16 . 1 1 67 67 ALA CA C 67 54.049 54.049 54.305 -0.256 18411 13082 1 16 . 1 1 67 67 ALA CB C 67 18.549 18.549 18.287 0.262 18411 13083 1 16 . 1 1 67 67 ALA H H 67 8.806 8.806 8.464 0.342 18411 13084 1 16 . 1 1 68 68 ASP N N 68 116.612 116.612 116.681 -0.069 18411 13085 1 16 . 1 1 68 68 ASP HA H 68 4.823 4.823 4.987 -0.164 18411 13086 1 16 . 1 1 68 68 ASP C C 68 173.310 173.310 173.766 -0.456 18411 13087 1 16 . 1 1 68 68 ASP CA C 68 54.202 54.202 53.640 0.562 18411 13088 1 16 . 1 1 68 68 ASP CB C 68 40.892 40.892 43.005 -2.113 18411 13089 1 16 . 1 1 68 68 ASP H H 68 8.759 8.759 7.909 0.850 18411 13090 1 16 . 1 1 69 69 PHE N N 69 119.640 119.640 121.921 -2.281 18411 13091 1 16 . 1 1 69 69 PHE HA H 69 5.741 5.741 5.392 0.349 18411 13092 1 16 . 1 1 69 69 PHE C C 69 173.860 173.860 172.761 1.099 18411 13093 1 16 . 1 1 69 69 PHE CA C 69 56.192 56.192 55.841 0.351 18411 13094 1 16 . 1 1 69 69 PHE CB C 69 43.496 43.496 42.205 1.291 18411 13095 1 16 . 1 1 69 69 PHE H H 69 7.912 7.912 8.112 -0.200 18411 13096 1 16 . 1 1 70 70 ALA N N 70 130.226 130.226 131.795 -1.569 18411 13097 1 16 . 1 1 70 70 ALA HA H 70 4.321 4.321 4.743 -0.422 18411 13098 1 16 . 1 1 70 70 ALA C C 70 171.945 171.945 174.733 -2.788 18411 13099 1 16 . 1 1 70 70 ALA CA C 70 51.573 51.573 50.213 1.360 18411 13100 1 16 . 1 1 70 70 ALA CB C 70 23.273 23.273 20.549 2.724 18411 13101 1 16 . 1 1 70 70 ALA H H 70 8.298 8.298 8.763 -0.465 18411 13102 1 16 . 1 1 71 71 LEU N N 71 122.090 122.090 126.955 -4.865 18411 13103 1 16 . 1 1 71 71 LEU HA H 71 5.120 5.120 5.019 0.101 18411 13104 1 16 . 1 1 71 71 LEU C C 71 174.836 174.836 175.539 -0.703 18411 13105 1 16 . 1 1 71 71 LEU CA C 71 53.348 53.348 53.836 -0.488 18411 13106 1 16 . 1 1 71 71 LEU CB C 71 46.617 46.617 43.664 2.953 18411 13107 1 16 . 1 1 71 71 LEU H H 71 7.217 7.217 8.660 -1.443 18411 13108 1 16 . 1 1 72 72 ILE N N 72 123.189 123.189 126.618 -3.429 18411 13109 1 16 . 1 1 72 72 ILE HA H 72 4.336 4.336 4.433 -0.097 18411 13110 1 16 . 1 1 72 72 ILE C C 72 175.377 175.377 174.897 0.480 18411 13111 1 16 . 1 1 72 72 ILE CA C 72 60.236 60.236 59.964 0.272 18411 13112 1 16 . 1 1 72 72 ILE CB C 72 42.355 42.355 40.574 1.781 18411 13113 1 16 . 1 1 72 72 ILE H H 72 8.211 8.211 9.166 -0.955 18411 13114 1 16 . 1 1 73 73 GLY N N 73 114.189 114.189 115.155 -0.966 18411 13115 1 16 . 1 1 73 73 GLY C C 73 172.626 172.626 172.814 -0.188 18411 13116 1 16 . 1 1 73 73 GLY CA C 73 44.213 44.213 43.828 0.385 18411 13117 1 16 . 1 1 73 73 GLY H H 73 9.202 9.202 8.615 0.587 18411 13118 1 16 . 1 1 74 74 ILE N N 74 126.577 126.577 125.611 0.966 18411 13119 1 16 . 1 1 74 74 ILE HA H 74 3.873 3.873 4.491 -0.618 18411 13120 1 16 . 1 1 74 74 ILE C C 74 174.792 174.792 174.262 0.530 18411 13121 1 16 . 1 1 74 74 ILE CA C 74 61.660 61.660 60.331 1.329 18411 13122 1 16 . 1 1 74 74 ILE CB C 74 37.394 37.394 40.075 -2.681 18411 13123 1 16 . 1 1 74 74 ILE H H 74 9.279 9.279 9.248 0.031 18411 13124 1 16 . 1 1 75 75 ASP N N 75 129.040 129.040 128.101 0.939 18411 13125 1 16 . 1 1 75 75 ASP HA H 75 5.213 5.213 5.133 0.080 18411 13126 1 16 . 1 1 75 75 ASP C C 75 175.696 175.696 176.739 -1.043 18411 13127 1 16 . 1 1 75 75 ASP CA C 75 52.425 52.425 53.703 -1.278 18411 13128 1 16 . 1 1 75 75 ASP CB C 75 41.673 41.673 43.669 -1.996 18411 13129 1 16 . 1 1 75 75 ASP H H 75 8.592 8.592 8.911 -0.319 18411 13130 1 16 . 1 1 76 76 ARG N N 76 128.762 128.762 125.681 3.081 18411 13131 1 16 . 1 1 76 76 ARG HA H 76 4.346 4.346 3.957 0.389 18411 13132 1 16 . 1 1 76 76 ARG C C 76 174.562 174.562 176.382 -1.820 18411 13133 1 16 . 1 1 76 76 ARG CA C 76 58.885 58.885 59.320 -0.435 18411 13134 1 16 . 1 1 76 76 ARG CB C 76 32.732 32.732 30.862 1.870 18411 13135 1 16 . 1 1 76 76 ARG H H 76 8.842 8.842 8.860 -0.018 18411 13136 1 16 . 1 1 77 77 ASP N N 77 128.451 128.451 111.867 16.584 18411 13137 1 16 . 1 1 77 77 ASP HA H 77 4.473 4.473 4.786 -0.313 18411 13138 1 16 . 1 1 77 77 ASP C C 77 173.969 173.969 175.795 -1.826 18411 13139 1 16 . 1 1 77 77 ASP CA C 77 56.139 56.139 53.677 2.462 18411 13140 1 16 . 1 1 77 77 ASP CB C 77 42.541 42.541 42.527 0.014 18411 13141 1 16 . 1 1 77 77 ASP H H 77 8.256 8.256 8.301 -0.045 18411 13142 1 16 . 1 1 78 78 GLU N N 78 114.796 114.796 122.610 -7.814 18411 13143 1 16 . 1 1 78 78 GLU HA H 78 5.060 5.060 4.713 0.347 18411 13144 1 16 . 1 1 78 78 GLU C C 78 174.225 174.225 174.722 -0.497 18411 13145 1 16 . 1 1 78 78 GLU CA C 78 54.220 54.220 54.396 -0.176 18411 13146 1 16 . 1 1 78 78 GLU CB C 78 32.842 32.842 29.958 2.884 18411 13147 1 16 . 1 1 78 78 GLU H H 78 8.010 8.010 8.951 -0.941 18411 13148 1 16 . 1 1 79 79 PRO HA H 79 4.579 4.579 4.481 0.098 18411 13149 1 16 . 1 1 79 79 PRO C C 79 177.508 177.508 177.754 -0.246 18411 13150 1 16 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.367 -0.300 18411 13151 1 16 . 1 1 79 79 PRO CB C 79 33.096 33.096 32.621 0.475 18411 13152 1 16 . 1 1 80 80 LEU N N 80 122.209 122.209 121.764 0.445 18411 13153 1 16 . 1 1 80 80 LEU HA H 80 3.927 3.927 4.057 -0.130 18411 13154 1 16 . 1 1 80 80 LEU C C 80 177.847 177.847 178.414 -0.567 18411 13155 1 16 . 1 1 80 80 LEU CA C 80 59.188 59.188 59.205 -0.017 18411 13156 1 16 . 1 1 80 80 LEU CB C 80 42.001 42.001 40.938 1.063 18411 13157 1 16 . 1 1 80 80 LEU H H 80 8.943 8.943 8.508 0.435 18411 13158 1 16 . 1 1 81 81 GLU N N 81 115.361 115.361 117.661 -2.300 18411 13159 1 16 . 1 1 81 81 GLU HA H 81 3.999 3.999 4.104 -0.105 18411 13160 1 16 . 1 1 81 81 GLU C C 81 180.044 180.044 178.883 1.161 18411 13161 1 16 . 1 1 81 81 GLU CA C 81 60.552 60.552 59.347 1.205 18411 13162 1 16 . 1 1 81 81 GLU CB C 81 28.723 28.723 28.304 0.419 18411 13163 1 16 . 1 1 81 81 GLU H H 81 9.534 9.534 9.002 0.532 18411 13164 1 16 . 1 1 82 82 LYS N N 82 118.582 118.582 120.505 -1.923 18411 13165 1 16 . 1 1 82 82 LYS HA H 82 4.183 4.183 4.115 0.068 18411 13166 1 16 . 1 1 82 82 LYS C C 82 179.226 179.226 178.991 0.235 18411 13167 1 16 . 1 1 82 82 LYS CA C 82 58.248 58.248 58.775 -0.527 18411 13168 1 16 . 1 1 82 82 LYS CB C 82 32.912 32.912 31.431 1.481 18411 13169 1 16 . 1 1 82 82 LYS H H 82 7.332 7.332 8.033 -0.701 18411 13170 1 16 . 1 1 83 83 VAL N N 83 122.971 122.971 120.723 2.248 18411 13171 1 16 . 1 1 83 83 VAL HA H 83 3.554 3.554 3.694 -0.140 18411 13172 1 16 . 1 1 83 83 VAL C C 83 178.331 178.331 178.366 -0.035 18411 13173 1 16 . 1 1 83 83 VAL CA C 83 67.063 67.063 66.410 0.653 18411 13174 1 16 . 1 1 83 83 VAL CB C 83 31.497 31.497 31.747 -0.250 18411 13175 1 16 . 1 1 83 83 VAL H H 83 7.743 7.743 7.895 -0.152 18411 13176 1 16 . 1 1 84 84 LEU N N 84 119.209 119.209 120.113 -0.904 18411 13177 1 16 . 1 1 84 84 LEU HA H 84 4.030 4.030 3.972 0.058 18411 13178 1 16 . 1 1 84 84 LEU C C 84 180.647 180.647 179.139 1.508 18411 13179 1 16 . 1 1 84 84 LEU CA C 84 57.975 57.975 57.895 0.079 18411 13180 1 16 . 1 1 84 84 LEU CB C 84 42.010 42.010 40.397 1.613 18411 13181 1 16 . 1 1 84 84 LEU H H 84 8.706 8.706 8.039 0.667 18411 13182 1 16 . 1 1 85 85 ALA N N 85 120.801 120.801 122.264 -1.463 18411 13183 1 16 . 1 1 85 85 ALA HA H 85 4.198 4.198 4.009 0.189 18411 13184 1 16 . 1 1 85 85 ALA C C 85 180.253 180.253 179.438 0.815 18411 13185 1 16 . 1 1 85 85 ALA CA C 85 54.947 54.947 55.210 -0.263 18411 13186 1 16 . 1 1 85 85 ALA CB C 85 17.973 17.973 18.321 -0.348 18411 13187 1 16 . 1 1 85 85 ALA H H 85 7.440 7.440 8.405 -0.965 18411 13188 1 16 . 1 1 86 86 PHE N N 86 123.035 123.035 119.788 3.247 18411 13189 1 16 . 1 1 86 86 PHE HA H 86 4.905 4.905 4.090 0.815 18411 13190 1 16 . 1 1 86 86 PHE C C 86 179.015 179.015 177.042 1.973 18411 13191 1 16 . 1 1 86 86 PHE CA C 86 56.648 56.648 61.115 -4.467 18411 13192 1 16 . 1 1 86 86 PHE CB C 86 39.249 39.249 39.117 0.132 18411 13193 1 16 . 1 1 86 86 PHE H H 86 8.040 8.040 8.238 -0.198 18411 13194 1 16 . 1 1 87 87 ALA N N 87 123.932 123.932 123.160 0.772 18411 13195 1 16 . 1 1 87 87 ALA HA H 87 3.480 3.480 3.948 -0.468 18411 13196 1 16 . 1 1 87 87 ALA C C 87 179.800 179.800 178.739 1.061 18411 13197 1 16 . 1 1 87 87 ALA CA C 87 55.183 55.183 54.537 0.646 18411 13198 1 16 . 1 1 87 87 ALA CB C 87 17.602 17.602 18.403 -0.801 18411 13199 1 16 . 1 1 87 87 ALA H H 87 8.453 8.453 8.428 0.025 18411 13200 1 16 . 1 1 88 88 LYS N N 88 116.535 116.535 117.100 -0.565 18411 13201 1 16 . 1 1 88 88 LYS HA H 88 4.030 4.030 3.952 0.078 18411 13202 1 16 . 1 1 88 88 LYS C C 88 179.562 179.562 178.035 1.527 18411 13203 1 16 . 1 1 88 88 LYS CA C 88 59.063 59.063 58.781 0.282 18411 13204 1 16 . 1 1 88 88 LYS CB C 88 32.466 32.466 32.377 0.089 18411 13205 1 16 . 1 1 88 88 LYS H H 88 7.664 7.664 8.217 -0.553 18411 13206 1 16 . 1 1 89 89 SER N N 89 113.619 113.619 112.660 0.959 18411 13207 1 16 . 1 1 89 89 SER HA H 89 4.271 4.271 4.509 -0.238 18411 13208 1 16 . 1 1 89 89 SER C C 89 177.004 177.004 174.595 2.409 18411 13209 1 16 . 1 1 89 89 SER CA C 89 61.139 61.139 59.607 1.532 18411 13210 1 16 . 1 1 89 89 SER CB C 89 63.327 63.327 63.630 -0.303 18411 13211 1 16 . 1 1 89 89 SER H H 89 8.417 8.417 7.604 0.813 18411 13212 1 16 . 1 1 90 90 THR N N 90 109.601 109.601 111.412 -1.811 18411 13213 1 16 . 1 1 90 90 THR HA H 90 4.287 4.287 4.421 -0.134 18411 13214 1 16 . 1 1 90 90 THR C C 90 176.074 176.074 175.155 0.919 18411 13215 1 16 . 1 1 90 90 THR CA C 90 62.926 62.926 60.497 2.429 18411 13216 1 16 . 1 1 90 90 THR CB C 90 70.563 70.563 69.202 1.361 18411 13217 1 16 . 1 1 90 90 THR H H 90 7.710 7.710 7.284 0.426 18411 13218 1 16 . 1 1 91 91 GLY N N 91 110.243 110.243 109.581 0.662 18411 13219 1 16 . 1 1 91 91 GLY C C 91 174.815 174.815 174.181 0.634 18411 13220 1 16 . 1 1 91 91 GLY CA C 91 46.042 46.042 45.172 0.870 18411 13221 1 16 . 1 1 91 91 GLY H H 91 7.609 7.609 7.620 -0.011 18411 13222 1 16 . 1 1 92 92 VAL N N 92 112.099 112.099 121.596 -9.497 18411 13223 1 16 . 1 1 92 92 VAL HA H 92 4.309 4.309 3.591 0.718 18411 13224 1 16 . 1 1 92 92 VAL C C 92 178.372 178.372 175.274 3.098 18411 13225 1 16 . 1 1 92 92 VAL CA C 92 60.696 60.696 63.395 -2.700 18411 13226 1 16 . 1 1 92 92 VAL CB C 92 32.337 32.337 31.273 1.064 18411 13227 1 16 . 1 1 92 92 VAL H H 92 7.046 7.046 7.366 -0.320 18411 13228 1 16 . 1 1 93 93 THR N N 93 114.289 114.289 118.777 -4.488 18411 13229 1 16 . 1 1 93 93 THR HA H 93 4.457 4.457 4.319 0.138 18411 13230 1 16 . 1 1 93 93 THR C C 93 175.115 175.115 174.791 0.324 18411 13231 1 16 . 1 1 93 93 THR CA C 93 61.280 61.280 61.466 -0.186 18411 13232 1 16 . 1 1 93 93 THR CB C 93 70.314 70.314 70.547 -0.233 18411 13233 1 16 . 1 1 93 93 THR H H 93 10.844 10.844 9.238 1.606 18411 13234 1 16 . 1 1 94 94 TYR N N 94 122.050 122.050 123.306 -1.256 18411 13235 1 16 . 1 1 94 94 TYR HA H 94 3.740 3.740 3.837 -0.097 18411 13236 1 16 . 1 1 94 94 TYR C C 94 171.563 171.563 173.419 -1.856 18411 13237 1 16 . 1 1 94 94 TYR CA C 94 53.080 53.080 54.039 -0.959 18411 13238 1 16 . 1 1 94 94 TYR CB C 94 34.195 34.195 35.992 -1.797 18411 13239 1 16 . 1 1 94 94 TYR H H 94 6.391 6.391 7.506 -1.115 18411 13240 1 16 . 1 1 95 95 PRO HA H 95 4.105 4.105 4.341 -0.236 18411 13241 1 16 . 1 1 95 95 PRO C C 95 175.152 175.152 175.771 -0.619 18411 13242 1 16 . 1 1 95 95 PRO CA C 95 63.799 63.799 62.976 0.823 18411 13243 1 16 . 1 1 95 95 PRO CB C 95 32.919 32.919 32.370 0.549 18411 13244 1 16 . 1 1 96 96 LEU N N 96 122.325 122.325 124.719 -2.394 18411 13245 1 16 . 1 1 96 96 LEU HA H 96 5.143 5.143 5.146 -0.003 18411 13246 1 16 . 1 1 96 96 LEU C C 96 176.072 176.072 176.865 -0.793 18411 13247 1 16 . 1 1 96 96 LEU CA C 96 52.794 52.794 53.697 -0.903 18411 13248 1 16 . 1 1 96 96 LEU CB C 96 45.567 45.567 44.744 0.823 18411 13249 1 16 . 1 1 96 96 LEU H H 96 8.256 8.256 8.285 -0.029 18411 13250 1 16 . 1 1 97 97 GLY N N 97 107.295 107.295 107.597 -0.302 18411 13251 1 16 . 1 1 97 97 GLY C C 97 171.546 171.546 172.177 -0.631 18411 13252 1 16 . 1 1 97 97 GLY CA C 97 44.069 44.069 43.609 0.460 18411 13253 1 16 . 1 1 97 97 GLY H H 97 9.177 9.177 9.022 0.155 18411 13254 1 16 . 1 1 98 98 LEU N N 98 118.550 118.550 117.451 1.099 18411 13255 1 16 . 1 1 98 98 LEU HA H 98 4.872 4.872 4.931 -0.059 18411 13256 1 16 . 1 1 98 98 LEU C C 98 176.132 176.132 175.174 0.958 18411 13257 1 16 . 1 1 98 98 LEU CA C 98 54.460 54.460 53.702 0.758 18411 13258 1 16 . 1 1 98 98 LEU CB C 98 43.567 43.567 43.610 -0.043 18411 13259 1 16 . 1 1 98 98 LEU H H 98 8.106 8.106 8.407 -0.301 18411 13260 1 16 . 1 1 99 99 ASP N N 99 118.061 118.061 123.733 -5.672 18411 13261 1 16 . 1 1 99 99 ASP HA H 99 5.403 5.403 5.220 0.183 18411 13262 1 16 . 1 1 99 99 ASP C C 99 175.069 175.069 174.326 0.743 18411 13263 1 16 . 1 1 99 99 ASP CA C 99 51.057 51.057 51.719 -0.662 18411 13264 1 16 . 1 1 99 99 ASP CB C 99 42.069 42.069 42.635 -0.566 18411 13265 1 16 . 1 1 99 99 ASP H H 99 8.481 8.481 8.405 0.076 18411 13266 1 16 . 1 1 100 100 PRO HA H 100 4.564 4.564 4.327 0.237 18411 13267 1 16 . 1 1 100 100 PRO C C 100 179.600 179.600 176.988 2.612 18411 13268 1 16 . 1 1 100 100 PRO CA C 100 64.020 64.020 63.936 0.084 18411 13269 1 16 . 1 1 100 100 PRO CB C 100 31.455 31.455 31.258 0.197 18411 13270 1 16 . 1 1 101 101 GLY N N 101 114.780 114.780 110.249 4.531 18411 13271 1 16 . 1 1 101 101 GLY C C 101 173.600 173.600 174.162 -0.562 18411 13272 1 16 . 1 1 101 101 GLY CA C 101 46.175 46.175 45.130 1.045 18411 13273 1 16 . 1 1 101 101 GLY H H 101 9.045 9.045 7.991 1.054 18411 13274 1 16 . 1 1 102 102 ALA N N 102 117.089 117.089 122.012 -4.923 18411 13275 1 16 . 1 1 102 102 ALA HA H 102 4.376 4.376 4.005 0.371 18411 13276 1 16 . 1 1 102 102 ALA C C 102 175.955 175.955 177.261 -1.306 18411 13277 1 16 . 1 1 102 102 ALA CA C 102 52.693 52.693 53.173 -0.480 18411 13278 1 16 . 1 1 102 102 ALA CB C 102 18.256 18.256 17.097 1.159 18411 13279 1 16 . 1 1 102 102 ALA H H 102 8.257 8.257 8.397 -0.140 18411 13280 1 16 . 1 1 103 103 ASP N N 103 118.691 118.691 118.099 0.592 18411 13281 1 16 . 1 1 103 103 ASP HA H 103 4.444 4.444 4.400 0.044 18411 13282 1 16 . 1 1 103 103 ASP C C 103 179.021 179.021 177.724 1.297 18411 13283 1 16 . 1 1 103 103 ASP CA C 103 57.935 57.935 57.581 0.354 18411 13284 1 16 . 1 1 103 103 ASP CB C 103 41.368 41.368 41.080 0.288 18411 13285 1 16 . 1 1 103 103 ASP H H 103 6.739 6.739 8.624 -1.885 18411 13286 1 16 . 1 1 104 104 ILE N N 104 126.075 126.075 117.211 8.864 18411 13287 1 16 . 1 1 104 104 ILE HA H 104 3.682 3.682 4.001 -0.319 18411 13288 1 16 . 1 1 104 104 ILE C C 104 179.321 179.321 177.592 1.729 18411 13289 1 16 . 1 1 104 104 ILE CA C 104 66.522 66.522 63.760 2.762 18411 13290 1 16 . 1 1 104 104 ILE CB C 104 36.754 36.754 37.043 -0.289 18411 13291 1 16 . 1 1 104 104 ILE H H 104 11.476 11.476 8.335 3.141 18411 13292 1 16 . 1 1 105 105 PHE N N 105 124.513 124.513 119.625 4.888 18411 13293 1 16 . 1 1 105 105 PHE HA H 105 3.646 3.646 3.626 0.020 18411 13294 1 16 . 1 1 105 105 PHE C C 105 177.818 177.818 176.041 1.777 18411 13295 1 16 . 1 1 105 105 PHE CA C 105 62.948 62.948 60.489 2.459 18411 13296 1 16 . 1 1 105 105 PHE CB C 105 38.350 38.350 38.882 -0.532 18411 13297 1 16 . 1 1 105 105 PHE H H 105 9.473 9.473 7.950 1.523 18411 13298 1 16 . 1 1 106 106 ALA N N 106 115.835 115.835 121.186 -5.351 18411 13299 1 16 . 1 1 106 106 ALA HA H 106 4.927 4.927 4.403 0.524 18411 13300 1 16 . 1 1 106 106 ALA C C 106 179.271 179.271 178.549 0.722 18411 13301 1 16 . 1 1 106 106 ALA CA C 106 52.672 52.672 54.186 -1.514 18411 13302 1 16 . 1 1 106 106 ALA CB C 106 19.093 19.093 18.598 0.495 18411 13303 1 16 . 1 1 106 106 ALA H H 106 8.418 8.418 7.997 0.421 18411 13304 1 16 . 1 1 107 107 LYS N N 107 116.823 116.823 116.175 0.648 18411 13305 1 16 . 1 1 107 107 LYS HA H 107 4.145 4.145 4.087 0.058 18411 13306 1 16 . 1 1 107 107 LYS C C 107 176.006 176.006 176.807 -0.801 18411 13307 1 16 . 1 1 107 107 LYS CA C 107 57.980 57.980 58.165 -0.185 18411 13308 1 16 . 1 1 107 107 LYS CB C 107 33.041 33.041 32.241 0.800 18411 13309 1 16 . 1 1 107 107 LYS H H 107 8.106 8.106 7.798 0.308 18411 13310 1 16 . 1 1 108 108 TYR N N 108 114.793 114.793 118.933 -4.140 18411 13311 1 16 . 1 1 108 108 TYR HA H 108 4.311 4.311 4.513 -0.202 18411 13312 1 16 . 1 1 108 108 TYR C C 108 176.010 176.010 174.606 1.404 18411 13313 1 16 . 1 1 108 108 TYR CA C 108 59.270 59.270 58.999 0.271 18411 13314 1 16 . 1 1 108 108 TYR CB C 108 40.965 40.965 41.112 -0.147 18411 13315 1 16 . 1 1 108 108 TYR H H 108 7.811 7.811 7.570 0.241 18411 13316 1 16 . 1 1 109 109 ALA N N 109 125.709 125.709 118.346 7.363 18411 13317 1 16 . 1 1 109 109 ALA HA H 109 4.760 4.760 4.642 0.118 18411 13318 1 16 . 1 1 109 109 ALA C C 109 174.711 174.711 174.707 0.004 18411 13319 1 16 . 1 1 109 109 ALA CA C 109 50.276 50.276 49.688 0.588 18411 13320 1 16 . 1 1 109 109 ALA CB C 109 21.924 21.924 21.548 0.376 18411 13321 1 16 . 1 1 109 109 ALA H H 109 8.595 8.595 7.873 0.722 18411 13322 1 16 . 1 1 110 110 LEU N N 110 117.834 117.834 121.135 -3.301 18411 13323 1 16 . 1 1 110 110 LEU HA H 110 4.137 4.137 4.099 0.038 18411 13324 1 16 . 1 1 110 110 LEU C C 110 179.153 179.153 178.584 0.569 18411 13325 1 16 . 1 1 110 110 LEU CA C 110 55.164 55.164 55.246 -0.082 18411 13326 1 16 . 1 1 110 110 LEU CB C 110 42.292 42.292 42.336 -0.044 18411 13327 1 16 . 1 1 110 110 LEU H H 110 7.814 7.814 8.709 -0.895 18411 13328 1 16 . 1 1 111 111 ARG N N 111 119.787 119.787 122.088 -2.301 18411 13329 1 16 . 1 1 111 111 ARG HA H 111 3.916 3.916 4.384 -0.468 18411 13330 1 16 . 1 1 111 111 ARG C C 111 176.962 176.962 177.747 -0.785 18411 13331 1 16 . 1 1 111 111 ARG CA C 111 60.538 60.538 59.544 0.994 18411 13332 1 16 . 1 1 111 111 ARG CB C 111 30.424 30.424 30.230 0.194 18411 13333 1 16 . 1 1 111 111 ARG H H 111 8.655 8.655 8.964 -0.309 18411 13334 1 16 . 1 1 112 112 ASP N N 112 113.338 113.338 117.066 -3.728 18411 13335 1 16 . 1 1 112 112 ASP HA H 112 4.662 4.662 4.573 0.089 18411 13336 1 16 . 1 1 112 112 ASP C C 112 176.387 176.387 176.292 0.095 18411 13337 1 16 . 1 1 112 112 ASP CA C 112 52.833 52.833 55.061 -2.228 18411 13338 1 16 . 1 1 112 112 ASP CB C 112 40.135 40.135 39.763 0.372 18411 13339 1 16 . 1 1 112 112 ASP H H 112 8.205 8.205 8.472 -0.267 18411 13340 1 16 . 1 1 113 113 ALA N N 113 122.885 122.885 121.333 1.552 18411 13341 1 16 . 1 1 113 113 ALA HA H 113 4.347 4.347 4.360 -0.013 18411 13342 1 16 . 1 1 113 113 ALA C C 113 177.740 177.740 177.276 0.464 18411 13343 1 16 . 1 1 113 113 ALA CA C 113 51.983 51.983 52.705 -0.722 18411 13344 1 16 . 1 1 113 113 ALA CB C 113 20.558 20.558 19.517 1.040 18411 13345 1 16 . 1 1 113 113 ALA H H 113 7.919 7.919 7.742 0.177 18411 13346 1 16 . 1 1 114 114 GLY CA C 114 45.480 45.480 44.788 0.692 18411 13347 1 16 . 1 1 115 115 ILE N N 115 122.165 122.165 122.179 -0.014 18411 13348 1 16 . 1 1 115 115 ILE HA H 115 4.119 4.119 4.185 -0.066 18411 13349 1 16 . 1 1 115 115 ILE CA C 115 60.788 60.788 59.641 1.147 18411 13350 1 16 . 1 1 115 115 ILE CB C 115 39.651 39.651 41.228 -1.577 18411 13351 1 16 . 1 1 115 115 ILE H H 115 8.253 8.253 8.216 0.037 18411 13352 1 16 . 1 1 116 116 THR N N 116 110.198 110.198 118.037 -7.839 18411 13353 1 16 . 1 1 116 116 THR HA H 116 4.101 4.101 4.137 -0.036 18411 13354 1 16 . 1 1 116 116 THR CA C 116 62.947 62.947 63.689 -0.742 18411 13355 1 16 . 1 1 116 116 THR CB C 116 69.031 69.031 66.913 2.118 18411 13356 1 16 . 1 1 116 116 THR H H 116 7.033 7.033 8.208 -1.175 18411 13357 1 16 . 1 1 117 117 ARG N N 117 130.624 130.624 122.999 7.625 18411 13358 1 16 . 1 1 117 117 ARG HA H 117 4.997 4.997 5.288 -0.291 18411 13359 1 16 . 1 1 117 117 ARG C C 117 173.296 173.296 174.591 -1.295 18411 13360 1 16 . 1 1 117 117 ARG CA C 117 56.468 56.468 53.981 2.487 18411 13361 1 16 . 1 1 117 117 ARG CB C 117 31.949 31.949 33.983 -2.034 18411 13362 1 16 . 1 1 117 117 ARG H H 117 8.250 8.250 7.986 0.264 18411 13363 1 16 . 1 1 118 118 ASN N N 118 118.226 118.226 122.562 -4.336 18411 13364 1 16 . 1 1 118 118 ASN HA H 118 6.127 6.127 5.527 0.600 18411 13365 1 16 . 1 1 118 118 ASN C C 118 173.805 173.805 173.563 0.242 18411 13366 1 16 . 1 1 118 118 ASN CA C 118 51.759 51.759 52.498 -0.739 18411 13367 1 16 . 1 1 118 118 ASN CB C 118 41.892 41.892 41.379 0.513 18411 13368 1 16 . 1 1 118 118 ASN H H 118 7.730 7.730 9.134 -1.404 18411 13369 1 16 . 1 1 119 119 VAL N N 119 120.477 120.477 125.259 -4.782 18411 13370 1 16 . 1 1 119 119 VAL HA H 119 4.766 4.766 4.779 -0.013 18411 13371 1 16 . 1 1 119 119 VAL C C 119 173.809 173.809 173.828 -0.019 18411 13372 1 16 . 1 1 119 119 VAL CA C 119 60.808 60.808 61.402 -0.594 18411 13373 1 16 . 1 1 119 119 VAL CB C 119 35.887 35.887 34.412 1.475 18411 13374 1 16 . 1 1 119 119 VAL H H 119 9.269 9.269 9.133 0.136 18411 13375 1 16 . 1 1 120 120 LEU N N 120 128.017 128.017 129.070 -1.053 18411 13376 1 16 . 1 1 120 120 LEU HA H 120 5.350 5.350 5.126 0.224 18411 13377 1 16 . 1 1 120 120 LEU C C 120 174.606 174.606 174.638 -0.032 18411 13378 1 16 . 1 1 120 120 LEU CA C 120 53.563 53.563 53.543 0.020 18411 13379 1 16 . 1 1 120 120 LEU CB C 120 46.211 46.211 45.580 0.631 18411 13380 1 16 . 1 1 120 120 LEU H H 120 8.829 8.829 9.194 -0.365 18411 13381 1 16 . 1 1 121 121 ILE N N 121 131.629 131.629 127.040 4.589 18411 13382 1 16 . 1 1 121 121 ILE HA H 121 4.799 4.799 5.186 -0.387 18411 13383 1 16 . 1 1 121 121 ILE C C 121 174.731 174.731 175.811 -1.080 18411 13384 1 16 . 1 1 121 121 ILE CA C 121 60.450 60.450 60.023 0.427 18411 13385 1 16 . 1 1 121 121 ILE CB C 121 41.651 41.651 39.638 2.013 18411 13386 1 16 . 1 1 121 121 ILE H H 121 9.659 9.659 9.247 0.412 18411 13387 1 16 . 1 1 122 122 ASP N N 122 124.197 124.197 127.249 -3.052 18411 13388 1 16 . 1 1 122 122 ASP HA H 122 4.513 4.513 4.845 -0.332 18411 13389 1 16 . 1 1 122 122 ASP C C 122 177.586 177.586 176.127 1.459 18411 13390 1 16 . 1 1 122 122 ASP CA C 122 52.442 52.442 52.819 -0.377 18411 13391 1 16 . 1 1 122 122 ASP CB C 122 41.476 41.476 43.041 -1.565 18411 13392 1 16 . 1 1 122 122 ASP H H 122 9.128 9.128 8.769 0.359 18411 13393 1 16 . 1 1 123 123 ARG N N 123 113.396 113.396 118.605 -5.209 18411 13394 1 16 . 1 1 123 123 ARG HA H 123 4.186 4.186 4.043 0.143 18411 13395 1 16 . 1 1 123 123 ARG C C 123 178.717 178.717 177.823 0.894 18411 13396 1 16 . 1 1 123 123 ARG CA C 123 58.243 58.243 58.967 -0.724 18411 13397 1 16 . 1 1 123 123 ARG CB C 123 30.783 30.783 30.395 0.388 18411 13398 1 16 . 1 1 123 123 ARG H H 123 7.870 7.870 8.781 -0.911 18411 13399 1 16 . 1 1 124 124 GLU N N 124 117.427 117.427 117.398 0.029 18411 13400 1 16 . 1 1 124 124 GLU HA H 124 4.310 4.310 4.206 0.104 18411 13401 1 16 . 1 1 124 124 GLU C C 124 176.034 176.034 177.145 -1.111 18411 13402 1 16 . 1 1 124 124 GLU CA C 124 56.164 56.164 57.278 -1.114 18411 13403 1 16 . 1 1 124 124 GLU CB C 124 30.541 30.541 30.205 0.336 18411 13404 1 16 . 1 1 124 124 GLU H H 124 8.155 8.155 8.886 -0.731 18411 13405 1 16 . 1 1 125 125 GLY N N 125 105.681 105.681 106.490 -0.809 18411 13406 1 16 . 1 1 125 125 GLY C C 125 174.204 174.204 173.751 0.453 18411 13407 1 16 . 1 1 125 125 GLY CA C 125 45.160 45.160 44.755 0.405 18411 13408 1 16 . 1 1 125 125 GLY H H 125 8.094 8.094 7.836 0.258 18411 13409 1 16 . 1 1 126 126 LYS N N 126 122.326 122.326 120.457 1.869 18411 13410 1 16 . 1 1 126 126 LYS HA H 126 4.647 4.647 4.927 -0.280 18411 13411 1 16 . 1 1 126 126 LYS C C 126 176.390 176.390 175.579 0.811 18411 13412 1 16 . 1 1 126 126 LYS CA C 126 55.393 55.393 54.886 0.506 18411 13413 1 16 . 1 1 126 126 LYS CB C 126 33.569 33.569 34.970 -1.401 18411 13414 1 16 . 1 1 126 126 LYS H H 126 8.502 8.502 8.832 -0.330 18411 13415 1 16 . 1 1 127 127 ILE N N 127 121.946 121.946 122.265 -0.319 18411 13416 1 16 . 1 1 127 127 ILE HA H 127 4.048 4.048 4.685 -0.637 18411 13417 1 16 . 1 1 127 127 ILE C C 127 177.735 177.735 176.098 1.637 18411 13418 1 16 . 1 1 127 127 ILE CA C 127 63.200 63.200 61.686 1.514 18411 13419 1 16 . 1 1 127 127 ILE CB C 127 38.106 38.106 37.898 0.208 18411 13420 1 16 . 1 1 127 127 ILE H H 127 8.739 8.739 9.089 -0.350 18411 13421 1 16 . 1 1 128 128 VAL N N 128 122.026 122.026 124.537 -2.511 18411 13422 1 16 . 1 1 128 128 VAL HA H 128 4.695 4.695 4.332 0.363 18411 13423 1 16 . 1 1 128 128 VAL C C 128 175.968 175.968 175.374 0.594 18411 13424 1 16 . 1 1 128 128 VAL CA C 128 61.535 61.535 61.196 0.339 18411 13425 1 16 . 1 1 128 128 VAL CB C 128 33.996 33.996 32.543 1.453 18411 13426 1 16 . 1 1 128 128 VAL H H 128 9.397 9.397 8.535 0.862 18411 13427 1 16 . 1 1 129 129 LYS N N 129 121.635 121.635 120.839 0.796 18411 13428 1 16 . 1 1 129 129 LYS HA H 129 4.359 4.359 4.526 -0.167 18411 13429 1 16 . 1 1 129 129 LYS C C 129 172.896 172.896 173.764 -0.868 18411 13430 1 16 . 1 1 129 129 LYS CA C 129 57.322 57.322 56.269 1.053 18411 13431 1 16 . 1 1 129 129 LYS CB C 129 36.802 36.802 35.081 1.721 18411 13432 1 16 . 1 1 129 129 LYS H H 129 7.708 7.708 7.492 0.216 18411 13433 1 16 . 1 1 130 130 LEU N N 130 126.219 126.219 124.605 1.614 18411 13434 1 16 . 1 1 130 130 LEU HA H 130 5.140 5.140 5.747 -0.607 18411 13435 1 16 . 1 1 130 130 LEU C C 130 176.956 176.956 175.149 1.807 18411 13436 1 16 . 1 1 130 130 LEU CA C 130 53.572 53.572 53.193 0.379 18411 13437 1 16 . 1 1 130 130 LEU CB C 130 44.700 44.700 43.870 0.830 18411 13438 1 16 . 1 1 130 130 LEU H H 130 8.301 8.301 8.260 0.041 18411 13439 1 16 . 1 1 131 131 THR N N 131 113.484 113.484 116.557 -3.073 18411 13440 1 16 . 1 1 131 131 THR HA H 131 5.136 5.136 4.587 0.549 18411 13441 1 16 . 1 1 131 131 THR C C 131 175.492 175.492 173.603 1.889 18411 13442 1 16 . 1 1 131 131 THR CA C 131 61.033 61.033 60.067 0.966 18411 13443 1 16 . 1 1 131 131 THR CB C 131 70.922 70.922 71.017 -0.096 18411 13444 1 16 . 1 1 131 131 THR H H 131 9.298 9.298 8.526 0.772 18411 13445 1 16 . 1 1 132 132 ARG HA H 132 5.150 5.150 4.978 0.172 18411 13446 1 16 . 1 1 132 132 ARG CA C 132 55.585 55.585 53.792 1.792 18411 13447 1 16 . 1 1 132 132 ARG CB C 132 33.035 33.035 30.788 2.247 18411 13448 1 16 . 1 1 133 133 LEU N N 133 118.967 118.967 122.656 -3.689 18411 13449 1 16 . 1 1 133 133 LEU HA H 133 4.302 4.302 3.980 0.322 18411 13450 1 16 . 1 1 133 133 LEU CA C 133 56.200 56.200 55.823 0.377 18411 13451 1 16 . 1 1 133 133 LEU CB C 133 41.616 41.616 39.556 2.060 18411 13452 1 16 . 1 1 133 133 LEU H H 133 8.167 8.167 8.981 -0.814 18411 13453 1 16 . 1 1 134 134 TYR N N 134 124.816 124.816 117.305 7.511 18411 13454 1 16 . 1 1 134 134 TYR HA H 134 4.963 4.963 3.848 1.115 18411 13455 1 16 . 1 1 134 134 TYR CA C 134 57.154 57.154 61.024 -3.870 18411 13456 1 16 . 1 1 134 134 TYR CB C 134 38.948 38.948 37.392 1.556 18411 13457 1 16 . 1 1 134 134 TYR H H 134 7.805 7.805 8.712 -0.907 18411 13458 1 16 . 1 1 135 135 ASN HA H 135 4.415 4.415 4.351 0.064 18411 13459 1 16 . 1 1 135 135 ASN CA C 135 51.995 51.995 53.269 -1.274 18411 13460 1 16 . 1 1 135 135 ASN CB C 135 40.521 40.521 38.791 1.730 18411 13461 1 16 . 1 1 136 136 GLU HA H 136 3.694 3.694 3.676 0.018 18411 13462 1 16 . 1 1 136 136 GLU C C 136 178.797 178.797 178.148 0.649 18411 13463 1 16 . 1 1 136 136 GLU CA C 136 61.052 61.052 59.946 1.106 18411 13464 1 16 . 1 1 136 136 GLU CB C 136 29.353 29.353 29.269 0.084 18411 13465 1 16 . 1 1 137 137 GLU N N 137 120.717 120.717 117.846 2.871 18411 13466 1 16 . 1 1 137 137 GLU HA H 137 4.176 4.176 4.073 0.103 18411 13467 1 16 . 1 1 137 137 GLU C C 137 179.707 179.707 178.857 0.850 18411 13468 1 16 . 1 1 137 137 GLU CA C 137 59.800 59.800 59.375 0.425 18411 13469 1 16 . 1 1 137 137 GLU CB C 137 29.284 29.284 28.442 0.842 18411 13470 1 16 . 1 1 137 137 GLU H H 137 8.364 8.364 8.652 -0.288 18411 13471 1 16 . 1 1 138 138 GLU N N 138 122.448 122.448 121.532 0.916 18411 13472 1 16 . 1 1 138 138 GLU HA H 138 4.190 4.190 4.090 0.100 18411 13473 1 16 . 1 1 138 138 GLU C C 138 179.927 179.927 178.279 1.648 18411 13474 1 16 . 1 1 138 138 GLU CA C 138 59.129 59.129 58.897 0.232 18411 13475 1 16 . 1 1 138 138 GLU CB C 138 30.064 30.064 29.325 0.739 18411 13476 1 16 . 1 1 138 138 GLU H H 138 8.448 8.448 8.274 0.174 18411 13477 1 16 . 1 1 139 139 PHE N N 139 122.454 122.454 119.685 2.769 18411 13478 1 16 . 1 1 139 139 PHE HA H 139 4.171 4.171 4.137 0.034 18411 13479 1 16 . 1 1 139 139 PHE C C 139 177.370 177.370 176.580 0.790 18411 13480 1 16 . 1 1 139 139 PHE CA C 139 62.690 62.690 61.110 1.580 18411 13481 1 16 . 1 1 139 139 PHE CB C 139 39.579 39.579 38.853 0.726 18411 13482 1 16 . 1 1 139 139 PHE H H 139 8.895 8.895 8.320 0.575 18411 13483 1 16 . 1 1 140 140 ALA N N 140 120.155 120.155 121.660 -1.505 18411 13484 1 16 . 1 1 140 140 ALA HA H 140 4.100 4.100 3.903 0.197 18411 13485 1 16 . 1 1 140 140 ALA C C 140 181.270 181.270 179.462 1.808 18411 13486 1 16 . 1 1 140 140 ALA CA C 140 55.203 55.203 55.475 -0.272 18411 13487 1 16 . 1 1 140 140 ALA CB C 140 17.716 17.716 18.096 -0.380 18411 13488 1 16 . 1 1 140 140 ALA H H 140 8.240 8.240 7.817 0.423 18411 13489 1 16 . 1 1 141 141 SER N N 141 114.095 114.095 114.277 -0.182 18411 13490 1 16 . 1 1 141 141 SER HA H 141 4.267 4.267 4.120 0.147 18411 13491 1 16 . 1 1 141 141 SER C C 141 176.895 176.895 176.742 0.153 18411 13492 1 16 . 1 1 141 141 SER CA C 141 61.291 61.291 61.625 -0.334 18411 13493 1 16 . 1 1 141 141 SER CB C 141 62.690 62.690 62.839 -0.149 18411 13494 1 16 . 1 1 141 141 SER H H 141 7.835 7.835 8.438 -0.603 18411 13495 1 16 . 1 1 142 142 LEU N N 142 126.764 126.764 123.673 3.091 18411 13496 1 16 . 1 1 142 142 LEU HA H 142 3.908 3.908 4.021 -0.113 18411 13497 1 16 . 1 1 142 142 LEU C C 142 176.876 176.876 178.492 -1.616 18411 13498 1 16 . 1 1 142 142 LEU CA C 142 58.757 58.757 57.493 1.264 18411 13499 1 16 . 1 1 142 142 LEU CB C 142 41.653 41.653 41.835 -0.182 18411 13500 1 16 . 1 1 142 142 LEU H H 142 7.833 7.833 7.492 0.341 18411 13501 1 16 . 1 1 143 143 VAL N N 143 119.066 119.066 118.909 0.157 18411 13502 1 16 . 1 1 143 143 VAL HA H 143 3.174 3.174 3.367 -0.193 18411 13503 1 16 . 1 1 143 143 VAL C C 143 178.479 178.479 177.799 0.680 18411 13504 1 16 . 1 1 143 143 VAL CA C 143 66.864 66.864 66.970 -0.106 18411 13505 1 16 . 1 1 143 143 VAL CB C 143 32.350 32.350 31.418 0.932 18411 13506 1 16 . 1 1 143 143 VAL H H 143 8.010 8.010 8.170 -0.160 18411 13507 1 16 . 1 1 144 144 GLN N N 144 118.170 118.170 118.215 -0.045 18411 13508 1 16 . 1 1 144 144 GLN HA H 144 4.028 4.028 3.946 0.082 18411 13509 1 16 . 1 1 144 144 GLN C C 144 178.335 178.335 177.970 0.365 18411 13510 1 16 . 1 1 144 144 GLN CA C 144 59.591 59.591 58.656 0.935 18411 13511 1 16 . 1 1 144 144 GLN CB C 144 32.906 32.906 28.148 4.758 18411 13512 1 16 . 1 1 144 144 GLN H H 144 7.935 7.935 7.738 0.197 18411 13513 1 16 . 1 1 145 145 GLN N N 145 119.839 119.839 119.673 0.166 18411 13514 1 16 . 1 1 145 145 GLN HA H 145 4.029 4.029 4.038 -0.009 18411 13515 1 16 . 1 1 145 145 GLN C C 145 178.686 178.686 178.405 0.281 18411 13516 1 16 . 1 1 145 145 GLN CA C 145 59.270 59.270 58.869 0.401 18411 13517 1 16 . 1 1 145 145 GLN CB C 145 27.587 27.587 28.511 -0.924 18411 13518 1 16 . 1 1 145 145 GLN H H 145 7.986 7.986 7.792 0.194 18411 13519 1 16 . 1 1 146 146 ILE N N 146 119.900 119.900 120.665 -0.765 18411 13520 1 16 . 1 1 146 146 ILE HA H 146 3.345 3.345 3.604 -0.259 18411 13521 1 16 . 1 1 146 146 ILE C C 146 177.393 177.393 178.110 -0.717 18411 13522 1 16 . 1 1 146 146 ILE CA C 146 66.902 66.902 64.541 2.361 18411 13523 1 16 . 1 1 146 146 ILE CB C 146 38.281 38.281 36.798 1.483 18411 13524 1 16 . 1 1 146 146 ILE H H 146 8.171 8.171 8.431 -0.260 18411 13525 1 16 . 1 1 147 147 ASN N N 147 116.163 116.163 117.809 -1.646 18411 13526 1 16 . 1 1 147 147 ASN HA H 147 4.196 4.196 4.408 -0.212 18411 13527 1 16 . 1 1 147 147 ASN C C 147 179.035 179.035 178.152 0.883 18411 13528 1 16 . 1 1 147 147 ASN CA C 147 56.348 56.348 55.989 0.359 18411 13529 1 16 . 1 1 147 147 ASN CB C 147 38.062 38.062 37.897 0.165 18411 13530 1 16 . 1 1 147 147 ASN H H 147 7.896 7.896 7.950 -0.054 18411 13531 1 16 . 1 1 148 148 GLU N N 148 118.645 118.645 120.515 -1.870 18411 13532 1 16 . 1 1 148 148 GLU HA H 148 3.970 3.970 4.113 -0.143 18411 13533 1 16 . 1 1 148 148 GLU C C 148 179.964 179.964 178.812 1.152 18411 13534 1 16 . 1 1 148 148 GLU CA C 148 59.340 59.340 58.881 0.459 18411 13535 1 16 . 1 1 148 148 GLU CB C 148 29.572 29.572 29.368 0.204 18411 13536 1 16 . 1 1 148 148 GLU H H 148 8.311 8.311 7.824 0.487 18411 13537 1 16 . 1 1 149 149 MET N N 149 119.218 119.218 117.482 1.736 18411 13538 1 16 . 1 1 149 149 MET HA H 149 4.140 4.140 4.194 -0.054 18411 13539 1 16 . 1 1 149 149 MET C C 149 179.419 179.419 178.214 1.205 18411 13540 1 16 . 1 1 149 149 MET CA C 149 59.040 59.040 57.839 1.201 18411 13541 1 16 . 1 1 149 149 MET CB C 149 35.293 35.293 32.148 3.145 18411 13542 1 16 . 1 1 149 149 MET H H 149 8.527 8.527 7.991 0.536 18411 13543 1 16 . 1 1 150 150 LEU N N 150 118.078 118.078 113.570 4.508 18411 13544 1 16 . 1 1 150 150 LEU HA H 150 4.245 4.245 4.326 -0.081 18411 13545 1 16 . 1 1 150 150 LEU C C 150 178.141 178.141 178.012 0.129 18411 13546 1 16 . 1 1 150 150 LEU CA C 150 55.824 55.824 55.574 0.250 18411 13547 1 16 . 1 1 150 150 LEU CB C 150 41.533 41.533 41.448 0.085 18411 13548 1 16 . 1 1 150 150 LEU H H 150 7.917 7.917 7.511 0.406 18411 13549 1 16 . 1 1 151 151 LYS N N 151 120.096 120.096 118.917 1.179 18411 13550 1 16 . 1 1 151 151 LYS HA H 151 4.181 4.181 4.330 -0.149 18411 13551 1 16 . 1 1 151 151 LYS C C 151 177.029 177.029 177.598 -0.569 18411 13552 1 16 . 1 1 151 151 LYS CA C 151 57.490 57.490 56.813 0.677 18411 13553 1 16 . 1 1 151 151 LYS CB C 151 32.921 32.921 33.312 -0.391 18411 13554 1 16 . 1 1 151 151 LYS H H 151 7.466 7.466 7.641 -0.175 18411 13555 1 16 . 1 1 152 152 GLU N N 152 120.188 120.188 122.076 -1.888 18411 13556 1 16 . 1 1 152 152 GLU HA H 152 4.264 4.264 3.703 0.561 18411 13557 1 16 . 1 1 152 152 GLU C C 152 177.259 177.259 177.143 0.116 18411 13558 1 16 . 1 1 152 152 GLU CA C 152 57.070 57.070 59.571 -2.501 18411 13559 1 16 . 1 1 152 152 GLU CB C 152 30.385 30.385 29.366 1.019 18411 13560 1 16 . 1 1 152 152 GLU H H 152 7.820 7.820 8.048 -0.228 18411 13561 1 16 . 1 1 153 153 GLY N N 153 109.046 109.046 106.566 2.480 18411 13562 1 16 . 1 1 153 153 GLY C C 153 174.204 174.204 174.988 -0.784 18411 13563 1 16 . 1 1 153 153 GLY CA C 153 45.327 45.327 45.727 -0.400 18411 13564 1 16 . 1 1 153 153 GLY H H 153 8.278 8.278 8.439 -0.161 18411 13565 1 16 . 1 1 158 158 HIS HA H 158 4.606 4.606 4.527 0.079 18411 13566 1 16 . 1 1 158 158 HIS C C 158 174.423 174.423 174.462 -0.039 18411 13567 1 16 . 1 1 158 158 HIS CA C 158 56.235 56.235 55.714 0.521 18411 13568 1 16 . 1 1 158 158 HIS CB C 158 31.028 31.028 30.620 0.408 18411 13569 1 17 . 1 1 3 3 LEU HA H 3 3.930 3.930 4.834 -0.904 18411 13570 1 17 . 1 1 3 3 LEU CA C 3 58.669 58.669 54.717 3.952 18411 13571 1 17 . 1 1 3 3 LEU CB C 3 42.010 42.010 44.484 -2.474 18411 13572 1 17 . 1 1 4 4 GLY C C 4 173.604 173.604 173.405 0.199 18411 13573 1 17 . 1 1 4 4 GLY CA C 4 46.072 46.072 44.661 1.411 18411 13574 1 17 . 1 1 5 5 TYR N N 5 116.195 116.195 123.499 -7.304 18411 13575 1 17 . 1 1 5 5 TYR HA H 5 4.769 4.769 4.408 0.361 18411 13576 1 17 . 1 1 5 5 TYR C C 5 177.898 177.898 176.119 1.779 18411 13577 1 17 . 1 1 5 5 TYR CA C 5 60.102 60.102 59.129 0.973 18411 13578 1 17 . 1 1 5 5 TYR CB C 5 39.615 39.615 38.949 0.666 18411 13579 1 17 . 1 1 5 5 TYR H H 5 7.849 7.849 7.735 0.114 18411 13580 1 17 . 1 1 6 6 ILE N N 6 115.338 115.338 118.821 -3.483 18411 13581 1 17 . 1 1 6 6 ILE HA H 6 4.514 4.514 4.246 0.268 18411 13582 1 17 . 1 1 6 6 ILE C C 6 175.977 175.977 175.345 0.632 18411 13583 1 17 . 1 1 6 6 ILE CA C 6 61.623 61.623 61.472 0.151 18411 13584 1 17 . 1 1 6 6 ILE CB C 6 38.270 38.270 38.732 -0.462 18411 13585 1 17 . 1 1 6 6 ILE H H 6 8.687 8.687 8.143 0.544 18411 13586 1 17 . 1 1 7 7 VAL N N 7 113.122 113.122 118.870 -5.748 18411 13587 1 17 . 1 1 7 7 VAL HA H 7 4.730 4.730 4.678 0.052 18411 13588 1 17 . 1 1 7 7 VAL C C 7 174.331 174.331 175.805 -1.474 18411 13589 1 17 . 1 1 7 7 VAL CA C 7 58.867 58.867 60.814 -1.947 18411 13590 1 17 . 1 1 7 7 VAL CB C 7 34.475 34.475 33.639 0.836 18411 13591 1 17 . 1 1 7 7 VAL H H 7 6.845 6.845 7.366 -0.521 18411 13592 1 17 . 1 1 8 8 ARG N N 8 117.597 117.597 124.462 -6.865 18411 13593 1 17 . 1 1 8 8 ARG HA H 8 4.539 4.539 4.657 -0.118 18411 13594 1 17 . 1 1 8 8 ARG C C 8 175.618 175.618 175.280 0.338 18411 13595 1 17 . 1 1 8 8 ARG CA C 8 53.717 53.717 53.519 0.198 18411 13596 1 17 . 1 1 8 8 ARG CB C 8 34.126 34.126 33.162 0.964 18411 13597 1 17 . 1 1 8 8 ARG H H 8 7.978 7.978 8.285 -0.307 18411 13598 1 17 . 1 1 9 9 ILE N N 9 118.377 118.377 120.788 -2.411 18411 13599 1 17 . 1 1 9 9 ILE HA H 9 3.465 3.465 3.887 -0.422 18411 13600 1 17 . 1 1 9 9 ILE C C 9 177.771 177.771 177.643 0.128 18411 13601 1 17 . 1 1 9 9 ILE CA C 9 62.350 62.350 62.772 -0.422 18411 13602 1 17 . 1 1 9 9 ILE CB C 9 37.049 37.049 37.395 -0.346 18411 13603 1 17 . 1 1 9 9 ILE H H 9 8.085 8.085 8.394 -0.309 18411 13604 1 17 . 1 1 10 10 GLY N N 10 115.204 115.204 116.009 -0.805 18411 13605 1 17 . 1 1 10 10 GLY C C 10 174.235 174.235 173.842 0.393 18411 13606 1 17 . 1 1 10 10 GLY CA C 10 44.763 44.763 44.778 -0.015 18411 13607 1 17 . 1 1 10 10 GLY H H 10 9.149 9.149 9.237 -0.088 18411 13608 1 17 . 1 1 11 11 GLU N N 11 119.157 119.157 121.255 -2.098 18411 13609 1 17 . 1 1 11 11 GLU HA H 11 4.392 4.392 4.475 -0.083 18411 13610 1 17 . 1 1 11 11 GLU C C 11 176.729 176.729 175.798 0.931 18411 13611 1 17 . 1 1 11 11 GLU CA C 11 55.108 55.108 54.715 0.393 18411 13612 1 17 . 1 1 11 11 GLU CB C 11 31.473 31.473 30.877 0.596 18411 13613 1 17 . 1 1 11 11 GLU H H 11 7.631 7.631 7.582 0.049 18411 13614 1 17 . 1 1 12 12 MET N N 12 119.646 119.646 122.418 -2.772 18411 13615 1 17 . 1 1 12 12 MET HA H 12 4.593 4.593 4.610 -0.017 18411 13616 1 17 . 1 1 12 12 MET C C 12 177.162 177.162 176.352 0.810 18411 13617 1 17 . 1 1 12 12 MET CA C 12 54.475 54.475 55.804 -1.329 18411 13618 1 17 . 1 1 12 12 MET CB C 12 30.749 30.749 33.332 -2.583 18411 13619 1 17 . 1 1 12 12 MET H H 12 8.566 8.566 8.520 0.046 18411 13620 1 17 . 1 1 13 13 ALA N N 13 129.735 129.735 126.706 3.029 18411 13621 1 17 . 1 1 13 13 ALA HA H 13 4.293 4.293 4.548 -0.255 18411 13622 1 17 . 1 1 13 13 ALA C C 13 175.992 175.992 175.408 0.584 18411 13623 1 17 . 1 1 13 13 ALA CA C 13 50.676 50.676 49.937 0.739 18411 13624 1 17 . 1 1 13 13 ALA CB C 13 18.125 18.125 18.652 -0.527 18411 13625 1 17 . 1 1 13 13 ALA H H 13 8.626 8.626 8.607 0.019 18411 13626 1 17 . 1 1 14 14 PRO HA H 14 4.253 4.253 4.434 -0.181 18411 13627 1 17 . 1 1 14 14 PRO C C 14 176.066 176.066 175.666 0.400 18411 13628 1 17 . 1 1 14 14 PRO CA C 14 63.478 63.478 62.438 1.040 18411 13629 1 17 . 1 1 14 14 PRO CB C 14 32.987 32.987 32.322 0.665 18411 13630 1 17 . 1 1 15 15 ASP N N 15 123.075 123.075 120.998 2.077 18411 13631 1 17 . 1 1 15 15 ASP HA H 15 4.700 4.700 4.519 0.181 18411 13632 1 17 . 1 1 15 15 ASP C C 15 176.067 176.067 175.547 0.520 18411 13633 1 17 . 1 1 15 15 ASP CA C 15 53.628 53.628 54.335 -0.707 18411 13634 1 17 . 1 1 15 15 ASP CB C 15 41.613 41.613 42.574 -0.961 18411 13635 1 17 . 1 1 15 15 ASP H H 15 8.373 8.373 8.391 -0.018 18411 13636 1 17 . 1 1 16 16 PHE N N 16 114.256 114.256 114.001 0.255 18411 13637 1 17 . 1 1 16 16 PHE HA H 16 4.869 4.869 4.825 0.044 18411 13638 1 17 . 1 1 16 16 PHE C C 16 173.028 173.028 173.423 -0.395 18411 13639 1 17 . 1 1 16 16 PHE CA C 16 56.721 56.721 56.792 -0.071 18411 13640 1 17 . 1 1 16 16 PHE CB C 16 40.560 40.560 40.514 0.046 18411 13641 1 17 . 1 1 16 16 PHE H H 16 7.950 7.950 7.938 0.012 18411 13642 1 17 . 1 1 17 17 THR N N 17 116.459 116.459 117.295 -0.836 18411 13643 1 17 . 1 1 17 17 THR HA H 17 5.244 5.244 5.359 -0.115 18411 13644 1 17 . 1 1 17 17 THR C C 17 172.722 172.722 173.659 -0.937 18411 13645 1 17 . 1 1 17 17 THR CA C 17 62.061 62.061 61.925 0.137 18411 13646 1 17 . 1 1 17 17 THR CB C 17 70.882 70.882 69.618 1.264 18411 13647 1 17 . 1 1 17 17 THR H H 17 8.596 8.596 8.528 0.068 18411 13648 1 17 . 1 1 18 18 ILE N N 18 128.165 128.165 127.196 0.969 18411 13649 1 17 . 1 1 18 18 ILE HA H 18 4.995 4.995 4.602 0.393 18411 13650 1 17 . 1 1 18 18 ILE C C 18 172.309 172.309 173.946 -1.637 18411 13651 1 17 . 1 1 18 18 ILE CA C 18 59.123 59.123 59.053 0.070 18411 13652 1 17 . 1 1 18 18 ILE CB C 18 43.984 43.984 41.740 2.244 18411 13653 1 17 . 1 1 18 18 ILE H H 18 9.574 9.574 9.144 0.430 18411 13654 1 17 . 1 1 19 19 THR N N 19 124.473 124.473 123.262 1.211 18411 13655 1 17 . 1 1 19 19 THR HA H 19 4.821 4.821 4.857 -0.036 18411 13656 1 17 . 1 1 19 19 THR C C 19 174.104 174.104 174.407 -0.303 18411 13657 1 17 . 1 1 19 19 THR CA C 19 62.316 62.316 62.559 -0.243 18411 13658 1 17 . 1 1 19 19 THR CB C 19 69.287 69.287 69.213 0.074 18411 13659 1 17 . 1 1 19 19 THR H H 19 9.081 9.081 8.554 0.527 18411 13660 1 17 . 1 1 20 20 LEU N N 20 125.167 125.167 127.259 -2.092 18411 13661 1 17 . 1 1 20 20 LEU HA H 20 5.082 5.082 4.764 0.318 18411 13662 1 17 . 1 1 20 20 LEU C C 20 181.023 181.023 179.565 1.458 18411 13663 1 17 . 1 1 20 20 LEU CA C 20 54.191 54.191 54.380 -0.189 18411 13664 1 17 . 1 1 20 20 LEU CB C 20 42.219 42.219 43.000 -0.781 18411 13665 1 17 . 1 1 20 20 LEU H H 20 9.227 9.227 9.077 0.150 18411 13666 1 17 . 1 1 21 21 THR N N 21 109.887 109.887 113.628 -3.741 18411 13667 1 17 . 1 1 21 21 THR HA H 21 3.831 3.831 4.026 -0.195 18411 13668 1 17 . 1 1 21 21 THR C C 21 174.716 174.716 174.943 -0.227 18411 13669 1 17 . 1 1 21 21 THR CA C 21 64.992 64.992 65.536 -0.544 18411 13670 1 17 . 1 1 21 21 THR CB C 21 68.529 68.529 68.592 -0.063 18411 13671 1 17 . 1 1 21 21 THR H H 21 8.603 8.603 8.628 -0.025 18411 13672 1 17 . 1 1 22 22 ASP N N 22 117.311 117.311 117.793 -0.482 18411 13673 1 17 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.596 -0.002 18411 13674 1 17 . 1 1 22 22 ASP C C 22 177.771 177.771 176.749 1.022 18411 13675 1 17 . 1 1 22 22 ASP CA C 22 53.173 53.173 53.960 -0.787 18411 13676 1 17 . 1 1 22 22 ASP CB C 22 40.449 40.449 41.136 -0.687 18411 13677 1 17 . 1 1 22 22 ASP H H 22 7.530 7.530 7.861 -0.331 18411 13678 1 17 . 1 1 23 23 GLY N N 23 108.847 108.847 108.073 0.774 18411 13679 1 17 . 1 1 23 23 GLY C C 23 174.806 174.806 174.154 0.652 18411 13680 1 17 . 1 1 23 23 GLY CA C 23 45.028 45.028 44.728 0.300 18411 13681 1 17 . 1 1 23 23 GLY H H 23 8.203 8.203 7.734 0.469 18411 13682 1 17 . 1 1 24 24 LYS N N 24 122.092 122.092 122.469 -0.377 18411 13683 1 17 . 1 1 24 24 LYS HA H 24 4.267 4.267 4.235 0.032 18411 13684 1 17 . 1 1 24 24 LYS C C 24 175.350 175.350 176.320 -0.970 18411 13685 1 17 . 1 1 24 24 LYS CA C 24 57.060 57.060 56.119 0.941 18411 13686 1 17 . 1 1 24 24 LYS CB C 24 33.271 33.271 32.551 0.720 18411 13687 1 17 . 1 1 24 24 LYS H H 24 7.881 7.881 8.284 -0.403 18411 13688 1 17 . 1 1 25 25 GLN N N 25 119.585 119.585 123.664 -4.079 18411 13689 1 17 . 1 1 25 25 GLN HA H 25 5.561 5.561 5.051 0.510 18411 13690 1 17 . 1 1 25 25 GLN C C 25 176.631 176.631 176.083 0.548 18411 13691 1 17 . 1 1 25 25 GLN CA C 25 54.572 54.572 55.166 -0.594 18411 13692 1 17 . 1 1 25 25 GLN CB C 25 31.621 31.621 28.921 2.700 18411 13693 1 17 . 1 1 25 25 GLN H H 25 8.365 8.365 8.604 -0.239 18411 13694 1 17 . 1 1 26 26 VAL N N 26 123.115 123.115 120.170 2.945 18411 13695 1 17 . 1 1 26 26 VAL HA H 26 4.466 4.466 4.649 -0.183 18411 13696 1 17 . 1 1 26 26 VAL C C 26 174.390 174.390 174.402 -0.012 18411 13697 1 17 . 1 1 26 26 VAL CA C 26 61.142 61.142 59.671 1.471 18411 13698 1 17 . 1 1 26 26 VAL CB C 26 35.962 35.962 35.002 0.960 18411 13699 1 17 . 1 1 26 26 VAL H H 26 9.069 9.069 8.962 0.107 18411 13700 1 17 . 1 1 27 27 THR N N 27 122.509 122.509 117.396 5.113 18411 13701 1 17 . 1 1 27 27 THR HA H 27 5.437 5.437 5.145 0.292 18411 13702 1 17 . 1 1 27 27 THR C C 27 176.330 176.330 175.650 0.680 18411 13703 1 17 . 1 1 27 27 THR CA C 27 60.068 60.068 60.001 0.067 18411 13704 1 17 . 1 1 27 27 THR CB C 27 70.655 70.655 71.154 -0.499 18411 13705 1 17 . 1 1 27 27 THR H H 27 8.256 8.256 7.919 0.337 18411 13706 1 17 . 1 1 28 28 LEU N N 28 131.816 131.816 124.654 7.162 18411 13707 1 17 . 1 1 28 28 LEU HA H 28 3.607 3.607 3.795 -0.188 18411 13708 1 17 . 1 1 28 28 LEU C C 28 180.093 180.093 178.221 1.872 18411 13709 1 17 . 1 1 28 28 LEU CA C 28 59.264 59.264 57.377 1.887 18411 13710 1 17 . 1 1 28 28 LEU CB C 28 39.396 39.396 41.683 -2.287 18411 13711 1 17 . 1 1 28 28 LEU H H 28 8.311 8.311 8.509 -0.198 18411 13712 1 17 . 1 1 29 29 SER N N 29 114.727 114.727 114.252 0.475 18411 13713 1 17 . 1 1 29 29 SER HA H 29 4.003 4.003 4.199 -0.196 18411 13714 1 17 . 1 1 29 29 SER C C 29 177.762 177.762 176.708 1.054 18411 13715 1 17 . 1 1 29 29 SER CA C 29 60.896 60.896 60.902 -0.006 18411 13716 1 17 . 1 1 29 29 SER CB C 29 61.091 61.091 62.302 -1.211 18411 13717 1 17 . 1 1 29 29 SER H H 29 9.491 9.491 7.986 1.505 18411 13718 1 17 . 1 1 30 30 SER N N 30 119.100 119.100 118.067 1.033 18411 13719 1 17 . 1 1 30 30 SER HA H 30 4.476 4.476 4.347 0.129 18411 13720 1 17 . 1 1 30 30 SER C C 30 175.104 175.104 175.174 -0.070 18411 13721 1 17 . 1 1 30 30 SER CA C 30 60.661 60.661 60.708 -0.047 18411 13722 1 17 . 1 1 30 30 SER CB C 30 63.174 63.174 63.203 -0.029 18411 13723 1 17 . 1 1 30 30 SER H H 30 7.878 7.878 7.813 0.065 18411 13724 1 17 . 1 1 31 31 LEU N N 31 121.415 121.415 119.352 2.063 18411 13725 1 17 . 1 1 31 31 LEU HA H 31 4.258 4.258 4.497 -0.239 18411 13726 1 17 . 1 1 31 31 LEU C C 31 175.710 175.710 175.533 0.177 18411 13727 1 17 . 1 1 31 31 LEU CA C 31 53.804 53.804 53.631 0.173 18411 13728 1 17 . 1 1 31 31 LEU CB C 31 41.285 41.285 42.627 -1.342 18411 13729 1 17 . 1 1 31 31 LEU H H 31 8.026 8.026 7.615 0.411 18411 13730 1 17 . 1 1 32 32 ARG N N 32 119.061 119.061 121.364 -2.303 18411 13731 1 17 . 1 1 32 32 ARG HA H 32 4.411 4.411 4.191 0.220 18411 13732 1 17 . 1 1 32 32 ARG C C 32 177.585 177.585 176.682 0.903 18411 13733 1 17 . 1 1 32 32 ARG CA C 32 57.590 57.590 56.524 1.066 18411 13734 1 17 . 1 1 32 32 ARG CB C 32 29.497 29.497 28.386 1.111 18411 13735 1 17 . 1 1 32 32 ARG H H 32 6.788 6.788 7.209 -0.421 18411 13736 1 17 . 1 1 33 33 GLY N N 33 114.033 114.033 112.713 1.320 18411 13737 1 17 . 1 1 33 33 GLY C C 33 173.456 173.456 173.254 0.202 18411 13738 1 17 . 1 1 33 33 GLY CA C 33 44.684 44.684 44.941 -0.257 18411 13739 1 17 . 1 1 33 33 GLY H H 33 9.120 9.120 8.175 0.945 18411 13740 1 17 . 1 1 34 34 LYS N N 34 120.270 120.270 119.995 0.275 18411 13741 1 17 . 1 1 34 34 LYS HA H 34 4.606 4.606 4.684 -0.078 18411 13742 1 17 . 1 1 34 34 LYS C C 34 175.350 175.350 176.529 -1.179 18411 13743 1 17 . 1 1 34 34 LYS CA C 34 54.786 54.786 54.029 0.757 18411 13744 1 17 . 1 1 34 34 LYS CB C 34 34.125 34.125 35.017 -0.892 18411 13745 1 17 . 1 1 34 34 LYS H H 34 8.146 8.146 7.614 0.532 18411 13746 1 17 . 1 1 35 35 VAL N N 35 122.059 122.059 116.923 5.136 18411 13747 1 17 . 1 1 35 35 VAL HA H 35 4.020 4.020 4.278 -0.258 18411 13748 1 17 . 1 1 35 35 VAL C C 35 174.699 174.699 174.411 0.288 18411 13749 1 17 . 1 1 35 35 VAL CA C 35 63.108 63.108 61.758 1.350 18411 13750 1 17 . 1 1 35 35 VAL CB C 35 33.022 33.022 31.272 1.750 18411 13751 1 17 . 1 1 35 35 VAL H H 35 8.757 8.757 8.182 0.575 18411 13752 1 17 . 1 1 36 36 VAL N N 36 125.815 125.815 126.989 -1.174 18411 13753 1 17 . 1 1 36 36 VAL HA H 36 4.856 4.856 4.540 0.316 18411 13754 1 17 . 1 1 36 36 VAL C C 36 174.622 174.622 174.490 0.132 18411 13755 1 17 . 1 1 36 36 VAL CA C 36 60.078 60.078 60.423 -0.345 18411 13756 1 17 . 1 1 36 36 VAL CB C 36 35.605 35.605 32.925 2.680 18411 13757 1 17 . 1 1 36 36 VAL H H 36 8.485 8.485 8.870 -0.385 18411 13758 1 17 . 1 1 37 37 MET N N 37 126.478 126.478 128.701 -2.223 18411 13759 1 17 . 1 1 37 37 MET HA H 37 5.383 5.383 4.958 0.425 18411 13760 1 17 . 1 1 37 37 MET C C 37 173.473 173.473 173.617 -0.144 18411 13761 1 17 . 1 1 37 37 MET CA C 37 53.661 53.661 54.520 -0.859 18411 13762 1 17 . 1 1 37 37 MET CB C 37 35.948 35.948 34.694 1.254 18411 13763 1 17 . 1 1 37 37 MET H H 37 8.694 8.694 8.863 -0.169 18411 13764 1 17 . 1 1 38 38 LEU N N 38 124.275 124.275 127.236 -2.961 18411 13765 1 17 . 1 1 38 38 LEU HA H 38 5.100 5.100 5.220 -0.120 18411 13766 1 17 . 1 1 38 38 LEU C C 38 175.828 175.828 174.814 1.014 18411 13767 1 17 . 1 1 38 38 LEU CA C 38 52.144 52.144 53.151 -1.007 18411 13768 1 17 . 1 1 38 38 LEU CB C 38 42.898 42.898 45.188 -2.290 18411 13769 1 17 . 1 1 38 38 LEU H H 38 9.181 9.181 9.169 0.012 18411 13770 1 17 . 1 1 39 39 GLN N N 39 124.390 124.390 120.765 3.625 18411 13771 1 17 . 1 1 39 39 GLN HA H 39 5.369 5.369 5.235 0.134 18411 13772 1 17 . 1 1 39 39 GLN C C 39 175.696 175.696 174.298 1.398 18411 13773 1 17 . 1 1 39 39 GLN CA C 39 54.025 54.025 53.155 0.870 18411 13774 1 17 . 1 1 39 39 GLN CB C 39 28.735 28.735 31.711 -2.976 18411 13775 1 17 . 1 1 39 39 GLN H H 39 8.325 8.325 8.088 0.237 18411 13776 1 17 . 1 1 40 40 PHE N N 40 128.800 128.800 126.182 2.618 18411 13777 1 17 . 1 1 40 40 PHE HA H 40 5.182 5.182 5.438 -0.256 18411 13778 1 17 . 1 1 40 40 PHE C C 40 175.432 175.432 175.648 -0.216 18411 13779 1 17 . 1 1 40 40 PHE CA C 40 59.370 59.370 57.733 1.637 18411 13780 1 17 . 1 1 40 40 PHE CB C 40 39.256 39.256 38.879 0.377 18411 13781 1 17 . 1 1 40 40 PHE H H 40 8.899 8.899 8.706 0.193 18411 13782 1 17 . 1 1 41 41 THR N N 41 117.616 117.616 118.077 -0.461 18411 13783 1 17 . 1 1 41 41 THR HA H 41 5.274 5.274 4.638 0.636 18411 13784 1 17 . 1 1 41 41 THR C C 41 170.795 170.795 172.244 -1.449 18411 13785 1 17 . 1 1 41 41 THR CA C 41 59.448 59.448 60.342 -0.894 18411 13786 1 17 . 1 1 41 41 THR CB C 41 70.892 70.892 71.756 -0.864 18411 13787 1 17 . 1 1 41 41 THR H H 41 8.589 8.589 8.981 -0.392 18411 13788 1 17 . 1 1 42 42 ALA N N 42 122.005 122.005 122.752 -0.747 18411 13789 1 17 . 1 1 42 42 ALA HA H 42 4.162 4.162 4.833 -0.671 18411 13790 1 17 . 1 1 42 42 ALA C C 42 177.618 177.618 177.010 0.608 18411 13791 1 17 . 1 1 42 42 ALA CA C 42 52.454 52.454 50.012 2.442 18411 13792 1 17 . 1 1 42 42 ALA CB C 42 20.704 20.704 21.395 -0.691 18411 13793 1 17 . 1 1 42 42 ALA H H 42 7.201 7.201 8.161 -0.960 18411 13794 1 17 . 1 1 43 43 SER N N 43 117.426 117.426 117.695 -0.269 18411 13795 1 17 . 1 1 43 43 SER HA H 43 1.542 1.542 2.887 -1.345 18411 13796 1 17 . 1 1 43 43 SER C C 43 174.845 174.845 175.285 -0.440 18411 13797 1 17 . 1 1 43 43 SER CA C 43 60.202 60.202 61.076 -0.874 18411 13798 1 17 . 1 1 43 43 SER CB C 43 63.040 63.040 63.066 -0.026 18411 13799 1 17 . 1 1 43 43 SER H H 43 9.472 9.472 8.411 1.061 18411 13800 1 17 . 1 1 44 44 TRP N N 44 116.512 116.512 116.897 -0.385 18411 13801 1 17 . 1 1 44 44 TRP HA H 44 4.495 4.495 5.069 -0.574 18411 13802 1 17 . 1 1 44 44 TRP C C 44 176.297 176.297 175.467 0.830 18411 13803 1 17 . 1 1 44 44 TRP CA C 44 53.405 53.405 54.395 -0.990 18411 13804 1 17 . 1 1 44 44 TRP CB C 44 29.450 29.450 29.117 0.333 18411 13805 1 17 . 1 1 44 44 TRP H H 44 6.345 6.345 6.889 -0.544 18411 13806 1 17 . 1 1 45 45 CYS N N 45 125.015 125.015 122.805 2.210 18411 13807 1 17 . 1 1 45 45 CYS HA H 45 4.501 4.501 4.381 0.120 18411 13808 1 17 . 1 1 45 45 CYS C C 45 176.409 176.409 176.496 -0.087 18411 13809 1 17 . 1 1 45 45 CYS CA C 45 58.904 58.904 60.680 -1.776 18411 13810 1 17 . 1 1 45 45 CYS CB C 45 28.203 28.203 27.394 0.809 18411 13811 1 17 . 1 1 45 45 CYS H H 45 6.982 6.982 7.490 -0.508 18411 13812 1 17 . 1 1 46 46 GLY CA C 46 47.225 47.225 46.950 0.275 18411 13813 1 17 . 1 1 47 47 VAL HA H 47 3.804 3.804 3.812 -0.008 18411 13814 1 17 . 1 1 47 47 VAL CA C 47 66.661 66.661 65.243 1.419 18411 13815 1 17 . 1 1 47 47 VAL CB C 47 31.506 31.506 31.175 0.331 18411 13816 1 17 . 1 1 48 48 CYS HA H 48 3.875 3.875 4.210 -0.335 18411 13817 1 17 . 1 1 48 48 CYS C C 48 177.961 177.961 175.382 2.579 18411 13818 1 17 . 1 1 48 48 CYS CA C 48 65.053 65.053 60.341 4.712 18411 13819 1 17 . 1 1 48 48 CYS CB C 48 28.741 28.741 26.557 2.184 18411 13820 1 17 . 1 1 49 49 ARG N N 49 115.039 115.039 118.562 -3.523 18411 13821 1 17 . 1 1 49 49 ARG HA H 49 3.898 3.898 4.145 -0.247 18411 13822 1 17 . 1 1 49 49 ARG C C 49 177.871 177.871 176.984 0.887 18411 13823 1 17 . 1 1 49 49 ARG CA C 49 59.837 59.837 58.189 1.648 18411 13824 1 17 . 1 1 49 49 ARG CB C 49 30.585 30.585 29.860 0.725 18411 13825 1 17 . 1 1 49 49 ARG H H 49 7.658 7.658 7.598 0.061 18411 13826 1 17 . 1 1 50 50 LYS N N 50 117.909 117.909 118.486 -0.577 18411 13827 1 17 . 1 1 50 50 LYS HA H 50 4.098 4.098 4.078 0.020 18411 13828 1 17 . 1 1 50 50 LYS C C 50 177.723 177.723 177.387 0.336 18411 13829 1 17 . 1 1 50 50 LYS CA C 50 58.198 58.198 58.438 -0.240 18411 13830 1 17 . 1 1 50 50 LYS CB C 50 32.803 32.803 32.489 0.314 18411 13831 1 17 . 1 1 50 50 LYS H H 50 7.385 7.385 7.547 -0.162 18411 13832 1 17 . 1 1 51 51 GLU N N 51 117.196 117.196 120.407 -3.211 18411 13833 1 17 . 1 1 51 51 GLU HA H 51 3.453 3.453 3.613 -0.160 18411 13834 1 17 . 1 1 51 51 GLU C C 51 179.194 179.194 178.981 0.213 18411 13835 1 17 . 1 1 51 51 GLU CA C 51 57.754 57.754 59.481 -1.727 18411 13836 1 17 . 1 1 51 51 GLU CB C 51 29.825 29.825 29.602 0.223 18411 13837 1 17 . 1 1 51 51 GLU H H 51 7.764 7.764 7.235 0.529 18411 13838 1 17 . 1 1 52 52 MET N N 52 118.785 118.785 117.487 1.298 18411 13839 1 17 . 1 1 52 52 MET HA H 52 3.979 3.979 4.541 -0.562 18411 13840 1 17 . 1 1 52 52 MET C C 52 174.346 174.346 176.531 -2.185 18411 13841 1 17 . 1 1 52 52 MET CA C 52 62.384 62.384 59.887 2.497 18411 13842 1 17 . 1 1 52 52 MET CB C 52 32.805 32.805 29.602 3.203 18411 13843 1 17 . 1 1 52 52 MET H H 52 8.100 8.100 8.650 -0.550 18411 13844 1 17 . 1 1 53 53 PRO HA H 53 4.299 4.299 4.288 0.011 18411 13845 1 17 . 1 1 53 53 PRO C C 53 179.242 179.242 179.651 -0.409 18411 13846 1 17 . 1 1 53 53 PRO CA C 53 65.708 65.708 66.124 -0.416 18411 13847 1 17 . 1 1 53 53 PRO CB C 53 31.570 31.570 31.422 0.148 18411 13848 1 17 . 1 1 54 54 PHE N N 54 116.067 116.067 117.622 -1.555 18411 13849 1 17 . 1 1 54 54 PHE HA H 54 4.372 4.372 4.203 0.169 18411 13850 1 17 . 1 1 54 54 PHE C C 54 178.283 178.283 178.163 0.120 18411 13851 1 17 . 1 1 54 54 PHE CA C 54 61.249 61.249 62.849 -1.599 18411 13852 1 17 . 1 1 54 54 PHE CB C 54 38.366 38.366 38.355 0.011 18411 13853 1 17 . 1 1 54 54 PHE H H 54 7.251 7.251 7.794 -0.543 18411 13854 1 17 . 1 1 55 55 ILE N N 55 122.051 122.051 120.234 1.817 18411 13855 1 17 . 1 1 55 55 ILE HA H 55 3.746 3.746 3.926 -0.180 18411 13856 1 17 . 1 1 55 55 ILE C C 55 179.005 179.005 178.049 0.956 18411 13857 1 17 . 1 1 55 55 ILE CA C 55 66.678 66.678 66.228 0.450 18411 13858 1 17 . 1 1 55 55 ILE CB C 55 37.449 37.449 37.810 -0.361 18411 13859 1 17 . 1 1 55 55 ILE H H 55 7.935 7.935 9.033 -1.098 18411 13860 1 17 . 1 1 56 56 GLU N N 56 120.941 120.941 120.661 0.280 18411 13861 1 17 . 1 1 56 56 GLU HA H 56 4.578 4.578 4.258 0.320 18411 13862 1 17 . 1 1 56 56 GLU C C 56 177.034 177.034 178.418 -1.384 18411 13863 1 17 . 1 1 56 56 GLU CA C 56 59.607 59.607 60.102 -0.495 18411 13864 1 17 . 1 1 56 56 GLU CB C 56 29.640 29.640 29.358 0.282 18411 13865 1 17 . 1 1 56 56 GLU H H 56 8.657 8.657 8.492 0.165 18411 13866 1 17 . 1 1 57 57 LYS N N 57 114.712 114.712 118.399 -3.687 18411 13867 1 17 . 1 1 57 57 LYS HA H 57 4.165 4.165 4.043 0.122 18411 13868 1 17 . 1 1 57 57 LYS C C 57 177.831 177.831 179.169 -1.338 18411 13869 1 17 . 1 1 57 57 LYS CA C 57 59.905 59.905 59.610 0.295 18411 13870 1 17 . 1 1 57 57 LYS CB C 57 33.873 33.873 32.616 1.257 18411 13871 1 17 . 1 1 57 57 LYS H H 57 7.719 7.719 8.246 -0.527 18411 13872 1 17 . 1 1 58 58 ASP N N 58 114.953 114.953 116.139 -1.186 18411 13873 1 17 . 1 1 58 58 ASP HA H 58 4.843 4.843 4.750 0.093 18411 13874 1 17 . 1 1 58 58 ASP C C 58 176.515 176.515 177.579 -1.064 18411 13875 1 17 . 1 1 58 58 ASP CA C 58 56.125 56.125 55.790 0.335 18411 13876 1 17 . 1 1 58 58 ASP CB C 58 42.087 42.087 42.440 -0.353 18411 13877 1 17 . 1 1 58 58 ASP H H 58 8.783 8.783 8.502 0.281 18411 13878 1 17 . 1 1 59 59 ILE N N 59 115.807 115.807 118.958 -3.151 18411 13879 1 17 . 1 1 59 59 ILE HA H 59 4.268 4.268 4.255 0.013 18411 13880 1 17 . 1 1 59 59 ILE C C 59 176.369 176.369 176.779 -0.410 18411 13881 1 17 . 1 1 59 59 ILE CA C 59 63.757 63.757 63.130 0.627 18411 13882 1 17 . 1 1 59 59 ILE CB C 59 40.396 40.396 39.487 0.909 18411 13883 1 17 . 1 1 59 59 ILE H H 59 7.455 7.455 7.811 -0.356 18411 13884 1 17 . 1 1 60 60 TRP N N 60 120.937 120.937 122.442 -1.505 18411 13885 1 17 . 1 1 60 60 TRP HA H 60 4.727 4.727 4.282 0.445 18411 13886 1 17 . 1 1 60 60 TRP C C 60 177.428 177.428 178.208 -0.780 18411 13887 1 17 . 1 1 60 60 TRP CA C 60 60.644 60.644 60.925 -0.281 18411 13888 1 17 . 1 1 60 60 TRP CB C 60 30.907 30.907 30.470 0.437 18411 13889 1 17 . 1 1 60 60 TRP H H 60 9.012 9.012 8.803 0.209 18411 13890 1 17 . 1 1 61 61 LEU N N 61 113.624 113.624 117.200 -3.576 18411 13891 1 17 . 1 1 61 61 LEU HA H 61 3.572 3.572 3.794 -0.222 18411 13892 1 17 . 1 1 61 61 LEU C C 61 179.473 179.473 178.110 1.363 18411 13893 1 17 . 1 1 61 61 LEU CA C 61 57.569 57.569 57.467 0.102 18411 13894 1 17 . 1 1 61 61 LEU CB C 61 41.040 41.040 41.343 -0.303 18411 13895 1 17 . 1 1 61 61 LEU H H 61 9.210 9.210 8.391 0.819 18411 13896 1 17 . 1 1 62 62 LYS N N 62 112.991 112.991 115.438 -2.447 18411 13897 1 17 . 1 1 62 62 LYS HA H 62 3.889 3.889 3.966 -0.077 18411 13898 1 17 . 1 1 62 62 LYS C C 62 178.111 178.111 176.820 1.291 18411 13899 1 17 . 1 1 62 62 LYS CA C 62 56.667 56.667 57.647 -0.980 18411 13900 1 17 . 1 1 62 62 LYS CB C 62 31.651 31.651 32.204 -0.553 18411 13901 1 17 . 1 1 62 62 LYS H H 62 6.216 6.216 7.483 -1.267 18411 13902 1 17 . 1 1 63 63 HIS N N 63 114.656 114.656 114.611 0.045 18411 13903 1 17 . 1 1 63 63 HIS HA H 63 4.943 4.943 4.555 0.388 18411 13904 1 17 . 1 1 63 63 HIS C C 63 177.057 177.057 175.094 1.963 18411 13905 1 17 . 1 1 63 63 HIS CA C 63 56.133 56.133 55.379 0.754 18411 13906 1 17 . 1 1 63 63 HIS CB C 63 33.235 33.235 31.860 1.375 18411 13907 1 17 . 1 1 63 63 HIS H H 63 7.067 7.067 7.402 -0.335 18411 13908 1 17 . 1 1 64 64 LYS N N 64 119.155 119.155 119.896 -0.741 18411 13909 1 17 . 1 1 64 64 LYS HA H 64 3.513 3.513 3.614 -0.101 18411 13910 1 17 . 1 1 64 64 LYS C C 64 177.074 177.074 176.282 0.792 18411 13911 1 17 . 1 1 64 64 LYS CA C 64 59.166 59.166 59.065 0.101 18411 13912 1 17 . 1 1 64 64 LYS CB C 64 28.740 28.740 31.176 -2.436 18411 13913 1 17 . 1 1 64 64 LYS H H 64 8.114 8.114 7.790 0.324 18411 13914 1 17 . 1 1 65 65 ASP N N 65 117.882 117.882 116.203 1.679 18411 13915 1 17 . 1 1 65 65 ASP HA H 65 4.714 4.714 4.447 0.267 18411 13916 1 17 . 1 1 65 65 ASP C C 65 175.195 175.195 177.038 -1.843 18411 13917 1 17 . 1 1 65 65 ASP CA C 65 54.204 54.204 55.108 -0.904 18411 13918 1 17 . 1 1 65 65 ASP CB C 65 40.564 40.564 41.074 -0.510 18411 13919 1 17 . 1 1 65 65 ASP H H 65 7.963 7.963 8.032 -0.069 18411 13920 1 17 . 1 1 66 66 ASN N N 66 122.091 122.091 117.043 5.048 18411 13921 1 17 . 1 1 66 66 ASN HA H 66 4.659 4.659 4.415 0.244 18411 13922 1 17 . 1 1 66 66 ASN C C 66 176.046 176.046 174.570 1.476 18411 13923 1 17 . 1 1 66 66 ASN CA C 66 52.799 52.799 54.345 -1.546 18411 13924 1 17 . 1 1 66 66 ASN CB C 66 39.054 39.054 38.322 0.732 18411 13925 1 17 . 1 1 66 66 ASN H H 66 8.184 8.184 8.123 0.061 18411 13926 1 17 . 1 1 67 67 ALA N N 67 128.893 128.893 121.930 6.963 18411 13927 1 17 . 1 1 67 67 ALA HA H 67 4.295 4.295 4.444 -0.149 18411 13928 1 17 . 1 1 67 67 ALA C C 67 177.886 177.886 175.895 1.991 18411 13929 1 17 . 1 1 67 67 ALA CA C 67 54.049 54.049 53.123 0.926 18411 13930 1 17 . 1 1 67 67 ALA CB C 67 18.549 18.549 20.527 -1.978 18411 13931 1 17 . 1 1 67 67 ALA H H 67 8.806 8.806 8.326 0.480 18411 13932 1 17 . 1 1 68 68 ASP N N 68 116.612 116.612 117.917 -1.305 18411 13933 1 17 . 1 1 68 68 ASP HA H 68 4.823 4.823 5.021 -0.198 18411 13934 1 17 . 1 1 68 68 ASP C C 68 173.310 173.310 174.007 -0.697 18411 13935 1 17 . 1 1 68 68 ASP CA C 68 54.202 54.202 54.094 0.108 18411 13936 1 17 . 1 1 68 68 ASP CB C 68 40.892 40.892 42.781 -1.889 18411 13937 1 17 . 1 1 68 68 ASP H H 68 8.759 8.759 8.055 0.704 18411 13938 1 17 . 1 1 69 69 PHE N N 69 119.640 119.640 122.625 -2.985 18411 13939 1 17 . 1 1 69 69 PHE HA H 69 5.741 5.741 5.024 0.717 18411 13940 1 17 . 1 1 69 69 PHE C C 69 173.860 173.860 172.828 1.032 18411 13941 1 17 . 1 1 69 69 PHE CA C 69 56.192 56.192 56.564 -0.372 18411 13942 1 17 . 1 1 69 69 PHE CB C 69 43.496 43.496 42.403 1.093 18411 13943 1 17 . 1 1 69 69 PHE H H 69 7.912 7.912 7.703 0.209 18411 13944 1 17 . 1 1 70 70 ALA N N 70 130.226 130.226 129.692 0.534 18411 13945 1 17 . 1 1 70 70 ALA HA H 70 4.321 4.321 4.878 -0.557 18411 13946 1 17 . 1 1 70 70 ALA C C 70 171.945 171.945 174.613 -2.668 18411 13947 1 17 . 1 1 70 70 ALA CA C 70 51.573 51.573 50.035 1.538 18411 13948 1 17 . 1 1 70 70 ALA CB C 70 23.273 23.273 22.781 0.492 18411 13949 1 17 . 1 1 70 70 ALA H H 70 8.298 8.298 8.614 -0.316 18411 13950 1 17 . 1 1 71 71 LEU N N 71 122.090 122.090 123.784 -1.694 18411 13951 1 17 . 1 1 71 71 LEU HA H 71 5.120 5.120 5.352 -0.232 18411 13952 1 17 . 1 1 71 71 LEU C C 71 174.836 174.836 175.160 -0.324 18411 13953 1 17 . 1 1 71 71 LEU CA C 71 53.348 53.348 54.276 -0.928 18411 13954 1 17 . 1 1 71 71 LEU CB C 71 46.617 46.617 45.365 1.252 18411 13955 1 17 . 1 1 71 71 LEU H H 71 7.217 7.217 8.611 -1.394 18411 13956 1 17 . 1 1 72 72 ILE N N 72 123.189 123.189 124.180 -0.991 18411 13957 1 17 . 1 1 72 72 ILE HA H 72 4.336 4.336 4.727 -0.391 18411 13958 1 17 . 1 1 72 72 ILE C C 72 175.377 175.377 174.794 0.583 18411 13959 1 17 . 1 1 72 72 ILE CA C 72 60.236 60.236 59.637 0.599 18411 13960 1 17 . 1 1 72 72 ILE CB C 72 42.355 42.355 42.052 0.303 18411 13961 1 17 . 1 1 72 72 ILE H H 72 8.211 8.211 8.933 -0.722 18411 13962 1 17 . 1 1 73 73 GLY N N 73 114.189 114.189 114.264 -0.075 18411 13963 1 17 . 1 1 73 73 GLY C C 73 172.626 172.626 172.989 -0.363 18411 13964 1 17 . 1 1 73 73 GLY CA C 73 44.213 44.213 44.095 0.118 18411 13965 1 17 . 1 1 73 73 GLY H H 73 9.202 9.202 8.621 0.581 18411 13966 1 17 . 1 1 74 74 ILE N N 74 126.577 126.577 125.301 1.276 18411 13967 1 17 . 1 1 74 74 ILE HA H 74 3.873 3.873 4.944 -1.071 18411 13968 1 17 . 1 1 74 74 ILE C C 74 174.792 174.792 174.759 0.033 18411 13969 1 17 . 1 1 74 74 ILE CA C 74 61.660 61.660 58.277 3.383 18411 13970 1 17 . 1 1 74 74 ILE CB C 74 37.394 37.394 38.502 -1.108 18411 13971 1 17 . 1 1 74 74 ILE H H 74 9.279 9.279 9.082 0.197 18411 13972 1 17 . 1 1 75 75 ASP N N 75 129.040 129.040 128.222 0.818 18411 13973 1 17 . 1 1 75 75 ASP HA H 75 5.213 5.213 5.086 0.127 18411 13974 1 17 . 1 1 75 75 ASP C C 75 175.696 175.696 177.100 -1.404 18411 13975 1 17 . 1 1 75 75 ASP CA C 75 52.425 52.425 54.129 -1.704 18411 13976 1 17 . 1 1 75 75 ASP CB C 75 41.673 41.673 43.461 -1.788 18411 13977 1 17 . 1 1 75 75 ASP H H 75 8.592 8.592 8.722 -0.130 18411 13978 1 17 . 1 1 76 76 ARG N N 76 128.762 128.762 124.943 3.819 18411 13979 1 17 . 1 1 76 76 ARG HA H 76 4.346 4.346 4.066 0.280 18411 13980 1 17 . 1 1 76 76 ARG C C 76 174.562 174.562 176.291 -1.729 18411 13981 1 17 . 1 1 76 76 ARG CA C 76 58.885 58.885 58.789 0.096 18411 13982 1 17 . 1 1 76 76 ARG CB C 76 32.732 32.732 30.824 1.908 18411 13983 1 17 . 1 1 76 76 ARG H H 76 8.842 8.842 8.766 0.076 18411 13984 1 17 . 1 1 77 77 ASP N N 77 128.451 128.451 113.967 14.484 18411 13985 1 17 . 1 1 77 77 ASP HA H 77 4.473 4.473 5.145 -0.672 18411 13986 1 17 . 1 1 77 77 ASP C C 77 173.969 173.969 176.281 -2.312 18411 13987 1 17 . 1 1 77 77 ASP CA C 77 56.139 56.139 54.613 1.526 18411 13988 1 17 . 1 1 77 77 ASP CB C 77 42.541 42.541 44.048 -1.507 18411 13989 1 17 . 1 1 77 77 ASP H H 77 8.256 8.256 8.668 -0.412 18411 13990 1 17 . 1 1 78 78 GLU N N 78 114.796 114.796 122.315 -7.519 18411 13991 1 17 . 1 1 78 78 GLU HA H 78 5.060 5.060 4.429 0.631 18411 13992 1 17 . 1 1 78 78 GLU C C 78 174.225 174.225 174.875 -0.650 18411 13993 1 17 . 1 1 78 78 GLU CA C 78 54.220 54.220 55.110 -0.890 18411 13994 1 17 . 1 1 78 78 GLU CB C 78 32.842 32.842 29.072 3.770 18411 13995 1 17 . 1 1 78 78 GLU H H 78 8.010 8.010 8.791 -0.781 18411 13996 1 17 . 1 1 79 79 PRO HA H 79 4.579 4.579 4.594 -0.015 18411 13997 1 17 . 1 1 79 79 PRO C C 79 177.508 177.508 177.847 -0.339 18411 13998 1 17 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.242 -0.175 18411 13999 1 17 . 1 1 79 79 PRO CB C 79 33.096 33.096 32.695 0.401 18411 14000 1 17 . 1 1 80 80 LEU N N 80 122.209 122.209 121.519 0.690 18411 14001 1 17 . 1 1 80 80 LEU HA H 80 3.927 3.927 3.876 0.051 18411 14002 1 17 . 1 1 80 80 LEU C C 80 177.847 177.847 178.849 -1.002 18411 14003 1 17 . 1 1 80 80 LEU CA C 80 59.188 59.188 59.383 -0.195 18411 14004 1 17 . 1 1 80 80 LEU CB C 80 42.001 42.001 41.056 0.945 18411 14005 1 17 . 1 1 80 80 LEU H H 80 8.943 8.943 8.433 0.510 18411 14006 1 17 . 1 1 81 81 GLU N N 81 115.361 115.361 117.080 -1.719 18411 14007 1 17 . 1 1 81 81 GLU HA H 81 3.999 3.999 3.967 0.032 18411 14008 1 17 . 1 1 81 81 GLU C C 81 180.044 180.044 179.118 0.926 18411 14009 1 17 . 1 1 81 81 GLU CA C 81 60.552 60.552 59.272 1.280 18411 14010 1 17 . 1 1 81 81 GLU CB C 81 28.723 28.723 28.815 -0.092 18411 14011 1 17 . 1 1 81 81 GLU H H 81 9.534 9.534 9.057 0.477 18411 14012 1 17 . 1 1 82 82 LYS N N 82 118.582 118.582 119.699 -1.117 18411 14013 1 17 . 1 1 82 82 LYS HA H 82 4.183 4.183 4.240 -0.057 18411 14014 1 17 . 1 1 82 82 LYS C C 82 179.226 179.226 179.146 0.080 18411 14015 1 17 . 1 1 82 82 LYS CA C 82 58.248 58.248 58.765 -0.517 18411 14016 1 17 . 1 1 82 82 LYS CB C 82 32.912 32.912 32.733 0.179 18411 14017 1 17 . 1 1 82 82 LYS H H 82 7.332 7.332 7.455 -0.123 18411 14018 1 17 . 1 1 83 83 VAL N N 83 122.971 122.971 121.455 1.516 18411 14019 1 17 . 1 1 83 83 VAL HA H 83 3.554 3.554 3.740 -0.186 18411 14020 1 17 . 1 1 83 83 VAL C C 83 178.331 178.331 178.185 0.146 18411 14021 1 17 . 1 1 83 83 VAL CA C 83 67.063 67.063 66.358 0.705 18411 14022 1 17 . 1 1 83 83 VAL CB C 83 31.497 31.497 31.015 0.482 18411 14023 1 17 . 1 1 83 83 VAL H H 83 7.743 7.743 8.059 -0.316 18411 14024 1 17 . 1 1 84 84 LEU N N 84 119.209 119.209 120.242 -1.033 18411 14025 1 17 . 1 1 84 84 LEU HA H 84 4.030 4.030 3.967 0.063 18411 14026 1 17 . 1 1 84 84 LEU C C 84 180.647 180.647 179.080 1.567 18411 14027 1 17 . 1 1 84 84 LEU CA C 84 57.975 57.975 58.151 -0.176 18411 14028 1 17 . 1 1 84 84 LEU CB C 84 42.010 42.010 40.039 1.971 18411 14029 1 17 . 1 1 84 84 LEU H H 84 8.706 8.706 8.744 -0.038 18411 14030 1 17 . 1 1 85 85 ALA N N 85 120.801 120.801 122.205 -1.404 18411 14031 1 17 . 1 1 85 85 ALA HA H 85 4.198 4.198 4.001 0.197 18411 14032 1 17 . 1 1 85 85 ALA C C 85 180.253 180.253 179.607 0.646 18411 14033 1 17 . 1 1 85 85 ALA CA C 85 54.947 54.947 55.062 -0.115 18411 14034 1 17 . 1 1 85 85 ALA CB C 85 17.973 17.973 18.254 -0.281 18411 14035 1 17 . 1 1 85 85 ALA H H 85 7.440 7.440 7.517 -0.077 18411 14036 1 17 . 1 1 86 86 PHE N N 86 123.035 123.035 120.034 3.001 18411 14037 1 17 . 1 1 86 86 PHE HA H 86 4.905 4.905 4.073 0.832 18411 14038 1 17 . 1 1 86 86 PHE C C 86 179.015 179.015 177.048 1.967 18411 14039 1 17 . 1 1 86 86 PHE CA C 86 56.648 56.648 61.223 -4.575 18411 14040 1 17 . 1 1 86 86 PHE CB C 86 39.249 39.249 39.099 0.150 18411 14041 1 17 . 1 1 86 86 PHE H H 86 8.040 8.040 8.407 -0.367 18411 14042 1 17 . 1 1 87 87 ALA N N 87 123.932 123.932 122.906 1.026 18411 14043 1 17 . 1 1 87 87 ALA HA H 87 3.480 3.480 3.899 -0.419 18411 14044 1 17 . 1 1 87 87 ALA C C 87 179.800 179.800 178.972 0.828 18411 14045 1 17 . 1 1 87 87 ALA CA C 87 55.183 55.183 54.654 0.529 18411 14046 1 17 . 1 1 87 87 ALA CB C 87 17.602 17.602 18.346 -0.744 18411 14047 1 17 . 1 1 87 87 ALA H H 87 8.453 8.453 8.485 -0.032 18411 14048 1 17 . 1 1 88 88 LYS N N 88 116.535 116.535 117.297 -0.762 18411 14049 1 17 . 1 1 88 88 LYS HA H 88 4.030 4.030 3.962 0.068 18411 14050 1 17 . 1 1 88 88 LYS C C 88 179.562 179.562 177.995 1.567 18411 14051 1 17 . 1 1 88 88 LYS CA C 88 59.063 59.063 58.761 0.302 18411 14052 1 17 . 1 1 88 88 LYS CB C 88 32.466 32.466 32.380 0.086 18411 14053 1 17 . 1 1 88 88 LYS H H 88 7.664 7.664 8.230 -0.566 18411 14054 1 17 . 1 1 89 89 SER N N 89 113.619 113.619 112.603 1.016 18411 14055 1 17 . 1 1 89 89 SER HA H 89 4.271 4.271 4.518 -0.247 18411 14056 1 17 . 1 1 89 89 SER C C 89 177.004 177.004 174.790 2.214 18411 14057 1 17 . 1 1 89 89 SER CA C 89 61.139 61.139 59.619 1.520 18411 14058 1 17 . 1 1 89 89 SER CB C 89 63.327 63.327 63.773 -0.446 18411 14059 1 17 . 1 1 89 89 SER H H 89 8.417 8.417 7.591 0.826 18411 14060 1 17 . 1 1 90 90 THR N N 90 109.601 109.601 111.386 -1.785 18411 14061 1 17 . 1 1 90 90 THR HA H 90 4.287 4.287 4.433 -0.146 18411 14062 1 17 . 1 1 90 90 THR C C 90 176.074 176.074 174.729 1.345 18411 14063 1 17 . 1 1 90 90 THR CA C 90 62.926 62.926 61.324 1.602 18411 14064 1 17 . 1 1 90 90 THR CB C 90 70.563 70.563 70.369 0.194 18411 14065 1 17 . 1 1 90 90 THR H H 90 7.710 7.710 7.394 0.316 18411 14066 1 17 . 1 1 91 91 GLY N N 91 110.243 110.243 110.529 -0.286 18411 14067 1 17 . 1 1 91 91 GLY C C 91 174.815 174.815 174.100 0.715 18411 14068 1 17 . 1 1 91 91 GLY CA C 91 46.042 46.042 45.521 0.521 18411 14069 1 17 . 1 1 91 91 GLY H H 91 7.609 7.609 7.587 0.022 18411 14070 1 17 . 1 1 92 92 VAL N N 92 112.099 112.099 121.041 -8.942 18411 14071 1 17 . 1 1 92 92 VAL HA H 92 4.309 4.309 3.723 0.586 18411 14072 1 17 . 1 1 92 92 VAL C C 92 178.372 178.372 175.728 2.644 18411 14073 1 17 . 1 1 92 92 VAL CA C 92 60.696 60.696 62.616 -1.920 18411 14074 1 17 . 1 1 92 92 VAL CB C 92 32.337 32.337 31.853 0.484 18411 14075 1 17 . 1 1 92 92 VAL H H 92 7.046 7.046 7.451 -0.405 18411 14076 1 17 . 1 1 93 93 THR N N 93 114.289 114.289 119.312 -5.023 18411 14077 1 17 . 1 1 93 93 THR HA H 93 4.457 4.457 4.337 0.120 18411 14078 1 17 . 1 1 93 93 THR C C 93 175.115 175.115 174.465 0.650 18411 14079 1 17 . 1 1 93 93 THR CA C 93 61.280 61.280 61.882 -0.602 18411 14080 1 17 . 1 1 93 93 THR CB C 93 70.314 70.314 70.441 -0.127 18411 14081 1 17 . 1 1 93 93 THR H H 93 10.844 10.844 9.290 1.554 18411 14082 1 17 . 1 1 94 94 TYR N N 94 122.050 122.050 122.373 -0.323 18411 14083 1 17 . 1 1 94 94 TYR HA H 94 3.740 3.740 4.120 -0.380 18411 14084 1 17 . 1 1 94 94 TYR C C 94 171.563 171.563 173.766 -2.203 18411 14085 1 17 . 1 1 94 94 TYR CA C 94 53.080 53.080 54.072 -0.992 18411 14086 1 17 . 1 1 94 94 TYR CB C 94 34.195 34.195 35.877 -1.682 18411 14087 1 17 . 1 1 94 94 TYR H H 94 6.391 6.391 7.009 -0.618 18411 14088 1 17 . 1 1 95 95 PRO HA H 95 4.105 4.105 4.305 -0.200 18411 14089 1 17 . 1 1 95 95 PRO C C 95 175.152 175.152 175.569 -0.417 18411 14090 1 17 . 1 1 95 95 PRO CA C 95 63.799 63.799 62.940 0.859 18411 14091 1 17 . 1 1 95 95 PRO CB C 95 32.919 32.919 32.219 0.700 18411 14092 1 17 . 1 1 96 96 LEU N N 96 122.325 122.325 123.509 -1.184 18411 14093 1 17 . 1 1 96 96 LEU HA H 96 5.143 5.143 5.123 0.020 18411 14094 1 17 . 1 1 96 96 LEU C C 96 176.072 176.072 176.613 -0.541 18411 14095 1 17 . 1 1 96 96 LEU CA C 96 52.794 52.794 53.614 -0.820 18411 14096 1 17 . 1 1 96 96 LEU CB C 96 45.567 45.567 44.935 0.632 18411 14097 1 17 . 1 1 96 96 LEU H H 96 8.256 8.256 8.394 -0.138 18411 14098 1 17 . 1 1 97 97 GLY N N 97 107.295 107.295 109.261 -1.966 18411 14099 1 17 . 1 1 97 97 GLY C C 97 171.546 171.546 172.823 -1.277 18411 14100 1 17 . 1 1 97 97 GLY CA C 97 44.069 44.069 43.692 0.377 18411 14101 1 17 . 1 1 97 97 GLY H H 97 9.177 9.177 9.183 -0.006 18411 14102 1 17 . 1 1 98 98 LEU N N 98 118.550 118.550 118.805 -0.255 18411 14103 1 17 . 1 1 98 98 LEU HA H 98 4.872 4.872 4.789 0.083 18411 14104 1 17 . 1 1 98 98 LEU C C 98 176.132 176.132 174.850 1.282 18411 14105 1 17 . 1 1 98 98 LEU CA C 98 54.460 54.460 52.639 1.821 18411 14106 1 17 . 1 1 98 98 LEU CB C 98 43.567 43.567 42.635 0.933 18411 14107 1 17 . 1 1 98 98 LEU H H 98 8.106 8.106 8.518 -0.412 18411 14108 1 17 . 1 1 99 99 ASP N N 99 118.061 118.061 121.350 -3.289 18411 14109 1 17 . 1 1 99 99 ASP HA H 99 5.403 5.403 5.144 0.259 18411 14110 1 17 . 1 1 99 99 ASP C C 99 175.069 175.069 174.273 0.796 18411 14111 1 17 . 1 1 99 99 ASP CA C 99 51.057 51.057 50.464 0.593 18411 14112 1 17 . 1 1 99 99 ASP CB C 99 42.069 42.069 42.617 -0.548 18411 14113 1 17 . 1 1 99 99 ASP H H 99 8.481 8.481 8.378 0.103 18411 14114 1 17 . 1 1 100 100 PRO HA H 100 4.564 4.564 4.661 -0.097 18411 14115 1 17 . 1 1 100 100 PRO C C 100 179.600 179.600 177.398 2.202 18411 14116 1 17 . 1 1 100 100 PRO CA C 100 64.020 64.020 63.357 0.663 18411 14117 1 17 . 1 1 100 100 PRO CB C 100 31.455 31.455 30.806 0.649 18411 14118 1 17 . 1 1 101 101 GLY N N 101 114.780 114.780 112.175 2.605 18411 14119 1 17 . 1 1 101 101 GLY C C 101 173.600 173.600 174.088 -0.488 18411 14120 1 17 . 1 1 101 101 GLY CA C 101 46.175 46.175 44.706 1.469 18411 14121 1 17 . 1 1 101 101 GLY H H 101 9.045 9.045 8.285 0.760 18411 14122 1 17 . 1 1 102 102 ALA N N 102 117.089 117.089 120.871 -3.782 18411 14123 1 17 . 1 1 102 102 ALA HA H 102 4.376 4.376 4.148 0.228 18411 14124 1 17 . 1 1 102 102 ALA C C 102 175.955 175.955 177.094 -1.139 18411 14125 1 17 . 1 1 102 102 ALA CA C 102 52.693 52.693 52.801 -0.108 18411 14126 1 17 . 1 1 102 102 ALA CB C 102 18.256 18.256 17.248 1.008 18411 14127 1 17 . 1 1 102 102 ALA H H 102 8.257 8.257 7.897 0.360 18411 14128 1 17 . 1 1 103 103 ASP N N 103 118.691 118.691 118.890 -0.199 18411 14129 1 17 . 1 1 103 103 ASP HA H 103 4.444 4.444 4.510 -0.066 18411 14130 1 17 . 1 1 103 103 ASP C C 103 179.021 179.021 177.834 1.187 18411 14131 1 17 . 1 1 103 103 ASP CA C 103 57.935 57.935 57.122 0.813 18411 14132 1 17 . 1 1 103 103 ASP CB C 103 41.368 41.368 41.429 -0.061 18411 14133 1 17 . 1 1 103 103 ASP H H 103 6.739 6.739 8.313 -1.574 18411 14134 1 17 . 1 1 104 104 ILE N N 104 126.075 126.075 119.767 6.308 18411 14135 1 17 . 1 1 104 104 ILE HA H 104 3.682 3.682 3.762 -0.080 18411 14136 1 17 . 1 1 104 104 ILE C C 104 179.321 179.321 177.473 1.848 18411 14137 1 17 . 1 1 104 104 ILE CA C 104 66.522 66.522 64.687 1.835 18411 14138 1 17 . 1 1 104 104 ILE CB C 104 36.754 36.754 38.062 -1.308 18411 14139 1 17 . 1 1 104 104 ILE H H 104 11.476 11.476 8.392 3.084 18411 14140 1 17 . 1 1 105 105 PHE N N 105 124.513 124.513 120.353 4.160 18411 14141 1 17 . 1 1 105 105 PHE HA H 105 3.646 3.646 3.637 0.009 18411 14142 1 17 . 1 1 105 105 PHE C C 105 177.818 177.818 176.269 1.549 18411 14143 1 17 . 1 1 105 105 PHE CA C 105 62.948 62.948 61.419 1.528 18411 14144 1 17 . 1 1 105 105 PHE CB C 105 38.350 38.350 39.166 -0.816 18411 14145 1 17 . 1 1 105 105 PHE H H 105 9.473 9.473 9.185 0.288 18411 14146 1 17 . 1 1 106 106 ALA N N 106 115.835 115.835 119.894 -4.059 18411 14147 1 17 . 1 1 106 106 ALA HA H 106 4.927 4.927 4.598 0.329 18411 14148 1 17 . 1 1 106 106 ALA C C 106 179.271 179.271 178.515 0.756 18411 14149 1 17 . 1 1 106 106 ALA CA C 106 52.672 52.672 53.569 -0.897 18411 14150 1 17 . 1 1 106 106 ALA CB C 106 19.093 19.093 18.657 0.436 18411 14151 1 17 . 1 1 106 106 ALA H H 106 8.418 8.418 7.494 0.924 18411 14152 1 17 . 1 1 107 107 LYS N N 107 116.823 116.823 116.377 0.446 18411 14153 1 17 . 1 1 107 107 LYS HA H 107 4.145 4.145 4.003 0.142 18411 14154 1 17 . 1 1 107 107 LYS C C 107 176.006 176.006 177.406 -1.400 18411 14155 1 17 . 1 1 107 107 LYS CA C 107 57.980 57.980 57.978 0.002 18411 14156 1 17 . 1 1 107 107 LYS CB C 107 33.041 33.041 32.264 0.777 18411 14157 1 17 . 1 1 107 107 LYS H H 107 8.106 8.106 7.710 0.396 18411 14158 1 17 . 1 1 108 108 TYR N N 108 114.793 114.793 113.990 0.803 18411 14159 1 17 . 1 1 108 108 TYR HA H 108 4.311 4.311 4.488 -0.177 18411 14160 1 17 . 1 1 108 108 TYR C C 108 176.010 176.010 174.801 1.209 18411 14161 1 17 . 1 1 108 108 TYR CA C 108 59.270 59.270 58.580 0.690 18411 14162 1 17 . 1 1 108 108 TYR CB C 108 40.965 40.965 40.279 0.686 18411 14163 1 17 . 1 1 108 108 TYR H H 108 7.811 7.811 7.492 0.319 18411 14164 1 17 . 1 1 109 109 ALA N N 109 125.709 125.709 119.399 6.310 18411 14165 1 17 . 1 1 109 109 ALA HA H 109 4.760 4.760 4.499 0.261 18411 14166 1 17 . 1 1 109 109 ALA C C 109 174.711 174.711 174.754 -0.043 18411 14167 1 17 . 1 1 109 109 ALA CA C 109 50.276 50.276 51.577 -1.301 18411 14168 1 17 . 1 1 109 109 ALA CB C 109 21.924 21.924 20.149 1.775 18411 14169 1 17 . 1 1 109 109 ALA H H 109 8.595 8.595 7.530 1.065 18411 14170 1 17 . 1 1 110 110 LEU N N 110 117.834 117.834 119.873 -2.039 18411 14171 1 17 . 1 1 110 110 LEU HA H 110 4.137 4.137 4.351 -0.214 18411 14172 1 17 . 1 1 110 110 LEU C C 110 179.153 179.153 178.469 0.684 18411 14173 1 17 . 1 1 110 110 LEU CA C 110 55.164 55.164 55.387 -0.223 18411 14174 1 17 . 1 1 110 110 LEU CB C 110 42.292 42.292 42.217 0.075 18411 14175 1 17 . 1 1 110 110 LEU H H 110 7.814 7.814 8.486 -0.672 18411 14176 1 17 . 1 1 111 111 ARG N N 111 119.787 119.787 122.974 -3.187 18411 14177 1 17 . 1 1 111 111 ARG HA H 111 3.916 3.916 4.103 -0.187 18411 14178 1 17 . 1 1 111 111 ARG C C 111 176.962 176.962 177.349 -0.387 18411 14179 1 17 . 1 1 111 111 ARG CA C 111 60.538 60.538 59.645 0.893 18411 14180 1 17 . 1 1 111 111 ARG CB C 111 30.424 30.424 29.971 0.453 18411 14181 1 17 . 1 1 111 111 ARG H H 111 8.655 8.655 8.875 -0.220 18411 14182 1 17 . 1 1 112 112 ASP N N 112 113.338 113.338 117.367 -4.029 18411 14183 1 17 . 1 1 112 112 ASP HA H 112 4.662 4.662 4.570 0.092 18411 14184 1 17 . 1 1 112 112 ASP C C 112 176.387 176.387 175.884 0.503 18411 14185 1 17 . 1 1 112 112 ASP CA C 112 52.833 52.833 54.212 -1.379 18411 14186 1 17 . 1 1 112 112 ASP CB C 112 40.135 40.135 39.261 0.873 18411 14187 1 17 . 1 1 112 112 ASP H H 112 8.205 8.205 8.566 -0.361 18411 14188 1 17 . 1 1 113 113 ALA N N 113 122.885 122.885 122.001 0.884 18411 14189 1 17 . 1 1 113 113 ALA HA H 113 4.347 4.347 4.486 -0.139 18411 14190 1 17 . 1 1 113 113 ALA C C 113 177.740 177.740 176.504 1.236 18411 14191 1 17 . 1 1 113 113 ALA CA C 113 51.983 51.983 52.299 -0.316 18411 14192 1 17 . 1 1 113 113 ALA CB C 113 20.558 20.558 19.475 1.083 18411 14193 1 17 . 1 1 113 113 ALA H H 113 7.919 7.919 7.693 0.226 18411 14194 1 17 . 1 1 114 114 GLY CA C 114 45.480 45.480 44.584 0.896 18411 14195 1 17 . 1 1 115 115 ILE N N 115 122.165 122.165 119.905 2.260 18411 14196 1 17 . 1 1 115 115 ILE HA H 115 4.119 4.119 4.624 -0.505 18411 14197 1 17 . 1 1 115 115 ILE CA C 115 60.788 60.788 60.894 -0.106 18411 14198 1 17 . 1 1 115 115 ILE CB C 115 39.651 39.651 41.401 -1.750 18411 14199 1 17 . 1 1 115 115 ILE H H 115 8.253 8.253 8.279 -0.026 18411 14200 1 17 . 1 1 116 116 THR N N 116 110.198 110.198 119.487 -9.289 18411 14201 1 17 . 1 1 116 116 THR HA H 116 4.101 4.101 4.243 -0.142 18411 14202 1 17 . 1 1 116 116 THR CA C 116 62.947 62.947 63.013 -0.066 18411 14203 1 17 . 1 1 116 116 THR CB C 116 69.031 69.031 67.632 1.399 18411 14204 1 17 . 1 1 116 116 THR H H 116 7.033 7.033 8.634 -1.601 18411 14205 1 17 . 1 1 117 117 ARG N N 117 130.624 130.624 122.367 8.257 18411 14206 1 17 . 1 1 117 117 ARG HA H 117 4.997 4.997 5.132 -0.135 18411 14207 1 17 . 1 1 117 117 ARG C C 117 173.296 173.296 174.277 -0.981 18411 14208 1 17 . 1 1 117 117 ARG CA C 117 56.468 56.468 54.977 1.491 18411 14209 1 17 . 1 1 117 117 ARG CB C 117 31.949 31.949 33.998 -2.049 18411 14210 1 17 . 1 1 117 117 ARG H H 117 8.250 8.250 7.934 0.316 18411 14211 1 17 . 1 1 118 118 ASN N N 118 118.226 118.226 121.443 -3.217 18411 14212 1 17 . 1 1 118 118 ASN HA H 118 6.127 6.127 5.331 0.796 18411 14213 1 17 . 1 1 118 118 ASN C C 118 173.805 173.805 174.130 -0.325 18411 14214 1 17 . 1 1 118 118 ASN CA C 118 51.759 51.759 53.182 -1.423 18411 14215 1 17 . 1 1 118 118 ASN CB C 118 41.892 41.892 41.186 0.706 18411 14216 1 17 . 1 1 118 118 ASN H H 118 7.730 7.730 9.108 -1.378 18411 14217 1 17 . 1 1 119 119 VAL N N 119 120.477 120.477 125.094 -4.617 18411 14218 1 17 . 1 1 119 119 VAL HA H 119 4.766 4.766 4.813 -0.047 18411 14219 1 17 . 1 1 119 119 VAL C C 119 173.809 173.809 174.054 -0.245 18411 14220 1 17 . 1 1 119 119 VAL CA C 119 60.808 60.808 61.153 -0.345 18411 14221 1 17 . 1 1 119 119 VAL CB C 119 35.887 35.887 33.756 2.131 18411 14222 1 17 . 1 1 119 119 VAL H H 119 9.269 9.269 9.288 -0.019 18411 14223 1 17 . 1 1 120 120 LEU N N 120 128.017 128.017 130.454 -2.437 18411 14224 1 17 . 1 1 120 120 LEU HA H 120 5.350 5.350 4.766 0.584 18411 14225 1 17 . 1 1 120 120 LEU C C 120 174.606 174.606 174.662 -0.056 18411 14226 1 17 . 1 1 120 120 LEU CA C 120 53.563 53.563 53.701 -0.138 18411 14227 1 17 . 1 1 120 120 LEU CB C 120 46.211 46.211 44.099 2.112 18411 14228 1 17 . 1 1 120 120 LEU H H 120 8.829 8.829 8.258 0.571 18411 14229 1 17 . 1 1 121 121 ILE N N 121 131.629 131.629 127.745 3.884 18411 14230 1 17 . 1 1 121 121 ILE HA H 121 4.799 4.799 4.950 -0.151 18411 14231 1 17 . 1 1 121 121 ILE C C 121 174.731 174.731 175.767 -1.036 18411 14232 1 17 . 1 1 121 121 ILE CA C 121 60.450 60.450 60.173 0.277 18411 14233 1 17 . 1 1 121 121 ILE CB C 121 41.651 41.651 39.307 2.344 18411 14234 1 17 . 1 1 121 121 ILE H H 121 9.659 9.659 9.150 0.509 18411 14235 1 17 . 1 1 122 122 ASP N N 122 124.197 124.197 125.444 -1.247 18411 14236 1 17 . 1 1 122 122 ASP HA H 122 4.513 4.513 4.796 -0.283 18411 14237 1 17 . 1 1 122 122 ASP C C 122 177.586 177.586 177.023 0.563 18411 14238 1 17 . 1 1 122 122 ASP CA C 122 52.442 52.442 53.158 -0.716 18411 14239 1 17 . 1 1 122 122 ASP CB C 122 41.476 41.476 41.387 0.089 18411 14240 1 17 . 1 1 122 122 ASP H H 122 9.128 9.128 9.075 0.053 18411 14241 1 17 . 1 1 123 123 ARG N N 123 113.396 113.396 117.088 -3.692 18411 14242 1 17 . 1 1 123 123 ARG HA H 123 4.186 4.186 4.191 -0.005 18411 14243 1 17 . 1 1 123 123 ARG C C 123 178.717 178.717 177.970 0.747 18411 14244 1 17 . 1 1 123 123 ARG CA C 123 58.243 58.243 58.933 -0.690 18411 14245 1 17 . 1 1 123 123 ARG CB C 123 30.783 30.783 29.892 0.891 18411 14246 1 17 . 1 1 123 123 ARG H H 123 7.870 7.870 8.700 -0.830 18411 14247 1 17 . 1 1 124 124 GLU N N 124 117.427 117.427 119.318 -1.891 18411 14248 1 17 . 1 1 124 124 GLU HA H 124 4.310 4.310 4.209 0.101 18411 14249 1 17 . 1 1 124 124 GLU C C 124 176.034 176.034 176.971 -0.937 18411 14250 1 17 . 1 1 124 124 GLU CA C 124 56.164 56.164 57.660 -1.496 18411 14251 1 17 . 1 1 124 124 GLU CB C 124 30.541 30.541 29.513 1.028 18411 14252 1 17 . 1 1 124 124 GLU H H 124 8.155 8.155 8.308 -0.153 18411 14253 1 17 . 1 1 125 125 GLY N N 125 105.681 105.681 105.710 -0.029 18411 14254 1 17 . 1 1 125 125 GLY C C 125 174.204 174.204 173.711 0.493 18411 14255 1 17 . 1 1 125 125 GLY CA C 125 45.160 45.160 44.881 0.279 18411 14256 1 17 . 1 1 125 125 GLY H H 125 8.094 8.094 8.134 -0.040 18411 14257 1 17 . 1 1 126 126 LYS N N 126 122.326 122.326 120.382 1.944 18411 14258 1 17 . 1 1 126 126 LYS HA H 126 4.647 4.647 4.921 -0.274 18411 14259 1 17 . 1 1 126 126 LYS C C 126 176.390 176.390 175.404 0.986 18411 14260 1 17 . 1 1 126 126 LYS CA C 126 55.393 55.393 54.897 0.496 18411 14261 1 17 . 1 1 126 126 LYS CB C 126 33.569 33.569 35.145 -1.576 18411 14262 1 17 . 1 1 126 126 LYS H H 126 8.502 8.502 8.532 -0.030 18411 14263 1 17 . 1 1 127 127 ILE N N 127 121.946 121.946 121.654 0.292 18411 14264 1 17 . 1 1 127 127 ILE HA H 127 4.048 4.048 4.668 -0.620 18411 14265 1 17 . 1 1 127 127 ILE C C 127 177.735 177.735 176.793 0.942 18411 14266 1 17 . 1 1 127 127 ILE CA C 127 63.200 63.200 61.482 1.718 18411 14267 1 17 . 1 1 127 127 ILE CB C 127 38.106 38.106 38.302 -0.196 18411 14268 1 17 . 1 1 127 127 ILE H H 127 8.739 8.739 9.011 -0.272 18411 14269 1 17 . 1 1 128 128 VAL N N 128 122.026 122.026 122.274 -0.248 18411 14270 1 17 . 1 1 128 128 VAL HA H 128 4.695 4.695 4.332 0.363 18411 14271 1 17 . 1 1 128 128 VAL C C 128 175.968 175.968 175.301 0.667 18411 14272 1 17 . 1 1 128 128 VAL CA C 128 61.535 61.535 62.145 -0.610 18411 14273 1 17 . 1 1 128 128 VAL CB C 128 33.996 33.996 32.834 1.162 18411 14274 1 17 . 1 1 128 128 VAL H H 128 9.397 9.397 8.872 0.525 18411 14275 1 17 . 1 1 129 129 LYS N N 129 121.635 121.635 120.467 1.168 18411 14276 1 17 . 1 1 129 129 LYS HA H 129 4.359 4.359 4.570 -0.211 18411 14277 1 17 . 1 1 129 129 LYS C C 129 172.896 172.896 174.131 -1.235 18411 14278 1 17 . 1 1 129 129 LYS CA C 129 57.322 57.322 54.628 2.694 18411 14279 1 17 . 1 1 129 129 LYS CB C 129 36.802 36.802 35.262 1.540 18411 14280 1 17 . 1 1 129 129 LYS H H 129 7.708 7.708 7.401 0.307 18411 14281 1 17 . 1 1 130 130 LEU N N 130 126.219 126.219 126.330 -0.111 18411 14282 1 17 . 1 1 130 130 LEU HA H 130 5.140 5.140 5.134 0.006 18411 14283 1 17 . 1 1 130 130 LEU C C 130 176.956 176.956 176.894 0.062 18411 14284 1 17 . 1 1 130 130 LEU CA C 130 53.572 53.572 54.097 -0.526 18411 14285 1 17 . 1 1 130 130 LEU CB C 130 44.700 44.700 43.604 1.096 18411 14286 1 17 . 1 1 130 130 LEU H H 130 8.301 8.301 8.563 -0.262 18411 14287 1 17 . 1 1 131 131 THR N N 131 113.484 113.484 121.422 -7.938 18411 14288 1 17 . 1 1 131 131 THR HA H 131 5.136 5.136 4.932 0.204 18411 14289 1 17 . 1 1 131 131 THR C C 131 175.492 175.492 173.537 1.955 18411 14290 1 17 . 1 1 131 131 THR CA C 131 61.033 61.033 60.680 0.353 18411 14291 1 17 . 1 1 131 131 THR CB C 131 70.922 70.922 71.434 -0.512 18411 14292 1 17 . 1 1 131 131 THR H H 131 9.298 9.298 8.855 0.443 18411 14293 1 17 . 1 1 132 132 ARG HA H 132 5.150 5.150 4.576 0.574 18411 14294 1 17 . 1 1 132 132 ARG CA C 132 55.585 55.585 55.194 0.391 18411 14295 1 17 . 1 1 132 132 ARG CB C 132 33.035 33.035 29.859 3.176 18411 14296 1 17 . 1 1 133 133 LEU N N 133 118.967 118.967 119.859 -0.892 18411 14297 1 17 . 1 1 133 133 LEU HA H 133 4.302 4.302 4.022 0.280 18411 14298 1 17 . 1 1 133 133 LEU CA C 133 56.200 56.200 55.325 0.875 18411 14299 1 17 . 1 1 133 133 LEU CB C 133 41.616 41.616 41.598 0.018 18411 14300 1 17 . 1 1 133 133 LEU H H 133 8.167 8.167 8.409 -0.242 18411 14301 1 17 . 1 1 134 134 TYR N N 134 124.816 124.816 121.339 3.477 18411 14302 1 17 . 1 1 134 134 TYR HA H 134 4.963 4.963 4.426 0.537 18411 14303 1 17 . 1 1 134 134 TYR CA C 134 57.154 57.154 58.323 -1.169 18411 14304 1 17 . 1 1 134 134 TYR CB C 134 38.948 38.948 37.749 1.199 18411 14305 1 17 . 1 1 134 134 TYR H H 134 7.805 7.805 8.413 -0.608 18411 14306 1 17 . 1 1 135 135 ASN HA H 135 4.415 4.415 4.725 -0.310 18411 14307 1 17 . 1 1 135 135 ASN CA C 135 51.995 51.995 51.788 0.207 18411 14308 1 17 . 1 1 135 135 ASN CB C 135 40.521 40.521 40.553 -0.032 18411 14309 1 17 . 1 1 136 136 GLU HA H 136 3.694 3.694 3.406 0.288 18411 14310 1 17 . 1 1 136 136 GLU C C 136 178.797 178.797 178.141 0.656 18411 14311 1 17 . 1 1 136 136 GLU CA C 136 61.052 61.052 60.547 0.505 18411 14312 1 17 . 1 1 136 136 GLU CB C 136 29.353 29.353 29.087 0.266 18411 14313 1 17 . 1 1 137 137 GLU N N 137 120.717 120.717 118.020 2.697 18411 14314 1 17 . 1 1 137 137 GLU HA H 137 4.176 4.176 4.037 0.139 18411 14315 1 17 . 1 1 137 137 GLU C C 137 179.707 179.707 179.515 0.192 18411 14316 1 17 . 1 1 137 137 GLU CA C 137 59.800 59.800 59.736 0.064 18411 14317 1 17 . 1 1 137 137 GLU CB C 137 29.284 29.284 28.915 0.369 18411 14318 1 17 . 1 1 137 137 GLU H H 137 8.364 8.364 8.851 -0.487 18411 14319 1 17 . 1 1 138 138 GLU N N 138 122.448 122.448 120.270 2.178 18411 14320 1 17 . 1 1 138 138 GLU HA H 138 4.190 4.190 4.096 0.094 18411 14321 1 17 . 1 1 138 138 GLU C C 138 179.927 179.927 178.886 1.041 18411 14322 1 17 . 1 1 138 138 GLU CA C 138 59.129 59.129 58.794 0.335 18411 14323 1 17 . 1 1 138 138 GLU CB C 138 30.064 30.064 29.531 0.533 18411 14324 1 17 . 1 1 138 138 GLU H H 138 8.448 8.448 7.631 0.817 18411 14325 1 17 . 1 1 139 139 PHE N N 139 122.454 122.454 121.126 1.328 18411 14326 1 17 . 1 1 139 139 PHE HA H 139 4.171 4.171 4.148 0.023 18411 14327 1 17 . 1 1 139 139 PHE C C 139 177.370 177.370 176.685 0.685 18411 14328 1 17 . 1 1 139 139 PHE CA C 139 62.690 62.690 61.463 1.227 18411 14329 1 17 . 1 1 139 139 PHE CB C 139 39.579 39.579 39.074 0.505 18411 14330 1 17 . 1 1 139 139 PHE H H 139 8.895 8.895 8.661 0.234 18411 14331 1 17 . 1 1 140 140 ALA N N 140 120.155 120.155 121.713 -1.558 18411 14332 1 17 . 1 1 140 140 ALA HA H 140 4.100 4.100 3.925 0.175 18411 14333 1 17 . 1 1 140 140 ALA C C 140 181.270 181.270 179.477 1.793 18411 14334 1 17 . 1 1 140 140 ALA CA C 140 55.203 55.203 55.489 -0.286 18411 14335 1 17 . 1 1 140 140 ALA CB C 140 17.716 17.716 17.925 -0.209 18411 14336 1 17 . 1 1 140 140 ALA H H 140 8.240 8.240 8.674 -0.434 18411 14337 1 17 . 1 1 141 141 SER N N 141 114.095 114.095 115.347 -1.252 18411 14338 1 17 . 1 1 141 141 SER HA H 141 4.267 4.267 4.178 0.089 18411 14339 1 17 . 1 1 141 141 SER C C 141 176.895 176.895 176.614 0.281 18411 14340 1 17 . 1 1 141 141 SER CA C 141 61.291 61.291 62.460 -1.169 18411 14341 1 17 . 1 1 141 141 SER CB C 141 62.690 62.690 62.798 -0.108 18411 14342 1 17 . 1 1 141 141 SER H H 141 7.835 7.835 7.973 -0.138 18411 14343 1 17 . 1 1 142 142 LEU N N 142 126.764 126.764 122.309 4.455 18411 14344 1 17 . 1 1 142 142 LEU HA H 142 3.908 3.908 3.876 0.032 18411 14345 1 17 . 1 1 142 142 LEU C C 142 176.876 176.876 178.379 -1.503 18411 14346 1 17 . 1 1 142 142 LEU CA C 142 58.757 58.757 58.061 0.696 18411 14347 1 17 . 1 1 142 142 LEU CB C 142 41.653 41.653 41.644 0.009 18411 14348 1 17 . 1 1 142 142 LEU H H 142 7.833 7.833 8.144 -0.311 18411 14349 1 17 . 1 1 143 143 VAL N N 143 119.066 119.066 118.616 0.450 18411 14350 1 17 . 1 1 143 143 VAL HA H 143 3.174 3.174 3.424 -0.250 18411 14351 1 17 . 1 1 143 143 VAL C C 143 178.479 178.479 177.936 0.543 18411 14352 1 17 . 1 1 143 143 VAL CA C 143 66.864 66.864 67.420 -0.556 18411 14353 1 17 . 1 1 143 143 VAL CB C 143 32.350 32.350 31.237 1.113 18411 14354 1 17 . 1 1 143 143 VAL H H 143 8.010 8.010 8.123 -0.113 18411 14355 1 17 . 1 1 144 144 GLN N N 144 118.170 118.170 118.132 0.038 18411 14356 1 17 . 1 1 144 144 GLN HA H 144 4.028 4.028 3.880 0.148 18411 14357 1 17 . 1 1 144 144 GLN C C 144 178.335 178.335 178.141 0.194 18411 14358 1 17 . 1 1 144 144 GLN CA C 144 59.591 59.591 59.205 0.386 18411 14359 1 17 . 1 1 144 144 GLN CB C 144 32.906 32.906 28.457 4.449 18411 14360 1 17 . 1 1 144 144 GLN H H 144 7.935 7.935 7.777 0.158 18411 14361 1 17 . 1 1 145 145 GLN N N 145 119.839 119.839 119.944 -0.105 18411 14362 1 17 . 1 1 145 145 GLN HA H 145 4.029 4.029 4.037 -0.008 18411 14363 1 17 . 1 1 145 145 GLN C C 145 178.686 178.686 178.451 0.235 18411 14364 1 17 . 1 1 145 145 GLN CA C 145 59.270 59.270 58.981 0.289 18411 14365 1 17 . 1 1 145 145 GLN CB C 145 27.587 27.587 28.654 -1.067 18411 14366 1 17 . 1 1 145 145 GLN H H 145 7.986 7.986 7.888 0.097 18411 14367 1 17 . 1 1 146 146 ILE N N 146 119.900 119.900 120.428 -0.528 18411 14368 1 17 . 1 1 146 146 ILE HA H 146 3.345 3.345 3.611 -0.266 18411 14369 1 17 . 1 1 146 146 ILE C C 146 177.393 177.393 178.271 -0.878 18411 14370 1 17 . 1 1 146 146 ILE CA C 146 66.902 66.902 64.137 2.765 18411 14371 1 17 . 1 1 146 146 ILE CB C 146 38.281 38.281 36.517 1.764 18411 14372 1 17 . 1 1 146 146 ILE H H 146 8.171 8.171 8.729 -0.558 18411 14373 1 17 . 1 1 147 147 ASN N N 147 116.163 116.163 118.010 -1.847 18411 14374 1 17 . 1 1 147 147 ASN HA H 147 4.196 4.196 4.121 0.075 18411 14375 1 17 . 1 1 147 147 ASN C C 147 179.035 179.035 177.928 1.107 18411 14376 1 17 . 1 1 147 147 ASN CA C 147 56.348 56.348 55.912 0.436 18411 14377 1 17 . 1 1 147 147 ASN CB C 147 38.062 38.062 37.915 0.147 18411 14378 1 17 . 1 1 147 147 ASN H H 147 7.896 7.896 8.140 -0.244 18411 14379 1 17 . 1 1 148 148 GLU N N 148 118.645 118.645 120.056 -1.411 18411 14380 1 17 . 1 1 148 148 GLU HA H 148 3.970 3.970 4.136 -0.166 18411 14381 1 17 . 1 1 148 148 GLU C C 148 179.964 179.964 178.546 1.418 18411 14382 1 17 . 1 1 148 148 GLU CA C 148 59.340 59.340 58.305 1.035 18411 14383 1 17 . 1 1 148 148 GLU CB C 148 29.572 29.572 29.178 0.394 18411 14384 1 17 . 1 1 148 148 GLU H H 148 8.311 8.311 7.663 0.648 18411 14385 1 17 . 1 1 149 149 MET N N 149 119.218 119.218 118.051 1.167 18411 14386 1 17 . 1 1 149 149 MET HA H 149 4.140 4.140 4.207 -0.067 18411 14387 1 17 . 1 1 149 149 MET C C 149 179.419 179.419 177.956 1.463 18411 14388 1 17 . 1 1 149 149 MET CA C 149 59.040 59.040 57.297 1.743 18411 14389 1 17 . 1 1 149 149 MET CB C 149 35.293 35.293 32.117 3.176 18411 14390 1 17 . 1 1 149 149 MET H H 149 8.527 8.527 8.281 0.246 18411 14391 1 17 . 1 1 150 150 LEU N N 150 118.078 118.078 115.639 2.439 18411 14392 1 17 . 1 1 150 150 LEU HA H 150 4.245 4.245 4.212 0.033 18411 14393 1 17 . 1 1 150 150 LEU C C 150 178.141 178.141 178.122 0.019 18411 14394 1 17 . 1 1 150 150 LEU CA C 150 55.824 55.824 56.218 -0.394 18411 14395 1 17 . 1 1 150 150 LEU CB C 150 41.533 41.533 41.717 -0.184 18411 14396 1 17 . 1 1 150 150 LEU H H 150 7.917 7.917 7.576 0.341 18411 14397 1 17 . 1 1 151 151 LYS N N 151 120.096 120.096 117.148 2.948 18411 14398 1 17 . 1 1 151 151 LYS HA H 151 4.181 4.181 4.074 0.107 18411 14399 1 17 . 1 1 151 151 LYS C C 151 177.029 177.029 176.607 0.422 18411 14400 1 17 . 1 1 151 151 LYS CA C 151 57.490 57.490 56.195 1.295 18411 14401 1 17 . 1 1 151 151 LYS CB C 151 32.921 32.921 33.708 -0.787 18411 14402 1 17 . 1 1 151 151 LYS H H 151 7.466 7.466 7.709 -0.243 18411 14403 1 17 . 1 1 152 152 GLU N N 152 120.188 120.188 119.166 1.022 18411 14404 1 17 . 1 1 152 152 GLU HA H 152 4.264 4.264 3.813 0.451 18411 14405 1 17 . 1 1 152 152 GLU C C 152 177.259 177.259 177.756 -0.497 18411 14406 1 17 . 1 1 152 152 GLU CA C 152 57.070 57.070 58.618 -1.548 18411 14407 1 17 . 1 1 152 152 GLU CB C 152 30.385 30.385 27.319 3.066 18411 14408 1 17 . 1 1 152 152 GLU H H 152 7.820 7.820 8.430 -0.610 18411 14409 1 17 . 1 1 153 153 GLY N N 153 109.046 109.046 108.557 0.489 18411 14410 1 17 . 1 1 153 153 GLY C C 153 174.204 174.204 174.595 -0.391 18411 14411 1 17 . 1 1 153 153 GLY CA C 153 45.327 45.327 44.925 0.402 18411 14412 1 17 . 1 1 153 153 GLY H H 153 8.278 8.278 8.606 -0.328 18411 14413 1 17 . 1 1 158 158 HIS HA H 158 4.606 4.606 4.211 0.395 18411 14414 1 17 . 1 1 158 158 HIS C C 158 174.423 174.423 174.216 0.207 18411 14415 1 17 . 1 1 158 158 HIS CA C 158 56.235 56.235 57.405 -1.170 18411 14416 1 17 . 1 1 158 158 HIS CB C 158 31.028 31.028 28.038 2.990 18411 14417 1 18 . 1 1 3 3 LEU HA H 3 3.930 3.930 3.961 -0.031 18411 14418 1 18 . 1 1 3 3 LEU CA C 3 58.669 58.669 57.307 1.362 18411 14419 1 18 . 1 1 3 3 LEU CB C 3 42.010 42.010 41.257 0.753 18411 14420 1 18 . 1 1 4 4 GLY C C 4 173.604 173.604 173.661 -0.057 18411 14421 1 18 . 1 1 4 4 GLY CA C 4 46.072 46.072 44.892 1.180 18411 14422 1 18 . 1 1 5 5 TYR N N 5 116.195 116.195 119.940 -3.745 18411 14423 1 18 . 1 1 5 5 TYR HA H 5 4.769 4.769 4.375 0.394 18411 14424 1 18 . 1 1 5 5 TYR C C 5 177.898 177.898 176.859 1.039 18411 14425 1 18 . 1 1 5 5 TYR CA C 5 60.102 60.102 58.402 1.700 18411 14426 1 18 . 1 1 5 5 TYR CB C 5 39.615 39.615 38.796 0.819 18411 14427 1 18 . 1 1 5 5 TYR H H 5 7.849 7.849 7.828 0.021 18411 14428 1 18 . 1 1 6 6 ILE N N 6 115.338 115.338 121.562 -6.224 18411 14429 1 18 . 1 1 6 6 ILE HA H 6 4.514 4.514 4.444 0.070 18411 14430 1 18 . 1 1 6 6 ILE C C 6 175.977 175.977 175.541 0.436 18411 14431 1 18 . 1 1 6 6 ILE CA C 6 61.623 61.623 61.700 -0.077 18411 14432 1 18 . 1 1 6 6 ILE CB C 6 38.270 38.270 39.239 -0.969 18411 14433 1 18 . 1 1 6 6 ILE H H 6 8.687 8.687 8.561 0.126 18411 14434 1 18 . 1 1 7 7 VAL N N 7 113.122 113.122 120.851 -7.729 18411 14435 1 18 . 1 1 7 7 VAL HA H 7 4.730 4.730 4.308 0.422 18411 14436 1 18 . 1 1 7 7 VAL C C 7 174.331 174.331 174.903 -0.572 18411 14437 1 18 . 1 1 7 7 VAL CA C 7 58.867 58.867 60.416 -1.549 18411 14438 1 18 . 1 1 7 7 VAL CB C 7 34.475 34.475 35.052 -0.577 18411 14439 1 18 . 1 1 7 7 VAL H H 7 6.845 6.845 7.427 -0.582 18411 14440 1 18 . 1 1 8 8 ARG N N 8 117.597 117.597 124.279 -6.682 18411 14441 1 18 . 1 1 8 8 ARG HA H 8 4.539 4.539 4.706 -0.167 18411 14442 1 18 . 1 1 8 8 ARG C C 8 175.618 175.618 175.413 0.205 18411 14443 1 18 . 1 1 8 8 ARG CA C 8 53.717 53.717 53.590 0.127 18411 14444 1 18 . 1 1 8 8 ARG CB C 8 34.126 34.126 32.972 1.154 18411 14445 1 18 . 1 1 8 8 ARG H H 8 7.978 7.978 8.759 -0.781 18411 14446 1 18 . 1 1 9 9 ILE N N 9 118.377 118.377 120.474 -2.097 18411 14447 1 18 . 1 1 9 9 ILE HA H 9 3.465 3.465 3.911 -0.446 18411 14448 1 18 . 1 1 9 9 ILE C C 9 177.771 177.771 177.481 0.290 18411 14449 1 18 . 1 1 9 9 ILE CA C 9 62.350 62.350 62.715 -0.365 18411 14450 1 18 . 1 1 9 9 ILE CB C 9 37.049 37.049 37.632 -0.583 18411 14451 1 18 . 1 1 9 9 ILE H H 9 8.085 8.085 8.392 -0.306 18411 14452 1 18 . 1 1 10 10 GLY N N 10 115.204 115.204 114.946 0.258 18411 14453 1 18 . 1 1 10 10 GLY C C 10 174.235 174.235 174.416 -0.181 18411 14454 1 18 . 1 1 10 10 GLY CA C 10 44.763 44.763 44.714 0.049 18411 14455 1 18 . 1 1 10 10 GLY H H 10 9.149 9.149 9.057 0.092 18411 14456 1 18 . 1 1 11 11 GLU N N 11 119.157 119.157 121.421 -2.264 18411 14457 1 18 . 1 1 11 11 GLU HA H 11 4.392 4.392 4.389 0.003 18411 14458 1 18 . 1 1 11 11 GLU C C 11 176.729 176.729 176.239 0.490 18411 14459 1 18 . 1 1 11 11 GLU CA C 11 55.108 55.108 56.103 -0.995 18411 14460 1 18 . 1 1 11 11 GLU CB C 11 31.473 31.473 30.271 1.202 18411 14461 1 18 . 1 1 11 11 GLU H H 11 7.631 7.631 7.712 -0.081 18411 14462 1 18 . 1 1 12 12 MET N N 12 119.646 119.646 120.900 -1.254 18411 14463 1 18 . 1 1 12 12 MET HA H 12 4.593 4.593 4.563 0.030 18411 14464 1 18 . 1 1 12 12 MET C C 12 177.162 177.162 176.759 0.403 18411 14465 1 18 . 1 1 12 12 MET CA C 12 54.475 54.475 53.532 0.943 18411 14466 1 18 . 1 1 12 12 MET CB C 12 30.749 30.749 31.125 -0.376 18411 14467 1 18 . 1 1 12 12 MET H H 12 8.566 8.566 8.473 0.093 18411 14468 1 18 . 1 1 13 13 ALA N N 13 129.735 129.735 129.301 0.434 18411 14469 1 18 . 1 1 13 13 ALA HA H 13 4.293 4.293 4.415 -0.122 18411 14470 1 18 . 1 1 13 13 ALA C C 13 175.992 175.992 176.754 -0.762 18411 14471 1 18 . 1 1 13 13 ALA CA C 13 50.676 50.676 51.168 -0.492 18411 14472 1 18 . 1 1 13 13 ALA CB C 13 18.125 18.125 18.438 -0.313 18411 14473 1 18 . 1 1 13 13 ALA H H 13 8.626 8.626 8.895 -0.269 18411 14474 1 18 . 1 1 14 14 PRO HA H 14 4.253 4.253 4.455 -0.202 18411 14475 1 18 . 1 1 14 14 PRO C C 14 176.066 176.066 176.165 -0.099 18411 14476 1 18 . 1 1 14 14 PRO CA C 14 63.478 63.478 62.036 1.442 18411 14477 1 18 . 1 1 14 14 PRO CB C 14 32.987 32.987 32.471 0.515 18411 14478 1 18 . 1 1 15 15 ASP N N 15 123.075 123.075 118.875 4.200 18411 14479 1 18 . 1 1 15 15 ASP HA H 15 4.700 4.700 4.499 0.201 18411 14480 1 18 . 1 1 15 15 ASP C C 15 176.067 176.067 175.286 0.781 18411 14481 1 18 . 1 1 15 15 ASP CA C 15 53.628 53.628 54.289 -0.661 18411 14482 1 18 . 1 1 15 15 ASP CB C 15 41.613 41.613 42.027 -0.414 18411 14483 1 18 . 1 1 15 15 ASP H H 15 8.373 8.373 8.283 0.090 18411 14484 1 18 . 1 1 16 16 PHE N N 16 114.256 114.256 111.919 2.337 18411 14485 1 18 . 1 1 16 16 PHE HA H 16 4.869 4.869 4.817 0.052 18411 14486 1 18 . 1 1 16 16 PHE C C 16 173.028 173.028 173.189 -0.161 18411 14487 1 18 . 1 1 16 16 PHE CA C 16 56.721 56.721 57.823 -1.102 18411 14488 1 18 . 1 1 16 16 PHE CB C 16 40.560 40.560 39.956 0.604 18411 14489 1 18 . 1 1 16 16 PHE H H 16 7.950 7.950 8.203 -0.253 18411 14490 1 18 . 1 1 17 17 THR N N 17 116.459 116.459 119.124 -2.665 18411 14491 1 18 . 1 1 17 17 THR HA H 17 5.244 5.244 5.345 -0.101 18411 14492 1 18 . 1 1 17 17 THR C C 17 172.722 172.722 173.737 -1.015 18411 14493 1 18 . 1 1 17 17 THR CA C 17 62.061 62.061 61.751 0.310 18411 14494 1 18 . 1 1 17 17 THR CB C 17 70.882 70.882 69.500 1.382 18411 14495 1 18 . 1 1 17 17 THR H H 17 8.596 8.596 8.543 0.053 18411 14496 1 18 . 1 1 18 18 ILE N N 18 128.165 128.165 126.901 1.264 18411 14497 1 18 . 1 1 18 18 ILE HA H 18 4.995 4.995 4.555 0.440 18411 14498 1 18 . 1 1 18 18 ILE C C 18 172.309 172.309 174.222 -1.913 18411 14499 1 18 . 1 1 18 18 ILE CA C 18 59.123 59.123 59.452 -0.329 18411 14500 1 18 . 1 1 18 18 ILE CB C 18 43.984 43.984 41.516 2.468 18411 14501 1 18 . 1 1 18 18 ILE H H 18 9.574 9.574 8.724 0.850 18411 14502 1 18 . 1 1 19 19 THR N N 19 124.473 124.473 123.873 0.600 18411 14503 1 18 . 1 1 19 19 THR HA H 19 4.821 4.821 5.085 -0.264 18411 14504 1 18 . 1 1 19 19 THR C C 19 174.104 174.104 174.702 -0.598 18411 14505 1 18 . 1 1 19 19 THR CA C 19 62.316 62.316 62.931 -0.615 18411 14506 1 18 . 1 1 19 19 THR CB C 19 69.287 69.287 68.942 0.345 18411 14507 1 18 . 1 1 19 19 THR H H 19 9.081 9.081 8.703 0.378 18411 14508 1 18 . 1 1 20 20 LEU N N 20 125.167 125.167 126.957 -1.790 18411 14509 1 18 . 1 1 20 20 LEU HA H 20 5.082 5.082 4.854 0.228 18411 14510 1 18 . 1 1 20 20 LEU C C 20 181.023 181.023 179.546 1.477 18411 14511 1 18 . 1 1 20 20 LEU CA C 20 54.191 54.191 54.246 -0.055 18411 14512 1 18 . 1 1 20 20 LEU CB C 20 42.219 42.219 43.091 -0.872 18411 14513 1 18 . 1 1 20 20 LEU H H 20 9.227 9.227 9.173 0.054 18411 14514 1 18 . 1 1 21 21 THR N N 21 109.887 109.887 113.232 -3.345 18411 14515 1 18 . 1 1 21 21 THR HA H 21 3.831 3.831 4.050 -0.219 18411 14516 1 18 . 1 1 21 21 THR C C 21 174.716 174.716 175.068 -0.352 18411 14517 1 18 . 1 1 21 21 THR CA C 21 64.992 64.992 65.527 -0.535 18411 14518 1 18 . 1 1 21 21 THR CB C 21 68.529 68.529 68.638 -0.109 18411 14519 1 18 . 1 1 21 21 THR H H 21 8.603 8.603 8.622 -0.019 18411 14520 1 18 . 1 1 22 22 ASP N N 22 117.311 117.311 117.260 0.051 18411 14521 1 18 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.663 -0.069 18411 14522 1 18 . 1 1 22 22 ASP C C 22 177.771 177.771 176.994 0.777 18411 14523 1 18 . 1 1 22 22 ASP CA C 22 53.173 53.173 53.189 -0.016 18411 14524 1 18 . 1 1 22 22 ASP CB C 22 40.449 40.449 40.987 -0.538 18411 14525 1 18 . 1 1 22 22 ASP H H 22 7.530 7.530 7.959 -0.429 18411 14526 1 18 . 1 1 23 23 GLY N N 23 108.847 108.847 109.141 -0.294 18411 14527 1 18 . 1 1 23 23 GLY C C 23 174.806 174.806 174.585 0.221 18411 14528 1 18 . 1 1 23 23 GLY CA C 23 45.028 45.028 45.356 -0.328 18411 14529 1 18 . 1 1 23 23 GLY H H 23 8.203 8.203 7.894 0.309 18411 14530 1 18 . 1 1 24 24 LYS N N 24 122.092 122.092 121.155 0.937 18411 14531 1 18 . 1 1 24 24 LYS HA H 24 4.267 4.267 4.562 -0.295 18411 14532 1 18 . 1 1 24 24 LYS C C 24 175.350 175.350 175.797 -0.447 18411 14533 1 18 . 1 1 24 24 LYS CA C 24 57.060 57.060 55.123 1.937 18411 14534 1 18 . 1 1 24 24 LYS CB C 24 33.271 33.271 33.741 -0.470 18411 14535 1 18 . 1 1 24 24 LYS H H 24 7.881 7.881 7.678 0.203 18411 14536 1 18 . 1 1 25 25 GLN N N 25 119.585 119.585 118.887 0.698 18411 14537 1 18 . 1 1 25 25 GLN HA H 25 5.561 5.561 5.414 0.147 18411 14538 1 18 . 1 1 25 25 GLN C C 25 176.631 176.631 175.025 1.606 18411 14539 1 18 . 1 1 25 25 GLN CA C 25 54.572 54.572 54.352 0.219 18411 14540 1 18 . 1 1 25 25 GLN CB C 25 31.621 31.621 32.224 -0.603 18411 14541 1 18 . 1 1 25 25 GLN H H 25 8.365 8.365 8.360 0.005 18411 14542 1 18 . 1 1 26 26 VAL N N 26 123.115 123.115 119.061 4.054 18411 14543 1 18 . 1 1 26 26 VAL HA H 26 4.466 4.466 4.651 -0.185 18411 14544 1 18 . 1 1 26 26 VAL C C 26 174.390 174.390 174.135 0.255 18411 14545 1 18 . 1 1 26 26 VAL CA C 26 61.142 61.142 59.303 1.839 18411 14546 1 18 . 1 1 26 26 VAL CB C 26 35.962 35.962 34.720 1.242 18411 14547 1 18 . 1 1 26 26 VAL H H 26 9.069 9.069 8.915 0.154 18411 14548 1 18 . 1 1 27 27 THR N N 27 122.509 122.509 118.430 4.079 18411 14549 1 18 . 1 1 27 27 THR HA H 27 5.437 5.437 5.137 0.300 18411 14550 1 18 . 1 1 27 27 THR C C 27 176.330 176.330 175.572 0.758 18411 14551 1 18 . 1 1 27 27 THR CA C 27 60.068 60.068 60.523 -0.455 18411 14552 1 18 . 1 1 27 27 THR CB C 27 70.655 70.655 71.272 -0.617 18411 14553 1 18 . 1 1 27 27 THR H H 27 8.256 8.256 8.098 0.158 18411 14554 1 18 . 1 1 28 28 LEU N N 28 131.816 131.816 125.465 6.351 18411 14555 1 18 . 1 1 28 28 LEU HA H 28 3.607 3.607 3.805 -0.198 18411 14556 1 18 . 1 1 28 28 LEU C C 28 180.093 180.093 177.949 2.144 18411 14557 1 18 . 1 1 28 28 LEU CA C 28 59.264 59.264 57.389 1.875 18411 14558 1 18 . 1 1 28 28 LEU CB C 28 39.396 39.396 41.679 -2.283 18411 14559 1 18 . 1 1 28 28 LEU H H 28 8.311 8.311 8.060 0.251 18411 14560 1 18 . 1 1 29 29 SER N N 29 114.727 114.727 114.193 0.534 18411 14561 1 18 . 1 1 29 29 SER HA H 29 4.003 4.003 4.071 -0.068 18411 14562 1 18 . 1 1 29 29 SER C C 29 177.762 177.762 176.439 1.323 18411 14563 1 18 . 1 1 29 29 SER CA C 29 60.896 60.896 61.394 -0.498 18411 14564 1 18 . 1 1 29 29 SER CB C 29 61.091 61.091 62.608 -1.517 18411 14565 1 18 . 1 1 29 29 SER H H 29 9.491 9.491 8.582 0.909 18411 14566 1 18 . 1 1 30 30 SER N N 30 119.100 119.100 118.118 0.982 18411 14567 1 18 . 1 1 30 30 SER HA H 30 4.476 4.476 4.306 0.170 18411 14568 1 18 . 1 1 30 30 SER C C 30 175.104 175.104 175.541 -0.437 18411 14569 1 18 . 1 1 30 30 SER CA C 30 60.661 60.661 61.356 -0.695 18411 14570 1 18 . 1 1 30 30 SER CB C 30 63.174 63.174 63.381 -0.207 18411 14571 1 18 . 1 1 30 30 SER H H 30 7.878 7.878 7.693 0.185 18411 14572 1 18 . 1 1 31 31 LEU N N 31 121.415 121.415 120.087 1.328 18411 14573 1 18 . 1 1 31 31 LEU HA H 31 4.258 4.258 4.302 -0.044 18411 14574 1 18 . 1 1 31 31 LEU C C 31 175.710 175.710 176.513 -0.803 18411 14575 1 18 . 1 1 31 31 LEU CA C 31 53.804 53.804 54.424 -0.620 18411 14576 1 18 . 1 1 31 31 LEU CB C 31 41.285 41.285 41.577 -0.292 18411 14577 1 18 . 1 1 31 31 LEU H H 31 8.026 8.026 7.044 0.982 18411 14578 1 18 . 1 1 32 32 ARG N N 32 119.061 119.061 119.012 0.049 18411 14579 1 18 . 1 1 32 32 ARG HA H 32 4.411 4.411 4.012 0.399 18411 14580 1 18 . 1 1 32 32 ARG C C 32 177.585 177.585 177.656 -0.071 18411 14581 1 18 . 1 1 32 32 ARG CA C 32 57.590 57.590 57.172 0.418 18411 14582 1 18 . 1 1 32 32 ARG CB C 32 29.497 29.497 29.972 -0.475 18411 14583 1 18 . 1 1 32 32 ARG H H 32 6.788 6.788 7.137 -0.349 18411 14584 1 18 . 1 1 33 33 GLY N N 33 114.033 114.033 110.496 3.537 18411 14585 1 18 . 1 1 33 33 GLY C C 33 173.456 173.456 173.444 0.012 18411 14586 1 18 . 1 1 33 33 GLY CA C 33 44.684 44.684 45.623 -0.939 18411 14587 1 18 . 1 1 33 33 GLY H H 33 9.120 9.120 8.852 0.268 18411 14588 1 18 . 1 1 34 34 LYS N N 34 120.270 120.270 120.141 0.129 18411 14589 1 18 . 1 1 34 34 LYS HA H 34 4.606 4.606 5.400 -0.794 18411 14590 1 18 . 1 1 34 34 LYS C C 34 175.350 175.350 177.483 -2.133 18411 14591 1 18 . 1 1 34 34 LYS CA C 34 54.786 54.786 54.095 0.691 18411 14592 1 18 . 1 1 34 34 LYS CB C 34 34.125 34.125 35.892 -1.767 18411 14593 1 18 . 1 1 34 34 LYS H H 34 8.146 8.146 7.448 0.698 18411 14594 1 18 . 1 1 35 35 VAL N N 35 122.059 122.059 119.117 2.942 18411 14595 1 18 . 1 1 35 35 VAL HA H 35 4.020 4.020 4.128 -0.108 18411 14596 1 18 . 1 1 35 35 VAL C C 35 174.699 174.699 174.313 0.386 18411 14597 1 18 . 1 1 35 35 VAL CA C 35 63.108 63.108 62.274 0.834 18411 14598 1 18 . 1 1 35 35 VAL CB C 35 33.022 33.022 32.067 0.955 18411 14599 1 18 . 1 1 35 35 VAL H H 35 8.757 8.757 9.092 -0.335 18411 14600 1 18 . 1 1 36 36 VAL N N 36 125.815 125.815 126.068 -0.253 18411 14601 1 18 . 1 1 36 36 VAL HA H 36 4.856 4.856 4.877 -0.021 18411 14602 1 18 . 1 1 36 36 VAL C C 36 174.622 174.622 174.460 0.162 18411 14603 1 18 . 1 1 36 36 VAL CA C 36 60.078 60.078 60.295 -0.217 18411 14604 1 18 . 1 1 36 36 VAL CB C 36 35.605 35.605 33.951 1.654 18411 14605 1 18 . 1 1 36 36 VAL H H 36 8.485 8.485 8.222 0.263 18411 14606 1 18 . 1 1 37 37 MET N N 37 126.478 126.478 128.113 -1.635 18411 14607 1 18 . 1 1 37 37 MET HA H 37 5.383 5.383 4.788 0.595 18411 14608 1 18 . 1 1 37 37 MET C C 37 173.473 173.473 173.550 -0.077 18411 14609 1 18 . 1 1 37 37 MET CA C 37 53.661 53.661 54.124 -0.463 18411 14610 1 18 . 1 1 37 37 MET CB C 37 35.948 35.948 35.063 0.885 18411 14611 1 18 . 1 1 37 37 MET H H 37 8.694 8.694 9.064 -0.370 18411 14612 1 18 . 1 1 38 38 LEU N N 38 124.275 124.275 127.716 -3.441 18411 14613 1 18 . 1 1 38 38 LEU HA H 38 5.100 5.100 4.613 0.487 18411 14614 1 18 . 1 1 38 38 LEU C C 38 175.828 175.828 174.928 0.900 18411 14615 1 18 . 1 1 38 38 LEU CA C 38 52.144 52.144 52.734 -0.590 18411 14616 1 18 . 1 1 38 38 LEU CB C 38 42.898 42.898 40.720 2.178 18411 14617 1 18 . 1 1 38 38 LEU H H 38 9.181 9.181 9.155 0.026 18411 14618 1 18 . 1 1 39 39 GLN N N 39 124.390 124.390 124.379 0.011 18411 14619 1 18 . 1 1 39 39 GLN HA H 39 5.369 5.369 4.776 0.593 18411 14620 1 18 . 1 1 39 39 GLN C C 39 175.696 175.696 174.387 1.309 18411 14621 1 18 . 1 1 39 39 GLN CA C 39 54.025 54.025 54.092 -0.066 18411 14622 1 18 . 1 1 39 39 GLN CB C 39 28.735 28.735 30.931 -2.196 18411 14623 1 18 . 1 1 39 39 GLN H H 39 8.325 8.325 7.849 0.476 18411 14624 1 18 . 1 1 40 40 PHE N N 40 128.800 128.800 128.206 0.594 18411 14625 1 18 . 1 1 40 40 PHE HA H 40 5.182 5.182 5.681 -0.499 18411 14626 1 18 . 1 1 40 40 PHE C C 40 175.432 175.432 175.670 -0.238 18411 14627 1 18 . 1 1 40 40 PHE CA C 40 59.370 59.370 57.548 1.822 18411 14628 1 18 . 1 1 40 40 PHE CB C 40 39.256 39.256 39.741 -0.485 18411 14629 1 18 . 1 1 40 40 PHE H H 40 8.899 8.899 8.973 -0.074 18411 14630 1 18 . 1 1 41 41 THR N N 41 117.616 117.616 116.284 1.332 18411 14631 1 18 . 1 1 41 41 THR HA H 41 5.274 5.274 4.709 0.565 18411 14632 1 18 . 1 1 41 41 THR C C 41 170.795 170.795 172.105 -1.310 18411 14633 1 18 . 1 1 41 41 THR CA C 41 59.448 59.448 59.334 0.114 18411 14634 1 18 . 1 1 41 41 THR CB C 41 70.892 70.892 71.549 -0.658 18411 14635 1 18 . 1 1 41 41 THR H H 41 8.589 8.589 8.848 -0.259 18411 14636 1 18 . 1 1 42 42 ALA N N 42 122.005 122.005 121.224 0.781 18411 14637 1 18 . 1 1 42 42 ALA HA H 42 4.162 4.162 4.877 -0.715 18411 14638 1 18 . 1 1 42 42 ALA C C 42 177.618 177.618 176.097 1.521 18411 14639 1 18 . 1 1 42 42 ALA CA C 42 52.454 52.454 50.948 1.506 18411 14640 1 18 . 1 1 42 42 ALA CB C 42 20.704 20.704 20.666 0.038 18411 14641 1 18 . 1 1 42 42 ALA H H 42 7.201 7.201 7.696 -0.495 18411 14642 1 18 . 1 1 43 43 SER N N 43 117.426 117.426 116.386 1.040 18411 14643 1 18 . 1 1 43 43 SER HA H 43 1.542 1.542 2.918 -1.376 18411 14644 1 18 . 1 1 43 43 SER C C 43 174.845 174.845 175.266 -0.421 18411 14645 1 18 . 1 1 43 43 SER CA C 43 60.202 60.202 60.762 -0.560 18411 14646 1 18 . 1 1 43 43 SER CB C 43 63.040 63.040 63.396 -0.356 18411 14647 1 18 . 1 1 43 43 SER H H 43 9.472 9.472 8.553 0.919 18411 14648 1 18 . 1 1 44 44 TRP N N 44 116.512 116.512 115.267 1.245 18411 14649 1 18 . 1 1 44 44 TRP HA H 44 4.495 4.495 4.761 -0.266 18411 14650 1 18 . 1 1 44 44 TRP C C 44 176.297 176.297 175.601 0.696 18411 14651 1 18 . 1 1 44 44 TRP CA C 44 53.405 53.405 54.660 -1.255 18411 14652 1 18 . 1 1 44 44 TRP CB C 44 29.450 29.450 28.182 1.268 18411 14653 1 18 . 1 1 44 44 TRP H H 44 6.345 6.345 7.206 -0.861 18411 14654 1 18 . 1 1 45 45 CYS N N 45 125.015 125.015 120.826 4.189 18411 14655 1 18 . 1 1 45 45 CYS HA H 45 4.501 4.501 4.540 -0.039 18411 14656 1 18 . 1 1 45 45 CYS C C 45 176.409 176.409 175.671 0.738 18411 14657 1 18 . 1 1 45 45 CYS CA C 45 58.904 58.904 58.055 0.849 18411 14658 1 18 . 1 1 45 45 CYS CB C 45 28.203 28.203 29.445 -1.242 18411 14659 1 18 . 1 1 45 45 CYS H H 45 6.982 6.982 7.113 -0.131 18411 14660 1 18 . 1 1 46 46 GLY CA C 46 47.225 47.225 46.643 0.582 18411 14661 1 18 . 1 1 47 47 VAL HA H 47 3.804 3.804 3.906 -0.102 18411 14662 1 18 . 1 1 47 47 VAL CA C 47 66.661 66.661 64.797 1.864 18411 14663 1 18 . 1 1 47 47 VAL CB C 47 31.506 31.506 31.619 -0.112 18411 14664 1 18 . 1 1 48 48 CYS HA H 48 3.875 3.875 4.274 -0.399 18411 14665 1 18 . 1 1 48 48 CYS C C 48 177.961 177.961 176.112 1.849 18411 14666 1 18 . 1 1 48 48 CYS CA C 48 65.053 65.053 62.164 2.889 18411 14667 1 18 . 1 1 48 48 CYS CB C 48 28.741 28.741 26.532 2.209 18411 14668 1 18 . 1 1 49 49 ARG N N 49 115.039 115.039 117.397 -2.358 18411 14669 1 18 . 1 1 49 49 ARG HA H 49 3.898 3.898 4.148 -0.250 18411 14670 1 18 . 1 1 49 49 ARG C C 49 177.871 177.871 177.104 0.767 18411 14671 1 18 . 1 1 49 49 ARG CA C 49 59.837 59.837 58.054 1.783 18411 14672 1 18 . 1 1 49 49 ARG CB C 49 30.585 30.585 29.580 1.005 18411 14673 1 18 . 1 1 49 49 ARG H H 49 7.658 7.658 7.617 0.041 18411 14674 1 18 . 1 1 50 50 LYS N N 50 117.909 117.909 118.217 -0.308 18411 14675 1 18 . 1 1 50 50 LYS HA H 50 4.098 4.098 4.334 -0.236 18411 14676 1 18 . 1 1 50 50 LYS C C 50 177.723 177.723 177.403 0.320 18411 14677 1 18 . 1 1 50 50 LYS CA C 50 58.198 58.198 57.517 0.681 18411 14678 1 18 . 1 1 50 50 LYS CB C 50 32.803 32.803 33.082 -0.279 18411 14679 1 18 . 1 1 50 50 LYS H H 50 7.385 7.385 7.728 -0.343 18411 14680 1 18 . 1 1 51 51 GLU N N 51 117.196 117.196 120.577 -3.381 18411 14681 1 18 . 1 1 51 51 GLU HA H 51 3.453 3.453 3.530 -0.077 18411 14682 1 18 . 1 1 51 51 GLU C C 51 179.194 179.194 178.999 0.195 18411 14683 1 18 . 1 1 51 51 GLU CA C 51 57.754 57.754 59.462 -1.708 18411 14684 1 18 . 1 1 51 51 GLU CB C 51 29.825 29.825 29.667 0.158 18411 14685 1 18 . 1 1 51 51 GLU H H 51 7.764 7.764 7.641 0.123 18411 14686 1 18 . 1 1 52 52 MET N N 52 118.785 118.785 117.648 1.137 18411 14687 1 18 . 1 1 52 52 MET HA H 52 3.979 3.979 4.645 -0.666 18411 14688 1 18 . 1 1 52 52 MET C C 52 174.346 174.346 175.871 -1.525 18411 14689 1 18 . 1 1 52 52 MET CA C 52 62.384 62.384 61.232 1.152 18411 14690 1 18 . 1 1 52 52 MET CB C 52 32.805 32.805 30.395 2.410 18411 14691 1 18 . 1 1 52 52 MET H H 52 8.100 8.100 8.427 -0.327 18411 14692 1 18 . 1 1 53 53 PRO HA H 53 4.299 4.299 4.378 -0.079 18411 14693 1 18 . 1 1 53 53 PRO C C 53 179.242 179.242 179.619 -0.377 18411 14694 1 18 . 1 1 53 53 PRO CA C 53 65.708 65.708 66.070 -0.362 18411 14695 1 18 . 1 1 53 53 PRO CB C 53 31.570 31.570 31.192 0.378 18411 14696 1 18 . 1 1 54 54 PHE N N 54 116.067 116.067 116.894 -0.827 18411 14697 1 18 . 1 1 54 54 PHE HA H 54 4.372 4.372 4.154 0.218 18411 14698 1 18 . 1 1 54 54 PHE C C 54 178.283 178.283 177.931 0.352 18411 14699 1 18 . 1 1 54 54 PHE CA C 54 61.249 61.249 62.189 -0.940 18411 14700 1 18 . 1 1 54 54 PHE CB C 54 38.366 38.366 38.449 -0.083 18411 14701 1 18 . 1 1 54 54 PHE H H 54 7.251 7.251 7.642 -0.391 18411 14702 1 18 . 1 1 55 55 ILE N N 55 122.051 122.051 120.663 1.388 18411 14703 1 18 . 1 1 55 55 ILE HA H 55 3.746 3.746 3.995 -0.249 18411 14704 1 18 . 1 1 55 55 ILE C C 55 179.005 179.005 178.352 0.653 18411 14705 1 18 . 1 1 55 55 ILE CA C 55 66.678 66.678 64.830 1.848 18411 14706 1 18 . 1 1 55 55 ILE CB C 55 37.449 37.449 36.761 0.688 18411 14707 1 18 . 1 1 55 55 ILE H H 55 7.935 7.935 8.559 -0.624 18411 14708 1 18 . 1 1 56 56 GLU N N 56 120.941 120.941 119.278 1.663 18411 14709 1 18 . 1 1 56 56 GLU HA H 56 4.578 4.578 4.374 0.204 18411 14710 1 18 . 1 1 56 56 GLU C C 56 177.034 177.034 179.088 -2.054 18411 14711 1 18 . 1 1 56 56 GLU CA C 56 59.607 59.607 59.726 -0.119 18411 14712 1 18 . 1 1 56 56 GLU CB C 56 29.640 29.640 28.839 0.801 18411 14713 1 18 . 1 1 56 56 GLU H H 56 8.657 8.657 8.612 0.045 18411 14714 1 18 . 1 1 57 57 LYS N N 57 114.712 114.712 119.117 -4.405 18411 14715 1 18 . 1 1 57 57 LYS HA H 57 4.165 4.165 4.076 0.089 18411 14716 1 18 . 1 1 57 57 LYS C C 57 177.831 177.831 178.008 -0.177 18411 14717 1 18 . 1 1 57 57 LYS CA C 57 59.905 59.905 59.712 0.192 18411 14718 1 18 . 1 1 57 57 LYS CB C 57 33.873 33.873 32.424 1.449 18411 14719 1 18 . 1 1 57 57 LYS H H 57 7.719 7.719 7.781 -0.062 18411 14720 1 18 . 1 1 58 58 ASP N N 58 114.953 114.953 118.056 -3.103 18411 14721 1 18 . 1 1 58 58 ASP HA H 58 4.843 4.843 4.722 0.121 18411 14722 1 18 . 1 1 58 58 ASP C C 58 176.515 176.515 178.103 -1.588 18411 14723 1 18 . 1 1 58 58 ASP CA C 58 56.125 56.125 55.934 0.192 18411 14724 1 18 . 1 1 58 58 ASP CB C 58 42.087 42.087 42.561 -0.474 18411 14725 1 18 . 1 1 58 58 ASP H H 58 8.783 8.783 8.191 0.592 18411 14726 1 18 . 1 1 59 59 ILE N N 59 115.807 115.807 121.036 -5.229 18411 14727 1 18 . 1 1 59 59 ILE HA H 59 4.268 4.268 3.825 0.443 18411 14728 1 18 . 1 1 59 59 ILE C C 59 176.369 176.369 178.127 -1.758 18411 14729 1 18 . 1 1 59 59 ILE CA C 59 63.757 63.757 64.443 -0.686 18411 14730 1 18 . 1 1 59 59 ILE CB C 59 40.396 40.396 37.565 2.831 18411 14731 1 18 . 1 1 59 59 ILE H H 59 7.455 7.455 8.054 -0.599 18411 14732 1 18 . 1 1 60 60 TRP N N 60 120.937 120.937 121.207 -0.270 18411 14733 1 18 . 1 1 60 60 TRP HA H 60 4.727 4.727 4.405 0.322 18411 14734 1 18 . 1 1 60 60 TRP C C 60 177.428 177.428 178.063 -0.635 18411 14735 1 18 . 1 1 60 60 TRP CA C 60 60.644 60.644 60.058 0.586 18411 14736 1 18 . 1 1 60 60 TRP CB C 60 30.907 30.907 30.506 0.401 18411 14737 1 18 . 1 1 60 60 TRP H H 60 9.012 9.012 8.222 0.790 18411 14738 1 18 . 1 1 61 61 LEU N N 61 113.624 113.624 119.630 -6.006 18411 14739 1 18 . 1 1 61 61 LEU HA H 61 3.572 3.572 3.726 -0.154 18411 14740 1 18 . 1 1 61 61 LEU C C 61 179.473 179.473 178.591 0.882 18411 14741 1 18 . 1 1 61 61 LEU CA C 61 57.569 57.569 57.737 -0.168 18411 14742 1 18 . 1 1 61 61 LEU CB C 61 41.040 41.040 41.118 -0.078 18411 14743 1 18 . 1 1 61 61 LEU H H 61 9.210 9.210 8.221 0.989 18411 14744 1 18 . 1 1 62 62 LYS N N 62 112.991 112.991 114.280 -1.289 18411 14745 1 18 . 1 1 62 62 LYS HA H 62 3.889 3.889 3.909 -0.020 18411 14746 1 18 . 1 1 62 62 LYS C C 62 178.111 178.111 177.300 0.811 18411 14747 1 18 . 1 1 62 62 LYS CA C 62 56.667 56.667 57.383 -0.716 18411 14748 1 18 . 1 1 62 62 LYS CB C 62 31.651 31.651 32.204 -0.553 18411 14749 1 18 . 1 1 62 62 LYS H H 62 6.216 6.216 7.866 -1.650 18411 14750 1 18 . 1 1 63 63 HIS N N 63 114.656 114.656 114.691 -0.035 18411 14751 1 18 . 1 1 63 63 HIS HA H 63 4.943 4.943 4.504 0.439 18411 14752 1 18 . 1 1 63 63 HIS C C 63 177.057 177.057 175.413 1.644 18411 14753 1 18 . 1 1 63 63 HIS CA C 63 56.133 56.133 56.130 0.003 18411 14754 1 18 . 1 1 63 63 HIS CB C 63 33.235 33.235 32.187 1.048 18411 14755 1 18 . 1 1 63 63 HIS H H 63 7.067 7.067 7.354 -0.287 18411 14756 1 18 . 1 1 64 64 LYS N N 64 119.155 119.155 118.167 0.988 18411 14757 1 18 . 1 1 64 64 LYS HA H 64 3.513 3.513 2.129 1.384 18411 14758 1 18 . 1 1 64 64 LYS C C 64 177.074 177.074 176.697 0.377 18411 14759 1 18 . 1 1 64 64 LYS CA C 64 59.166 59.166 58.888 0.278 18411 14760 1 18 . 1 1 64 64 LYS CB C 64 28.740 28.740 30.329 -1.589 18411 14761 1 18 . 1 1 64 64 LYS H H 64 8.114 8.114 8.069 0.045 18411 14762 1 18 . 1 1 65 65 ASP N N 65 117.882 117.882 119.370 -1.488 18411 14763 1 18 . 1 1 65 65 ASP HA H 65 4.714 4.714 4.566 0.148 18411 14764 1 18 . 1 1 65 65 ASP C C 65 175.195 175.195 177.377 -2.182 18411 14765 1 18 . 1 1 65 65 ASP CA C 65 54.204 54.204 55.521 -1.317 18411 14766 1 18 . 1 1 65 65 ASP CB C 65 40.564 40.564 42.786 -2.222 18411 14767 1 18 . 1 1 65 65 ASP H H 65 7.963 7.963 7.922 0.041 18411 14768 1 18 . 1 1 66 66 ASN N N 66 122.091 122.091 116.638 5.453 18411 14769 1 18 . 1 1 66 66 ASN HA H 66 4.659 4.659 4.311 0.348 18411 14770 1 18 . 1 1 66 66 ASN C C 66 176.046 176.046 175.409 0.637 18411 14771 1 18 . 1 1 66 66 ASN CA C 66 52.799 52.799 54.790 -1.991 18411 14772 1 18 . 1 1 66 66 ASN CB C 66 39.054 39.054 37.732 1.322 18411 14773 1 18 . 1 1 66 66 ASN H H 66 8.184 8.184 8.515 -0.331 18411 14774 1 18 . 1 1 67 67 ALA N N 67 128.893 128.893 117.031 11.862 18411 14775 1 18 . 1 1 67 67 ALA HA H 67 4.295 4.295 3.923 0.372 18411 14776 1 18 . 1 1 67 67 ALA C C 67 177.886 177.886 176.002 1.884 18411 14777 1 18 . 1 1 67 67 ALA CA C 67 54.049 54.049 54.041 0.008 18411 14778 1 18 . 1 1 67 67 ALA CB C 67 18.549 18.549 17.863 0.686 18411 14779 1 18 . 1 1 67 67 ALA H H 67 8.806 8.806 8.327 0.479 18411 14780 1 18 . 1 1 68 68 ASP N N 68 116.612 116.612 116.169 0.443 18411 14781 1 18 . 1 1 68 68 ASP HA H 68 4.823 4.823 4.809 0.014 18411 14782 1 18 . 1 1 68 68 ASP C C 68 173.310 173.310 174.234 -0.924 18411 14783 1 18 . 1 1 68 68 ASP CA C 68 54.202 54.202 53.983 0.219 18411 14784 1 18 . 1 1 68 68 ASP CB C 68 40.892 40.892 43.078 -2.186 18411 14785 1 18 . 1 1 68 68 ASP H H 68 8.759 8.759 7.835 0.924 18411 14786 1 18 . 1 1 69 69 PHE N N 69 119.640 119.640 122.817 -3.177 18411 14787 1 18 . 1 1 69 69 PHE HA H 69 5.741 5.741 4.982 0.759 18411 14788 1 18 . 1 1 69 69 PHE C C 69 173.860 173.860 172.896 0.964 18411 14789 1 18 . 1 1 69 69 PHE CA C 69 56.192 56.192 56.511 -0.319 18411 14790 1 18 . 1 1 69 69 PHE CB C 69 43.496 43.496 41.638 1.858 18411 14791 1 18 . 1 1 69 69 PHE H H 69 7.912 7.912 7.967 -0.055 18411 14792 1 18 . 1 1 70 70 ALA N N 70 130.226 130.226 131.843 -1.617 18411 14793 1 18 . 1 1 70 70 ALA HA H 70 4.321 4.321 4.767 -0.446 18411 14794 1 18 . 1 1 70 70 ALA C C 70 171.945 171.945 174.592 -2.647 18411 14795 1 18 . 1 1 70 70 ALA CA C 70 51.573 51.573 50.375 1.198 18411 14796 1 18 . 1 1 70 70 ALA CB C 70 23.273 23.273 21.119 2.154 18411 14797 1 18 . 1 1 70 70 ALA H H 70 8.298 8.298 8.876 -0.578 18411 14798 1 18 . 1 1 71 71 LEU N N 71 122.090 122.090 126.419 -4.329 18411 14799 1 18 . 1 1 71 71 LEU HA H 71 5.120 5.120 4.918 0.202 18411 14800 1 18 . 1 1 71 71 LEU C C 71 174.836 174.836 175.461 -0.625 18411 14801 1 18 . 1 1 71 71 LEU CA C 71 53.348 53.348 53.663 -0.315 18411 14802 1 18 . 1 1 71 71 LEU CB C 71 46.617 46.617 44.036 2.581 18411 14803 1 18 . 1 1 71 71 LEU H H 71 7.217 7.217 8.626 -1.409 18411 14804 1 18 . 1 1 72 72 ILE N N 72 123.189 123.189 124.722 -1.533 18411 14805 1 18 . 1 1 72 72 ILE HA H 72 4.336 4.336 4.775 -0.439 18411 14806 1 18 . 1 1 72 72 ILE C C 72 175.377 175.377 174.864 0.513 18411 14807 1 18 . 1 1 72 72 ILE CA C 72 60.236 60.236 59.692 0.544 18411 14808 1 18 . 1 1 72 72 ILE CB C 72 42.355 42.355 42.175 0.180 18411 14809 1 18 . 1 1 72 72 ILE H H 72 8.211 8.211 8.406 -0.195 18411 14810 1 18 . 1 1 73 73 GLY N N 73 114.189 114.189 114.640 -0.451 18411 14811 1 18 . 1 1 73 73 GLY C C 73 172.626 172.626 173.493 -0.867 18411 14812 1 18 . 1 1 73 73 GLY CA C 73 44.213 44.213 44.324 -0.111 18411 14813 1 18 . 1 1 73 73 GLY H H 73 9.202 9.202 8.718 0.484 18411 14814 1 18 . 1 1 74 74 ILE N N 74 126.577 126.577 127.589 -1.012 18411 14815 1 18 . 1 1 74 74 ILE HA H 74 3.873 3.873 4.772 -0.899 18411 14816 1 18 . 1 1 74 74 ILE C C 74 174.792 174.792 174.860 -0.068 18411 14817 1 18 . 1 1 74 74 ILE CA C 74 61.660 61.660 58.416 3.244 18411 14818 1 18 . 1 1 74 74 ILE CB C 74 37.394 37.394 37.553 -0.159 18411 14819 1 18 . 1 1 74 74 ILE H H 74 9.279 9.279 9.005 0.274 18411 14820 1 18 . 1 1 75 75 ASP N N 75 129.040 129.040 128.357 0.683 18411 14821 1 18 . 1 1 75 75 ASP HA H 75 5.213 5.213 5.175 0.038 18411 14822 1 18 . 1 1 75 75 ASP C C 75 175.696 175.696 177.094 -1.398 18411 14823 1 18 . 1 1 75 75 ASP CA C 75 52.425 52.425 53.964 -1.539 18411 14824 1 18 . 1 1 75 75 ASP CB C 75 41.673 41.673 43.492 -1.819 18411 14825 1 18 . 1 1 75 75 ASP H H 75 8.592 8.592 8.730 -0.138 18411 14826 1 18 . 1 1 76 76 ARG N N 76 128.762 128.762 125.138 3.624 18411 14827 1 18 . 1 1 76 76 ARG HA H 76 4.346 4.346 4.009 0.337 18411 14828 1 18 . 1 1 76 76 ARG C C 76 174.562 174.562 175.476 -0.914 18411 14829 1 18 . 1 1 76 76 ARG CA C 76 58.885 58.885 58.614 0.271 18411 14830 1 18 . 1 1 76 76 ARG CB C 76 32.732 32.732 30.909 1.823 18411 14831 1 18 . 1 1 76 76 ARG H H 76 8.842 8.842 8.640 0.202 18411 14832 1 18 . 1 1 77 77 ASP N N 77 128.451 128.451 111.153 17.298 18411 14833 1 18 . 1 1 77 77 ASP HA H 77 4.473 4.473 4.950 -0.477 18411 14834 1 18 . 1 1 77 77 ASP C C 77 173.969 173.969 176.569 -2.600 18411 14835 1 18 . 1 1 77 77 ASP CA C 77 56.139 56.139 54.055 2.084 18411 14836 1 18 . 1 1 77 77 ASP CB C 77 42.541 42.541 42.764 -0.223 18411 14837 1 18 . 1 1 77 77 ASP H H 77 8.256 8.256 8.584 -0.328 18411 14838 1 18 . 1 1 78 78 GLU N N 78 114.796 114.796 122.145 -7.349 18411 14839 1 18 . 1 1 78 78 GLU HA H 78 5.060 5.060 4.673 0.387 18411 14840 1 18 . 1 1 78 78 GLU C C 78 174.225 174.225 175.291 -1.066 18411 14841 1 18 . 1 1 78 78 GLU CA C 78 54.220 54.220 55.034 -0.814 18411 14842 1 18 . 1 1 78 78 GLU CB C 78 32.842 32.842 29.627 3.215 18411 14843 1 18 . 1 1 78 78 GLU H H 78 8.010 8.010 8.833 -0.823 18411 14844 1 18 . 1 1 79 79 PRO HA H 79 4.579 4.579 4.470 0.109 18411 14845 1 18 . 1 1 79 79 PRO C C 79 177.508 177.508 177.854 -0.346 18411 14846 1 18 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.441 -0.374 18411 14847 1 18 . 1 1 79 79 PRO CB C 79 33.096 33.096 32.573 0.523 18411 14848 1 18 . 1 1 80 80 LEU N N 80 122.209 122.209 121.663 0.546 18411 14849 1 18 . 1 1 80 80 LEU HA H 80 3.927 3.927 3.954 -0.027 18411 14850 1 18 . 1 1 80 80 LEU C C 80 177.847 177.847 178.456 -0.609 18411 14851 1 18 . 1 1 80 80 LEU CA C 80 59.188 59.188 59.441 -0.252 18411 14852 1 18 . 1 1 80 80 LEU CB C 80 42.001 42.001 41.672 0.329 18411 14853 1 18 . 1 1 80 80 LEU H H 80 8.943 8.943 8.438 0.505 18411 14854 1 18 . 1 1 81 81 GLU N N 81 115.361 115.361 117.022 -1.661 18411 14855 1 18 . 1 1 81 81 GLU HA H 81 3.999 3.999 3.942 0.057 18411 14856 1 18 . 1 1 81 81 GLU C C 81 180.044 180.044 178.660 1.384 18411 14857 1 18 . 1 1 81 81 GLU CA C 81 60.552 60.552 59.313 1.239 18411 14858 1 18 . 1 1 81 81 GLU CB C 81 28.723 28.723 28.105 0.618 18411 14859 1 18 . 1 1 81 81 GLU H H 81 9.534 9.534 8.962 0.572 18411 14860 1 18 . 1 1 82 82 LYS N N 82 118.582 118.582 120.131 -1.549 18411 14861 1 18 . 1 1 82 82 LYS HA H 82 4.183 4.183 4.073 0.110 18411 14862 1 18 . 1 1 82 82 LYS C C 82 179.226 179.226 178.864 0.362 18411 14863 1 18 . 1 1 82 82 LYS CA C 82 58.248 58.248 59.354 -1.106 18411 14864 1 18 . 1 1 82 82 LYS CB C 82 32.912 32.912 32.100 0.812 18411 14865 1 18 . 1 1 82 82 LYS H H 82 7.332 7.332 7.536 -0.204 18411 14866 1 18 . 1 1 83 83 VAL N N 83 122.971 122.971 120.828 2.143 18411 14867 1 18 . 1 1 83 83 VAL HA H 83 3.554 3.554 3.635 -0.081 18411 14868 1 18 . 1 1 83 83 VAL C C 83 178.331 178.331 178.357 -0.026 18411 14869 1 18 . 1 1 83 83 VAL CA C 83 67.063 67.063 66.410 0.653 18411 14870 1 18 . 1 1 83 83 VAL CB C 83 31.497 31.497 31.549 -0.052 18411 14871 1 18 . 1 1 83 83 VAL H H 83 7.743 7.743 7.817 -0.074 18411 14872 1 18 . 1 1 84 84 LEU N N 84 119.209 119.209 119.849 -0.640 18411 14873 1 18 . 1 1 84 84 LEU HA H 84 4.030 4.030 3.967 0.063 18411 14874 1 18 . 1 1 84 84 LEU C C 84 180.647 180.647 179.123 1.524 18411 14875 1 18 . 1 1 84 84 LEU CA C 84 57.975 57.975 57.692 0.283 18411 14876 1 18 . 1 1 84 84 LEU CB C 84 42.010 42.010 40.249 1.761 18411 14877 1 18 . 1 1 84 84 LEU H H 84 8.706 8.706 7.803 0.903 18411 14878 1 18 . 1 1 85 85 ALA N N 85 120.801 120.801 122.768 -1.967 18411 14879 1 18 . 1 1 85 85 ALA HA H 85 4.198 4.198 3.994 0.204 18411 14880 1 18 . 1 1 85 85 ALA C C 85 180.253 180.253 179.609 0.644 18411 14881 1 18 . 1 1 85 85 ALA CA C 85 54.947 54.947 55.261 -0.314 18411 14882 1 18 . 1 1 85 85 ALA CB C 85 17.973 17.973 18.338 -0.365 18411 14883 1 18 . 1 1 85 85 ALA H H 85 7.440 7.440 8.418 -0.978 18411 14884 1 18 . 1 1 86 86 PHE N N 86 123.035 123.035 119.876 3.159 18411 14885 1 18 . 1 1 86 86 PHE HA H 86 4.905 4.905 4.071 0.834 18411 14886 1 18 . 1 1 86 86 PHE C C 86 179.015 179.015 177.349 1.666 18411 14887 1 18 . 1 1 86 86 PHE CA C 86 56.648 56.648 61.489 -4.840 18411 14888 1 18 . 1 1 86 86 PHE CB C 86 39.249 39.249 39.143 0.106 18411 14889 1 18 . 1 1 86 86 PHE H H 86 8.040 8.040 8.741 -0.701 18411 14890 1 18 . 1 1 87 87 ALA N N 87 123.932 123.932 122.639 1.293 18411 14891 1 18 . 1 1 87 87 ALA HA H 87 3.480 3.480 3.985 -0.505 18411 14892 1 18 . 1 1 87 87 ALA C C 87 179.800 179.800 179.038 0.762 18411 14893 1 18 . 1 1 87 87 ALA CA C 87 55.183 55.183 54.635 0.548 18411 14894 1 18 . 1 1 87 87 ALA CB C 87 17.602 17.602 18.350 -0.748 18411 14895 1 18 . 1 1 87 87 ALA H H 87 8.453 8.453 8.307 0.146 18411 14896 1 18 . 1 1 88 88 LYS N N 88 116.535 116.535 118.069 -1.534 18411 14897 1 18 . 1 1 88 88 LYS HA H 88 4.030 4.030 3.917 0.113 18411 14898 1 18 . 1 1 88 88 LYS C C 88 179.562 179.562 178.641 0.921 18411 14899 1 18 . 1 1 88 88 LYS CA C 88 59.063 59.063 59.218 -0.155 18411 14900 1 18 . 1 1 88 88 LYS CB C 88 32.466 32.466 32.362 0.104 18411 14901 1 18 . 1 1 88 88 LYS H H 88 7.664 7.664 8.429 -0.765 18411 14902 1 18 . 1 1 89 89 SER N N 89 113.619 113.619 113.097 0.522 18411 14903 1 18 . 1 1 89 89 SER HA H 89 4.271 4.271 4.359 -0.088 18411 14904 1 18 . 1 1 89 89 SER C C 89 177.004 177.004 175.804 1.200 18411 14905 1 18 . 1 1 89 89 SER CA C 89 61.139 61.139 60.681 0.458 18411 14906 1 18 . 1 1 89 89 SER CB C 89 63.327 63.327 63.398 -0.071 18411 14907 1 18 . 1 1 89 89 SER H H 89 8.417 8.417 7.878 0.539 18411 14908 1 18 . 1 1 90 90 THR N N 90 109.601 109.601 112.331 -2.730 18411 14909 1 18 . 1 1 90 90 THR HA H 90 4.287 4.287 4.262 0.025 18411 14910 1 18 . 1 1 90 90 THR C C 90 176.074 176.074 175.565 0.509 18411 14911 1 18 . 1 1 90 90 THR CA C 90 62.926 62.926 62.358 0.568 18411 14912 1 18 . 1 1 90 90 THR CB C 90 70.563 70.563 69.746 0.817 18411 14913 1 18 . 1 1 90 90 THR H H 90 7.710 7.710 7.477 0.233 18411 14914 1 18 . 1 1 91 91 GLY N N 91 110.243 110.243 109.964 0.279 18411 14915 1 18 . 1 1 91 91 GLY C C 91 174.815 174.815 173.560 1.255 18411 14916 1 18 . 1 1 91 91 GLY CA C 91 46.042 46.042 44.660 1.382 18411 14917 1 18 . 1 1 91 91 GLY H H 91 7.609 7.609 8.005 -0.396 18411 14918 1 18 . 1 1 92 92 VAL N N 92 112.099 112.099 120.331 -8.232 18411 14919 1 18 . 1 1 92 92 VAL HA H 92 4.309 4.309 3.653 0.656 18411 14920 1 18 . 1 1 92 92 VAL C C 92 178.372 178.372 175.641 2.731 18411 14921 1 18 . 1 1 92 92 VAL CA C 92 60.696 60.696 63.624 -2.928 18411 14922 1 18 . 1 1 92 92 VAL CB C 92 32.337 32.337 31.546 0.791 18411 14923 1 18 . 1 1 92 92 VAL H H 92 7.046 7.046 7.165 -0.119 18411 14924 1 18 . 1 1 93 93 THR N N 93 114.289 114.289 121.401 -7.112 18411 14925 1 18 . 1 1 93 93 THR HA H 93 4.457 4.457 4.287 0.170 18411 14926 1 18 . 1 1 93 93 THR C C 93 175.115 175.115 173.395 1.720 18411 14927 1 18 . 1 1 93 93 THR CA C 93 61.280 61.280 62.376 -1.096 18411 14928 1 18 . 1 1 93 93 THR CB C 93 70.314 70.314 69.417 0.897 18411 14929 1 18 . 1 1 93 93 THR H H 93 10.844 10.844 8.291 2.553 18411 14930 1 18 . 1 1 94 94 TYR N N 94 122.050 122.050 120.429 1.621 18411 14931 1 18 . 1 1 94 94 TYR HA H 94 3.740 3.740 3.811 -0.071 18411 14932 1 18 . 1 1 94 94 TYR C C 94 171.563 171.563 172.872 -1.309 18411 14933 1 18 . 1 1 94 94 TYR CA C 94 53.080 53.080 53.068 0.012 18411 14934 1 18 . 1 1 94 94 TYR CB C 94 34.195 34.195 36.577 -2.382 18411 14935 1 18 . 1 1 94 94 TYR H H 94 6.391 6.391 6.968 -0.577 18411 14936 1 18 . 1 1 95 95 PRO HA H 95 4.105 4.105 4.296 -0.191 18411 14937 1 18 . 1 1 95 95 PRO C C 95 175.152 175.152 175.469 -0.317 18411 14938 1 18 . 1 1 95 95 PRO CA C 95 63.799 63.799 62.647 1.152 18411 14939 1 18 . 1 1 95 95 PRO CB C 95 32.919 32.919 32.489 0.430 18411 14940 1 18 . 1 1 96 96 LEU N N 96 122.325 122.325 120.951 1.374 18411 14941 1 18 . 1 1 96 96 LEU HA H 96 5.143 5.143 4.834 0.309 18411 14942 1 18 . 1 1 96 96 LEU C C 96 176.072 176.072 175.863 0.209 18411 14943 1 18 . 1 1 96 96 LEU CA C 96 52.794 52.794 54.084 -1.290 18411 14944 1 18 . 1 1 96 96 LEU CB C 96 45.567 45.567 45.907 -0.340 18411 14945 1 18 . 1 1 96 96 LEU H H 96 8.256 8.256 7.973 0.283 18411 14946 1 18 . 1 1 97 97 GLY N N 97 107.295 107.295 106.960 0.335 18411 14947 1 18 . 1 1 97 97 GLY C C 97 171.546 171.546 172.237 -0.691 18411 14948 1 18 . 1 1 97 97 GLY CA C 97 44.069 44.069 43.825 0.244 18411 14949 1 18 . 1 1 97 97 GLY H H 97 9.177 9.177 9.015 0.162 18411 14950 1 18 . 1 1 98 98 LEU N N 98 118.550 118.550 118.694 -0.144 18411 14951 1 18 . 1 1 98 98 LEU HA H 98 4.872 4.872 4.810 0.062 18411 14952 1 18 . 1 1 98 98 LEU C C 98 176.132 176.132 174.493 1.639 18411 14953 1 18 . 1 1 98 98 LEU CA C 98 54.460 54.460 53.768 0.692 18411 14954 1 18 . 1 1 98 98 LEU CB C 98 43.567 43.567 43.565 0.002 18411 14955 1 18 . 1 1 98 98 LEU H H 98 8.106 8.106 8.586 -0.480 18411 14956 1 18 . 1 1 99 99 ASP N N 99 118.061 118.061 123.408 -5.347 18411 14957 1 18 . 1 1 99 99 ASP HA H 99 5.403 5.403 5.075 0.328 18411 14958 1 18 . 1 1 99 99 ASP C C 99 175.069 175.069 174.029 1.040 18411 14959 1 18 . 1 1 99 99 ASP CA C 99 51.057 51.057 50.573 0.484 18411 14960 1 18 . 1 1 99 99 ASP CB C 99 42.069 42.069 42.424 -0.355 18411 14961 1 18 . 1 1 99 99 ASP H H 99 8.481 8.481 8.447 0.034 18411 14962 1 18 . 1 1 100 100 PRO HA H 100 4.564 4.564 4.368 0.196 18411 14963 1 18 . 1 1 100 100 PRO C C 100 179.600 179.600 177.026 2.574 18411 14964 1 18 . 1 1 100 100 PRO CA C 100 64.020 64.020 63.234 0.786 18411 14965 1 18 . 1 1 100 100 PRO CB C 100 31.455 31.455 31.026 0.429 18411 14966 1 18 . 1 1 101 101 GLY N N 101 114.780 114.780 110.871 3.909 18411 14967 1 18 . 1 1 101 101 GLY C C 101 173.600 173.600 173.993 -0.393 18411 14968 1 18 . 1 1 101 101 GLY CA C 101 46.175 46.175 45.047 1.129 18411 14969 1 18 . 1 1 101 101 GLY H H 101 9.045 9.045 7.986 1.059 18411 14970 1 18 . 1 1 102 102 ALA N N 102 117.089 117.089 121.669 -4.580 18411 14971 1 18 . 1 1 102 102 ALA HA H 102 4.376 4.376 4.123 0.253 18411 14972 1 18 . 1 1 102 102 ALA C C 102 175.955 175.955 176.778 -0.823 18411 14973 1 18 . 1 1 102 102 ALA CA C 102 52.693 52.693 52.786 -0.093 18411 14974 1 18 . 1 1 102 102 ALA CB C 102 18.256 18.256 17.226 1.030 18411 14975 1 18 . 1 1 102 102 ALA H H 102 8.257 8.257 8.121 0.136 18411 14976 1 18 . 1 1 103 103 ASP N N 103 118.691 118.691 118.383 0.308 18411 14977 1 18 . 1 1 103 103 ASP HA H 103 4.444 4.444 4.579 -0.135 18411 14978 1 18 . 1 1 103 103 ASP C C 103 179.021 179.021 177.781 1.240 18411 14979 1 18 . 1 1 103 103 ASP CA C 103 57.935 57.935 56.956 0.979 18411 14980 1 18 . 1 1 103 103 ASP CB C 103 41.368 41.368 41.704 -0.336 18411 14981 1 18 . 1 1 103 103 ASP H H 103 6.739 6.739 8.466 -1.727 18411 14982 1 18 . 1 1 104 104 ILE N N 104 126.075 126.075 119.803 6.272 18411 14983 1 18 . 1 1 104 104 ILE HA H 104 3.682 3.682 3.915 -0.233 18411 14984 1 18 . 1 1 104 104 ILE C C 104 179.321 179.321 177.578 1.743 18411 14985 1 18 . 1 1 104 104 ILE CA C 104 66.522 66.522 63.272 3.251 18411 14986 1 18 . 1 1 104 104 ILE CB C 104 36.754 36.754 37.350 -0.596 18411 14987 1 18 . 1 1 104 104 ILE H H 104 11.476 11.476 8.043 3.433 18411 14988 1 18 . 1 1 105 105 PHE N N 105 124.513 124.513 119.654 4.859 18411 14989 1 18 . 1 1 105 105 PHE HA H 105 3.646 3.646 3.923 -0.277 18411 14990 1 18 . 1 1 105 105 PHE C C 105 177.818 177.818 176.557 1.261 18411 14991 1 18 . 1 1 105 105 PHE CA C 105 62.948 62.948 61.596 1.352 18411 14992 1 18 . 1 1 105 105 PHE CB C 105 38.350 38.350 39.266 -0.916 18411 14993 1 18 . 1 1 105 105 PHE H H 105 9.473 9.473 9.160 0.313 18411 14994 1 18 . 1 1 106 106 ALA N N 106 115.835 115.835 120.281 -4.446 18411 14995 1 18 . 1 1 106 106 ALA HA H 106 4.927 4.927 4.651 0.276 18411 14996 1 18 . 1 1 106 106 ALA C C 106 179.271 179.271 178.490 0.781 18411 14997 1 18 . 1 1 106 106 ALA CA C 106 52.672 52.672 54.141 -1.469 18411 14998 1 18 . 1 1 106 106 ALA CB C 106 19.093 19.093 18.734 0.359 18411 14999 1 18 . 1 1 106 106 ALA H H 106 8.418 8.418 7.557 0.861 18411 15000 1 18 . 1 1 107 107 LYS N N 107 116.823 116.823 115.733 1.090 18411 15001 1 18 . 1 1 107 107 LYS HA H 107 4.145 4.145 4.117 0.028 18411 15002 1 18 . 1 1 107 107 LYS C C 107 176.006 176.006 177.167 -1.161 18411 15003 1 18 . 1 1 107 107 LYS CA C 107 57.980 57.980 57.810 0.170 18411 15004 1 18 . 1 1 107 107 LYS CB C 107 33.041 33.041 32.185 0.856 18411 15005 1 18 . 1 1 107 107 LYS H H 107 8.106 8.106 7.854 0.252 18411 15006 1 18 . 1 1 108 108 TYR N N 108 114.793 114.793 117.844 -3.051 18411 15007 1 18 . 1 1 108 108 TYR HA H 108 4.311 4.311 4.489 -0.178 18411 15008 1 18 . 1 1 108 108 TYR C C 108 176.010 176.010 174.198 1.812 18411 15009 1 18 . 1 1 108 108 TYR CA C 108 59.270 59.270 60.142 -0.872 18411 15010 1 18 . 1 1 108 108 TYR CB C 108 40.965 40.965 41.099 -0.134 18411 15011 1 18 . 1 1 108 108 TYR H H 108 7.811 7.811 7.310 0.501 18411 15012 1 18 . 1 1 109 109 ALA N N 109 125.709 125.709 117.375 8.334 18411 15013 1 18 . 1 1 109 109 ALA HA H 109 4.760 4.760 4.655 0.105 18411 15014 1 18 . 1 1 109 109 ALA C C 109 174.711 174.711 174.969 -0.258 18411 15015 1 18 . 1 1 109 109 ALA CA C 109 50.276 50.276 50.669 -0.393 18411 15016 1 18 . 1 1 109 109 ALA CB C 109 21.924 21.924 21.224 0.700 18411 15017 1 18 . 1 1 109 109 ALA H H 109 8.595 8.595 7.482 1.113 18411 15018 1 18 . 1 1 110 110 LEU N N 110 117.834 117.834 117.970 -0.136 18411 15019 1 18 . 1 1 110 110 LEU HA H 110 4.137 4.137 4.364 -0.227 18411 15020 1 18 . 1 1 110 110 LEU C C 110 179.153 179.153 177.855 1.298 18411 15021 1 18 . 1 1 110 110 LEU CA C 110 55.164 55.164 55.312 -0.148 18411 15022 1 18 . 1 1 110 110 LEU CB C 110 42.292 42.292 42.232 0.060 18411 15023 1 18 . 1 1 110 110 LEU H H 110 7.814 7.814 8.092 -0.278 18411 15024 1 18 . 1 1 111 111 ARG N N 111 119.787 119.787 120.452 -0.665 18411 15025 1 18 . 1 1 111 111 ARG HA H 111 3.916 3.916 4.337 -0.421 18411 15026 1 18 . 1 1 111 111 ARG C C 111 176.962 176.962 175.727 1.235 18411 15027 1 18 . 1 1 111 111 ARG CA C 111 60.538 60.538 57.324 3.214 18411 15028 1 18 . 1 1 111 111 ARG CB C 111 30.424 30.424 28.546 1.878 18411 15029 1 18 . 1 1 111 111 ARG H H 111 8.655 8.655 8.814 -0.159 18411 15030 1 18 . 1 1 112 112 ASP N N 112 113.338 113.338 119.971 -6.633 18411 15031 1 18 . 1 1 112 112 ASP HA H 112 4.662 4.662 4.504 0.158 18411 15032 1 18 . 1 1 112 112 ASP C C 112 176.387 176.387 175.603 0.784 18411 15033 1 18 . 1 1 112 112 ASP CA C 112 52.833 52.833 56.193 -3.360 18411 15034 1 18 . 1 1 112 112 ASP CB C 112 40.135 40.135 41.612 -1.477 18411 15035 1 18 . 1 1 112 112 ASP H H 112 8.205 8.205 9.021 -0.816 18411 15036 1 18 . 1 1 113 113 ALA N N 113 122.885 122.885 121.816 1.069 18411 15037 1 18 . 1 1 113 113 ALA HA H 113 4.347 4.347 3.965 0.382 18411 15038 1 18 . 1 1 113 113 ALA C C 113 177.740 177.740 177.404 0.336 18411 15039 1 18 . 1 1 113 113 ALA CA C 113 51.983 51.983 52.915 -0.932 18411 15040 1 18 . 1 1 113 113 ALA CB C 113 20.558 20.558 17.097 3.461 18411 15041 1 18 . 1 1 113 113 ALA H H 113 7.919 7.919 8.489 -0.570 18411 15042 1 18 . 1 1 114 114 GLY CA C 114 45.480 45.480 44.492 0.988 18411 15043 1 18 . 1 1 115 115 ILE N N 115 122.165 122.165 124.147 -1.982 18411 15044 1 18 . 1 1 115 115 ILE HA H 115 4.119 4.119 4.085 0.034 18411 15045 1 18 . 1 1 115 115 ILE CA C 115 60.788 60.788 62.603 -1.815 18411 15046 1 18 . 1 1 115 115 ILE CB C 115 39.651 39.651 39.166 0.485 18411 15047 1 18 . 1 1 115 115 ILE H H 115 8.253 8.253 8.611 -0.358 18411 15048 1 18 . 1 1 116 116 THR N N 116 110.198 110.198 116.055 -5.857 18411 15049 1 18 . 1 1 116 116 THR HA H 116 4.101 4.101 4.165 -0.064 18411 15050 1 18 . 1 1 116 116 THR CA C 116 62.947 62.947 64.119 -1.172 18411 15051 1 18 . 1 1 116 116 THR CB C 116 69.031 69.031 67.394 1.637 18411 15052 1 18 . 1 1 116 116 THR H H 116 7.033 7.033 8.394 -1.361 18411 15053 1 18 . 1 1 117 117 ARG N N 117 130.624 130.624 122.174 8.450 18411 15054 1 18 . 1 1 117 117 ARG HA H 117 4.997 4.997 4.748 0.249 18411 15055 1 18 . 1 1 117 117 ARG C C 117 173.296 173.296 173.819 -0.523 18411 15056 1 18 . 1 1 117 117 ARG CA C 117 56.468 56.468 55.813 0.655 18411 15057 1 18 . 1 1 117 117 ARG CB C 117 31.949 31.949 35.698 -3.749 18411 15058 1 18 . 1 1 117 117 ARG H H 117 8.250 8.250 7.974 0.276 18411 15059 1 18 . 1 1 118 118 ASN N N 118 118.226 118.226 121.269 -3.043 18411 15060 1 18 . 1 1 118 118 ASN HA H 118 6.127 6.127 5.222 0.905 18411 15061 1 18 . 1 1 118 118 ASN C C 118 173.805 173.805 173.814 -0.009 18411 15062 1 18 . 1 1 118 118 ASN CA C 118 51.759 51.759 52.962 -1.203 18411 15063 1 18 . 1 1 118 118 ASN CB C 118 41.892 41.892 41.282 0.610 18411 15064 1 18 . 1 1 118 118 ASN H H 118 7.730 7.730 8.457 -0.727 18411 15065 1 18 . 1 1 119 119 VAL N N 119 120.477 120.477 125.129 -4.652 18411 15066 1 18 . 1 1 119 119 VAL HA H 119 4.766 4.766 4.627 0.139 18411 15067 1 18 . 1 1 119 119 VAL C C 119 173.809 173.809 174.237 -0.428 18411 15068 1 18 . 1 1 119 119 VAL CA C 119 60.808 60.808 61.656 -0.848 18411 15069 1 18 . 1 1 119 119 VAL CB C 119 35.887 35.887 32.566 3.321 18411 15070 1 18 . 1 1 119 119 VAL H H 119 9.269 9.269 9.196 0.073 18411 15071 1 18 . 1 1 120 120 LEU N N 120 128.017 128.017 130.178 -2.161 18411 15072 1 18 . 1 1 120 120 LEU HA H 120 5.350 5.350 4.906 0.444 18411 15073 1 18 . 1 1 120 120 LEU C C 120 174.606 174.606 174.798 -0.192 18411 15074 1 18 . 1 1 120 120 LEU CA C 120 53.563 53.563 53.695 -0.132 18411 15075 1 18 . 1 1 120 120 LEU CB C 120 46.211 46.211 45.201 1.010 18411 15076 1 18 . 1 1 120 120 LEU H H 120 8.829 8.829 9.030 -0.201 18411 15077 1 18 . 1 1 121 121 ILE N N 121 131.629 131.629 125.883 5.746 18411 15078 1 18 . 1 1 121 121 ILE HA H 121 4.799 4.799 4.727 0.072 18411 15079 1 18 . 1 1 121 121 ILE C C 121 174.731 174.731 175.504 -0.773 18411 15080 1 18 . 1 1 121 121 ILE CA C 121 60.450 60.450 57.890 2.560 18411 15081 1 18 . 1 1 121 121 ILE CB C 121 41.651 41.651 39.259 2.392 18411 15082 1 18 . 1 1 121 121 ILE H H 121 9.659 9.659 9.278 0.381 18411 15083 1 18 . 1 1 122 122 ASP N N 122 124.197 124.197 126.234 -2.037 18411 15084 1 18 . 1 1 122 122 ASP HA H 122 4.513 4.513 4.696 -0.183 18411 15085 1 18 . 1 1 122 122 ASP C C 122 177.586 177.586 177.638 -0.052 18411 15086 1 18 . 1 1 122 122 ASP CA C 122 52.442 52.442 54.057 -1.615 18411 15087 1 18 . 1 1 122 122 ASP CB C 122 41.476 41.476 42.847 -1.371 18411 15088 1 18 . 1 1 122 122 ASP H H 122 9.128 9.128 9.112 0.016 18411 15089 1 18 . 1 1 123 123 ARG N N 123 113.396 113.396 120.257 -6.861 18411 15090 1 18 . 1 1 123 123 ARG HA H 123 4.186 4.186 4.347 -0.161 18411 15091 1 18 . 1 1 123 123 ARG C C 123 178.717 178.717 177.276 1.441 18411 15092 1 18 . 1 1 123 123 ARG CA C 123 58.243 58.243 58.485 -0.242 18411 15093 1 18 . 1 1 123 123 ARG CB C 123 30.783 30.783 30.259 0.524 18411 15094 1 18 . 1 1 123 123 ARG H H 123 7.870 7.870 8.664 -0.793 18411 15095 1 18 . 1 1 124 124 GLU N N 124 117.427 117.427 117.922 -0.495 18411 15096 1 18 . 1 1 124 124 GLU HA H 124 4.310 4.310 4.173 0.137 18411 15097 1 18 . 1 1 124 124 GLU C C 124 176.034 176.034 177.191 -1.157 18411 15098 1 18 . 1 1 124 124 GLU CA C 124 56.164 56.164 57.120 -0.956 18411 15099 1 18 . 1 1 124 124 GLU CB C 124 30.541 30.541 29.986 0.555 18411 15100 1 18 . 1 1 124 124 GLU H H 124 8.155 8.155 8.826 -0.671 18411 15101 1 18 . 1 1 125 125 GLY N N 125 105.681 105.681 106.235 -0.554 18411 15102 1 18 . 1 1 125 125 GLY C C 125 174.204 174.204 173.563 0.641 18411 15103 1 18 . 1 1 125 125 GLY CA C 125 45.160 45.160 44.845 0.315 18411 15104 1 18 . 1 1 125 125 GLY H H 125 8.094 8.094 8.138 -0.044 18411 15105 1 18 . 1 1 126 126 LYS N N 126 122.326 122.326 121.560 0.766 18411 15106 1 18 . 1 1 126 126 LYS HA H 126 4.647 4.647 4.960 -0.313 18411 15107 1 18 . 1 1 126 126 LYS C C 126 176.390 176.390 176.309 0.081 18411 15108 1 18 . 1 1 126 126 LYS CA C 126 55.393 55.393 55.258 0.135 18411 15109 1 18 . 1 1 126 126 LYS CB C 126 33.569 33.569 34.065 -0.496 18411 15110 1 18 . 1 1 126 126 LYS H H 126 8.502 8.502 8.667 -0.165 18411 15111 1 18 . 1 1 127 127 ILE N N 127 121.946 121.946 124.684 -2.738 18411 15112 1 18 . 1 1 127 127 ILE HA H 127 4.048 4.048 3.988 0.060 18411 15113 1 18 . 1 1 127 127 ILE C C 127 177.735 177.735 175.910 1.825 18411 15114 1 18 . 1 1 127 127 ILE CA C 127 63.200 63.200 63.493 -0.293 18411 15115 1 18 . 1 1 127 127 ILE CB C 127 38.106 38.106 37.375 0.731 18411 15116 1 18 . 1 1 127 127 ILE H H 127 8.739 8.739 9.179 -0.440 18411 15117 1 18 . 1 1 128 128 VAL N N 128 122.026 122.026 127.977 -5.951 18411 15118 1 18 . 1 1 128 128 VAL HA H 128 4.695 4.695 4.270 0.425 18411 15119 1 18 . 1 1 128 128 VAL C C 128 175.968 175.968 174.889 1.079 18411 15120 1 18 . 1 1 128 128 VAL CA C 128 61.535 61.535 62.005 -0.470 18411 15121 1 18 . 1 1 128 128 VAL CB C 128 33.996 33.996 33.757 0.239 18411 15122 1 18 . 1 1 128 128 VAL H H 128 9.397 9.397 8.823 0.574 18411 15123 1 18 . 1 1 129 129 LYS N N 129 121.635 121.635 121.242 0.393 18411 15124 1 18 . 1 1 129 129 LYS HA H 129 4.359 4.359 4.485 -0.126 18411 15125 1 18 . 1 1 129 129 LYS C C 129 172.896 172.896 173.960 -1.064 18411 15126 1 18 . 1 1 129 129 LYS CA C 129 57.322 57.322 54.721 2.601 18411 15127 1 18 . 1 1 129 129 LYS CB C 129 36.802 36.802 33.788 3.014 18411 15128 1 18 . 1 1 129 129 LYS H H 129 7.708 7.708 7.924 -0.216 18411 15129 1 18 . 1 1 130 130 LEU N N 130 126.219 126.219 127.710 -1.491 18411 15130 1 18 . 1 1 130 130 LEU HA H 130 5.140 5.140 5.020 0.120 18411 15131 1 18 . 1 1 130 130 LEU C C 130 176.956 176.956 176.879 0.077 18411 15132 1 18 . 1 1 130 130 LEU CA C 130 53.572 53.572 53.344 0.228 18411 15133 1 18 . 1 1 130 130 LEU CB C 130 44.700 44.700 41.207 3.493 18411 15134 1 18 . 1 1 130 130 LEU H H 130 8.301 8.301 8.473 -0.172 18411 15135 1 18 . 1 1 131 131 THR N N 131 113.484 113.484 119.087 -5.603 18411 15136 1 18 . 1 1 131 131 THR HA H 131 5.136 5.136 4.691 0.445 18411 15137 1 18 . 1 1 131 131 THR C C 131 175.492 175.492 172.957 2.535 18411 15138 1 18 . 1 1 131 131 THR CA C 131 61.033 61.033 59.837 1.196 18411 15139 1 18 . 1 1 131 131 THR CB C 131 70.922 70.922 70.976 -0.054 18411 15140 1 18 . 1 1 131 131 THR H H 131 9.298 9.298 8.604 0.694 18411 15141 1 18 . 1 1 132 132 ARG HA H 132 5.150 5.150 4.626 0.524 18411 15142 1 18 . 1 1 132 132 ARG CA C 132 55.585 55.585 55.594 -0.009 18411 15143 1 18 . 1 1 132 132 ARG CB C 132 33.035 33.035 31.426 1.609 18411 15144 1 18 . 1 1 133 133 LEU N N 133 118.967 118.967 118.585 0.382 18411 15145 1 18 . 1 1 133 133 LEU HA H 133 4.302 4.302 4.118 0.184 18411 15146 1 18 . 1 1 133 133 LEU CA C 133 56.200 56.200 55.231 0.969 18411 15147 1 18 . 1 1 133 133 LEU CB C 133 41.616 41.616 41.489 0.127 18411 15148 1 18 . 1 1 133 133 LEU H H 133 8.167 8.167 8.623 -0.456 18411 15149 1 18 . 1 1 134 134 TYR N N 134 124.816 124.816 122.971 1.845 18411 15150 1 18 . 1 1 134 134 TYR HA H 134 4.963 4.963 4.491 0.472 18411 15151 1 18 . 1 1 134 134 TYR CA C 134 57.154 57.154 57.791 -0.637 18411 15152 1 18 . 1 1 134 134 TYR CB C 134 38.948 38.948 37.785 1.163 18411 15153 1 18 . 1 1 134 134 TYR H H 134 7.805 7.805 8.526 -0.721 18411 15154 1 18 . 1 1 135 135 ASN HA H 135 4.415 4.415 4.647 -0.232 18411 15155 1 18 . 1 1 135 135 ASN CA C 135 51.995 51.995 51.849 0.146 18411 15156 1 18 . 1 1 135 135 ASN CB C 135 40.521 40.521 40.451 0.070 18411 15157 1 18 . 1 1 136 136 GLU HA H 136 3.694 3.694 3.424 0.270 18411 15158 1 18 . 1 1 136 136 GLU C C 136 178.797 178.797 178.280 0.517 18411 15159 1 18 . 1 1 136 136 GLU CA C 136 61.052 61.052 60.176 0.876 18411 15160 1 18 . 1 1 136 136 GLU CB C 136 29.353 29.353 28.950 0.403 18411 15161 1 18 . 1 1 137 137 GLU N N 137 120.717 120.717 118.547 2.170 18411 15162 1 18 . 1 1 137 137 GLU HA H 137 4.176 4.176 4.131 0.045 18411 15163 1 18 . 1 1 137 137 GLU C C 137 179.707 179.707 178.979 0.728 18411 15164 1 18 . 1 1 137 137 GLU CA C 137 59.800 59.800 59.147 0.653 18411 15165 1 18 . 1 1 137 137 GLU CB C 137 29.284 29.284 28.855 0.429 18411 15166 1 18 . 1 1 137 137 GLU H H 137 8.364 8.364 8.511 -0.147 18411 15167 1 18 . 1 1 138 138 GLU N N 138 122.448 122.448 120.593 1.855 18411 15168 1 18 . 1 1 138 138 GLU HA H 138 4.190 4.190 4.107 0.083 18411 15169 1 18 . 1 1 138 138 GLU C C 138 179.927 179.927 178.363 1.564 18411 15170 1 18 . 1 1 138 138 GLU CA C 138 59.129 59.129 58.965 0.165 18411 15171 1 18 . 1 1 138 138 GLU CB C 138 30.064 30.064 28.769 1.295 18411 15172 1 18 . 1 1 138 138 GLU H H 138 8.448 8.448 8.181 0.267 18411 15173 1 18 . 1 1 139 139 PHE N N 139 122.454 122.454 120.451 2.003 18411 15174 1 18 . 1 1 139 139 PHE HA H 139 4.171 4.171 4.162 0.009 18411 15175 1 18 . 1 1 139 139 PHE C C 139 177.370 177.370 176.929 0.441 18411 15176 1 18 . 1 1 139 139 PHE CA C 139 62.690 62.690 61.520 1.170 18411 15177 1 18 . 1 1 139 139 PHE CB C 139 39.579 39.579 38.934 0.645 18411 15178 1 18 . 1 1 139 139 PHE H H 139 8.895 8.895 8.528 0.367 18411 15179 1 18 . 1 1 140 140 ALA N N 140 120.155 120.155 121.300 -1.145 18411 15180 1 18 . 1 1 140 140 ALA HA H 140 4.100 4.100 3.843 0.257 18411 15181 1 18 . 1 1 140 140 ALA C C 140 181.270 181.270 179.470 1.800 18411 15182 1 18 . 1 1 140 140 ALA CA C 140 55.203 55.203 55.495 -0.292 18411 15183 1 18 . 1 1 140 140 ALA CB C 140 17.716 17.716 17.874 -0.158 18411 15184 1 18 . 1 1 140 140 ALA H H 140 8.240 8.240 8.079 0.161 18411 15185 1 18 . 1 1 141 141 SER N N 141 114.095 114.095 115.308 -1.213 18411 15186 1 18 . 1 1 141 141 SER HA H 141 4.267 4.267 4.135 0.132 18411 15187 1 18 . 1 1 141 141 SER C C 141 176.895 176.895 176.555 0.340 18411 15188 1 18 . 1 1 141 141 SER CA C 141 61.291 61.291 62.546 -1.255 18411 15189 1 18 . 1 1 141 141 SER CB C 141 62.690 62.690 62.993 -0.303 18411 15190 1 18 . 1 1 141 141 SER H H 141 7.835 7.835 7.903 -0.068 18411 15191 1 18 . 1 1 142 142 LEU N N 142 126.764 126.764 122.937 3.827 18411 15192 1 18 . 1 1 142 142 LEU HA H 142 3.908 3.908 3.932 -0.024 18411 15193 1 18 . 1 1 142 142 LEU C C 142 176.876 176.876 178.099 -1.223 18411 15194 1 18 . 1 1 142 142 LEU CA C 142 58.757 58.757 57.980 0.777 18411 15195 1 18 . 1 1 142 142 LEU CB C 142 41.653 41.653 41.892 -0.240 18411 15196 1 18 . 1 1 142 142 LEU H H 142 7.833 7.833 8.189 -0.356 18411 15197 1 18 . 1 1 143 143 VAL N N 143 119.066 119.066 118.928 0.138 18411 15198 1 18 . 1 1 143 143 VAL HA H 143 3.174 3.174 3.377 -0.203 18411 15199 1 18 . 1 1 143 143 VAL C C 143 178.479 178.479 178.088 0.391 18411 15200 1 18 . 1 1 143 143 VAL CA C 143 66.864 66.864 66.975 -0.111 18411 15201 1 18 . 1 1 143 143 VAL CB C 143 32.350 32.350 31.345 1.005 18411 15202 1 18 . 1 1 143 143 VAL H H 143 8.010 8.010 8.318 -0.308 18411 15203 1 18 . 1 1 144 144 GLN N N 144 118.170 118.170 117.500 0.670 18411 15204 1 18 . 1 1 144 144 GLN HA H 144 4.028 4.028 3.947 0.081 18411 15205 1 18 . 1 1 144 144 GLN C C 144 178.335 178.335 178.335 0.000 18411 15206 1 18 . 1 1 144 144 GLN CA C 144 59.591 59.591 58.701 0.890 18411 15207 1 18 . 1 1 144 144 GLN CB C 144 32.906 32.906 27.870 5.036 18411 15208 1 18 . 1 1 144 144 GLN H H 144 7.935 7.935 7.748 0.187 18411 15209 1 18 . 1 1 145 145 GLN N N 145 119.839 119.839 120.125 -0.286 18411 15210 1 18 . 1 1 145 145 GLN HA H 145 4.029 4.029 4.038 -0.009 18411 15211 1 18 . 1 1 145 145 GLN C C 145 178.686 178.686 178.466 0.220 18411 15212 1 18 . 1 1 145 145 GLN CA C 145 59.270 59.270 59.058 0.212 18411 15213 1 18 . 1 1 145 145 GLN CB C 145 27.587 27.587 28.660 -1.073 18411 15214 1 18 . 1 1 145 145 GLN H H 145 7.986 7.986 7.977 0.009 18411 15215 1 18 . 1 1 146 146 ILE N N 146 119.900 119.900 119.795 0.105 18411 15216 1 18 . 1 1 146 146 ILE HA H 146 3.345 3.345 3.675 -0.330 18411 15217 1 18 . 1 1 146 146 ILE C C 146 177.393 177.393 177.966 -0.573 18411 15218 1 18 . 1 1 146 146 ILE CA C 146 66.902 66.902 65.198 1.704 18411 15219 1 18 . 1 1 146 146 ILE CB C 146 38.281 38.281 37.689 0.592 18411 15220 1 18 . 1 1 146 146 ILE H H 146 8.171 8.171 8.269 -0.098 18411 15221 1 18 . 1 1 147 147 ASN N N 147 116.163 116.163 117.959 -1.796 18411 15222 1 18 . 1 1 147 147 ASN HA H 147 4.196 4.196 4.282 -0.086 18411 15223 1 18 . 1 1 147 147 ASN C C 147 179.035 179.035 177.975 1.060 18411 15224 1 18 . 1 1 147 147 ASN CA C 147 56.348 56.348 56.225 0.123 18411 15225 1 18 . 1 1 147 147 ASN CB C 147 38.062 38.062 37.777 0.285 18411 15226 1 18 . 1 1 147 147 ASN H H 147 7.896 7.896 8.429 -0.533 18411 15227 1 18 . 1 1 148 148 GLU N N 148 118.645 118.645 120.515 -1.870 18411 15228 1 18 . 1 1 148 148 GLU HA H 148 3.970 3.970 4.102 -0.132 18411 15229 1 18 . 1 1 148 148 GLU C C 148 179.964 179.964 178.941 1.023 18411 15230 1 18 . 1 1 148 148 GLU CA C 148 59.340 59.340 58.628 0.712 18411 15231 1 18 . 1 1 148 148 GLU CB C 148 29.572 29.572 29.240 0.332 18411 15232 1 18 . 1 1 148 148 GLU H H 148 8.311 8.311 7.837 0.474 18411 15233 1 18 . 1 1 149 149 MET N N 149 119.218 119.218 118.076 1.142 18411 15234 1 18 . 1 1 149 149 MET HA H 149 4.140 4.140 4.002 0.138 18411 15235 1 18 . 1 1 149 149 MET C C 149 179.419 179.419 177.671 1.748 18411 15236 1 18 . 1 1 149 149 MET CA C 149 59.040 59.040 59.696 -0.656 18411 15237 1 18 . 1 1 149 149 MET CB C 149 35.293 35.293 32.780 2.513 18411 15238 1 18 . 1 1 149 149 MET H H 149 8.527 8.527 7.675 0.853 18411 15239 1 18 . 1 1 150 150 LEU N N 150 118.078 118.078 113.242 4.836 18411 15240 1 18 . 1 1 150 150 LEU HA H 150 4.245 4.245 4.374 -0.129 18411 15241 1 18 . 1 1 150 150 LEU C C 150 178.141 178.141 178.078 0.063 18411 15242 1 18 . 1 1 150 150 LEU CA C 150 55.824 55.824 55.481 0.343 18411 15243 1 18 . 1 1 150 150 LEU CB C 150 41.533 41.533 41.068 0.465 18411 15244 1 18 . 1 1 150 150 LEU H H 150 7.917 7.917 7.436 0.481 18411 15245 1 18 . 1 1 151 151 LYS N N 151 120.096 120.096 118.893 1.203 18411 15246 1 18 . 1 1 151 151 LYS HA H 151 4.181 4.181 4.112 0.069 18411 15247 1 18 . 1 1 151 151 LYS C C 151 177.029 177.029 177.744 -0.715 18411 15248 1 18 . 1 1 151 151 LYS CA C 151 57.490 57.490 58.023 -0.533 18411 15249 1 18 . 1 1 151 151 LYS CB C 151 32.921 32.921 32.986 -0.065 18411 15250 1 18 . 1 1 151 151 LYS H H 151 7.466 7.466 7.512 -0.046 18411 15251 1 18 . 1 1 152 152 GLU N N 152 120.188 120.188 117.163 3.025 18411 15252 1 18 . 1 1 152 152 GLU HA H 152 4.264 4.264 3.679 0.585 18411 15253 1 18 . 1 1 152 152 GLU C C 152 177.259 177.259 177.438 -0.179 18411 15254 1 18 . 1 1 152 152 GLU CA C 152 57.070 57.070 58.022 -0.952 18411 15255 1 18 . 1 1 152 152 GLU CB C 152 30.385 30.385 27.644 2.741 18411 15256 1 18 . 1 1 152 152 GLU H H 152 7.820 7.820 8.499 -0.679 18411 15257 1 18 . 1 1 153 153 GLY N N 153 109.046 109.046 108.537 0.509 18411 15258 1 18 . 1 1 153 153 GLY C C 153 174.204 174.204 174.479 -0.275 18411 15259 1 18 . 1 1 153 153 GLY CA C 153 45.327 45.327 45.288 0.038 18411 15260 1 18 . 1 1 153 153 GLY H H 153 8.278 8.278 7.861 0.417 18411 15261 1 18 . 1 1 158 158 HIS HA H 158 4.606 4.606 4.491 0.115 18411 15262 1 18 . 1 1 158 158 HIS C C 158 174.423 174.423 173.872 0.551 18411 15263 1 18 . 1 1 158 158 HIS CA C 158 56.235 56.235 56.060 0.175 18411 15264 1 18 . 1 1 158 158 HIS CB C 158 31.028 31.028 30.352 0.676 18411 15265 1 19 . 1 1 3 3 LEU HA H 3 3.930 3.930 4.472 -0.542 18411 15266 1 19 . 1 1 3 3 LEU CA C 3 58.669 58.669 54.753 3.916 18411 15267 1 19 . 1 1 3 3 LEU CB C 3 42.010 42.010 40.755 1.255 18411 15268 1 19 . 1 1 4 4 GLY C C 4 173.604 173.604 173.234 0.370 18411 15269 1 19 . 1 1 4 4 GLY CA C 4 46.072 46.072 44.266 1.806 18411 15270 1 19 . 1 1 5 5 TYR N N 5 116.195 116.195 124.455 -8.260 18411 15271 1 19 . 1 1 5 5 TYR HA H 5 4.769 4.769 4.393 0.376 18411 15272 1 19 . 1 1 5 5 TYR C C 5 177.898 177.898 176.511 1.387 18411 15273 1 19 . 1 1 5 5 TYR CA C 5 60.102 60.102 58.611 1.491 18411 15274 1 19 . 1 1 5 5 TYR CB C 5 39.615 39.615 38.206 1.409 18411 15275 1 19 . 1 1 5 5 TYR H H 5 7.849 7.849 7.831 0.018 18411 15276 1 19 . 1 1 6 6 ILE N N 6 115.338 115.338 120.527 -5.189 18411 15277 1 19 . 1 1 6 6 ILE HA H 6 4.514 4.514 4.315 0.199 18411 15278 1 19 . 1 1 6 6 ILE C C 6 175.977 175.977 175.323 0.654 18411 15279 1 19 . 1 1 6 6 ILE CA C 6 61.623 61.623 61.692 -0.069 18411 15280 1 19 . 1 1 6 6 ILE CB C 6 38.270 38.270 37.962 0.308 18411 15281 1 19 . 1 1 6 6 ILE H H 6 8.687 8.687 8.098 0.589 18411 15282 1 19 . 1 1 7 7 VAL N N 7 113.122 113.122 119.320 -6.198 18411 15283 1 19 . 1 1 7 7 VAL HA H 7 4.730 4.730 4.272 0.458 18411 15284 1 19 . 1 1 7 7 VAL C C 7 174.331 174.331 175.496 -1.165 18411 15285 1 19 . 1 1 7 7 VAL CA C 7 58.867 58.867 60.240 -1.373 18411 15286 1 19 . 1 1 7 7 VAL CB C 7 34.475 34.475 35.155 -0.680 18411 15287 1 19 . 1 1 7 7 VAL H H 7 6.845 6.845 7.485 -0.640 18411 15288 1 19 . 1 1 8 8 ARG N N 8 117.597 117.597 122.596 -4.999 18411 15289 1 19 . 1 1 8 8 ARG HA H 8 4.539 4.539 4.556 -0.017 18411 15290 1 19 . 1 1 8 8 ARG C C 8 175.618 175.618 176.155 -0.537 18411 15291 1 19 . 1 1 8 8 ARG CA C 8 53.717 53.717 54.444 -0.727 18411 15292 1 19 . 1 1 8 8 ARG CB C 8 34.126 34.126 32.309 1.817 18411 15293 1 19 . 1 1 8 8 ARG H H 8 7.978 7.978 8.324 -0.346 18411 15294 1 19 . 1 1 9 9 ILE N N 9 118.377 118.377 121.293 -2.916 18411 15295 1 19 . 1 1 9 9 ILE HA H 9 3.465 3.465 4.298 -0.833 18411 15296 1 19 . 1 1 9 9 ILE C C 9 177.771 177.771 177.429 0.342 18411 15297 1 19 . 1 1 9 9 ILE CA C 9 62.350 62.350 62.120 0.230 18411 15298 1 19 . 1 1 9 9 ILE CB C 9 37.049 37.049 37.370 -0.321 18411 15299 1 19 . 1 1 9 9 ILE H H 9 8.085 8.085 8.476 -0.391 18411 15300 1 19 . 1 1 10 10 GLY N N 10 115.204 115.204 116.574 -1.370 18411 15301 1 19 . 1 1 10 10 GLY C C 10 174.235 174.235 174.001 0.234 18411 15302 1 19 . 1 1 10 10 GLY CA C 10 44.763 44.763 44.514 0.249 18411 15303 1 19 . 1 1 10 10 GLY H H 10 9.149 9.149 9.045 0.104 18411 15304 1 19 . 1 1 11 11 GLU N N 11 119.157 119.157 121.041 -1.884 18411 15305 1 19 . 1 1 11 11 GLU HA H 11 4.392 4.392 4.309 0.083 18411 15306 1 19 . 1 1 11 11 GLU C C 11 176.729 176.729 176.679 0.050 18411 15307 1 19 . 1 1 11 11 GLU CA C 11 55.108 55.108 55.879 -0.771 18411 15308 1 19 . 1 1 11 11 GLU CB C 11 31.473 31.473 30.533 0.940 18411 15309 1 19 . 1 1 11 11 GLU H H 11 7.631 7.631 7.646 -0.015 18411 15310 1 19 . 1 1 12 12 MET N N 12 119.646 119.646 124.576 -4.930 18411 15311 1 19 . 1 1 12 12 MET HA H 12 4.593 4.593 4.466 0.127 18411 15312 1 19 . 1 1 12 12 MET C C 12 177.162 177.162 176.326 0.836 18411 15313 1 19 . 1 1 12 12 MET CA C 12 54.475 54.475 55.376 -0.901 18411 15314 1 19 . 1 1 12 12 MET CB C 12 30.749 30.749 31.356 -0.607 18411 15315 1 19 . 1 1 12 12 MET H H 12 8.566 8.566 8.565 0.001 18411 15316 1 19 . 1 1 13 13 ALA N N 13 129.735 129.735 130.896 -1.161 18411 15317 1 19 . 1 1 13 13 ALA HA H 13 4.293 4.293 4.476 -0.183 18411 15318 1 19 . 1 1 13 13 ALA C C 13 175.992 175.992 175.870 0.122 18411 15319 1 19 . 1 1 13 13 ALA CA C 13 50.676 50.676 50.934 -0.258 18411 15320 1 19 . 1 1 13 13 ALA CB C 13 18.125 18.125 18.713 -0.588 18411 15321 1 19 . 1 1 13 13 ALA H H 13 8.626 8.626 8.857 -0.231 18411 15322 1 19 . 1 1 14 14 PRO HA H 14 4.253 4.253 4.492 -0.239 18411 15323 1 19 . 1 1 14 14 PRO C C 14 176.066 176.066 176.106 -0.040 18411 15324 1 19 . 1 1 14 14 PRO CA C 14 63.478 63.478 62.041 1.437 18411 15325 1 19 . 1 1 14 14 PRO CB C 14 32.987 32.987 32.400 0.587 18411 15326 1 19 . 1 1 15 15 ASP N N 15 123.075 123.075 118.759 4.316 18411 15327 1 19 . 1 1 15 15 ASP HA H 15 4.700 4.700 4.440 0.260 18411 15328 1 19 . 1 1 15 15 ASP C C 15 176.067 176.067 175.241 0.826 18411 15329 1 19 . 1 1 15 15 ASP CA C 15 53.628 53.628 53.858 -0.230 18411 15330 1 19 . 1 1 15 15 ASP CB C 15 41.613 41.613 41.988 -0.375 18411 15331 1 19 . 1 1 15 15 ASP H H 15 8.373 8.373 8.344 0.029 18411 15332 1 19 . 1 1 16 16 PHE N N 16 114.256 114.256 112.330 1.926 18411 15333 1 19 . 1 1 16 16 PHE HA H 16 4.869 4.869 4.816 0.053 18411 15334 1 19 . 1 1 16 16 PHE C C 16 173.028 173.028 173.341 -0.313 18411 15335 1 19 . 1 1 16 16 PHE CA C 16 56.721 56.721 57.449 -0.728 18411 15336 1 19 . 1 1 16 16 PHE CB C 16 40.560 40.560 39.531 1.029 18411 15337 1 19 . 1 1 16 16 PHE H H 16 7.950 7.950 7.948 0.002 18411 15338 1 19 . 1 1 17 17 THR N N 17 116.459 116.459 119.022 -2.563 18411 15339 1 19 . 1 1 17 17 THR HA H 17 5.244 5.244 5.406 -0.162 18411 15340 1 19 . 1 1 17 17 THR C C 17 172.722 172.722 173.561 -0.839 18411 15341 1 19 . 1 1 17 17 THR CA C 17 62.061 62.061 61.520 0.541 18411 15342 1 19 . 1 1 17 17 THR CB C 17 70.882 70.882 69.644 1.238 18411 15343 1 19 . 1 1 17 17 THR H H 17 8.596 8.596 8.516 0.080 18411 15344 1 19 . 1 1 18 18 ILE N N 18 128.165 128.165 128.000 0.165 18411 15345 1 19 . 1 1 18 18 ILE HA H 18 4.995 4.995 4.599 0.396 18411 15346 1 19 . 1 1 18 18 ILE C C 18 172.309 172.309 173.837 -1.528 18411 15347 1 19 . 1 1 18 18 ILE CA C 18 59.123 59.123 59.136 -0.014 18411 15348 1 19 . 1 1 18 18 ILE CB C 18 43.984 43.984 41.869 2.115 18411 15349 1 19 . 1 1 18 18 ILE H H 18 9.574 9.574 9.265 0.309 18411 15350 1 19 . 1 1 19 19 THR N N 19 124.473 124.473 125.187 -0.714 18411 15351 1 19 . 1 1 19 19 THR HA H 19 4.821 4.821 4.627 0.194 18411 15352 1 19 . 1 1 19 19 THR C C 19 174.104 174.104 174.353 -0.249 18411 15353 1 19 . 1 1 19 19 THR CA C 19 62.316 62.316 62.705 -0.389 18411 15354 1 19 . 1 1 19 19 THR CB C 19 69.287 69.287 68.942 0.345 18411 15355 1 19 . 1 1 19 19 THR H H 19 9.081 9.081 8.773 0.308 18411 15356 1 19 . 1 1 20 20 LEU N N 20 125.167 125.167 127.846 -2.679 18411 15357 1 19 . 1 1 20 20 LEU HA H 20 5.082 5.082 4.729 0.353 18411 15358 1 19 . 1 1 20 20 LEU C C 20 181.023 181.023 179.283 1.740 18411 15359 1 19 . 1 1 20 20 LEU CA C 20 54.191 54.191 54.179 0.012 18411 15360 1 19 . 1 1 20 20 LEU CB C 20 42.219 42.219 42.734 -0.515 18411 15361 1 19 . 1 1 20 20 LEU H H 20 9.227 9.227 9.170 0.057 18411 15362 1 19 . 1 1 21 21 THR N N 21 109.887 109.887 114.052 -4.165 18411 15363 1 19 . 1 1 21 21 THR HA H 21 3.831 3.831 4.017 -0.186 18411 15364 1 19 . 1 1 21 21 THR C C 21 174.716 174.716 175.238 -0.522 18411 15365 1 19 . 1 1 21 21 THR CA C 21 64.992 64.992 65.375 -0.383 18411 15366 1 19 . 1 1 21 21 THR CB C 21 68.529 68.529 68.767 -0.238 18411 15367 1 19 . 1 1 21 21 THR H H 21 8.603 8.603 8.896 -0.293 18411 15368 1 19 . 1 1 22 22 ASP N N 22 117.311 117.311 120.411 -3.100 18411 15369 1 19 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.797 -0.203 18411 15370 1 19 . 1 1 22 22 ASP C C 22 177.771 177.771 176.257 1.514 18411 15371 1 19 . 1 1 22 22 ASP CA C 22 53.173 53.173 53.881 -0.708 18411 15372 1 19 . 1 1 22 22 ASP CB C 22 40.449 40.449 39.656 0.793 18411 15373 1 19 . 1 1 22 22 ASP H H 22 7.530 7.530 7.925 -0.395 18411 15374 1 19 . 1 1 23 23 GLY N N 23 108.847 108.847 108.246 0.601 18411 15375 1 19 . 1 1 23 23 GLY C C 23 174.806 174.806 173.932 0.874 18411 15376 1 19 . 1 1 23 23 GLY CA C 23 45.028 45.028 45.657 -0.629 18411 15377 1 19 . 1 1 23 23 GLY H H 23 8.203 8.203 8.047 0.156 18411 15378 1 19 . 1 1 24 24 LYS N N 24 122.092 122.092 120.749 1.343 18411 15379 1 19 . 1 1 24 24 LYS HA H 24 4.267 4.267 4.539 -0.272 18411 15380 1 19 . 1 1 24 24 LYS C C 24 175.350 175.350 175.615 -0.265 18411 15381 1 19 . 1 1 24 24 LYS CA C 24 57.060 57.060 54.498 2.562 18411 15382 1 19 . 1 1 24 24 LYS CB C 24 33.271 33.271 33.001 0.270 18411 15383 1 19 . 1 1 24 24 LYS H H 24 7.881 7.881 7.537 0.344 18411 15384 1 19 . 1 1 25 25 GLN N N 25 119.585 119.585 125.066 -5.481 18411 15385 1 19 . 1 1 25 25 GLN HA H 25 5.561 5.561 5.165 0.396 18411 15386 1 19 . 1 1 25 25 GLN C C 25 176.631 176.631 175.849 0.782 18411 15387 1 19 . 1 1 25 25 GLN CA C 25 54.572 54.572 55.417 -0.845 18411 15388 1 19 . 1 1 25 25 GLN CB C 25 31.621 31.621 29.472 2.149 18411 15389 1 19 . 1 1 25 25 GLN H H 25 8.365 8.365 8.745 -0.380 18411 15390 1 19 . 1 1 26 26 VAL N N 26 123.115 123.115 121.454 1.661 18411 15391 1 19 . 1 1 26 26 VAL HA H 26 4.466 4.466 4.602 -0.136 18411 15392 1 19 . 1 1 26 26 VAL C C 26 174.390 174.390 174.528 -0.138 18411 15393 1 19 . 1 1 26 26 VAL CA C 26 61.142 61.142 59.866 1.276 18411 15394 1 19 . 1 1 26 26 VAL CB C 26 35.962 35.962 34.556 1.406 18411 15395 1 19 . 1 1 26 26 VAL H H 26 9.069 9.069 8.996 0.073 18411 15396 1 19 . 1 1 27 27 THR N N 27 122.509 122.509 119.518 2.991 18411 15397 1 19 . 1 1 27 27 THR HA H 27 5.437 5.437 5.236 0.201 18411 15398 1 19 . 1 1 27 27 THR C C 27 176.330 176.330 175.545 0.785 18411 15399 1 19 . 1 1 27 27 THR CA C 27 60.068 60.068 60.595 -0.527 18411 15400 1 19 . 1 1 27 27 THR CB C 27 70.655 70.655 70.781 -0.126 18411 15401 1 19 . 1 1 27 27 THR H H 27 8.256 8.256 8.207 0.049 18411 15402 1 19 . 1 1 28 28 LEU N N 28 131.816 131.816 126.336 5.480 18411 15403 1 19 . 1 1 28 28 LEU HA H 28 3.607 3.607 3.724 -0.117 18411 15404 1 19 . 1 1 28 28 LEU C C 28 180.093 180.093 177.710 2.383 18411 15405 1 19 . 1 1 28 28 LEU CA C 28 59.264 59.264 57.380 1.883 18411 15406 1 19 . 1 1 28 28 LEU CB C 28 39.396 39.396 40.958 -1.562 18411 15407 1 19 . 1 1 28 28 LEU H H 28 8.311 8.311 8.316 -0.005 18411 15408 1 19 . 1 1 29 29 SER N N 29 114.727 114.727 113.537 1.190 18411 15409 1 19 . 1 1 29 29 SER HA H 29 4.003 4.003 4.096 -0.093 18411 15410 1 19 . 1 1 29 29 SER C C 29 177.762 177.762 176.518 1.244 18411 15411 1 19 . 1 1 29 29 SER CA C 29 60.896 60.896 61.034 -0.138 18411 15412 1 19 . 1 1 29 29 SER CB C 29 61.091 61.091 62.651 -1.560 18411 15413 1 19 . 1 1 29 29 SER H H 29 9.491 9.491 8.598 0.893 18411 15414 1 19 . 1 1 30 30 SER N N 30 119.100 119.100 117.176 1.924 18411 15415 1 19 . 1 1 30 30 SER HA H 30 4.476 4.476 4.324 0.152 18411 15416 1 19 . 1 1 30 30 SER C C 30 175.104 175.104 175.145 -0.041 18411 15417 1 19 . 1 1 30 30 SER CA C 30 60.661 60.661 59.988 0.673 18411 15418 1 19 . 1 1 30 30 SER CB C 30 63.174 63.174 63.558 -0.384 18411 15419 1 19 . 1 1 30 30 SER H H 30 7.878 7.878 7.719 0.159 18411 15420 1 19 . 1 1 31 31 LEU N N 31 121.415 121.415 118.762 2.653 18411 15421 1 19 . 1 1 31 31 LEU HA H 31 4.258 4.258 4.497 -0.239 18411 15422 1 19 . 1 1 31 31 LEU C C 31 175.710 175.710 175.984 -0.274 18411 15423 1 19 . 1 1 31 31 LEU CA C 31 53.804 53.804 53.615 0.189 18411 15424 1 19 . 1 1 31 31 LEU CB C 31 41.285 41.285 42.069 -0.784 18411 15425 1 19 . 1 1 31 31 LEU H H 31 8.026 8.026 7.324 0.702 18411 15426 1 19 . 1 1 32 32 ARG N N 32 119.061 119.061 121.080 -2.019 18411 15427 1 19 . 1 1 32 32 ARG HA H 32 4.411 4.411 4.098 0.313 18411 15428 1 19 . 1 1 32 32 ARG C C 32 177.585 177.585 176.671 0.914 18411 15429 1 19 . 1 1 32 32 ARG CA C 32 57.590 57.590 57.036 0.554 18411 15430 1 19 . 1 1 32 32 ARG CB C 32 29.497 29.497 28.476 1.021 18411 15431 1 19 . 1 1 32 32 ARG H H 32 6.788 6.788 7.169 -0.381 18411 15432 1 19 . 1 1 33 33 GLY N N 33 114.033 114.033 112.032 2.001 18411 15433 1 19 . 1 1 33 33 GLY C C 33 173.456 173.456 174.153 -0.697 18411 15434 1 19 . 1 1 33 33 GLY CA C 33 44.684 44.684 44.708 -0.024 18411 15435 1 19 . 1 1 33 33 GLY H H 33 9.120 9.120 8.100 1.020 18411 15436 1 19 . 1 1 34 34 LYS N N 34 120.270 120.270 121.516 -1.246 18411 15437 1 19 . 1 1 34 34 LYS HA H 34 4.606 4.606 4.669 -0.063 18411 15438 1 19 . 1 1 34 34 LYS C C 34 175.350 175.350 176.592 -1.242 18411 15439 1 19 . 1 1 34 34 LYS CA C 34 54.786 54.786 54.919 -0.133 18411 15440 1 19 . 1 1 34 34 LYS CB C 34 34.125 34.125 34.783 -0.658 18411 15441 1 19 . 1 1 34 34 LYS H H 34 8.146 8.146 7.895 0.251 18411 15442 1 19 . 1 1 35 35 VAL N N 35 122.059 122.059 117.368 4.691 18411 15443 1 19 . 1 1 35 35 VAL HA H 35 4.020 4.020 4.509 -0.489 18411 15444 1 19 . 1 1 35 35 VAL C C 35 174.699 174.699 174.782 -0.083 18411 15445 1 19 . 1 1 35 35 VAL CA C 35 63.108 63.108 61.688 1.419 18411 15446 1 19 . 1 1 35 35 VAL CB C 35 33.022 33.022 31.457 1.565 18411 15447 1 19 . 1 1 35 35 VAL H H 35 8.757 8.757 8.619 0.138 18411 15448 1 19 . 1 1 36 36 VAL N N 36 125.815 125.815 127.776 -1.961 18411 15449 1 19 . 1 1 36 36 VAL HA H 36 4.856 4.856 4.488 0.368 18411 15450 1 19 . 1 1 36 36 VAL C C 36 174.622 174.622 174.804 -0.182 18411 15451 1 19 . 1 1 36 36 VAL CA C 36 60.078 60.078 60.698 -0.620 18411 15452 1 19 . 1 1 36 36 VAL CB C 36 35.605 35.605 32.641 2.964 18411 15453 1 19 . 1 1 36 36 VAL H H 36 8.485 8.485 8.605 -0.120 18411 15454 1 19 . 1 1 37 37 MET N N 37 126.478 126.478 128.912 -2.434 18411 15455 1 19 . 1 1 37 37 MET HA H 37 5.383 5.383 5.160 0.223 18411 15456 1 19 . 1 1 37 37 MET C C 37 173.473 173.473 173.701 -0.228 18411 15457 1 19 . 1 1 37 37 MET CA C 37 53.661 53.661 54.311 -0.650 18411 15458 1 19 . 1 1 37 37 MET CB C 37 35.948 35.948 35.207 0.741 18411 15459 1 19 . 1 1 37 37 MET H H 37 8.694 8.694 9.072 -0.378 18411 15460 1 19 . 1 1 38 38 LEU N N 38 124.275 124.275 127.476 -3.201 18411 15461 1 19 . 1 1 38 38 LEU HA H 38 5.100 5.100 5.104 -0.004 18411 15462 1 19 . 1 1 38 38 LEU C C 38 175.828 175.828 175.135 0.693 18411 15463 1 19 . 1 1 38 38 LEU CA C 38 52.144 52.144 52.672 -0.528 18411 15464 1 19 . 1 1 38 38 LEU CB C 38 42.898 42.898 41.626 1.272 18411 15465 1 19 . 1 1 38 38 LEU H H 38 9.181 9.181 9.180 0.001 18411 15466 1 19 . 1 1 39 39 GLN N N 39 124.390 124.390 124.691 -0.301 18411 15467 1 19 . 1 1 39 39 GLN HA H 39 5.369 5.369 4.863 0.506 18411 15468 1 19 . 1 1 39 39 GLN C C 39 175.696 175.696 174.606 1.090 18411 15469 1 19 . 1 1 39 39 GLN CA C 39 54.025 54.025 53.675 0.350 18411 15470 1 19 . 1 1 39 39 GLN CB C 39 28.735 28.735 30.765 -2.030 18411 15471 1 19 . 1 1 39 39 GLN H H 39 8.325 8.325 8.524 -0.199 18411 15472 1 19 . 1 1 40 40 PHE N N 40 128.800 128.800 128.560 0.240 18411 15473 1 19 . 1 1 40 40 PHE HA H 40 5.182 5.182 5.210 -0.028 18411 15474 1 19 . 1 1 40 40 PHE C C 40 175.432 175.432 175.735 -0.303 18411 15475 1 19 . 1 1 40 40 PHE CA C 40 59.370 59.370 58.492 0.878 18411 15476 1 19 . 1 1 40 40 PHE CB C 40 39.256 39.256 39.697 -0.441 18411 15477 1 19 . 1 1 40 40 PHE H H 40 8.899 8.899 8.904 -0.005 18411 15478 1 19 . 1 1 41 41 THR N N 41 117.616 117.616 116.604 1.012 18411 15479 1 19 . 1 1 41 41 THR HA H 41 5.274 5.274 4.689 0.585 18411 15480 1 19 . 1 1 41 41 THR C C 41 170.795 170.795 172.468 -1.673 18411 15481 1 19 . 1 1 41 41 THR CA C 41 59.448 59.448 59.276 0.172 18411 15482 1 19 . 1 1 41 41 THR CB C 41 70.892 70.892 70.822 0.070 18411 15483 1 19 . 1 1 41 41 THR H H 41 8.589 8.589 9.021 -0.432 18411 15484 1 19 . 1 1 42 42 ALA N N 42 122.005 122.005 123.257 -1.252 18411 15485 1 19 . 1 1 42 42 ALA HA H 42 4.162 4.162 4.812 -0.650 18411 15486 1 19 . 1 1 42 42 ALA C C 42 177.618 177.618 176.653 0.965 18411 15487 1 19 . 1 1 42 42 ALA CA C 42 52.454 52.454 50.178 2.276 18411 15488 1 19 . 1 1 42 42 ALA CB C 42 20.704 20.704 20.568 0.136 18411 15489 1 19 . 1 1 42 42 ALA H H 42 7.201 7.201 7.930 -0.729 18411 15490 1 19 . 1 1 43 43 SER N N 43 117.426 117.426 118.409 -0.983 18411 15491 1 19 . 1 1 43 43 SER HA H 43 1.542 1.542 2.550 -1.008 18411 15492 1 19 . 1 1 43 43 SER C C 43 174.845 174.845 174.077 0.768 18411 15493 1 19 . 1 1 43 43 SER CA C 43 60.202 60.202 59.939 0.263 18411 15494 1 19 . 1 1 43 43 SER CB C 43 63.040 63.040 63.030 0.010 18411 15495 1 19 . 1 1 43 43 SER H H 43 9.472 9.472 8.438 1.034 18411 15496 1 19 . 1 1 44 44 TRP N N 44 116.512 116.512 115.762 0.750 18411 15497 1 19 . 1 1 44 44 TRP HA H 44 4.495 4.495 4.808 -0.313 18411 15498 1 19 . 1 1 44 44 TRP C C 44 176.297 176.297 175.392 0.905 18411 15499 1 19 . 1 1 44 44 TRP CA C 44 53.405 53.405 53.887 -0.482 18411 15500 1 19 . 1 1 44 44 TRP CB C 44 29.450 29.450 29.046 0.404 18411 15501 1 19 . 1 1 44 44 TRP H H 44 6.345 6.345 6.331 0.014 18411 15502 1 19 . 1 1 45 45 CYS N N 45 125.015 125.015 122.548 2.467 18411 15503 1 19 . 1 1 45 45 CYS HA H 45 4.501 4.501 4.691 -0.190 18411 15504 1 19 . 1 1 45 45 CYS C C 45 176.409 176.409 176.390 0.019 18411 15505 1 19 . 1 1 45 45 CYS CA C 45 58.904 58.904 57.847 1.057 18411 15506 1 19 . 1 1 45 45 CYS CB C 45 28.203 28.203 28.634 -0.431 18411 15507 1 19 . 1 1 45 45 CYS H H 45 6.982 6.982 7.518 -0.536 18411 15508 1 19 . 1 1 46 46 GLY CA C 46 47.225 47.225 46.902 0.323 18411 15509 1 19 . 1 1 47 47 VAL HA H 47 3.804 3.804 3.816 -0.012 18411 15510 1 19 . 1 1 47 47 VAL CA C 47 66.661 66.661 65.452 1.209 18411 15511 1 19 . 1 1 47 47 VAL CB C 47 31.506 31.506 31.476 0.030 18411 15512 1 19 . 1 1 48 48 CYS HA H 48 3.875 3.875 4.372 -0.497 18411 15513 1 19 . 1 1 48 48 CYS C C 48 177.961 177.961 176.013 1.948 18411 15514 1 19 . 1 1 48 48 CYS CA C 48 65.053 65.053 62.103 2.950 18411 15515 1 19 . 1 1 48 48 CYS CB C 48 28.741 28.741 26.616 2.125 18411 15516 1 19 . 1 1 49 49 ARG N N 49 115.039 115.039 117.263 -2.224 18411 15517 1 19 . 1 1 49 49 ARG HA H 49 3.898 3.898 4.030 -0.132 18411 15518 1 19 . 1 1 49 49 ARG C C 49 177.871 177.871 176.913 0.958 18411 15519 1 19 . 1 1 49 49 ARG CA C 49 59.837 59.837 57.992 1.845 18411 15520 1 19 . 1 1 49 49 ARG CB C 49 30.585 30.585 29.526 1.059 18411 15521 1 19 . 1 1 49 49 ARG H H 49 7.658 7.658 7.607 0.051 18411 15522 1 19 . 1 1 50 50 LYS N N 50 117.909 117.909 118.475 -0.566 18411 15523 1 19 . 1 1 50 50 LYS HA H 50 4.098 4.098 4.129 -0.031 18411 15524 1 19 . 1 1 50 50 LYS C C 50 177.723 177.723 177.840 -0.117 18411 15525 1 19 . 1 1 50 50 LYS CA C 50 58.198 58.198 58.311 -0.113 18411 15526 1 19 . 1 1 50 50 LYS CB C 50 32.803 32.803 33.214 -0.411 18411 15527 1 19 . 1 1 50 50 LYS H H 50 7.385 7.385 7.651 -0.266 18411 15528 1 19 . 1 1 51 51 GLU N N 51 117.196 117.196 119.775 -2.579 18411 15529 1 19 . 1 1 51 51 GLU HA H 51 3.453 3.453 3.824 -0.371 18411 15530 1 19 . 1 1 51 51 GLU C C 51 179.194 179.194 178.966 0.228 18411 15531 1 19 . 1 1 51 51 GLU CA C 51 57.754 57.754 59.182 -1.428 18411 15532 1 19 . 1 1 51 51 GLU CB C 51 29.825 29.825 29.271 0.554 18411 15533 1 19 . 1 1 51 51 GLU H H 51 7.764 7.764 7.546 0.218 18411 15534 1 19 . 1 1 52 52 MET N N 52 118.785 118.785 119.851 -1.066 18411 15535 1 19 . 1 1 52 52 MET HA H 52 3.979 3.979 4.659 -0.680 18411 15536 1 19 . 1 1 52 52 MET C C 52 174.346 174.346 175.880 -1.534 18411 15537 1 19 . 1 1 52 52 MET CA C 52 62.384 62.384 61.194 1.190 18411 15538 1 19 . 1 1 52 52 MET CB C 52 32.805 32.805 30.796 2.009 18411 15539 1 19 . 1 1 52 52 MET H H 52 8.100 8.100 8.456 -0.356 18411 15540 1 19 . 1 1 53 53 PRO HA H 53 4.299 4.299 4.345 -0.046 18411 15541 1 19 . 1 1 53 53 PRO C C 53 179.242 179.242 179.456 -0.214 18411 15542 1 19 . 1 1 53 53 PRO CA C 53 65.708 65.708 66.211 -0.503 18411 15543 1 19 . 1 1 53 53 PRO CB C 53 31.570 31.570 31.405 0.165 18411 15544 1 19 . 1 1 54 54 PHE N N 54 116.067 116.067 116.970 -0.903 18411 15545 1 19 . 1 1 54 54 PHE HA H 54 4.372 4.372 4.153 0.219 18411 15546 1 19 . 1 1 54 54 PHE C C 54 178.283 178.283 177.905 0.378 18411 15547 1 19 . 1 1 54 54 PHE CA C 54 61.249 61.249 62.719 -1.470 18411 15548 1 19 . 1 1 54 54 PHE CB C 54 38.366 38.366 38.322 0.044 18411 15549 1 19 . 1 1 54 54 PHE H H 54 7.251 7.251 7.729 -0.478 18411 15550 1 19 . 1 1 55 55 ILE N N 55 122.051 122.051 120.204 1.847 18411 15551 1 19 . 1 1 55 55 ILE HA H 55 3.746 3.746 4.031 -0.285 18411 15552 1 19 . 1 1 55 55 ILE C C 55 179.005 179.005 178.109 0.896 18411 15553 1 19 . 1 1 55 55 ILE CA C 55 66.678 66.678 66.261 0.417 18411 15554 1 19 . 1 1 55 55 ILE CB C 55 37.449 37.449 37.962 -0.513 18411 15555 1 19 . 1 1 55 55 ILE H H 55 7.935 7.935 9.029 -1.094 18411 15556 1 19 . 1 1 56 56 GLU N N 56 120.941 120.941 119.267 1.674 18411 15557 1 19 . 1 1 56 56 GLU HA H 56 4.578 4.578 4.432 0.146 18411 15558 1 19 . 1 1 56 56 GLU C C 56 177.034 177.034 178.958 -1.924 18411 15559 1 19 . 1 1 56 56 GLU CA C 56 59.607 59.607 59.609 -0.002 18411 15560 1 19 . 1 1 56 56 GLU CB C 56 29.640 29.640 28.817 0.823 18411 15561 1 19 . 1 1 56 56 GLU H H 56 8.657 8.657 8.800 -0.143 18411 15562 1 19 . 1 1 57 57 LYS N N 57 114.712 114.712 119.207 -4.495 18411 15563 1 19 . 1 1 57 57 LYS HA H 57 4.165 4.165 4.094 0.071 18411 15564 1 19 . 1 1 57 57 LYS C C 57 177.831 177.831 178.022 -0.191 18411 15565 1 19 . 1 1 57 57 LYS CA C 57 59.905 59.905 59.796 0.109 18411 15566 1 19 . 1 1 57 57 LYS CB C 57 33.873 33.873 32.459 1.414 18411 15567 1 19 . 1 1 57 57 LYS H H 57 7.719 7.719 7.871 -0.152 18411 15568 1 19 . 1 1 58 58 ASP N N 58 114.953 114.953 117.847 -2.894 18411 15569 1 19 . 1 1 58 58 ASP HA H 58 4.843 4.843 4.770 0.073 18411 15570 1 19 . 1 1 58 58 ASP C C 58 176.515 176.515 178.136 -1.621 18411 15571 1 19 . 1 1 58 58 ASP CA C 58 56.125 56.125 55.641 0.484 18411 15572 1 19 . 1 1 58 58 ASP CB C 58 42.087 42.087 42.434 -0.347 18411 15573 1 19 . 1 1 58 58 ASP H H 58 8.783 8.783 8.121 0.662 18411 15574 1 19 . 1 1 59 59 ILE N N 59 115.807 115.807 121.242 -5.435 18411 15575 1 19 . 1 1 59 59 ILE HA H 59 4.268 4.268 3.783 0.485 18411 15576 1 19 . 1 1 59 59 ILE C C 59 176.369 176.369 177.781 -1.412 18411 15577 1 19 . 1 1 59 59 ILE CA C 59 63.757 63.757 65.081 -1.324 18411 15578 1 19 . 1 1 59 59 ILE CB C 59 40.396 40.396 38.330 2.066 18411 15579 1 19 . 1 1 59 59 ILE H H 59 7.455 7.455 7.983 -0.528 18411 15580 1 19 . 1 1 60 60 TRP N N 60 120.937 120.937 120.916 0.021 18411 15581 1 19 . 1 1 60 60 TRP HA H 60 4.727 4.727 4.487 0.240 18411 15582 1 19 . 1 1 60 60 TRP C C 60 177.428 177.428 177.925 -0.497 18411 15583 1 19 . 1 1 60 60 TRP CA C 60 60.644 60.644 60.157 0.486 18411 15584 1 19 . 1 1 60 60 TRP CB C 60 30.907 30.907 30.825 0.082 18411 15585 1 19 . 1 1 60 60 TRP H H 60 9.012 9.012 8.482 0.530 18411 15586 1 19 . 1 1 61 61 LEU N N 61 113.624 113.624 120.073 -6.449 18411 15587 1 19 . 1 1 61 61 LEU HA H 61 3.572 3.572 3.787 -0.215 18411 15588 1 19 . 1 1 61 61 LEU C C 61 179.473 179.473 178.432 1.041 18411 15589 1 19 . 1 1 61 61 LEU CA C 61 57.569 57.569 57.804 -0.235 18411 15590 1 19 . 1 1 61 61 LEU CB C 61 41.040 41.040 41.408 -0.368 18411 15591 1 19 . 1 1 61 61 LEU H H 61 9.210 9.210 8.116 1.094 18411 15592 1 19 . 1 1 62 62 LYS N N 62 112.991 112.991 114.812 -1.821 18411 15593 1 19 . 1 1 62 62 LYS HA H 62 3.889 3.889 3.951 -0.062 18411 15594 1 19 . 1 1 62 62 LYS C C 62 178.111 178.111 177.428 0.683 18411 15595 1 19 . 1 1 62 62 LYS CA C 62 56.667 56.667 57.508 -0.841 18411 15596 1 19 . 1 1 62 62 LYS CB C 62 31.651 31.651 32.014 -0.363 18411 15597 1 19 . 1 1 62 62 LYS H H 62 6.216 6.216 7.579 -1.363 18411 15598 1 19 . 1 1 63 63 HIS N N 63 114.656 114.656 114.947 -0.291 18411 15599 1 19 . 1 1 63 63 HIS HA H 63 4.943 4.943 4.553 0.390 18411 15600 1 19 . 1 1 63 63 HIS C C 63 177.057 177.057 175.260 1.797 18411 15601 1 19 . 1 1 63 63 HIS CA C 63 56.133 56.133 56.143 -0.010 18411 15602 1 19 . 1 1 63 63 HIS CB C 63 33.235 33.235 32.196 1.039 18411 15603 1 19 . 1 1 63 63 HIS H H 63 7.067 7.067 7.424 -0.357 18411 15604 1 19 . 1 1 64 64 LYS N N 64 119.155 119.155 117.586 1.569 18411 15605 1 19 . 1 1 64 64 LYS HA H 64 3.513 3.513 2.216 1.297 18411 15606 1 19 . 1 1 64 64 LYS C C 64 177.074 177.074 176.611 0.463 18411 15607 1 19 . 1 1 64 64 LYS CA C 64 59.166 59.166 58.554 0.612 18411 15608 1 19 . 1 1 64 64 LYS CB C 64 28.740 28.740 30.405 -1.665 18411 15609 1 19 . 1 1 64 64 LYS H H 64 8.114 8.114 8.364 -0.250 18411 15610 1 19 . 1 1 65 65 ASP N N 65 117.882 117.882 119.707 -1.825 18411 15611 1 19 . 1 1 65 65 ASP HA H 65 4.714 4.714 4.910 -0.196 18411 15612 1 19 . 1 1 65 65 ASP C C 65 175.195 175.195 178.003 -2.808 18411 15613 1 19 . 1 1 65 65 ASP CA C 65 54.204 54.204 54.183 0.021 18411 15614 1 19 . 1 1 65 65 ASP CB C 65 40.564 40.564 43.496 -2.932 18411 15615 1 19 . 1 1 65 65 ASP H H 65 7.963 7.963 8.152 -0.189 18411 15616 1 19 . 1 1 66 66 ASN N N 66 122.091 122.091 118.404 3.687 18411 15617 1 19 . 1 1 66 66 ASN HA H 66 4.659 4.659 4.244 0.415 18411 15618 1 19 . 1 1 66 66 ASN C C 66 176.046 176.046 174.493 1.553 18411 15619 1 19 . 1 1 66 66 ASN CA C 66 52.799 52.799 56.335 -3.536 18411 15620 1 19 . 1 1 66 66 ASN CB C 66 39.054 39.054 37.410 1.644 18411 15621 1 19 . 1 1 66 66 ASN H H 66 8.184 8.184 8.434 -0.250 18411 15622 1 19 . 1 1 67 67 ALA N N 67 128.893 128.893 119.109 9.784 18411 15623 1 19 . 1 1 67 67 ALA HA H 67 4.295 4.295 4.333 -0.038 18411 15624 1 19 . 1 1 67 67 ALA C C 67 177.886 177.886 175.898 1.988 18411 15625 1 19 . 1 1 67 67 ALA CA C 67 54.049 54.049 52.606 1.443 18411 15626 1 19 . 1 1 67 67 ALA CB C 67 18.549 18.549 19.717 -1.168 18411 15627 1 19 . 1 1 67 67 ALA H H 67 8.806 8.806 8.499 0.307 18411 15628 1 19 . 1 1 68 68 ASP N N 68 116.612 116.612 118.985 -2.373 18411 15629 1 19 . 1 1 68 68 ASP HA H 68 4.823 4.823 5.001 -0.178 18411 15630 1 19 . 1 1 68 68 ASP C C 68 173.310 173.310 174.677 -1.367 18411 15631 1 19 . 1 1 68 68 ASP CA C 68 54.202 54.202 53.599 0.603 18411 15632 1 19 . 1 1 68 68 ASP CB C 68 40.892 40.892 43.419 -2.527 18411 15633 1 19 . 1 1 68 68 ASP H H 68 8.759 8.759 8.162 0.597 18411 15634 1 19 . 1 1 69 69 PHE N N 69 119.640 119.640 121.557 -1.917 18411 15635 1 19 . 1 1 69 69 PHE HA H 69 5.741 5.741 5.032 0.709 18411 15636 1 19 . 1 1 69 69 PHE C C 69 173.860 173.860 172.915 0.945 18411 15637 1 19 . 1 1 69 69 PHE CA C 69 56.192 56.192 56.156 0.036 18411 15638 1 19 . 1 1 69 69 PHE CB C 69 43.496 43.496 42.880 0.616 18411 15639 1 19 . 1 1 69 69 PHE H H 69 7.912 7.912 8.098 -0.186 18411 15640 1 19 . 1 1 70 70 ALA N N 70 130.226 130.226 128.471 1.755 18411 15641 1 19 . 1 1 70 70 ALA HA H 70 4.321 4.321 4.710 -0.389 18411 15642 1 19 . 1 1 70 70 ALA C C 70 171.945 171.945 174.221 -2.276 18411 15643 1 19 . 1 1 70 70 ALA CA C 70 51.573 51.573 50.885 0.688 18411 15644 1 19 . 1 1 70 70 ALA CB C 70 23.273 23.273 22.516 0.757 18411 15645 1 19 . 1 1 70 70 ALA H H 70 8.298 8.298 8.507 -0.209 18411 15646 1 19 . 1 1 71 71 LEU N N 71 122.090 122.090 125.279 -3.189 18411 15647 1 19 . 1 1 71 71 LEU HA H 71 5.120 5.120 5.037 0.083 18411 15648 1 19 . 1 1 71 71 LEU C C 71 174.836 174.836 175.184 -0.348 18411 15649 1 19 . 1 1 71 71 LEU CA C 71 53.348 53.348 53.913 -0.565 18411 15650 1 19 . 1 1 71 71 LEU CB C 71 46.617 46.617 44.719 1.898 18411 15651 1 19 . 1 1 71 71 LEU H H 71 7.217 7.217 8.597 -1.380 18411 15652 1 19 . 1 1 72 72 ILE N N 72 123.189 123.189 125.143 -1.954 18411 15653 1 19 . 1 1 72 72 ILE HA H 72 4.336 4.336 4.655 -0.319 18411 15654 1 19 . 1 1 72 72 ILE C C 72 175.377 175.377 174.943 0.434 18411 15655 1 19 . 1 1 72 72 ILE CA C 72 60.236 60.236 59.810 0.426 18411 15656 1 19 . 1 1 72 72 ILE CB C 72 42.355 42.355 41.453 0.902 18411 15657 1 19 . 1 1 72 72 ILE H H 72 8.211 8.211 9.121 -0.910 18411 15658 1 19 . 1 1 73 73 GLY N N 73 114.189 114.189 114.816 -0.627 18411 15659 1 19 . 1 1 73 73 GLY C C 73 172.626 172.626 172.726 -0.100 18411 15660 1 19 . 1 1 73 73 GLY CA C 73 44.213 44.213 43.698 0.515 18411 15661 1 19 . 1 1 73 73 GLY H H 73 9.202 9.202 8.681 0.521 18411 15662 1 19 . 1 1 74 74 ILE N N 74 126.577 126.577 125.186 1.391 18411 15663 1 19 . 1 1 74 74 ILE HA H 74 3.873 3.873 4.543 -0.670 18411 15664 1 19 . 1 1 74 74 ILE C C 74 174.792 174.792 174.461 0.331 18411 15665 1 19 . 1 1 74 74 ILE CA C 74 61.660 61.660 60.299 1.361 18411 15666 1 19 . 1 1 74 74 ILE CB C 74 37.394 37.394 39.251 -1.857 18411 15667 1 19 . 1 1 74 74 ILE H H 74 9.279 9.279 9.191 0.088 18411 15668 1 19 . 1 1 75 75 ASP N N 75 129.040 129.040 128.459 0.581 18411 15669 1 19 . 1 1 75 75 ASP HA H 75 5.213 5.213 5.129 0.084 18411 15670 1 19 . 1 1 75 75 ASP C C 75 175.696 175.696 176.148 -0.452 18411 15671 1 19 . 1 1 75 75 ASP CA C 75 52.425 52.425 53.276 -0.851 18411 15672 1 19 . 1 1 75 75 ASP CB C 75 41.673 41.673 42.829 -1.156 18411 15673 1 19 . 1 1 75 75 ASP H H 75 8.592 8.592 8.353 0.239 18411 15674 1 19 . 1 1 76 76 ARG N N 76 128.762 128.762 124.999 3.763 18411 15675 1 19 . 1 1 76 76 ARG HA H 76 4.346 4.346 4.136 0.210 18411 15676 1 19 . 1 1 76 76 ARG C C 76 174.562 174.562 177.456 -2.894 18411 15677 1 19 . 1 1 76 76 ARG CA C 76 58.885 58.885 59.005 -0.120 18411 15678 1 19 . 1 1 76 76 ARG CB C 76 32.732 32.732 30.551 2.181 18411 15679 1 19 . 1 1 76 76 ARG H H 76 8.842 8.842 8.037 0.805 18411 15680 1 19 . 1 1 77 77 ASP N N 77 128.451 128.451 117.488 10.963 18411 15681 1 19 . 1 1 77 77 ASP HA H 77 4.473 4.473 4.801 -0.328 18411 15682 1 19 . 1 1 77 77 ASP C C 77 173.969 173.969 175.642 -1.673 18411 15683 1 19 . 1 1 77 77 ASP CA C 77 56.139 56.139 54.617 1.522 18411 15684 1 19 . 1 1 77 77 ASP CB C 77 42.541 42.541 40.139 2.402 18411 15685 1 19 . 1 1 77 77 ASP H H 77 8.256 8.256 8.492 -0.236 18411 15686 1 19 . 1 1 78 78 GLU N N 78 114.796 114.796 120.188 -5.392 18411 15687 1 19 . 1 1 78 78 GLU HA H 78 5.060 5.060 4.823 0.237 18411 15688 1 19 . 1 1 78 78 GLU C C 78 174.225 174.225 174.706 -0.481 18411 15689 1 19 . 1 1 78 78 GLU CA C 78 54.220 54.220 53.158 1.062 18411 15690 1 19 . 1 1 78 78 GLU CB C 78 32.842 32.842 29.986 2.856 18411 15691 1 19 . 1 1 78 78 GLU H H 78 8.010 8.010 7.853 0.157 18411 15692 1 19 . 1 1 79 79 PRO HA H 79 4.579 4.579 4.644 -0.065 18411 15693 1 19 . 1 1 79 79 PRO C C 79 177.508 177.508 177.733 -0.225 18411 15694 1 19 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.168 -0.101 18411 15695 1 19 . 1 1 79 79 PRO CB C 79 33.096 33.096 32.913 0.184 18411 15696 1 19 . 1 1 80 80 LEU N N 80 122.209 122.209 121.821 0.388 18411 15697 1 19 . 1 1 80 80 LEU HA H 80 3.927 3.927 3.880 0.047 18411 15698 1 19 . 1 1 80 80 LEU C C 80 177.847 177.847 178.818 -0.971 18411 15699 1 19 . 1 1 80 80 LEU CA C 80 59.188 59.188 59.237 -0.049 18411 15700 1 19 . 1 1 80 80 LEU CB C 80 42.001 42.001 41.258 0.743 18411 15701 1 19 . 1 1 80 80 LEU H H 80 8.943 8.943 8.454 0.489 18411 15702 1 19 . 1 1 81 81 GLU N N 81 115.361 115.361 117.776 -2.415 18411 15703 1 19 . 1 1 81 81 GLU HA H 81 3.999 3.999 3.955 0.044 18411 15704 1 19 . 1 1 81 81 GLU C C 81 180.044 180.044 179.182 0.862 18411 15705 1 19 . 1 1 81 81 GLU CA C 81 60.552 60.552 59.245 1.307 18411 15706 1 19 . 1 1 81 81 GLU CB C 81 28.723 28.723 28.767 -0.044 18411 15707 1 19 . 1 1 81 81 GLU H H 81 9.534 9.534 8.960 0.574 18411 15708 1 19 . 1 1 82 82 LYS N N 82 118.582 118.582 119.639 -1.057 18411 15709 1 19 . 1 1 82 82 LYS HA H 82 4.183 4.183 4.153 0.030 18411 15710 1 19 . 1 1 82 82 LYS C C 82 179.226 179.226 179.113 0.113 18411 15711 1 19 . 1 1 82 82 LYS CA C 82 58.248 58.248 58.270 -0.022 18411 15712 1 19 . 1 1 82 82 LYS CB C 82 32.912 32.912 32.181 0.731 18411 15713 1 19 . 1 1 82 82 LYS H H 82 7.332 7.332 7.541 -0.209 18411 15714 1 19 . 1 1 83 83 VAL N N 83 122.971 122.971 121.104 1.867 18411 15715 1 19 . 1 1 83 83 VAL HA H 83 3.554 3.554 3.677 -0.123 18411 15716 1 19 . 1 1 83 83 VAL C C 83 178.331 178.331 178.621 -0.290 18411 15717 1 19 . 1 1 83 83 VAL CA C 83 67.063 67.063 66.259 0.804 18411 15718 1 19 . 1 1 83 83 VAL CB C 83 31.497 31.497 31.649 -0.152 18411 15719 1 19 . 1 1 83 83 VAL H H 83 7.743 7.743 7.788 -0.045 18411 15720 1 19 . 1 1 84 84 LEU N N 84 119.209 119.209 119.851 -0.642 18411 15721 1 19 . 1 1 84 84 LEU HA H 84 4.030 4.030 3.980 0.050 18411 15722 1 19 . 1 1 84 84 LEU C C 84 180.647 180.647 179.105 1.542 18411 15723 1 19 . 1 1 84 84 LEU CA C 84 57.975 57.975 57.746 0.229 18411 15724 1 19 . 1 1 84 84 LEU CB C 84 42.010 42.010 40.223 1.787 18411 15725 1 19 . 1 1 84 84 LEU H H 84 8.706 8.706 8.718 -0.012 18411 15726 1 19 . 1 1 85 85 ALA N N 85 120.801 120.801 122.153 -1.352 18411 15727 1 19 . 1 1 85 85 ALA HA H 85 4.198 4.198 4.038 0.160 18411 15728 1 19 . 1 1 85 85 ALA C C 85 180.253 180.253 179.520 0.733 18411 15729 1 19 . 1 1 85 85 ALA CA C 85 54.947 54.947 55.047 -0.101 18411 15730 1 19 . 1 1 85 85 ALA CB C 85 17.973 17.973 18.332 -0.360 18411 15731 1 19 . 1 1 85 85 ALA H H 85 7.440 7.440 7.711 -0.271 18411 15732 1 19 . 1 1 86 86 PHE N N 86 123.035 123.035 119.723 3.312 18411 15733 1 19 . 1 1 86 86 PHE HA H 86 4.905 4.905 4.097 0.808 18411 15734 1 19 . 1 1 86 86 PHE C C 86 179.015 179.015 176.902 2.113 18411 15735 1 19 . 1 1 86 86 PHE CA C 86 56.648 56.648 61.045 -4.397 18411 15736 1 19 . 1 1 86 86 PHE CB C 86 39.249 39.249 39.234 0.015 18411 15737 1 19 . 1 1 86 86 PHE H H 86 8.040 8.040 8.429 -0.389 18411 15738 1 19 . 1 1 87 87 ALA N N 87 123.932 123.932 123.089 0.843 18411 15739 1 19 . 1 1 87 87 ALA HA H 87 3.480 3.480 3.853 -0.373 18411 15740 1 19 . 1 1 87 87 ALA C C 87 179.800 179.800 178.724 1.076 18411 15741 1 19 . 1 1 87 87 ALA CA C 87 55.183 55.183 55.083 0.100 18411 15742 1 19 . 1 1 87 87 ALA CB C 87 17.602 17.602 18.569 -0.967 18411 15743 1 19 . 1 1 87 87 ALA H H 87 8.453 8.453 8.384 0.069 18411 15744 1 19 . 1 1 88 88 LYS N N 88 116.535 116.535 115.976 0.559 18411 15745 1 19 . 1 1 88 88 LYS HA H 88 4.030 4.030 3.965 0.065 18411 15746 1 19 . 1 1 88 88 LYS C C 88 179.562 179.562 178.598 0.964 18411 15747 1 19 . 1 1 88 88 LYS CA C 88 59.063 59.063 58.706 0.357 18411 15748 1 19 . 1 1 88 88 LYS CB C 88 32.466 32.466 32.178 0.288 18411 15749 1 19 . 1 1 88 88 LYS H H 88 7.664 7.664 7.881 -0.217 18411 15750 1 19 . 1 1 89 89 SER N N 89 113.619 113.619 114.598 -0.979 18411 15751 1 19 . 1 1 89 89 SER HA H 89 4.271 4.271 4.441 -0.170 18411 15752 1 19 . 1 1 89 89 SER C C 89 177.004 177.004 174.492 2.512 18411 15753 1 19 . 1 1 89 89 SER CA C 89 61.139 61.139 60.128 1.011 18411 15754 1 19 . 1 1 89 89 SER CB C 89 63.327 63.327 63.099 0.228 18411 15755 1 19 . 1 1 89 89 SER H H 89 8.417 8.417 7.856 0.561 18411 15756 1 19 . 1 1 90 90 THR N N 90 109.601 109.601 110.148 -0.547 18411 15757 1 19 . 1 1 90 90 THR HA H 90 4.287 4.287 4.414 -0.127 18411 15758 1 19 . 1 1 90 90 THR C C 90 176.074 176.074 174.853 1.221 18411 15759 1 19 . 1 1 90 90 THR CA C 90 62.926 62.926 61.189 1.737 18411 15760 1 19 . 1 1 90 90 THR CB C 90 70.563 70.563 69.533 1.030 18411 15761 1 19 . 1 1 90 90 THR H H 90 7.710 7.710 7.346 0.364 18411 15762 1 19 . 1 1 91 91 GLY N N 91 110.243 110.243 109.841 0.402 18411 15763 1 19 . 1 1 91 91 GLY C C 91 174.815 174.815 173.928 0.887 18411 15764 1 19 . 1 1 91 91 GLY CA C 91 46.042 46.042 45.410 0.632 18411 15765 1 19 . 1 1 91 91 GLY H H 91 7.609 7.609 7.468 0.141 18411 15766 1 19 . 1 1 92 92 VAL N N 92 112.099 112.099 121.271 -9.172 18411 15767 1 19 . 1 1 92 92 VAL HA H 92 4.309 4.309 3.624 0.685 18411 15768 1 19 . 1 1 92 92 VAL C C 92 178.372 178.372 175.543 2.829 18411 15769 1 19 . 1 1 92 92 VAL CA C 92 60.696 60.696 63.455 -2.759 18411 15770 1 19 . 1 1 92 92 VAL CB C 92 32.337 32.337 31.418 0.919 18411 15771 1 19 . 1 1 92 92 VAL H H 92 7.046 7.046 7.377 -0.331 18411 15772 1 19 . 1 1 93 93 THR N N 93 114.289 114.289 118.736 -4.447 18411 15773 1 19 . 1 1 93 93 THR HA H 93 4.457 4.457 4.232 0.225 18411 15774 1 19 . 1 1 93 93 THR C C 93 175.115 175.115 173.586 1.529 18411 15775 1 19 . 1 1 93 93 THR CA C 93 61.280 61.280 61.758 -0.478 18411 15776 1 19 . 1 1 93 93 THR CB C 93 70.314 70.314 69.257 1.057 18411 15777 1 19 . 1 1 93 93 THR H H 93 10.844 10.844 8.070 2.774 18411 15778 1 19 . 1 1 94 94 TYR N N 94 122.050 122.050 120.262 1.788 18411 15779 1 19 . 1 1 94 94 TYR HA H 94 3.740 3.740 4.043 -0.303 18411 15780 1 19 . 1 1 94 94 TYR C C 94 171.563 171.563 173.238 -1.675 18411 15781 1 19 . 1 1 94 94 TYR CA C 94 53.080 53.080 53.122 -0.042 18411 15782 1 19 . 1 1 94 94 TYR CB C 94 34.195 34.195 36.296 -2.101 18411 15783 1 19 . 1 1 94 94 TYR H H 94 6.391 6.391 6.762 -0.371 18411 15784 1 19 . 1 1 95 95 PRO HA H 95 4.105 4.105 4.314 -0.209 18411 15785 1 19 . 1 1 95 95 PRO C C 95 175.152 175.152 175.566 -0.414 18411 15786 1 19 . 1 1 95 95 PRO CA C 95 63.799 63.799 62.747 1.052 18411 15787 1 19 . 1 1 95 95 PRO CB C 95 32.919 32.919 32.392 0.527 18411 15788 1 19 . 1 1 96 96 LEU N N 96 122.325 122.325 122.298 0.027 18411 15789 1 19 . 1 1 96 96 LEU HA H 96 5.143 5.143 5.369 -0.226 18411 15790 1 19 . 1 1 96 96 LEU C C 96 176.072 176.072 176.808 -0.736 18411 15791 1 19 . 1 1 96 96 LEU CA C 96 52.794 52.794 53.342 -0.548 18411 15792 1 19 . 1 1 96 96 LEU CB C 96 45.567 45.567 45.037 0.530 18411 15793 1 19 . 1 1 96 96 LEU H H 96 8.256 8.256 7.738 0.518 18411 15794 1 19 . 1 1 97 97 GLY N N 97 107.295 107.295 108.302 -1.007 18411 15795 1 19 . 1 1 97 97 GLY C C 97 171.546 171.546 172.132 -0.586 18411 15796 1 19 . 1 1 97 97 GLY CA C 97 44.069 44.069 43.184 0.884 18411 15797 1 19 . 1 1 97 97 GLY H H 97 9.177 9.177 9.120 0.057 18411 15798 1 19 . 1 1 98 98 LEU N N 98 118.550 118.550 118.811 -0.261 18411 15799 1 19 . 1 1 98 98 LEU HA H 98 4.872 4.872 5.068 -0.196 18411 15800 1 19 . 1 1 98 98 LEU C C 98 176.132 176.132 175.846 0.286 18411 15801 1 19 . 1 1 98 98 LEU CA C 98 54.460 54.460 54.370 0.090 18411 15802 1 19 . 1 1 98 98 LEU CB C 98 43.567 43.567 44.323 -0.756 18411 15803 1 19 . 1 1 98 98 LEU H H 98 8.106 8.106 8.093 0.013 18411 15804 1 19 . 1 1 99 99 ASP N N 99 118.061 118.061 122.427 -4.366 18411 15805 1 19 . 1 1 99 99 ASP HA H 99 5.403 5.403 4.994 0.409 18411 15806 1 19 . 1 1 99 99 ASP C C 99 175.069 175.069 173.771 1.298 18411 15807 1 19 . 1 1 99 99 ASP CA C 99 51.057 51.057 50.834 0.223 18411 15808 1 19 . 1 1 99 99 ASP CB C 99 42.069 42.069 42.386 -0.317 18411 15809 1 19 . 1 1 99 99 ASP H H 99 8.481 8.481 8.727 -0.246 18411 15810 1 19 . 1 1 100 100 PRO HA H 100 4.564 4.564 4.319 0.245 18411 15811 1 19 . 1 1 100 100 PRO C C 100 179.600 179.600 177.091 2.509 18411 15812 1 19 . 1 1 100 100 PRO CA C 100 64.020 64.020 63.271 0.749 18411 15813 1 19 . 1 1 100 100 PRO CB C 100 31.455 31.455 31.017 0.438 18411 15814 1 19 . 1 1 101 101 GLY N N 101 114.780 114.780 112.586 2.194 18411 15815 1 19 . 1 1 101 101 GLY C C 101 173.600 173.600 174.465 -0.865 18411 15816 1 19 . 1 1 101 101 GLY CA C 101 46.175 46.175 45.029 1.146 18411 15817 1 19 . 1 1 101 101 GLY H H 101 9.045 9.045 9.390 -0.345 18411 15818 1 19 . 1 1 102 102 ALA N N 102 117.089 117.089 120.723 -3.634 18411 15819 1 19 . 1 1 102 102 ALA HA H 102 4.376 4.376 4.104 0.272 18411 15820 1 19 . 1 1 102 102 ALA C C 102 175.955 175.955 177.232 -1.277 18411 15821 1 19 . 1 1 102 102 ALA CA C 102 52.693 52.693 52.902 -0.209 18411 15822 1 19 . 1 1 102 102 ALA CB C 102 18.256 18.256 17.523 0.733 18411 15823 1 19 . 1 1 102 102 ALA H H 102 8.257 8.257 8.131 0.126 18411 15824 1 19 . 1 1 103 103 ASP N N 103 118.691 118.691 118.862 -0.171 18411 15825 1 19 . 1 1 103 103 ASP HA H 103 4.444 4.444 4.522 -0.078 18411 15826 1 19 . 1 1 103 103 ASP C C 103 179.021 179.021 177.845 1.176 18411 15827 1 19 . 1 1 103 103 ASP CA C 103 57.935 57.935 57.154 0.781 18411 15828 1 19 . 1 1 103 103 ASP CB C 103 41.368 41.368 41.587 -0.220 18411 15829 1 19 . 1 1 103 103 ASP H H 103 6.739 6.739 8.483 -1.744 18411 15830 1 19 . 1 1 104 104 ILE N N 104 126.075 126.075 118.947 7.128 18411 15831 1 19 . 1 1 104 104 ILE HA H 104 3.682 3.682 3.968 -0.286 18411 15832 1 19 . 1 1 104 104 ILE C C 104 179.321 179.321 177.349 1.972 18411 15833 1 19 . 1 1 104 104 ILE CA C 104 66.522 66.522 62.927 3.595 18411 15834 1 19 . 1 1 104 104 ILE CB C 104 36.754 36.754 37.336 -0.581 18411 15835 1 19 . 1 1 104 104 ILE H H 104 11.476 11.476 8.836 2.640 18411 15836 1 19 . 1 1 105 105 PHE N N 105 124.513 124.513 119.349 5.164 18411 15837 1 19 . 1 1 105 105 PHE HA H 105 3.646 3.646 4.158 -0.512 18411 15838 1 19 . 1 1 105 105 PHE C C 105 177.818 177.818 177.327 0.491 18411 15839 1 19 . 1 1 105 105 PHE CA C 105 62.948 62.948 60.950 1.998 18411 15840 1 19 . 1 1 105 105 PHE CB C 105 38.350 38.350 39.559 -1.209 18411 15841 1 19 . 1 1 105 105 PHE H H 105 9.473 9.473 8.866 0.607 18411 15842 1 19 . 1 1 106 106 ALA N N 106 115.835 115.835 120.500 -4.665 18411 15843 1 19 . 1 1 106 106 ALA HA H 106 4.927 4.927 4.563 0.364 18411 15844 1 19 . 1 1 106 106 ALA C C 106 179.271 179.271 178.254 1.017 18411 15845 1 19 . 1 1 106 106 ALA CA C 106 52.672 52.672 53.774 -1.102 18411 15846 1 19 . 1 1 106 106 ALA CB C 106 19.093 19.093 18.586 0.507 18411 15847 1 19 . 1 1 106 106 ALA H H 106 8.418 8.418 7.623 0.795 18411 15848 1 19 . 1 1 107 107 LYS N N 107 116.823 116.823 116.319 0.504 18411 15849 1 19 . 1 1 107 107 LYS HA H 107 4.145 4.145 4.081 0.064 18411 15850 1 19 . 1 1 107 107 LYS C C 107 176.006 176.006 176.587 -0.581 18411 15851 1 19 . 1 1 107 107 LYS CA C 107 57.980 57.980 57.591 0.389 18411 15852 1 19 . 1 1 107 107 LYS CB C 107 33.041 33.041 32.514 0.527 18411 15853 1 19 . 1 1 107 107 LYS H H 107 8.106 8.106 7.662 0.444 18411 15854 1 19 . 1 1 108 108 TYR N N 108 114.793 114.793 115.198 -0.405 18411 15855 1 19 . 1 1 108 108 TYR HA H 108 4.311 4.311 4.492 -0.181 18411 15856 1 19 . 1 1 108 108 TYR C C 108 176.010 176.010 173.718 2.292 18411 15857 1 19 . 1 1 108 108 TYR CA C 108 59.270 59.270 57.850 1.420 18411 15858 1 19 . 1 1 108 108 TYR CB C 108 40.965 40.965 40.737 0.228 18411 15859 1 19 . 1 1 108 108 TYR H H 108 7.811 7.811 7.406 0.405 18411 15860 1 19 . 1 1 109 109 ALA N N 109 125.709 125.709 119.015 6.694 18411 15861 1 19 . 1 1 109 109 ALA HA H 109 4.760 4.760 4.574 0.186 18411 15862 1 19 . 1 1 109 109 ALA C C 109 174.711 174.711 174.789 -0.078 18411 15863 1 19 . 1 1 109 109 ALA CA C 109 50.276 50.276 51.202 -0.926 18411 15864 1 19 . 1 1 109 109 ALA CB C 109 21.924 21.924 20.013 1.911 18411 15865 1 19 . 1 1 109 109 ALA H H 109 8.595 8.595 7.394 1.201 18411 15866 1 19 . 1 1 110 110 LEU N N 110 117.834 117.834 118.981 -1.147 18411 15867 1 19 . 1 1 110 110 LEU HA H 110 4.137 4.137 4.338 -0.201 18411 15868 1 19 . 1 1 110 110 LEU C C 110 179.153 179.153 177.459 1.694 18411 15869 1 19 . 1 1 110 110 LEU CA C 110 55.164 55.164 55.032 0.132 18411 15870 1 19 . 1 1 110 110 LEU CB C 110 42.292 42.292 42.734 -0.442 18411 15871 1 19 . 1 1 110 110 LEU H H 110 7.814 7.814 8.073 -0.259 18411 15872 1 19 . 1 1 111 111 ARG N N 111 119.787 119.787 119.273 0.514 18411 15873 1 19 . 1 1 111 111 ARG HA H 111 3.916 3.916 4.313 -0.397 18411 15874 1 19 . 1 1 111 111 ARG C C 111 176.962 176.962 177.472 -0.510 18411 15875 1 19 . 1 1 111 111 ARG CA C 111 60.538 60.538 58.058 2.480 18411 15876 1 19 . 1 1 111 111 ARG CB C 111 30.424 30.424 30.459 -0.035 18411 15877 1 19 . 1 1 111 111 ARG H H 111 8.655 8.655 8.626 0.029 18411 15878 1 19 . 1 1 112 112 ASP N N 112 113.338 113.338 119.496 -6.158 18411 15879 1 19 . 1 1 112 112 ASP HA H 112 4.662 4.662 4.557 0.105 18411 15880 1 19 . 1 1 112 112 ASP C C 112 176.387 176.387 177.375 -0.988 18411 15881 1 19 . 1 1 112 112 ASP CA C 112 52.833 52.833 55.858 -3.025 18411 15882 1 19 . 1 1 112 112 ASP CB C 112 40.135 40.135 40.734 -0.599 18411 15883 1 19 . 1 1 112 112 ASP H H 112 8.205 8.205 7.949 0.256 18411 15884 1 19 . 1 1 113 113 ALA N N 113 122.885 122.885 121.540 1.345 18411 15885 1 19 . 1 1 113 113 ALA HA H 113 4.347 4.347 4.240 0.107 18411 15886 1 19 . 1 1 113 113 ALA C C 113 177.740 177.740 177.775 -0.035 18411 15887 1 19 . 1 1 113 113 ALA CA C 113 51.983 51.983 54.147 -2.164 18411 15888 1 19 . 1 1 113 113 ALA CB C 113 20.558 20.558 18.155 2.403 18411 15889 1 19 . 1 1 113 113 ALA H H 113 7.919 7.919 8.488 -0.569 18411 15890 1 19 . 1 1 114 114 GLY CA C 114 45.480 45.480 45.445 0.035 18411 15891 1 19 . 1 1 115 115 ILE N N 115 122.165 122.165 119.225 2.940 18411 15892 1 19 . 1 1 115 115 ILE HA H 115 4.119 4.119 4.015 0.104 18411 15893 1 19 . 1 1 115 115 ILE CA C 115 60.788 60.788 62.201 -1.413 18411 15894 1 19 . 1 1 115 115 ILE CB C 115 39.651 39.651 39.156 0.495 18411 15895 1 19 . 1 1 115 115 ILE H H 115 8.253 8.253 8.393 -0.140 18411 15896 1 19 . 1 1 116 116 THR N N 116 110.198 110.198 114.865 -4.667 18411 15897 1 19 . 1 1 116 116 THR HA H 116 4.101 4.101 4.579 -0.478 18411 15898 1 19 . 1 1 116 116 THR CA C 116 62.947 62.947 62.209 0.738 18411 15899 1 19 . 1 1 116 116 THR CB C 116 69.031 69.031 67.957 1.074 18411 15900 1 19 . 1 1 116 116 THR H H 116 7.033 7.033 7.713 -0.680 18411 15901 1 19 . 1 1 117 117 ARG N N 117 130.624 130.624 123.502 7.122 18411 15902 1 19 . 1 1 117 117 ARG HA H 117 4.997 4.997 4.996 0.001 18411 15903 1 19 . 1 1 117 117 ARG C C 117 173.296 173.296 174.011 -0.715 18411 15904 1 19 . 1 1 117 117 ARG CA C 117 56.468 56.468 55.232 1.236 18411 15905 1 19 . 1 1 117 117 ARG CB C 117 31.949 31.949 33.294 -1.345 18411 15906 1 19 . 1 1 117 117 ARG H H 117 8.250 8.250 7.825 0.425 18411 15907 1 19 . 1 1 118 118 ASN N N 118 118.226 118.226 122.374 -4.148 18411 15908 1 19 . 1 1 118 118 ASN HA H 118 6.127 6.127 5.452 0.675 18411 15909 1 19 . 1 1 118 118 ASN C C 118 173.805 173.805 174.033 -0.228 18411 15910 1 19 . 1 1 118 118 ASN CA C 118 51.759 51.759 52.908 -1.149 18411 15911 1 19 . 1 1 118 118 ASN CB C 118 41.892 41.892 40.861 1.031 18411 15912 1 19 . 1 1 118 118 ASN H H 118 7.730 7.730 8.612 -0.882 18411 15913 1 19 . 1 1 119 119 VAL N N 119 120.477 120.477 123.335 -2.858 18411 15914 1 19 . 1 1 119 119 VAL HA H 119 4.766 4.766 5.353 -0.587 18411 15915 1 19 . 1 1 119 119 VAL C C 119 173.809 173.809 174.440 -0.631 18411 15916 1 19 . 1 1 119 119 VAL CA C 119 60.808 60.808 60.450 0.358 18411 15917 1 19 . 1 1 119 119 VAL CB C 119 35.887 35.887 34.417 1.470 18411 15918 1 19 . 1 1 119 119 VAL H H 119 9.269 9.269 9.246 0.023 18411 15919 1 19 . 1 1 120 120 LEU N N 120 128.017 128.017 129.212 -1.195 18411 15920 1 19 . 1 1 120 120 LEU HA H 120 5.350 5.350 5.074 0.276 18411 15921 1 19 . 1 1 120 120 LEU C C 120 174.606 174.606 174.670 -0.064 18411 15922 1 19 . 1 1 120 120 LEU CA C 120 53.563 53.563 53.707 -0.144 18411 15923 1 19 . 1 1 120 120 LEU CB C 120 46.211 46.211 45.734 0.477 18411 15924 1 19 . 1 1 120 120 LEU H H 120 8.829 8.829 8.642 0.187 18411 15925 1 19 . 1 1 121 121 ILE N N 121 131.629 131.629 127.004 4.625 18411 15926 1 19 . 1 1 121 121 ILE HA H 121 4.799 4.799 4.861 -0.062 18411 15927 1 19 . 1 1 121 121 ILE C C 121 174.731 174.731 175.423 -0.692 18411 15928 1 19 . 1 1 121 121 ILE CA C 121 60.450 60.450 60.177 0.273 18411 15929 1 19 . 1 1 121 121 ILE CB C 121 41.651 41.651 39.777 1.874 18411 15930 1 19 . 1 1 121 121 ILE H H 121 9.659 9.659 9.270 0.389 18411 15931 1 19 . 1 1 122 122 ASP N N 122 124.197 124.197 127.586 -3.389 18411 15932 1 19 . 1 1 122 122 ASP HA H 122 4.513 4.513 4.732 -0.219 18411 15933 1 19 . 1 1 122 122 ASP C C 122 177.586 177.586 176.756 0.830 18411 15934 1 19 . 1 1 122 122 ASP CA C 122 52.442 52.442 53.210 -0.768 18411 15935 1 19 . 1 1 122 122 ASP CB C 122 41.476 41.476 43.345 -1.869 18411 15936 1 19 . 1 1 122 122 ASP H H 122 9.128 9.128 8.792 0.336 18411 15937 1 19 . 1 1 123 123 ARG N N 123 113.396 113.396 115.873 -2.477 18411 15938 1 19 . 1 1 123 123 ARG HA H 123 4.186 4.186 4.353 -0.167 18411 15939 1 19 . 1 1 123 123 ARG C C 123 178.717 178.717 177.836 0.881 18411 15940 1 19 . 1 1 123 123 ARG CA C 123 58.243 58.243 58.303 -0.060 18411 15941 1 19 . 1 1 123 123 ARG CB C 123 30.783 30.783 29.868 0.915 18411 15942 1 19 . 1 1 123 123 ARG H H 123 7.870 7.870 8.612 -0.742 18411 15943 1 19 . 1 1 124 124 GLU N N 124 117.427 117.427 118.265 -0.838 18411 15944 1 19 . 1 1 124 124 GLU HA H 124 4.310 4.310 4.140 0.170 18411 15945 1 19 . 1 1 124 124 GLU C C 124 176.034 176.034 176.952 -0.918 18411 15946 1 19 . 1 1 124 124 GLU CA C 124 56.164 56.164 57.451 -1.287 18411 15947 1 19 . 1 1 124 124 GLU CB C 124 30.541 30.541 30.141 0.400 18411 15948 1 19 . 1 1 124 124 GLU H H 124 8.155 8.155 8.932 -0.777 18411 15949 1 19 . 1 1 125 125 GLY N N 125 105.681 105.681 105.505 0.176 18411 15950 1 19 . 1 1 125 125 GLY C C 125 174.204 174.204 173.389 0.815 18411 15951 1 19 . 1 1 125 125 GLY CA C 125 45.160 45.160 44.782 0.378 18411 15952 1 19 . 1 1 125 125 GLY H H 125 8.094 8.094 7.835 0.259 18411 15953 1 19 . 1 1 126 126 LYS N N 126 122.326 122.326 121.108 1.218 18411 15954 1 19 . 1 1 126 126 LYS HA H 126 4.647 4.647 5.299 -0.652 18411 15955 1 19 . 1 1 126 126 LYS C C 126 176.390 176.390 176.368 0.022 18411 15956 1 19 . 1 1 126 126 LYS CA C 126 55.393 55.393 54.696 0.697 18411 15957 1 19 . 1 1 126 126 LYS CB C 126 33.569 33.569 34.362 -0.793 18411 15958 1 19 . 1 1 126 126 LYS H H 126 8.502 8.502 8.968 -0.466 18411 15959 1 19 . 1 1 127 127 ILE N N 127 121.946 121.946 126.185 -4.239 18411 15960 1 19 . 1 1 127 127 ILE HA H 127 4.048 4.048 4.348 -0.300 18411 15961 1 19 . 1 1 127 127 ILE C C 127 177.735 177.735 176.629 1.106 18411 15962 1 19 . 1 1 127 127 ILE CA C 127 63.200 63.200 62.526 0.674 18411 15963 1 19 . 1 1 127 127 ILE CB C 127 38.106 38.106 36.932 1.174 18411 15964 1 19 . 1 1 127 127 ILE H H 127 8.739 8.739 9.097 -0.358 18411 15965 1 19 . 1 1 128 128 VAL N N 128 122.026 122.026 124.058 -2.032 18411 15966 1 19 . 1 1 128 128 VAL HA H 128 4.695 4.695 4.284 0.411 18411 15967 1 19 . 1 1 128 128 VAL C C 128 175.968 175.968 175.252 0.716 18411 15968 1 19 . 1 1 128 128 VAL CA C 128 61.535 61.535 61.410 0.125 18411 15969 1 19 . 1 1 128 128 VAL CB C 128 33.996 33.996 32.224 1.772 18411 15970 1 19 . 1 1 128 128 VAL H H 128 9.397 9.397 8.466 0.931 18411 15971 1 19 . 1 1 129 129 LYS N N 129 121.635 121.635 121.069 0.566 18411 15972 1 19 . 1 1 129 129 LYS HA H 129 4.359 4.359 4.543 -0.184 18411 15973 1 19 . 1 1 129 129 LYS C C 129 172.896 172.896 174.438 -1.542 18411 15974 1 19 . 1 1 129 129 LYS CA C 129 57.322 57.322 55.345 1.977 18411 15975 1 19 . 1 1 129 129 LYS CB C 129 36.802 36.802 34.159 2.643 18411 15976 1 19 . 1 1 129 129 LYS H H 129 7.708 7.708 7.372 0.336 18411 15977 1 19 . 1 1 130 130 LEU N N 130 126.219 126.219 128.151 -1.932 18411 15978 1 19 . 1 1 130 130 LEU HA H 130 5.140 5.140 4.801 0.339 18411 15979 1 19 . 1 1 130 130 LEU C C 130 176.956 176.956 176.807 0.149 18411 15980 1 19 . 1 1 130 130 LEU CA C 130 53.572 53.572 53.559 0.013 18411 15981 1 19 . 1 1 130 130 LEU CB C 130 44.700 44.700 40.817 3.883 18411 15982 1 19 . 1 1 130 130 LEU H H 130 8.301 8.301 8.613 -0.312 18411 15983 1 19 . 1 1 131 131 THR N N 131 113.484 113.484 119.423 -5.939 18411 15984 1 19 . 1 1 131 131 THR HA H 131 5.136 5.136 4.651 0.485 18411 15985 1 19 . 1 1 131 131 THR C C 131 175.492 175.492 174.545 0.947 18411 15986 1 19 . 1 1 131 131 THR CA C 131 61.033 61.033 61.124 -0.091 18411 15987 1 19 . 1 1 131 131 THR CB C 131 70.922 70.922 71.263 -0.341 18411 15988 1 19 . 1 1 131 131 THR H H 131 9.298 9.298 9.082 0.216 18411 15989 1 19 . 1 1 132 132 ARG HA H 132 5.150 5.150 4.668 0.482 18411 15990 1 19 . 1 1 132 132 ARG CA C 132 55.585 55.585 55.515 0.070 18411 15991 1 19 . 1 1 132 132 ARG CB C 132 33.035 33.035 31.364 1.671 18411 15992 1 19 . 1 1 133 133 LEU N N 133 118.967 118.967 117.102 1.865 18411 15993 1 19 . 1 1 133 133 LEU HA H 133 4.302 4.302 4.156 0.146 18411 15994 1 19 . 1 1 133 133 LEU CA C 133 56.200 56.200 55.567 0.633 18411 15995 1 19 . 1 1 133 133 LEU CB C 133 41.616 41.616 41.898 -0.282 18411 15996 1 19 . 1 1 133 133 LEU H H 133 8.167 8.167 8.327 -0.160 18411 15997 1 19 . 1 1 134 134 TYR N N 134 124.816 124.816 122.346 2.470 18411 15998 1 19 . 1 1 134 134 TYR HA H 134 4.963 4.963 4.097 0.866 18411 15999 1 19 . 1 1 134 134 TYR CA C 134 57.154 57.154 59.563 -2.409 18411 16000 1 19 . 1 1 134 134 TYR CB C 134 38.948 38.948 37.489 1.459 18411 16001 1 19 . 1 1 134 134 TYR H H 134 7.805 7.805 8.181 -0.376 18411 16002 1 19 . 1 1 135 135 ASN HA H 135 4.415 4.415 4.634 -0.219 18411 16003 1 19 . 1 1 135 135 ASN CA C 135 51.995 51.995 50.820 1.175 18411 16004 1 19 . 1 1 135 135 ASN CB C 135 40.521 40.521 40.498 0.023 18411 16005 1 19 . 1 1 136 136 GLU HA H 136 3.694 3.694 3.521 0.173 18411 16006 1 19 . 1 1 136 136 GLU C C 136 178.797 178.797 178.393 0.404 18411 16007 1 19 . 1 1 136 136 GLU CA C 136 61.052 61.052 60.373 0.679 18411 16008 1 19 . 1 1 136 136 GLU CB C 136 29.353 29.353 29.477 -0.124 18411 16009 1 19 . 1 1 137 137 GLU N N 137 120.717 120.717 118.733 1.984 18411 16010 1 19 . 1 1 137 137 GLU HA H 137 4.176 4.176 3.999 0.177 18411 16011 1 19 . 1 1 137 137 GLU C C 137 179.707 179.707 178.933 0.774 18411 16012 1 19 . 1 1 137 137 GLU CA C 137 59.800 59.800 59.440 0.360 18411 16013 1 19 . 1 1 137 137 GLU CB C 137 29.284 29.284 28.792 0.492 18411 16014 1 19 . 1 1 137 137 GLU H H 137 8.364 8.364 7.895 0.469 18411 16015 1 19 . 1 1 138 138 GLU N N 138 122.448 122.448 120.015 2.433 18411 16016 1 19 . 1 1 138 138 GLU HA H 138 4.190 4.190 4.111 0.079 18411 16017 1 19 . 1 1 138 138 GLU C C 138 179.927 179.927 179.521 0.406 18411 16018 1 19 . 1 1 138 138 GLU CA C 138 59.129 59.129 59.323 -0.194 18411 16019 1 19 . 1 1 138 138 GLU CB C 138 30.064 30.064 29.566 0.498 18411 16020 1 19 . 1 1 138 138 GLU H H 138 8.448 8.448 8.172 0.276 18411 16021 1 19 . 1 1 139 139 PHE N N 139 122.454 122.454 121.818 0.636 18411 16022 1 19 . 1 1 139 139 PHE HA H 139 4.171 4.171 4.191 -0.020 18411 16023 1 19 . 1 1 139 139 PHE C C 139 177.370 177.370 176.568 0.802 18411 16024 1 19 . 1 1 139 139 PHE CA C 139 62.690 62.690 61.402 1.288 18411 16025 1 19 . 1 1 139 139 PHE CB C 139 39.579 39.579 39.087 0.492 18411 16026 1 19 . 1 1 139 139 PHE H H 139 8.895 8.895 8.823 0.072 18411 16027 1 19 . 1 1 140 140 ALA N N 140 120.155 120.155 121.310 -1.155 18411 16028 1 19 . 1 1 140 140 ALA HA H 140 4.100 4.100 3.813 0.287 18411 16029 1 19 . 1 1 140 140 ALA C C 140 181.270 181.270 179.455 1.815 18411 16030 1 19 . 1 1 140 140 ALA CA C 140 55.203 55.203 55.353 -0.150 18411 16031 1 19 . 1 1 140 140 ALA CB C 140 17.716 17.716 18.030 -0.314 18411 16032 1 19 . 1 1 140 140 ALA H H 140 8.240 8.240 8.503 -0.263 18411 16033 1 19 . 1 1 141 141 SER N N 141 114.095 114.095 114.605 -0.510 18411 16034 1 19 . 1 1 141 141 SER HA H 141 4.267 4.267 4.181 0.086 18411 16035 1 19 . 1 1 141 141 SER C C 141 176.895 176.895 176.782 0.113 18411 16036 1 19 . 1 1 141 141 SER CA C 141 61.291 61.291 61.420 -0.129 18411 16037 1 19 . 1 1 141 141 SER CB C 141 62.690 62.690 62.613 0.077 18411 16038 1 19 . 1 1 141 141 SER H H 141 7.835 7.835 8.224 -0.389 18411 16039 1 19 . 1 1 142 142 LEU N N 142 126.764 126.764 123.830 2.934 18411 16040 1 19 . 1 1 142 142 LEU HA H 142 3.908 3.908 4.064 -0.156 18411 16041 1 19 . 1 1 142 142 LEU C C 142 176.876 176.876 178.806 -1.930 18411 16042 1 19 . 1 1 142 142 LEU CA C 142 58.757 58.757 57.894 0.863 18411 16043 1 19 . 1 1 142 142 LEU CB C 142 41.653 41.653 41.859 -0.206 18411 16044 1 19 . 1 1 142 142 LEU H H 142 7.833 7.833 7.460 0.373 18411 16045 1 19 . 1 1 143 143 VAL N N 143 119.066 119.066 118.902 0.164 18411 16046 1 19 . 1 1 143 143 VAL HA H 143 3.174 3.174 3.484 -0.310 18411 16047 1 19 . 1 1 143 143 VAL C C 143 178.479 178.479 177.314 1.165 18411 16048 1 19 . 1 1 143 143 VAL CA C 143 66.864 66.864 66.360 0.504 18411 16049 1 19 . 1 1 143 143 VAL CB C 143 32.350 32.350 31.670 0.680 18411 16050 1 19 . 1 1 143 143 VAL H H 143 8.010 8.010 8.168 -0.158 18411 16051 1 19 . 1 1 144 144 GLN N N 144 118.170 118.170 118.540 -0.370 18411 16052 1 19 . 1 1 144 144 GLN HA H 144 4.028 4.028 3.915 0.113 18411 16053 1 19 . 1 1 144 144 GLN C C 144 178.335 178.335 177.774 0.561 18411 16054 1 19 . 1 1 144 144 GLN CA C 144 59.591 59.591 59.462 0.129 18411 16055 1 19 . 1 1 144 144 GLN CB C 144 32.906 32.906 28.451 4.455 18411 16056 1 19 . 1 1 144 144 GLN H H 144 7.935 7.935 7.897 0.038 18411 16057 1 19 . 1 1 145 145 GLN N N 145 119.839 119.839 120.036 -0.197 18411 16058 1 19 . 1 1 145 145 GLN HA H 145 4.029 4.029 4.050 -0.021 18411 16059 1 19 . 1 1 145 145 GLN C C 145 178.686 178.686 178.661 0.025 18411 16060 1 19 . 1 1 145 145 GLN CA C 145 59.270 59.270 58.950 0.320 18411 16061 1 19 . 1 1 145 145 GLN CB C 145 27.587 27.587 28.528 -0.941 18411 16062 1 19 . 1 1 145 145 GLN H H 145 7.986 7.986 7.695 0.291 18411 16063 1 19 . 1 1 146 146 ILE N N 146 119.900 119.900 120.472 -0.572 18411 16064 1 19 . 1 1 146 146 ILE HA H 146 3.345 3.345 3.632 -0.287 18411 16065 1 19 . 1 1 146 146 ILE C C 146 177.393 177.393 178.245 -0.852 18411 16066 1 19 . 1 1 146 146 ILE CA C 146 66.902 66.902 65.156 1.746 18411 16067 1 19 . 1 1 146 146 ILE CB C 146 38.281 38.281 37.720 0.561 18411 16068 1 19 . 1 1 146 146 ILE H H 146 8.171 8.171 8.777 -0.606 18411 16069 1 19 . 1 1 147 147 ASN N N 147 116.163 116.163 118.086 -1.923 18411 16070 1 19 . 1 1 147 147 ASN HA H 147 4.196 4.196 4.502 -0.306 18411 16071 1 19 . 1 1 147 147 ASN C C 147 179.035 179.035 178.088 0.947 18411 16072 1 19 . 1 1 147 147 ASN CA C 147 56.348 56.348 56.134 0.214 18411 16073 1 19 . 1 1 147 147 ASN CB C 147 38.062 38.062 38.083 -0.021 18411 16074 1 19 . 1 1 147 147 ASN H H 147 7.896 7.896 8.321 -0.425 18411 16075 1 19 . 1 1 148 148 GLU N N 148 118.645 118.645 120.175 -1.530 18411 16076 1 19 . 1 1 148 148 GLU HA H 148 3.970 3.970 4.225 -0.255 18411 16077 1 19 . 1 1 148 148 GLU C C 148 179.964 179.964 178.562 1.402 18411 16078 1 19 . 1 1 148 148 GLU CA C 148 59.340 59.340 58.362 0.978 18411 16079 1 19 . 1 1 148 148 GLU CB C 148 29.572 29.572 29.185 0.387 18411 16080 1 19 . 1 1 148 148 GLU H H 148 8.311 8.311 8.136 0.175 18411 16081 1 19 . 1 1 149 149 MET N N 149 119.218 119.218 118.194 1.024 18411 16082 1 19 . 1 1 149 149 MET HA H 149 4.140 4.140 4.249 -0.109 18411 16083 1 19 . 1 1 149 149 MET C C 149 179.419 179.419 177.895 1.524 18411 16084 1 19 . 1 1 149 149 MET CA C 149 59.040 59.040 58.001 1.039 18411 16085 1 19 . 1 1 149 149 MET CB C 149 35.293 35.293 32.249 3.044 18411 16086 1 19 . 1 1 149 149 MET H H 149 8.527 8.527 7.803 0.724 18411 16087 1 19 . 1 1 150 150 LEU N N 150 118.078 118.078 115.836 2.242 18411 16088 1 19 . 1 1 150 150 LEU HA H 150 4.245 4.245 4.224 0.021 18411 16089 1 19 . 1 1 150 150 LEU C C 150 178.141 178.141 178.361 -0.220 18411 16090 1 19 . 1 1 150 150 LEU CA C 150 55.824 55.824 55.925 -0.101 18411 16091 1 19 . 1 1 150 150 LEU CB C 150 41.533 41.533 41.581 -0.048 18411 16092 1 19 . 1 1 150 150 LEU H H 150 7.917 7.917 7.507 0.410 18411 16093 1 19 . 1 1 151 151 LYS N N 151 120.096 120.096 115.525 4.571 18411 16094 1 19 . 1 1 151 151 LYS HA H 151 4.181 4.181 4.351 -0.170 18411 16095 1 19 . 1 1 151 151 LYS C C 151 177.029 177.029 177.046 -0.017 18411 16096 1 19 . 1 1 151 151 LYS CA C 151 57.490 57.490 55.271 2.219 18411 16097 1 19 . 1 1 151 151 LYS CB C 151 32.921 32.921 33.270 -0.349 18411 16098 1 19 . 1 1 151 151 LYS H H 151 7.466 7.466 7.321 0.145 18411 16099 1 19 . 1 1 152 152 GLU N N 152 120.188 120.188 121.817 -1.629 18411 16100 1 19 . 1 1 152 152 GLU HA H 152 4.264 4.264 3.726 0.538 18411 16101 1 19 . 1 1 152 152 GLU C C 152 177.259 177.259 176.706 0.553 18411 16102 1 19 . 1 1 152 152 GLU CA C 152 57.070 57.070 55.358 1.712 18411 16103 1 19 . 1 1 152 152 GLU CB C 152 30.385 30.385 27.879 2.506 18411 16104 1 19 . 1 1 152 152 GLU H H 152 7.820 7.820 7.756 0.064 18411 16105 1 19 . 1 1 153 153 GLY N N 153 109.046 109.046 111.061 -2.015 18411 16106 1 19 . 1 1 153 153 GLY C C 153 174.204 174.204 175.317 -1.113 18411 16107 1 19 . 1 1 153 153 GLY CA C 153 45.327 45.327 44.801 0.526 18411 16108 1 19 . 1 1 153 153 GLY H H 153 8.278 8.278 8.147 0.131 18411 16109 1 19 . 1 1 158 158 HIS HA H 158 4.606 4.606 4.562 0.044 18411 16110 1 19 . 1 1 158 158 HIS C C 158 174.423 174.423 174.684 -0.261 18411 16111 1 19 . 1 1 158 158 HIS CA C 158 56.235 56.235 56.525 -0.290 18411 16112 1 19 . 1 1 158 158 HIS CB C 158 31.028 31.028 30.802 0.226 18411 16113 1 20 . 1 1 3 3 LEU HA H 3 3.930 3.930 4.329 -0.399 18411 16114 1 20 . 1 1 3 3 LEU CA C 3 58.669 58.669 54.986 3.683 18411 16115 1 20 . 1 1 3 3 LEU CB C 3 42.010 42.010 40.286 1.724 18411 16116 1 20 . 1 1 4 4 GLY C C 4 173.604 173.604 173.902 -0.298 18411 16117 1 20 . 1 1 4 4 GLY CA C 4 46.072 46.072 45.202 0.870 18411 16118 1 20 . 1 1 5 5 TYR N N 5 116.195 116.195 117.714 -1.519 18411 16119 1 20 . 1 1 5 5 TYR HA H 5 4.769 4.769 4.728 0.041 18411 16120 1 20 . 1 1 5 5 TYR C C 5 177.898 177.898 175.983 1.915 18411 16121 1 20 . 1 1 5 5 TYR CA C 5 60.102 60.102 57.138 2.964 18411 16122 1 20 . 1 1 5 5 TYR CB C 5 39.615 39.615 41.462 -1.847 18411 16123 1 20 . 1 1 5 5 TYR H H 5 7.849 7.849 7.487 0.362 18411 16124 1 20 . 1 1 6 6 ILE N N 6 115.338 115.338 117.858 -2.520 18411 16125 1 20 . 1 1 6 6 ILE HA H 6 4.514 4.514 4.429 0.085 18411 16126 1 20 . 1 1 6 6 ILE C C 6 175.977 175.977 175.028 0.949 18411 16127 1 20 . 1 1 6 6 ILE CA C 6 61.623 61.623 60.972 0.651 18411 16128 1 20 . 1 1 6 6 ILE CB C 6 38.270 38.270 37.955 0.315 18411 16129 1 20 . 1 1 6 6 ILE H H 6 8.687 8.687 8.329 0.358 18411 16130 1 20 . 1 1 7 7 VAL N N 7 113.122 113.122 120.141 -7.019 18411 16131 1 20 . 1 1 7 7 VAL HA H 7 4.730 4.730 4.268 0.462 18411 16132 1 20 . 1 1 7 7 VAL C C 7 174.331 174.331 174.062 0.269 18411 16133 1 20 . 1 1 7 7 VAL CA C 7 58.867 58.867 59.749 -0.882 18411 16134 1 20 . 1 1 7 7 VAL CB C 7 34.475 34.475 34.197 0.278 18411 16135 1 20 . 1 1 7 7 VAL H H 7 6.845 6.845 7.398 -0.553 18411 16136 1 20 . 1 1 8 8 ARG N N 8 117.597 117.597 122.439 -4.842 18411 16137 1 20 . 1 1 8 8 ARG HA H 8 4.539 4.539 4.540 -0.001 18411 16138 1 20 . 1 1 8 8 ARG C C 8 175.618 175.618 175.537 0.081 18411 16139 1 20 . 1 1 8 8 ARG CA C 8 53.717 53.717 53.987 -0.270 18411 16140 1 20 . 1 1 8 8 ARG CB C 8 34.126 34.126 32.928 1.198 18411 16141 1 20 . 1 1 8 8 ARG H H 8 7.978 7.978 8.186 -0.208 18411 16142 1 20 . 1 1 9 9 ILE N N 9 118.377 118.377 120.228 -1.851 18411 16143 1 20 . 1 1 9 9 ILE HA H 9 3.465 3.465 4.128 -0.663 18411 16144 1 20 . 1 1 9 9 ILE C C 9 177.771 177.771 177.409 0.362 18411 16145 1 20 . 1 1 9 9 ILE CA C 9 62.350 62.350 62.538 -0.188 18411 16146 1 20 . 1 1 9 9 ILE CB C 9 37.049 37.049 37.819 -0.770 18411 16147 1 20 . 1 1 9 9 ILE H H 9 8.085 8.085 8.375 -0.290 18411 16148 1 20 . 1 1 10 10 GLY N N 10 115.204 115.204 114.470 0.734 18411 16149 1 20 . 1 1 10 10 GLY C C 10 174.235 174.235 174.084 0.151 18411 16150 1 20 . 1 1 10 10 GLY CA C 10 44.763 44.763 45.172 -0.409 18411 16151 1 20 . 1 1 10 10 GLY H H 10 9.149 9.149 9.198 -0.049 18411 16152 1 20 . 1 1 11 11 GLU N N 11 119.157 119.157 120.514 -1.357 18411 16153 1 20 . 1 1 11 11 GLU HA H 11 4.392 4.392 4.554 -0.162 18411 16154 1 20 . 1 1 11 11 GLU C C 11 176.729 176.729 175.915 0.814 18411 16155 1 20 . 1 1 11 11 GLU CA C 11 55.108 55.108 54.869 0.239 18411 16156 1 20 . 1 1 11 11 GLU CB C 11 31.473 31.473 30.551 0.922 18411 16157 1 20 . 1 1 11 11 GLU H H 11 7.631 7.631 7.527 0.104 18411 16158 1 20 . 1 1 12 12 MET N N 12 119.646 119.646 119.968 -0.322 18411 16159 1 20 . 1 1 12 12 MET HA H 12 4.593 4.593 4.760 -0.167 18411 16160 1 20 . 1 1 12 12 MET C C 12 177.162 177.162 177.063 0.099 18411 16161 1 20 . 1 1 12 12 MET CA C 12 54.475 54.475 53.873 0.602 18411 16162 1 20 . 1 1 12 12 MET CB C 12 30.749 30.749 32.259 -1.510 18411 16163 1 20 . 1 1 12 12 MET H H 12 8.566 8.566 8.519 0.047 18411 16164 1 20 . 1 1 13 13 ALA N N 13 129.735 129.735 128.862 0.873 18411 16165 1 20 . 1 1 13 13 ALA HA H 13 4.293 4.293 4.445 -0.152 18411 16166 1 20 . 1 1 13 13 ALA C C 13 175.992 175.992 176.116 -0.124 18411 16167 1 20 . 1 1 13 13 ALA CA C 13 50.676 50.676 50.365 0.311 18411 16168 1 20 . 1 1 13 13 ALA CB C 13 18.125 18.125 18.761 -0.635 18411 16169 1 20 . 1 1 13 13 ALA H H 13 8.626 8.626 8.546 0.080 18411 16170 1 20 . 1 1 14 14 PRO HA H 14 4.253 4.253 4.391 -0.138 18411 16171 1 20 . 1 1 14 14 PRO C C 14 176.066 176.066 175.777 0.289 18411 16172 1 20 . 1 1 14 14 PRO CA C 14 63.478 63.478 62.798 0.680 18411 16173 1 20 . 1 1 14 14 PRO CB C 14 32.987 32.987 32.270 0.717 18411 16174 1 20 . 1 1 15 15 ASP N N 15 123.075 123.075 122.158 0.917 18411 16175 1 20 . 1 1 15 15 ASP HA H 15 4.700 4.700 4.412 0.288 18411 16176 1 20 . 1 1 15 15 ASP C C 15 176.067 176.067 175.744 0.323 18411 16177 1 20 . 1 1 15 15 ASP CA C 15 53.628 53.628 55.152 -1.524 18411 16178 1 20 . 1 1 15 15 ASP CB C 15 41.613 41.613 42.134 -0.521 18411 16179 1 20 . 1 1 15 15 ASP H H 15 8.373 8.373 8.375 -0.002 18411 16180 1 20 . 1 1 16 16 PHE N N 16 114.256 114.256 116.950 -2.694 18411 16181 1 20 . 1 1 16 16 PHE HA H 16 4.869 4.869 4.930 -0.061 18411 16182 1 20 . 1 1 16 16 PHE C C 16 173.028 173.028 173.563 -0.535 18411 16183 1 20 . 1 1 16 16 PHE CA C 16 56.721 56.721 55.746 0.975 18411 16184 1 20 . 1 1 16 16 PHE CB C 16 40.560 40.560 42.175 -1.615 18411 16185 1 20 . 1 1 16 16 PHE H H 16 7.950 7.950 7.541 0.409 18411 16186 1 20 . 1 1 17 17 THR N N 17 116.459 116.459 117.867 -1.408 18411 16187 1 20 . 1 1 17 17 THR HA H 17 5.244 5.244 5.310 -0.066 18411 16188 1 20 . 1 1 17 17 THR C C 17 172.722 172.722 173.887 -1.165 18411 16189 1 20 . 1 1 17 17 THR CA C 17 62.061 62.061 62.020 0.041 18411 16190 1 20 . 1 1 17 17 THR CB C 17 70.882 70.882 69.310 1.572 18411 16191 1 20 . 1 1 17 17 THR H H 17 8.596 8.596 8.586 0.010 18411 16192 1 20 . 1 1 18 18 ILE N N 18 128.165 128.165 127.995 0.170 18411 16193 1 20 . 1 1 18 18 ILE HA H 18 4.995 4.995 4.596 0.399 18411 16194 1 20 . 1 1 18 18 ILE C C 18 172.309 172.309 173.949 -1.640 18411 16195 1 20 . 1 1 18 18 ILE CA C 18 59.123 59.123 59.210 -0.087 18411 16196 1 20 . 1 1 18 18 ILE CB C 18 43.984 43.984 41.957 2.027 18411 16197 1 20 . 1 1 18 18 ILE H H 18 9.574 9.574 9.119 0.455 18411 16198 1 20 . 1 1 19 19 THR N N 19 124.473 124.473 124.067 0.406 18411 16199 1 20 . 1 1 19 19 THR HA H 19 4.821 4.821 4.660 0.161 18411 16200 1 20 . 1 1 19 19 THR C C 19 174.104 174.104 174.479 -0.375 18411 16201 1 20 . 1 1 19 19 THR CA C 19 62.316 62.316 63.091 -0.775 18411 16202 1 20 . 1 1 19 19 THR CB C 19 69.287 69.287 68.886 0.401 18411 16203 1 20 . 1 1 19 19 THR H H 19 9.081 9.081 8.799 0.282 18411 16204 1 20 . 1 1 20 20 LEU N N 20 125.167 125.167 126.753 -1.586 18411 16205 1 20 . 1 1 20 20 LEU HA H 20 5.082 5.082 4.863 0.219 18411 16206 1 20 . 1 1 20 20 LEU C C 20 181.023 181.023 179.524 1.499 18411 16207 1 20 . 1 1 20 20 LEU CA C 20 54.191 54.191 54.500 -0.309 18411 16208 1 20 . 1 1 20 20 LEU CB C 20 42.219 42.219 42.838 -0.619 18411 16209 1 20 . 1 1 20 20 LEU H H 20 9.227 9.227 9.158 0.069 18411 16210 1 20 . 1 1 21 21 THR N N 21 109.887 109.887 113.801 -3.914 18411 16211 1 20 . 1 1 21 21 THR HA H 21 3.831 3.831 4.093 -0.262 18411 16212 1 20 . 1 1 21 21 THR C C 21 174.716 174.716 174.942 -0.226 18411 16213 1 20 . 1 1 21 21 THR CA C 21 64.992 64.992 65.517 -0.526 18411 16214 1 20 . 1 1 21 21 THR CB C 21 68.529 68.529 68.383 0.146 18411 16215 1 20 . 1 1 21 21 THR H H 21 8.603 8.603 8.522 0.081 18411 16216 1 20 . 1 1 22 22 ASP N N 22 117.311 117.311 117.946 -0.635 18411 16217 1 20 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.644 -0.050 18411 16218 1 20 . 1 1 22 22 ASP C C 22 177.771 177.771 176.888 0.883 18411 16219 1 20 . 1 1 22 22 ASP CA C 22 53.173 53.173 53.466 -0.293 18411 16220 1 20 . 1 1 22 22 ASP CB C 22 40.449 40.449 40.127 0.322 18411 16221 1 20 . 1 1 22 22 ASP H H 22 7.530 7.530 7.739 -0.209 18411 16222 1 20 . 1 1 23 23 GLY N N 23 108.847 108.847 109.233 -0.386 18411 16223 1 20 . 1 1 23 23 GLY C C 23 174.806 174.806 174.008 0.798 18411 16224 1 20 . 1 1 23 23 GLY CA C 23 45.028 45.028 45.029 -0.001 18411 16225 1 20 . 1 1 23 23 GLY H H 23 8.203 8.203 8.003 0.200 18411 16226 1 20 . 1 1 24 24 LYS N N 24 122.092 122.092 122.470 -0.378 18411 16227 1 20 . 1 1 24 24 LYS HA H 24 4.267 4.267 4.304 -0.037 18411 16228 1 20 . 1 1 24 24 LYS C C 24 175.350 175.350 176.004 -0.654 18411 16229 1 20 . 1 1 24 24 LYS CA C 24 57.060 57.060 55.832 1.228 18411 16230 1 20 . 1 1 24 24 LYS CB C 24 33.271 33.271 32.820 0.451 18411 16231 1 20 . 1 1 24 24 LYS H H 24 7.881 7.881 7.732 0.149 18411 16232 1 20 . 1 1 25 25 GLN N N 25 119.585 119.585 125.825 -6.240 18411 16233 1 20 . 1 1 25 25 GLN HA H 25 5.561 5.561 4.879 0.682 18411 16234 1 20 . 1 1 25 25 GLN C C 25 176.631 176.631 175.764 0.867 18411 16235 1 20 . 1 1 25 25 GLN CA C 25 54.572 54.572 55.510 -0.938 18411 16236 1 20 . 1 1 25 25 GLN CB C 25 31.621 31.621 29.302 2.319 18411 16237 1 20 . 1 1 25 25 GLN H H 25 8.365 8.365 8.729 -0.364 18411 16238 1 20 . 1 1 26 26 VAL N N 26 123.115 123.115 122.621 0.494 18411 16239 1 20 . 1 1 26 26 VAL HA H 26 4.466 4.466 4.551 -0.085 18411 16240 1 20 . 1 1 26 26 VAL C C 26 174.390 174.390 174.479 -0.089 18411 16241 1 20 . 1 1 26 26 VAL CA C 26 61.142 61.142 59.462 1.680 18411 16242 1 20 . 1 1 26 26 VAL CB C 26 35.962 35.962 33.991 1.971 18411 16243 1 20 . 1 1 26 26 VAL H H 26 9.069 9.069 9.202 -0.133 18411 16244 1 20 . 1 1 27 27 THR N N 27 122.509 122.509 119.218 3.291 18411 16245 1 20 . 1 1 27 27 THR HA H 27 5.437 5.437 5.047 0.390 18411 16246 1 20 . 1 1 27 27 THR C C 27 176.330 176.330 175.770 0.560 18411 16247 1 20 . 1 1 27 27 THR CA C 27 60.068 60.068 60.603 -0.535 18411 16248 1 20 . 1 1 27 27 THR CB C 27 70.655 70.655 70.890 -0.235 18411 16249 1 20 . 1 1 27 27 THR H H 27 8.256 8.256 8.211 0.045 18411 16250 1 20 . 1 1 28 28 LEU N N 28 131.816 131.816 126.507 5.309 18411 16251 1 20 . 1 1 28 28 LEU HA H 28 3.607 3.607 3.682 -0.075 18411 16252 1 20 . 1 1 28 28 LEU C C 28 180.093 180.093 178.381 1.712 18411 16253 1 20 . 1 1 28 28 LEU CA C 28 59.264 59.264 58.084 1.179 18411 16254 1 20 . 1 1 28 28 LEU CB C 28 39.396 39.396 41.771 -2.375 18411 16255 1 20 . 1 1 28 28 LEU H H 28 8.311 8.311 8.479 -0.169 18411 16256 1 20 . 1 1 29 29 SER N N 29 114.727 114.727 114.065 0.662 18411 16257 1 20 . 1 1 29 29 SER HA H 29 4.003 4.003 4.183 -0.180 18411 16258 1 20 . 1 1 29 29 SER C C 29 177.762 177.762 176.730 1.032 18411 16259 1 20 . 1 1 29 29 SER CA C 29 60.896 60.896 61.687 -0.791 18411 16260 1 20 . 1 1 29 29 SER CB C 29 61.091 61.091 62.635 -1.544 18411 16261 1 20 . 1 1 29 29 SER H H 29 9.491 9.491 9.113 0.378 18411 16262 1 20 . 1 1 30 30 SER N N 30 119.100 119.100 117.394 1.706 18411 16263 1 20 . 1 1 30 30 SER HA H 30 4.476 4.476 4.374 0.102 18411 16264 1 20 . 1 1 30 30 SER C C 30 175.104 175.104 174.357 0.747 18411 16265 1 20 . 1 1 30 30 SER CA C 30 60.661 60.661 60.327 0.334 18411 16266 1 20 . 1 1 30 30 SER CB C 30 63.174 63.174 63.080 0.094 18411 16267 1 20 . 1 1 30 30 SER H H 30 7.878 7.878 7.624 0.254 18411 16268 1 20 . 1 1 31 31 LEU N N 31 121.415 121.415 121.072 0.343 18411 16269 1 20 . 1 1 31 31 LEU HA H 31 4.258 4.258 4.517 -0.259 18411 16270 1 20 . 1 1 31 31 LEU C C 31 175.710 175.710 175.654 0.056 18411 16271 1 20 . 1 1 31 31 LEU CA C 31 53.804 53.804 53.472 0.332 18411 16272 1 20 . 1 1 31 31 LEU CB C 31 41.285 41.285 42.563 -1.278 18411 16273 1 20 . 1 1 31 31 LEU H H 31 8.026 8.026 7.412 0.614 18411 16274 1 20 . 1 1 32 32 ARG N N 32 119.061 119.061 120.299 -1.238 18411 16275 1 20 . 1 1 32 32 ARG HA H 32 4.411 4.411 4.140 0.271 18411 16276 1 20 . 1 1 32 32 ARG C C 32 177.585 177.585 177.044 0.541 18411 16277 1 20 . 1 1 32 32 ARG CA C 32 57.590 57.590 56.762 0.828 18411 16278 1 20 . 1 1 32 32 ARG CB C 32 29.497 29.497 30.478 -0.981 18411 16279 1 20 . 1 1 32 32 ARG H H 32 6.788 6.788 7.142 -0.354 18411 16280 1 20 . 1 1 33 33 GLY N N 33 114.033 114.033 109.458 4.575 18411 16281 1 20 . 1 1 33 33 GLY C C 33 173.456 173.456 173.130 0.326 18411 16282 1 20 . 1 1 33 33 GLY CA C 33 44.684 44.684 45.000 -0.316 18411 16283 1 20 . 1 1 33 33 GLY H H 33 9.120 9.120 8.663 0.457 18411 16284 1 20 . 1 1 34 34 LYS N N 34 120.270 120.270 120.259 0.011 18411 16285 1 20 . 1 1 34 34 LYS HA H 34 4.606 4.606 4.626 -0.020 18411 16286 1 20 . 1 1 34 34 LYS C C 34 175.350 175.350 175.963 -0.613 18411 16287 1 20 . 1 1 34 34 LYS CA C 34 54.786 54.786 54.261 0.525 18411 16288 1 20 . 1 1 34 34 LYS CB C 34 34.125 34.125 35.060 -0.935 18411 16289 1 20 . 1 1 34 34 LYS H H 34 8.146 8.146 7.188 0.958 18411 16290 1 20 . 1 1 35 35 VAL N N 35 122.059 122.059 116.880 5.179 18411 16291 1 20 . 1 1 35 35 VAL HA H 35 4.020 4.020 4.435 -0.415 18411 16292 1 20 . 1 1 35 35 VAL C C 35 174.699 174.699 174.675 0.024 18411 16293 1 20 . 1 1 35 35 VAL CA C 35 63.108 63.108 62.201 0.907 18411 16294 1 20 . 1 1 35 35 VAL CB C 35 33.022 33.022 32.126 0.896 18411 16295 1 20 . 1 1 35 35 VAL H H 35 8.757 8.757 8.200 0.557 18411 16296 1 20 . 1 1 36 36 VAL N N 36 125.815 125.815 126.882 -1.067 18411 16297 1 20 . 1 1 36 36 VAL HA H 36 4.856 4.856 4.519 0.337 18411 16298 1 20 . 1 1 36 36 VAL C C 36 174.622 174.622 174.640 -0.018 18411 16299 1 20 . 1 1 36 36 VAL CA C 36 60.078 60.078 60.407 -0.329 18411 16300 1 20 . 1 1 36 36 VAL CB C 36 35.605 35.605 33.585 2.020 18411 16301 1 20 . 1 1 36 36 VAL H H 36 8.485 8.485 8.664 -0.179 18411 16302 1 20 . 1 1 37 37 MET N N 37 126.478 126.478 127.827 -1.349 18411 16303 1 20 . 1 1 37 37 MET HA H 37 5.383 5.383 4.955 0.428 18411 16304 1 20 . 1 1 37 37 MET C C 37 173.473 173.473 173.729 -0.256 18411 16305 1 20 . 1 1 37 37 MET CA C 37 53.661 53.661 53.602 0.059 18411 16306 1 20 . 1 1 37 37 MET CB C 37 35.948 35.948 34.930 1.018 18411 16307 1 20 . 1 1 37 37 MET H H 37 8.694 8.694 8.905 -0.211 18411 16308 1 20 . 1 1 38 38 LEU N N 38 124.275 124.275 125.806 -1.531 18411 16309 1 20 . 1 1 38 38 LEU HA H 38 5.100 5.100 5.093 0.007 18411 16310 1 20 . 1 1 38 38 LEU C C 38 175.828 175.828 174.741 1.087 18411 16311 1 20 . 1 1 38 38 LEU CA C 38 52.144 52.144 53.307 -1.163 18411 16312 1 20 . 1 1 38 38 LEU CB C 38 42.898 42.898 44.853 -1.955 18411 16313 1 20 . 1 1 38 38 LEU H H 38 9.181 9.181 9.234 -0.053 18411 16314 1 20 . 1 1 39 39 GLN N N 39 124.390 124.390 123.643 0.747 18411 16315 1 20 . 1 1 39 39 GLN HA H 39 5.369 5.369 4.953 0.416 18411 16316 1 20 . 1 1 39 39 GLN C C 39 175.696 175.696 174.474 1.222 18411 16317 1 20 . 1 1 39 39 GLN CA C 39 54.025 54.025 53.853 0.172 18411 16318 1 20 . 1 1 39 39 GLN CB C 39 28.735 28.735 31.560 -2.825 18411 16319 1 20 . 1 1 39 39 GLN H H 39 8.325 8.325 8.459 -0.134 18411 16320 1 20 . 1 1 40 40 PHE N N 40 128.800 128.800 129.114 -0.314 18411 16321 1 20 . 1 1 40 40 PHE HA H 40 5.182 5.182 5.607 -0.425 18411 16322 1 20 . 1 1 40 40 PHE C C 40 175.432 175.432 175.618 -0.186 18411 16323 1 20 . 1 1 40 40 PHE CA C 40 59.370 59.370 57.681 1.689 18411 16324 1 20 . 1 1 40 40 PHE CB C 40 39.256 39.256 39.565 -0.309 18411 16325 1 20 . 1 1 40 40 PHE H H 40 8.899 8.899 9.526 -0.627 18411 16326 1 20 . 1 1 41 41 THR N N 41 117.616 117.616 118.575 -0.959 18411 16327 1 20 . 1 1 41 41 THR HA H 41 5.274 5.274 4.722 0.552 18411 16328 1 20 . 1 1 41 41 THR C C 41 170.795 170.795 172.386 -1.591 18411 16329 1 20 . 1 1 41 41 THR CA C 41 59.448 59.448 59.629 -0.180 18411 16330 1 20 . 1 1 41 41 THR CB C 41 70.892 70.892 71.302 -0.410 18411 16331 1 20 . 1 1 41 41 THR H H 41 8.589 8.589 9.105 -0.516 18411 16332 1 20 . 1 1 42 42 ALA N N 42 122.005 122.005 121.461 0.544 18411 16333 1 20 . 1 1 42 42 ALA HA H 42 4.162 4.162 4.936 -0.774 18411 16334 1 20 . 1 1 42 42 ALA C C 42 177.618 177.618 175.780 1.838 18411 16335 1 20 . 1 1 42 42 ALA CA C 42 52.454 52.454 50.811 1.643 18411 16336 1 20 . 1 1 42 42 ALA CB C 42 20.704 20.704 20.588 0.116 18411 16337 1 20 . 1 1 42 42 ALA H H 42 7.201 7.201 7.611 -0.410 18411 16338 1 20 . 1 1 43 43 SER N N 43 117.426 117.426 114.344 3.082 18411 16339 1 20 . 1 1 43 43 SER HA H 43 1.542 1.542 2.749 -1.207 18411 16340 1 20 . 1 1 43 43 SER C C 43 174.845 174.845 175.115 -0.270 18411 16341 1 20 . 1 1 43 43 SER CA C 43 60.202 60.202 59.356 0.846 18411 16342 1 20 . 1 1 43 43 SER CB C 43 63.040 63.040 63.413 -0.373 18411 16343 1 20 . 1 1 43 43 SER H H 43 9.472 9.472 8.999 0.473 18411 16344 1 20 . 1 1 44 44 TRP N N 44 116.512 116.512 118.385 -1.873 18411 16345 1 20 . 1 1 44 44 TRP HA H 44 4.495 4.495 4.991 -0.496 18411 16346 1 20 . 1 1 44 44 TRP C C 44 176.297 176.297 175.343 0.954 18411 16347 1 20 . 1 1 44 44 TRP CA C 44 53.405 53.405 54.910 -1.504 18411 16348 1 20 . 1 1 44 44 TRP CB C 44 29.450 29.450 28.975 0.475 18411 16349 1 20 . 1 1 44 44 TRP H H 44 6.345 6.345 7.198 -0.853 18411 16350 1 20 . 1 1 45 45 CYS N N 45 125.015 125.015 118.520 6.495 18411 16351 1 20 . 1 1 45 45 CYS HA H 45 4.501 4.501 4.586 -0.085 18411 16352 1 20 . 1 1 45 45 CYS C C 45 176.409 176.409 176.100 0.309 18411 16353 1 20 . 1 1 45 45 CYS CA C 45 58.904 58.904 57.757 1.147 18411 16354 1 20 . 1 1 45 45 CYS CB C 45 28.203 28.203 28.606 -0.403 18411 16355 1 20 . 1 1 45 45 CYS H H 45 6.982 6.982 6.838 0.144 18411 16356 1 20 . 1 1 46 46 GLY CA C 46 47.225 47.225 46.195 1.030 18411 16357 1 20 . 1 1 47 47 VAL HA H 47 3.804 3.804 3.914 -0.110 18411 16358 1 20 . 1 1 47 47 VAL CA C 47 66.661 66.661 65.543 1.118 18411 16359 1 20 . 1 1 47 47 VAL CB C 47 31.506 31.506 31.308 0.198 18411 16360 1 20 . 1 1 48 48 CYS HA H 48 3.875 3.875 4.482 -0.607 18411 16361 1 20 . 1 1 48 48 CYS C C 48 177.961 177.961 176.255 1.706 18411 16362 1 20 . 1 1 48 48 CYS CA C 48 65.053 65.053 62.140 2.913 18411 16363 1 20 . 1 1 48 48 CYS CB C 48 28.741 28.741 26.077 2.664 18411 16364 1 20 . 1 1 49 49 ARG N N 49 115.039 115.039 117.203 -2.164 18411 16365 1 20 . 1 1 49 49 ARG HA H 49 3.898 3.898 4.037 -0.139 18411 16366 1 20 . 1 1 49 49 ARG C C 49 177.871 177.871 176.860 1.011 18411 16367 1 20 . 1 1 49 49 ARG CA C 49 59.837 59.837 58.229 1.608 18411 16368 1 20 . 1 1 49 49 ARG CB C 49 30.585 30.585 29.343 1.242 18411 16369 1 20 . 1 1 49 49 ARG H H 49 7.658 7.658 7.665 -0.007 18411 16370 1 20 . 1 1 50 50 LYS N N 50 117.909 117.909 117.595 0.314 18411 16371 1 20 . 1 1 50 50 LYS HA H 50 4.098 4.098 4.250 -0.152 18411 16372 1 20 . 1 1 50 50 LYS C C 50 177.723 177.723 177.981 -0.258 18411 16373 1 20 . 1 1 50 50 LYS CA C 50 58.198 58.198 58.209 -0.011 18411 16374 1 20 . 1 1 50 50 LYS CB C 50 32.803 32.803 33.345 -0.542 18411 16375 1 20 . 1 1 50 50 LYS H H 50 7.385 7.385 7.779 -0.394 18411 16376 1 20 . 1 1 51 51 GLU N N 51 117.196 117.196 120.051 -2.855 18411 16377 1 20 . 1 1 51 51 GLU HA H 51 3.453 3.453 3.697 -0.244 18411 16378 1 20 . 1 1 51 51 GLU C C 51 179.194 179.194 178.884 0.310 18411 16379 1 20 . 1 1 51 51 GLU CA C 51 57.754 57.754 59.359 -1.605 18411 16380 1 20 . 1 1 51 51 GLU CB C 51 29.825 29.825 29.215 0.610 18411 16381 1 20 . 1 1 51 51 GLU H H 51 7.764 7.764 7.495 0.269 18411 16382 1 20 . 1 1 52 52 MET N N 52 118.785 118.785 118.054 0.731 18411 16383 1 20 . 1 1 52 52 MET HA H 52 3.979 3.979 4.743 -0.764 18411 16384 1 20 . 1 1 52 52 MET C C 52 174.346 174.346 175.336 -0.990 18411 16385 1 20 . 1 1 52 52 MET CA C 52 62.384 62.384 60.467 1.917 18411 16386 1 20 . 1 1 52 52 MET CB C 52 32.805 32.805 30.446 2.359 18411 16387 1 20 . 1 1 52 52 MET H H 52 8.100 8.100 8.761 -0.661 18411 16388 1 20 . 1 1 53 53 PRO HA H 53 4.299 4.299 4.252 0.047 18411 16389 1 20 . 1 1 53 53 PRO C C 53 179.242 179.242 179.221 0.021 18411 16390 1 20 . 1 1 53 53 PRO CA C 53 65.708 65.708 66.293 -0.585 18411 16391 1 20 . 1 1 53 53 PRO CB C 53 31.570 31.570 31.293 0.277 18411 16392 1 20 . 1 1 54 54 PHE N N 54 116.067 116.067 117.040 -0.973 18411 16393 1 20 . 1 1 54 54 PHE HA H 54 4.372 4.372 4.157 0.215 18411 16394 1 20 . 1 1 54 54 PHE C C 54 178.283 178.283 178.100 0.183 18411 16395 1 20 . 1 1 54 54 PHE CA C 54 61.249 61.249 62.736 -1.487 18411 16396 1 20 . 1 1 54 54 PHE CB C 54 38.366 38.366 38.233 0.133 18411 16397 1 20 . 1 1 54 54 PHE H H 54 7.251 7.251 7.680 -0.429 18411 16398 1 20 . 1 1 55 55 ILE N N 55 122.051 122.051 119.897 2.154 18411 16399 1 20 . 1 1 55 55 ILE HA H 55 3.746 3.746 3.906 -0.160 18411 16400 1 20 . 1 1 55 55 ILE C C 55 179.005 179.005 177.946 1.059 18411 16401 1 20 . 1 1 55 55 ILE CA C 55 66.678 66.678 65.959 0.719 18411 16402 1 20 . 1 1 55 55 ILE CB C 55 37.449 37.449 37.743 -0.294 18411 16403 1 20 . 1 1 55 55 ILE H H 55 7.935 7.935 9.150 -1.215 18411 16404 1 20 . 1 1 56 56 GLU N N 56 120.941 120.941 120.717 0.224 18411 16405 1 20 . 1 1 56 56 GLU HA H 56 4.578 4.578 4.235 0.343 18411 16406 1 20 . 1 1 56 56 GLU C C 56 177.034 177.034 178.645 -1.611 18411 16407 1 20 . 1 1 56 56 GLU CA C 56 59.607 59.607 60.203 -0.597 18411 16408 1 20 . 1 1 56 56 GLU CB C 56 29.640 29.640 29.277 0.363 18411 16409 1 20 . 1 1 56 56 GLU H H 56 8.657 8.657 8.762 -0.105 18411 16410 1 20 . 1 1 57 57 LYS N N 57 114.712 114.712 118.107 -3.395 18411 16411 1 20 . 1 1 57 57 LYS HA H 57 4.165 4.165 4.148 0.017 18411 16412 1 20 . 1 1 57 57 LYS C C 57 177.831 177.831 178.517 -0.686 18411 16413 1 20 . 1 1 57 57 LYS CA C 57 59.905 59.905 59.183 0.722 18411 16414 1 20 . 1 1 57 57 LYS CB C 57 33.873 33.873 32.532 1.341 18411 16415 1 20 . 1 1 57 57 LYS H H 57 7.719 7.719 7.870 -0.151 18411 16416 1 20 . 1 1 58 58 ASP N N 58 114.953 114.953 117.361 -2.408 18411 16417 1 20 . 1 1 58 58 ASP HA H 58 4.843 4.843 4.803 0.040 18411 16418 1 20 . 1 1 58 58 ASP C C 58 176.515 176.515 178.778 -2.263 18411 16419 1 20 . 1 1 58 58 ASP CA C 58 56.125 56.125 56.045 0.080 18411 16420 1 20 . 1 1 58 58 ASP CB C 58 42.087 42.087 42.683 -0.596 18411 16421 1 20 . 1 1 58 58 ASP H H 58 8.783 8.783 8.484 0.299 18411 16422 1 20 . 1 1 59 59 ILE N N 59 115.807 115.807 121.461 -5.654 18411 16423 1 20 . 1 1 59 59 ILE HA H 59 4.268 4.268 4.086 0.182 18411 16424 1 20 . 1 1 59 59 ILE C C 59 176.369 176.369 177.526 -1.157 18411 16425 1 20 . 1 1 59 59 ILE CA C 59 63.757 63.757 64.849 -1.092 18411 16426 1 20 . 1 1 59 59 ILE CB C 59 40.396 40.396 38.752 1.645 18411 16427 1 20 . 1 1 59 59 ILE H H 59 7.455 7.455 8.065 -0.610 18411 16428 1 20 . 1 1 60 60 TRP N N 60 120.937 120.937 121.109 -0.172 18411 16429 1 20 . 1 1 60 60 TRP HA H 60 4.727 4.727 4.480 0.247 18411 16430 1 20 . 1 1 60 60 TRP C C 60 177.428 177.428 177.959 -0.531 18411 16431 1 20 . 1 1 60 60 TRP CA C 60 60.644 60.644 59.977 0.667 18411 16432 1 20 . 1 1 60 60 TRP CB C 60 30.907 30.907 31.183 -0.276 18411 16433 1 20 . 1 1 60 60 TRP H H 60 9.012 9.012 8.610 0.402 18411 16434 1 20 . 1 1 61 61 LEU N N 61 113.624 113.624 118.245 -4.621 18411 16435 1 20 . 1 1 61 61 LEU HA H 61 3.572 3.572 3.715 -0.143 18411 16436 1 20 . 1 1 61 61 LEU C C 61 179.473 179.473 178.388 1.085 18411 16437 1 20 . 1 1 61 61 LEU CA C 61 57.569 57.569 58.032 -0.463 18411 16438 1 20 . 1 1 61 61 LEU CB C 61 41.040 41.040 41.545 -0.506 18411 16439 1 20 . 1 1 61 61 LEU H H 61 9.210 9.210 8.642 0.568 18411 16440 1 20 . 1 1 62 62 LYS N N 62 112.991 112.991 115.039 -2.048 18411 16441 1 20 . 1 1 62 62 LYS HA H 62 3.889 3.889 3.945 -0.056 18411 16442 1 20 . 1 1 62 62 LYS C C 62 178.111 178.111 177.384 0.727 18411 16443 1 20 . 1 1 62 62 LYS CA C 62 56.667 56.667 57.533 -0.866 18411 16444 1 20 . 1 1 62 62 LYS CB C 62 31.651 31.651 32.239 -0.588 18411 16445 1 20 . 1 1 62 62 LYS H H 62 6.216 6.216 7.489 -1.273 18411 16446 1 20 . 1 1 63 63 HIS N N 63 114.656 114.656 115.290 -0.634 18411 16447 1 20 . 1 1 63 63 HIS HA H 63 4.943 4.943 4.604 0.339 18411 16448 1 20 . 1 1 63 63 HIS C C 63 177.057 177.057 174.793 2.264 18411 16449 1 20 . 1 1 63 63 HIS CA C 63 56.133 56.133 55.610 0.523 18411 16450 1 20 . 1 1 63 63 HIS CB C 63 33.235 33.235 31.395 1.840 18411 16451 1 20 . 1 1 63 63 HIS H H 63 7.067 7.067 7.528 -0.461 18411 16452 1 20 . 1 1 64 64 LYS N N 64 119.155 119.155 119.887 -0.732 18411 16453 1 20 . 1 1 64 64 LYS HA H 64 3.513 3.513 3.612 -0.099 18411 16454 1 20 . 1 1 64 64 LYS C C 64 177.074 177.074 176.409 0.665 18411 16455 1 20 . 1 1 64 64 LYS CA C 64 59.166 59.166 59.158 0.008 18411 16456 1 20 . 1 1 64 64 LYS CB C 64 28.740 28.740 31.343 -2.603 18411 16457 1 20 . 1 1 64 64 LYS H H 64 8.114 8.114 7.677 0.437 18411 16458 1 20 . 1 1 65 65 ASP N N 65 117.882 117.882 116.883 0.999 18411 16459 1 20 . 1 1 65 65 ASP HA H 65 4.714 4.714 4.429 0.285 18411 16460 1 20 . 1 1 65 65 ASP C C 65 175.195 175.195 176.934 -1.739 18411 16461 1 20 . 1 1 65 65 ASP CA C 65 54.204 54.204 55.684 -1.480 18411 16462 1 20 . 1 1 65 65 ASP CB C 65 40.564 40.564 40.872 -0.308 18411 16463 1 20 . 1 1 65 65 ASP H H 65 7.963 7.963 8.049 -0.086 18411 16464 1 20 . 1 1 66 66 ASN N N 66 122.091 122.091 116.801 5.290 18411 16465 1 20 . 1 1 66 66 ASN HA H 66 4.659 4.659 4.412 0.247 18411 16466 1 20 . 1 1 66 66 ASN C C 66 176.046 176.046 174.592 1.454 18411 16467 1 20 . 1 1 66 66 ASN CA C 66 52.799 52.799 54.248 -1.450 18411 16468 1 20 . 1 1 66 66 ASN CB C 66 39.054 39.054 38.448 0.606 18411 16469 1 20 . 1 1 66 66 ASN H H 66 8.184 8.184 8.094 0.090 18411 16470 1 20 . 1 1 67 67 ALA N N 67 128.893 128.893 121.069 7.824 18411 16471 1 20 . 1 1 67 67 ALA HA H 67 4.295 4.295 4.365 -0.070 18411 16472 1 20 . 1 1 67 67 ALA C C 67 177.886 177.886 176.172 1.714 18411 16473 1 20 . 1 1 67 67 ALA CA C 67 54.049 54.049 53.615 0.434 18411 16474 1 20 . 1 1 67 67 ALA CB C 67 18.549 18.549 20.008 -1.459 18411 16475 1 20 . 1 1 67 67 ALA H H 67 8.806 8.806 8.310 0.496 18411 16476 1 20 . 1 1 68 68 ASP N N 68 116.612 116.612 117.622 -1.010 18411 16477 1 20 . 1 1 68 68 ASP HA H 68 4.823 4.823 4.907 -0.084 18411 16478 1 20 . 1 1 68 68 ASP C C 68 173.310 173.310 174.180 -0.870 18411 16479 1 20 . 1 1 68 68 ASP CA C 68 54.202 54.202 53.990 0.212 18411 16480 1 20 . 1 1 68 68 ASP CB C 68 40.892 40.892 42.329 -1.437 18411 16481 1 20 . 1 1 68 68 ASP H H 68 8.759 8.759 8.083 0.676 18411 16482 1 20 . 1 1 69 69 PHE N N 69 119.640 119.640 122.477 -2.837 18411 16483 1 20 . 1 1 69 69 PHE HA H 69 5.741 5.741 5.032 0.709 18411 16484 1 20 . 1 1 69 69 PHE C C 69 173.860 173.860 173.626 0.234 18411 16485 1 20 . 1 1 69 69 PHE CA C 69 56.192 56.192 56.666 -0.474 18411 16486 1 20 . 1 1 69 69 PHE CB C 69 43.496 43.496 42.135 1.361 18411 16487 1 20 . 1 1 69 69 PHE H H 69 7.912 7.912 7.727 0.185 18411 16488 1 20 . 1 1 70 70 ALA N N 70 130.226 130.226 130.961 -0.735 18411 16489 1 20 . 1 1 70 70 ALA HA H 70 4.321 4.321 4.874 -0.553 18411 16490 1 20 . 1 1 70 70 ALA C C 70 171.945 171.945 174.598 -2.653 18411 16491 1 20 . 1 1 70 70 ALA CA C 70 51.573 51.573 50.237 1.336 18411 16492 1 20 . 1 1 70 70 ALA CB C 70 23.273 23.273 22.839 0.434 18411 16493 1 20 . 1 1 70 70 ALA H H 70 8.298 8.298 8.679 -0.381 18411 16494 1 20 . 1 1 71 71 LEU N N 71 122.090 122.090 123.729 -1.639 18411 16495 1 20 . 1 1 71 71 LEU HA H 71 5.120 5.120 5.172 -0.052 18411 16496 1 20 . 1 1 71 71 LEU C C 71 174.836 174.836 175.063 -0.227 18411 16497 1 20 . 1 1 71 71 LEU CA C 71 53.348 53.348 54.247 -0.899 18411 16498 1 20 . 1 1 71 71 LEU CB C 71 46.617 46.617 45.321 1.296 18411 16499 1 20 . 1 1 71 71 LEU H H 71 7.217 7.217 8.625 -1.408 18411 16500 1 20 . 1 1 72 72 ILE N N 72 123.189 123.189 124.996 -1.807 18411 16501 1 20 . 1 1 72 72 ILE HA H 72 4.336 4.336 4.683 -0.347 18411 16502 1 20 . 1 1 72 72 ILE C C 72 175.377 175.377 174.883 0.494 18411 16503 1 20 . 1 1 72 72 ILE CA C 72 60.236 60.236 59.801 0.435 18411 16504 1 20 . 1 1 72 72 ILE CB C 72 42.355 42.355 41.875 0.480 18411 16505 1 20 . 1 1 72 72 ILE H H 72 8.211 8.211 9.182 -0.971 18411 16506 1 20 . 1 1 73 73 GLY N N 73 114.189 114.189 114.556 -0.367 18411 16507 1 20 . 1 1 73 73 GLY C C 73 172.626 172.626 172.588 0.038 18411 16508 1 20 . 1 1 73 73 GLY CA C 73 44.213 44.213 43.607 0.606 18411 16509 1 20 . 1 1 73 73 GLY H H 73 9.202 9.202 8.607 0.595 18411 16510 1 20 . 1 1 74 74 ILE N N 74 126.577 126.577 125.522 1.055 18411 16511 1 20 . 1 1 74 74 ILE HA H 74 3.873 3.873 4.931 -1.058 18411 16512 1 20 . 1 1 74 74 ILE C C 74 174.792 174.792 174.332 0.460 18411 16513 1 20 . 1 1 74 74 ILE CA C 74 61.660 61.660 60.049 1.611 18411 16514 1 20 . 1 1 74 74 ILE CB C 74 37.394 37.394 40.773 -3.378 18411 16515 1 20 . 1 1 74 74 ILE H H 74 9.279 9.279 9.136 0.143 18411 16516 1 20 . 1 1 75 75 ASP N N 75 129.040 129.040 127.115 1.925 18411 16517 1 20 . 1 1 75 75 ASP HA H 75 5.213 5.213 5.406 -0.193 18411 16518 1 20 . 1 1 75 75 ASP C C 75 175.696 175.696 177.093 -1.397 18411 16519 1 20 . 1 1 75 75 ASP CA C 75 52.425 52.425 53.089 -0.664 18411 16520 1 20 . 1 1 75 75 ASP CB C 75 41.673 41.673 43.929 -2.256 18411 16521 1 20 . 1 1 75 75 ASP H H 75 8.592 8.592 8.772 -0.180 18411 16522 1 20 . 1 1 76 76 ARG N N 76 128.762 128.762 124.568 4.194 18411 16523 1 20 . 1 1 76 76 ARG HA H 76 4.346 4.346 4.063 0.283 18411 16524 1 20 . 1 1 76 76 ARG C C 76 174.562 174.562 176.161 -1.599 18411 16525 1 20 . 1 1 76 76 ARG CA C 76 58.885 58.885 58.855 0.030 18411 16526 1 20 . 1 1 76 76 ARG CB C 76 32.732 32.732 30.764 1.968 18411 16527 1 20 . 1 1 76 76 ARG H H 76 8.842 8.842 8.408 0.434 18411 16528 1 20 . 1 1 77 77 ASP N N 77 128.451 128.451 114.108 14.343 18411 16529 1 20 . 1 1 77 77 ASP HA H 77 4.473 4.473 5.121 -0.648 18411 16530 1 20 . 1 1 77 77 ASP C C 77 173.969 173.969 176.241 -2.272 18411 16531 1 20 . 1 1 77 77 ASP CA C 77 56.139 56.139 54.733 1.406 18411 16532 1 20 . 1 1 77 77 ASP CB C 77 42.541 42.541 44.151 -1.611 18411 16533 1 20 . 1 1 77 77 ASP H H 77 8.256 8.256 8.718 -0.462 18411 16534 1 20 . 1 1 78 78 GLU N N 78 114.796 114.796 122.135 -7.339 18411 16535 1 20 . 1 1 78 78 GLU HA H 78 5.060 5.060 4.479 0.581 18411 16536 1 20 . 1 1 78 78 GLU C C 78 174.225 174.225 174.533 -0.308 18411 16537 1 20 . 1 1 78 78 GLU CA C 78 54.220 54.220 55.449 -1.229 18411 16538 1 20 . 1 1 78 78 GLU CB C 78 32.842 32.842 29.687 3.155 18411 16539 1 20 . 1 1 78 78 GLU H H 78 8.010 8.010 8.682 -0.672 18411 16540 1 20 . 1 1 79 79 PRO HA H 79 4.579 4.579 4.478 0.101 18411 16541 1 20 . 1 1 79 79 PRO C C 79 177.508 177.508 177.674 -0.166 18411 16542 1 20 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.381 -0.314 18411 16543 1 20 . 1 1 79 79 PRO CB C 79 33.096 33.096 32.607 0.489 18411 16544 1 20 . 1 1 80 80 LEU N N 80 122.209 122.209 120.821 1.388 18411 16545 1 20 . 1 1 80 80 LEU HA H 80 3.927 3.927 3.924 0.003 18411 16546 1 20 . 1 1 80 80 LEU C C 80 177.847 177.847 178.769 -0.922 18411 16547 1 20 . 1 1 80 80 LEU CA C 80 59.188 59.188 59.684 -0.496 18411 16548 1 20 . 1 1 80 80 LEU CB C 80 42.001 42.001 40.945 1.056 18411 16549 1 20 . 1 1 80 80 LEU H H 80 8.943 8.943 8.449 0.494 18411 16550 1 20 . 1 1 81 81 GLU N N 81 115.361 115.361 118.590 -3.229 18411 16551 1 20 . 1 1 81 81 GLU HA H 81 3.999 3.999 4.103 -0.104 18411 16552 1 20 . 1 1 81 81 GLU C C 81 180.044 180.044 178.679 1.365 18411 16553 1 20 . 1 1 81 81 GLU CA C 81 60.552 60.552 59.303 1.250 18411 16554 1 20 . 1 1 81 81 GLU CB C 81 28.723 28.723 28.141 0.582 18411 16555 1 20 . 1 1 81 81 GLU H H 81 9.534 9.534 8.774 0.760 18411 16556 1 20 . 1 1 82 82 LYS N N 82 118.582 118.582 118.984 -0.402 18411 16557 1 20 . 1 1 82 82 LYS HA H 82 4.183 4.183 4.131 0.052 18411 16558 1 20 . 1 1 82 82 LYS C C 82 179.226 179.226 178.972 0.254 18411 16559 1 20 . 1 1 82 82 LYS CA C 82 58.248 58.248 59.191 -0.942 18411 16560 1 20 . 1 1 82 82 LYS CB C 82 32.912 32.912 31.905 1.007 18411 16561 1 20 . 1 1 82 82 LYS H H 82 7.332 7.332 8.058 -0.726 18411 16562 1 20 . 1 1 83 83 VAL N N 83 122.971 122.971 120.983 1.988 18411 16563 1 20 . 1 1 83 83 VAL HA H 83 3.554 3.554 3.784 -0.230 18411 16564 1 20 . 1 1 83 83 VAL C C 83 178.331 178.331 178.334 -0.003 18411 16565 1 20 . 1 1 83 83 VAL CA C 83 67.063 67.063 66.742 0.321 18411 16566 1 20 . 1 1 83 83 VAL CB C 83 31.497 31.497 31.547 -0.050 18411 16567 1 20 . 1 1 83 83 VAL H H 83 7.743 7.743 8.224 -0.481 18411 16568 1 20 . 1 1 84 84 LEU N N 84 119.209 119.209 120.493 -1.284 18411 16569 1 20 . 1 1 84 84 LEU HA H 84 4.030 4.030 3.984 0.046 18411 16570 1 20 . 1 1 84 84 LEU C C 84 180.647 180.647 179.131 1.516 18411 16571 1 20 . 1 1 84 84 LEU CA C 84 57.975 57.975 57.989 -0.014 18411 16572 1 20 . 1 1 84 84 LEU CB C 84 42.010 42.010 40.242 1.768 18411 16573 1 20 . 1 1 84 84 LEU H H 84 8.706 8.706 8.820 -0.114 18411 16574 1 20 . 1 1 85 85 ALA N N 85 120.801 120.801 122.183 -1.382 18411 16575 1 20 . 1 1 85 85 ALA HA H 85 4.198 4.198 4.036 0.162 18411 16576 1 20 . 1 1 85 85 ALA C C 85 180.253 180.253 179.336 0.917 18411 16577 1 20 . 1 1 85 85 ALA CA C 85 54.947 54.947 55.121 -0.174 18411 16578 1 20 . 1 1 85 85 ALA CB C 85 17.973 17.973 18.325 -0.352 18411 16579 1 20 . 1 1 85 85 ALA H H 85 7.440 7.440 8.154 -0.714 18411 16580 1 20 . 1 1 86 86 PHE N N 86 123.035 123.035 120.429 2.606 18411 16581 1 20 . 1 1 86 86 PHE HA H 86 4.905 4.905 4.073 0.832 18411 16582 1 20 . 1 1 86 86 PHE C C 86 179.015 179.015 177.926 1.089 18411 16583 1 20 . 1 1 86 86 PHE CA C 86 56.648 56.648 61.283 -4.635 18411 16584 1 20 . 1 1 86 86 PHE CB C 86 39.249 39.249 39.065 0.184 18411 16585 1 20 . 1 1 86 86 PHE H H 86 8.040 8.040 8.057 -0.017 18411 16586 1 20 . 1 1 87 87 ALA N N 87 123.932 123.932 122.253 1.679 18411 16587 1 20 . 1 1 87 87 ALA HA H 87 3.480 3.480 3.804 -0.324 18411 16588 1 20 . 1 1 87 87 ALA C C 87 179.800 179.800 179.485 0.315 18411 16589 1 20 . 1 1 87 87 ALA CA C 87 55.183 55.183 54.767 0.416 18411 16590 1 20 . 1 1 87 87 ALA CB C 87 17.602 17.602 18.214 -0.612 18411 16591 1 20 . 1 1 87 87 ALA H H 87 8.453 8.453 8.716 -0.263 18411 16592 1 20 . 1 1 88 88 LYS N N 88 116.535 116.535 117.995 -1.460 18411 16593 1 20 . 1 1 88 88 LYS HA H 88 4.030 4.030 3.964 0.066 18411 16594 1 20 . 1 1 88 88 LYS C C 88 179.562 179.562 178.433 1.129 18411 16595 1 20 . 1 1 88 88 LYS CA C 88 59.063 59.063 59.050 0.013 18411 16596 1 20 . 1 1 88 88 LYS CB C 88 32.466 32.466 32.192 0.274 18411 16597 1 20 . 1 1 88 88 LYS H H 88 7.664 7.664 8.254 -0.590 18411 16598 1 20 . 1 1 89 89 SER N N 89 113.619 113.619 112.405 1.214 18411 16599 1 20 . 1 1 89 89 SER HA H 89 4.271 4.271 4.405 -0.134 18411 16600 1 20 . 1 1 89 89 SER C C 89 177.004 177.004 174.501 2.503 18411 16601 1 20 . 1 1 89 89 SER CA C 89 61.139 61.139 59.520 1.619 18411 16602 1 20 . 1 1 89 89 SER CB C 89 63.327 63.327 63.606 -0.279 18411 16603 1 20 . 1 1 89 89 SER H H 89 8.417 8.417 7.657 0.760 18411 16604 1 20 . 1 1 90 90 THR N N 90 109.601 109.601 109.679 -0.078 18411 16605 1 20 . 1 1 90 90 THR HA H 90 4.287 4.287 4.438 -0.151 18411 16606 1 20 . 1 1 90 90 THR C C 90 176.074 176.074 174.871 1.203 18411 16607 1 20 . 1 1 90 90 THR CA C 90 62.926 62.926 60.841 2.085 18411 16608 1 20 . 1 1 90 90 THR CB C 90 70.563 70.563 70.419 0.144 18411 16609 1 20 . 1 1 90 90 THR H H 90 7.710 7.710 7.633 0.077 18411 16610 1 20 . 1 1 91 91 GLY N N 91 110.243 110.243 111.654 -1.411 18411 16611 1 20 . 1 1 91 91 GLY C C 91 174.815 174.815 173.841 0.974 18411 16612 1 20 . 1 1 91 91 GLY CA C 91 46.042 46.042 45.377 0.665 18411 16613 1 20 . 1 1 91 91 GLY H H 91 7.609 7.609 7.611 -0.002 18411 16614 1 20 . 1 1 92 92 VAL N N 92 112.099 112.099 122.428 -10.329 18411 16615 1 20 . 1 1 92 92 VAL HA H 92 4.309 4.309 3.507 0.802 18411 16616 1 20 . 1 1 92 92 VAL C C 92 178.372 178.372 176.512 1.860 18411 16617 1 20 . 1 1 92 92 VAL CA C 92 60.696 60.696 63.071 -2.375 18411 16618 1 20 . 1 1 92 92 VAL CB C 92 32.337 32.337 29.657 2.680 18411 16619 1 20 . 1 1 92 92 VAL H H 92 7.046 7.046 7.767 -0.721 18411 16620 1 20 . 1 1 93 93 THR N N 93 114.289 114.289 115.329 -1.040 18411 16621 1 20 . 1 1 93 93 THR HA H 93 4.457 4.457 4.286 0.171 18411 16622 1 20 . 1 1 93 93 THR C C 93 175.115 175.115 174.841 0.274 18411 16623 1 20 . 1 1 93 93 THR CA C 93 61.280 61.280 61.990 -0.710 18411 16624 1 20 . 1 1 93 93 THR CB C 93 70.314 70.314 70.274 0.040 18411 16625 1 20 . 1 1 93 93 THR H H 93 10.844 10.844 8.636 2.208 18411 16626 1 20 . 1 1 94 94 TYR N N 94 122.050 122.050 121.322 0.728 18411 16627 1 20 . 1 1 94 94 TYR HA H 94 3.740 3.740 4.286 -0.546 18411 16628 1 20 . 1 1 94 94 TYR C C 94 171.563 171.563 173.402 -1.839 18411 16629 1 20 . 1 1 94 94 TYR CA C 94 53.080 53.080 52.979 0.101 18411 16630 1 20 . 1 1 94 94 TYR CB C 94 34.195 34.195 36.380 -2.185 18411 16631 1 20 . 1 1 94 94 TYR H H 94 6.391 6.391 6.817 -0.426 18411 16632 1 20 . 1 1 95 95 PRO HA H 95 4.105 4.105 4.311 -0.206 18411 16633 1 20 . 1 1 95 95 PRO C C 95 175.152 175.152 175.607 -0.455 18411 16634 1 20 . 1 1 95 95 PRO CA C 95 63.799 63.799 62.849 0.950 18411 16635 1 20 . 1 1 95 95 PRO CB C 95 32.919 32.919 32.280 0.639 18411 16636 1 20 . 1 1 96 96 LEU N N 96 122.325 122.325 122.941 -0.616 18411 16637 1 20 . 1 1 96 96 LEU HA H 96 5.143 5.143 5.249 -0.106 18411 16638 1 20 . 1 1 96 96 LEU C C 96 176.072 176.072 176.492 -0.420 18411 16639 1 20 . 1 1 96 96 LEU CA C 96 52.794 52.794 53.424 -0.630 18411 16640 1 20 . 1 1 96 96 LEU CB C 96 45.567 45.567 45.250 0.317 18411 16641 1 20 . 1 1 96 96 LEU H H 96 8.256 8.256 8.374 -0.118 18411 16642 1 20 . 1 1 97 97 GLY N N 97 107.295 107.295 107.858 -0.563 18411 16643 1 20 . 1 1 97 97 GLY C C 97 171.546 171.546 172.329 -0.783 18411 16644 1 20 . 1 1 97 97 GLY CA C 97 44.069 44.069 43.579 0.490 18411 16645 1 20 . 1 1 97 97 GLY H H 97 9.177 9.177 9.154 0.023 18411 16646 1 20 . 1 1 98 98 LEU N N 98 118.550 118.550 118.641 -0.091 18411 16647 1 20 . 1 1 98 98 LEU HA H 98 4.872 4.872 4.839 0.033 18411 16648 1 20 . 1 1 98 98 LEU C C 98 176.132 176.132 174.540 1.592 18411 16649 1 20 . 1 1 98 98 LEU CA C 98 54.460 54.460 53.756 0.704 18411 16650 1 20 . 1 1 98 98 LEU CB C 98 43.567 43.567 43.634 -0.067 18411 16651 1 20 . 1 1 98 98 LEU H H 98 8.106 8.106 8.379 -0.273 18411 16652 1 20 . 1 1 99 99 ASP N N 99 118.061 118.061 123.683 -5.622 18411 16653 1 20 . 1 1 99 99 ASP HA H 99 5.403 5.403 5.045 0.358 18411 16654 1 20 . 1 1 99 99 ASP C C 99 175.069 175.069 174.290 0.779 18411 16655 1 20 . 1 1 99 99 ASP CA C 99 51.057 51.057 50.341 0.716 18411 16656 1 20 . 1 1 99 99 ASP CB C 99 42.069 42.069 42.298 -0.230 18411 16657 1 20 . 1 1 99 99 ASP H H 99 8.481 8.481 8.318 0.163 18411 16658 1 20 . 1 1 100 100 PRO HA H 100 4.564 4.564 4.640 -0.076 18411 16659 1 20 . 1 1 100 100 PRO C C 100 179.600 179.600 177.376 2.224 18411 16660 1 20 . 1 1 100 100 PRO CA C 100 64.020 64.020 63.084 0.936 18411 16661 1 20 . 1 1 100 100 PRO CB C 100 31.455 31.455 30.553 0.902 18411 16662 1 20 . 1 1 101 101 GLY N N 101 114.780 114.780 112.824 1.956 18411 16663 1 20 . 1 1 101 101 GLY C C 101 173.600 173.600 174.242 -0.642 18411 16664 1 20 . 1 1 101 101 GLY CA C 101 46.175 46.175 44.940 1.235 18411 16665 1 20 . 1 1 101 101 GLY H H 101 9.045 9.045 8.533 0.512 18411 16666 1 20 . 1 1 102 102 ALA N N 102 117.089 117.089 120.905 -3.816 18411 16667 1 20 . 1 1 102 102 ALA HA H 102 4.376 4.376 4.169 0.207 18411 16668 1 20 . 1 1 102 102 ALA C C 102 175.955 175.955 177.085 -1.130 18411 16669 1 20 . 1 1 102 102 ALA CA C 102 52.693 52.693 52.850 -0.157 18411 16670 1 20 . 1 1 102 102 ALA CB C 102 18.256 18.256 17.353 0.903 18411 16671 1 20 . 1 1 102 102 ALA H H 102 8.257 8.257 8.008 0.249 18411 16672 1 20 . 1 1 103 103 ASP N N 103 118.691 118.691 118.694 -0.003 18411 16673 1 20 . 1 1 103 103 ASP HA H 103 4.444 4.444 4.484 -0.040 18411 16674 1 20 . 1 1 103 103 ASP C C 103 179.021 179.021 177.858 1.163 18411 16675 1 20 . 1 1 103 103 ASP CA C 103 57.935 57.935 56.983 0.952 18411 16676 1 20 . 1 1 103 103 ASP CB C 103 41.368 41.368 41.449 -0.081 18411 16677 1 20 . 1 1 103 103 ASP H H 103 6.739 6.739 8.340 -1.601 18411 16678 1 20 . 1 1 104 104 ILE N N 104 126.075 126.075 119.336 6.739 18411 16679 1 20 . 1 1 104 104 ILE HA H 104 3.682 3.682 3.922 -0.240 18411 16680 1 20 . 1 1 104 104 ILE C C 104 179.321 179.321 177.477 1.844 18411 16681 1 20 . 1 1 104 104 ILE CA C 104 66.522 66.522 62.605 3.917 18411 16682 1 20 . 1 1 104 104 ILE CB C 104 36.754 36.754 37.082 -0.328 18411 16683 1 20 . 1 1 104 104 ILE H H 104 11.476 11.476 8.420 3.056 18411 16684 1 20 . 1 1 105 105 PHE N N 105 124.513 124.513 119.554 4.959 18411 16685 1 20 . 1 1 105 105 PHE HA H 105 3.646 3.646 4.166 -0.520 18411 16686 1 20 . 1 1 105 105 PHE C C 105 177.818 177.818 176.456 1.362 18411 16687 1 20 . 1 1 105 105 PHE CA C 105 62.948 62.948 61.152 1.796 18411 16688 1 20 . 1 1 105 105 PHE CB C 105 38.350 38.350 39.697 -1.347 18411 16689 1 20 . 1 1 105 105 PHE H H 105 9.473 9.473 9.118 0.355 18411 16690 1 20 . 1 1 106 106 ALA N N 106 115.835 115.835 120.643 -4.808 18411 16691 1 20 . 1 1 106 106 ALA HA H 106 4.927 4.927 4.742 0.185 18411 16692 1 20 . 1 1 106 106 ALA C C 106 179.271 179.271 178.556 0.715 18411 16693 1 20 . 1 1 106 106 ALA CA C 106 52.672 52.672 53.851 -1.179 18411 16694 1 20 . 1 1 106 106 ALA CB C 106 19.093 19.093 18.587 0.506 18411 16695 1 20 . 1 1 106 106 ALA H H 106 8.418 8.418 7.592 0.826 18411 16696 1 20 . 1 1 107 107 LYS N N 107 116.823 116.823 116.396 0.427 18411 16697 1 20 . 1 1 107 107 LYS HA H 107 4.145 4.145 4.059 0.086 18411 16698 1 20 . 1 1 107 107 LYS C C 107 176.006 176.006 176.393 -0.387 18411 16699 1 20 . 1 1 107 107 LYS CA C 107 57.980 57.980 57.925 0.055 18411 16700 1 20 . 1 1 107 107 LYS CB C 107 33.041 33.041 32.328 0.713 18411 16701 1 20 . 1 1 107 107 LYS H H 107 8.106 8.106 7.643 0.463 18411 16702 1 20 . 1 1 108 108 TYR N N 108 114.793 114.793 115.044 -0.251 18411 16703 1 20 . 1 1 108 108 TYR HA H 108 4.311 4.311 4.517 -0.206 18411 16704 1 20 . 1 1 108 108 TYR C C 108 176.010 176.010 174.360 1.650 18411 16705 1 20 . 1 1 108 108 TYR CA C 108 59.270 59.270 58.887 0.383 18411 16706 1 20 . 1 1 108 108 TYR CB C 108 40.965 40.965 41.572 -0.607 18411 16707 1 20 . 1 1 108 108 TYR H H 108 7.811 7.811 7.377 0.434 18411 16708 1 20 . 1 1 109 109 ALA N N 109 125.709 125.709 120.012 5.697 18411 16709 1 20 . 1 1 109 109 ALA HA H 109 4.760 4.760 4.792 -0.032 18411 16710 1 20 . 1 1 109 109 ALA C C 109 174.711 174.711 175.590 -0.879 18411 16711 1 20 . 1 1 109 109 ALA CA C 109 50.276 50.276 49.779 0.497 18411 16712 1 20 . 1 1 109 109 ALA CB C 109 21.924 21.924 21.027 0.897 18411 16713 1 20 . 1 1 109 109 ALA H H 109 8.595 8.595 8.393 0.202 18411 16714 1 20 . 1 1 110 110 LEU N N 110 117.834 117.834 120.379 -2.545 18411 16715 1 20 . 1 1 110 110 LEU HA H 110 4.137 4.137 4.312 -0.175 18411 16716 1 20 . 1 1 110 110 LEU C C 110 179.153 179.153 177.601 1.552 18411 16717 1 20 . 1 1 110 110 LEU CA C 110 55.164 55.164 55.610 -0.446 18411 16718 1 20 . 1 1 110 110 LEU CB C 110 42.292 42.292 41.800 0.492 18411 16719 1 20 . 1 1 110 110 LEU H H 110 7.814 7.814 8.327 -0.513 18411 16720 1 20 . 1 1 111 111 ARG N N 111 119.787 119.787 117.060 2.727 18411 16721 1 20 . 1 1 111 111 ARG HA H 111 3.916 3.916 4.058 -0.142 18411 16722 1 20 . 1 1 111 111 ARG C C 111 176.962 176.962 177.324 -0.362 18411 16723 1 20 . 1 1 111 111 ARG CA C 111 60.538 60.538 59.418 1.120 18411 16724 1 20 . 1 1 111 111 ARG CB C 111 30.424 30.424 28.009 2.415 18411 16725 1 20 . 1 1 111 111 ARG H H 111 8.655 8.655 8.672 -0.017 18411 16726 1 20 . 1 1 112 112 ASP N N 112 113.338 113.338 121.341 -8.003 18411 16727 1 20 . 1 1 112 112 ASP HA H 112 4.662 4.662 4.564 0.098 18411 16728 1 20 . 1 1 112 112 ASP C C 112 176.387 176.387 176.934 -0.547 18411 16729 1 20 . 1 1 112 112 ASP CA C 112 52.833 52.833 55.421 -2.588 18411 16730 1 20 . 1 1 112 112 ASP CB C 112 40.135 40.135 40.627 -0.492 18411 16731 1 20 . 1 1 112 112 ASP H H 112 8.205 8.205 8.426 -0.221 18411 16732 1 20 . 1 1 113 113 ALA N N 113 122.885 122.885 122.786 0.099 18411 16733 1 20 . 1 1 113 113 ALA HA H 113 4.347 4.347 4.447 -0.100 18411 16734 1 20 . 1 1 113 113 ALA C C 113 177.740 177.740 177.139 0.601 18411 16735 1 20 . 1 1 113 113 ALA CA C 113 51.983 51.983 51.565 0.418 18411 16736 1 20 . 1 1 113 113 ALA CB C 113 20.558 20.558 17.638 2.920 18411 16737 1 20 . 1 1 113 113 ALA H H 113 7.919 7.919 8.080 -0.161 18411 16738 1 20 . 1 1 114 114 GLY CA C 114 45.480 45.480 44.248 1.232 18411 16739 1 20 . 1 1 115 115 ILE N N 115 122.165 122.165 122.049 0.116 18411 16740 1 20 . 1 1 115 115 ILE HA H 115 4.119 4.119 4.519 -0.400 18411 16741 1 20 . 1 1 115 115 ILE CA C 115 60.788 60.788 60.281 0.507 18411 16742 1 20 . 1 1 115 115 ILE CB C 115 39.651 39.651 39.642 0.009 18411 16743 1 20 . 1 1 115 115 ILE H H 115 8.253 8.253 8.448 -0.195 18411 16744 1 20 . 1 1 116 116 THR N N 116 110.198 110.198 117.182 -6.984 18411 16745 1 20 . 1 1 116 116 THR HA H 116 4.101 4.101 4.287 -0.186 18411 16746 1 20 . 1 1 116 116 THR CA C 116 62.947 62.947 63.015 -0.068 18411 16747 1 20 . 1 1 116 116 THR CB C 116 69.031 69.031 68.417 0.614 18411 16748 1 20 . 1 1 116 116 THR H H 116 7.033 7.033 8.677 -1.644 18411 16749 1 20 . 1 1 117 117 ARG N N 117 130.624 130.624 123.204 7.420 18411 16750 1 20 . 1 1 117 117 ARG HA H 117 4.997 4.997 4.998 -0.001 18411 16751 1 20 . 1 1 117 117 ARG C C 117 173.296 173.296 174.404 -1.108 18411 16752 1 20 . 1 1 117 117 ARG CA C 117 56.468 56.468 53.810 2.658 18411 16753 1 20 . 1 1 117 117 ARG CB C 117 31.949 31.949 34.025 -2.076 18411 16754 1 20 . 1 1 117 117 ARG H H 117 8.250 8.250 8.826 -0.576 18411 16755 1 20 . 1 1 118 118 ASN N N 118 118.226 118.226 122.591 -4.365 18411 16756 1 20 . 1 1 118 118 ASN HA H 118 6.127 6.127 5.340 0.787 18411 16757 1 20 . 1 1 118 118 ASN C C 118 173.805 173.805 173.873 -0.068 18411 16758 1 20 . 1 1 118 118 ASN CA C 118 51.759 51.759 53.117 -1.358 18411 16759 1 20 . 1 1 118 118 ASN CB C 118 41.892 41.892 40.736 1.156 18411 16760 1 20 . 1 1 118 118 ASN H H 118 7.730 7.730 9.451 -1.721 18411 16761 1 20 . 1 1 119 119 VAL N N 119 120.477 120.477 122.622 -2.145 18411 16762 1 20 . 1 1 119 119 VAL HA H 119 4.766 4.766 5.335 -0.569 18411 16763 1 20 . 1 1 119 119 VAL C C 119 173.809 173.809 173.880 -0.071 18411 16764 1 20 . 1 1 119 119 VAL CA C 119 60.808 60.808 60.547 0.261 18411 16765 1 20 . 1 1 119 119 VAL CB C 119 35.887 35.887 35.720 0.167 18411 16766 1 20 . 1 1 119 119 VAL H H 119 9.269 9.269 9.313 -0.044 18411 16767 1 20 . 1 1 120 120 LEU N N 120 128.017 128.017 128.454 -0.437 18411 16768 1 20 . 1 1 120 120 LEU HA H 120 5.350 5.350 4.822 0.528 18411 16769 1 20 . 1 1 120 120 LEU C C 120 174.606 174.606 174.492 0.114 18411 16770 1 20 . 1 1 120 120 LEU CA C 120 53.563 53.563 53.648 -0.085 18411 16771 1 20 . 1 1 120 120 LEU CB C 120 46.211 46.211 45.492 0.719 18411 16772 1 20 . 1 1 120 120 LEU H H 120 8.829 8.829 9.158 -0.329 18411 16773 1 20 . 1 1 121 121 ILE N N 121 131.629 131.629 127.631 3.998 18411 16774 1 20 . 1 1 121 121 ILE HA H 121 4.799 4.799 4.788 0.011 18411 16775 1 20 . 1 1 121 121 ILE C C 121 174.731 174.731 175.840 -1.109 18411 16776 1 20 . 1 1 121 121 ILE CA C 121 60.450 60.450 58.335 2.115 18411 16777 1 20 . 1 1 121 121 ILE CB C 121 41.651 41.651 37.007 4.644 18411 16778 1 20 . 1 1 121 121 ILE H H 121 9.659 9.659 9.198 0.461 18411 16779 1 20 . 1 1 122 122 ASP N N 122 124.197 124.197 127.971 -3.774 18411 16780 1 20 . 1 1 122 122 ASP HA H 122 4.513 4.513 4.729 -0.216 18411 16781 1 20 . 1 1 122 122 ASP C C 122 177.586 177.586 177.525 0.061 18411 16782 1 20 . 1 1 122 122 ASP CA C 122 52.442 52.442 53.983 -1.541 18411 16783 1 20 . 1 1 122 122 ASP CB C 122 41.476 41.476 42.942 -1.466 18411 16784 1 20 . 1 1 122 122 ASP H H 122 9.128 9.128 9.088 0.040 18411 16785 1 20 . 1 1 123 123 ARG N N 123 113.396 113.396 122.537 -9.141 18411 16786 1 20 . 1 1 123 123 ARG HA H 123 4.186 4.186 4.311 -0.125 18411 16787 1 20 . 1 1 123 123 ARG C C 123 178.717 178.717 177.393 1.324 18411 16788 1 20 . 1 1 123 123 ARG CA C 123 58.243 58.243 59.047 -0.804 18411 16789 1 20 . 1 1 123 123 ARG CB C 123 30.783 30.783 29.968 0.815 18411 16790 1 20 . 1 1 123 123 ARG H H 123 7.870 7.870 8.856 -0.986 18411 16791 1 20 . 1 1 124 124 GLU N N 124 117.427 117.427 118.702 -1.275 18411 16792 1 20 . 1 1 124 124 GLU HA H 124 4.310 4.310 4.155 0.155 18411 16793 1 20 . 1 1 124 124 GLU C C 124 176.034 176.034 176.595 -0.561 18411 16794 1 20 . 1 1 124 124 GLU CA C 124 56.164 56.164 56.725 -0.561 18411 16795 1 20 . 1 1 124 124 GLU CB C 124 30.541 30.541 29.407 1.134 18411 16796 1 20 . 1 1 124 124 GLU H H 124 8.155 8.155 8.553 -0.398 18411 16797 1 20 . 1 1 125 125 GLY N N 125 105.681 105.681 107.456 -1.775 18411 16798 1 20 . 1 1 125 125 GLY C C 125 174.204 174.204 173.397 0.807 18411 16799 1 20 . 1 1 125 125 GLY CA C 125 45.160 45.160 45.315 -0.155 18411 16800 1 20 . 1 1 125 125 GLY H H 125 8.094 8.094 8.071 0.023 18411 16801 1 20 . 1 1 126 126 LYS N N 126 122.326 122.326 119.053 3.273 18411 16802 1 20 . 1 1 126 126 LYS HA H 126 4.647 4.647 5.307 -0.660 18411 16803 1 20 . 1 1 126 126 LYS C C 126 176.390 176.390 175.464 0.926 18411 16804 1 20 . 1 1 126 126 LYS CA C 126 55.393 55.393 54.122 1.271 18411 16805 1 20 . 1 1 126 126 LYS CB C 126 33.569 33.569 36.121 -2.552 18411 16806 1 20 . 1 1 126 126 LYS H H 126 8.502 8.502 7.305 1.197 18411 16807 1 20 . 1 1 127 127 ILE N N 127 121.946 121.946 122.888 -0.942 18411 16808 1 20 . 1 1 127 127 ILE HA H 127 4.048 4.048 4.464 -0.416 18411 16809 1 20 . 1 1 127 127 ILE C C 127 177.735 177.735 176.786 0.949 18411 16810 1 20 . 1 1 127 127 ILE CA C 127 63.200 63.200 62.161 1.039 18411 16811 1 20 . 1 1 127 127 ILE CB C 127 38.106 38.106 37.549 0.557 18411 16812 1 20 . 1 1 127 127 ILE H H 127 8.739 8.739 8.769 -0.030 18411 16813 1 20 . 1 1 128 128 VAL N N 128 122.026 122.026 123.094 -1.068 18411 16814 1 20 . 1 1 128 128 VAL HA H 128 4.695 4.695 4.284 0.411 18411 16815 1 20 . 1 1 128 128 VAL C C 128 175.968 175.968 175.404 0.564 18411 16816 1 20 . 1 1 128 128 VAL CA C 128 61.535 61.535 61.780 -0.245 18411 16817 1 20 . 1 1 128 128 VAL CB C 128 33.996 33.996 32.681 1.315 18411 16818 1 20 . 1 1 128 128 VAL H H 128 9.397 9.397 8.301 1.096 18411 16819 1 20 . 1 1 129 129 LYS N N 129 121.635 121.635 120.848 0.787 18411 16820 1 20 . 1 1 129 129 LYS HA H 129 4.359 4.359 4.519 -0.160 18411 16821 1 20 . 1 1 129 129 LYS C C 129 172.896 172.896 173.991 -1.095 18411 16822 1 20 . 1 1 129 129 LYS CA C 129 57.322 57.322 55.974 1.348 18411 16823 1 20 . 1 1 129 129 LYS CB C 129 36.802 36.802 34.364 2.438 18411 16824 1 20 . 1 1 129 129 LYS H H 129 7.708 7.708 7.333 0.375 18411 16825 1 20 . 1 1 130 130 LEU N N 130 126.219 126.219 123.960 2.259 18411 16826 1 20 . 1 1 130 130 LEU HA H 130 5.140 5.140 5.686 -0.546 18411 16827 1 20 . 1 1 130 130 LEU C C 130 176.956 176.956 175.321 1.635 18411 16828 1 20 . 1 1 130 130 LEU CA C 130 53.572 53.572 53.785 -0.213 18411 16829 1 20 . 1 1 130 130 LEU CB C 130 44.700 44.700 43.462 1.238 18411 16830 1 20 . 1 1 130 130 LEU H H 130 8.301 8.301 8.396 -0.095 18411 16831 1 20 . 1 1 131 131 THR N N 131 113.484 113.484 117.177 -3.693 18411 16832 1 20 . 1 1 131 131 THR HA H 131 5.136 5.136 4.811 0.325 18411 16833 1 20 . 1 1 131 131 THR C C 131 175.492 175.492 172.981 2.511 18411 16834 1 20 . 1 1 131 131 THR CA C 131 61.033 61.033 59.384 1.649 18411 16835 1 20 . 1 1 131 131 THR CB C 131 70.922 70.922 71.598 -0.676 18411 16836 1 20 . 1 1 131 131 THR H H 131 9.298 9.298 9.030 0.268 18411 16837 1 20 . 1 1 132 132 ARG HA H 132 5.150 5.150 4.832 0.318 18411 16838 1 20 . 1 1 132 132 ARG CA C 132 55.585 55.585 55.494 0.091 18411 16839 1 20 . 1 1 132 132 ARG CB C 132 33.035 33.035 31.568 1.467 18411 16840 1 20 . 1 1 133 133 LEU N N 133 118.967 118.967 118.287 0.680 18411 16841 1 20 . 1 1 133 133 LEU HA H 133 4.302 4.302 4.126 0.176 18411 16842 1 20 . 1 1 133 133 LEU CA C 133 56.200 56.200 55.484 0.716 18411 16843 1 20 . 1 1 133 133 LEU CB C 133 41.616 41.616 41.048 0.568 18411 16844 1 20 . 1 1 133 133 LEU H H 133 8.167 8.167 8.549 -0.382 18411 16845 1 20 . 1 1 134 134 TYR N N 134 124.816 124.816 123.830 0.986 18411 16846 1 20 . 1 1 134 134 TYR HA H 134 4.963 4.963 4.296 0.667 18411 16847 1 20 . 1 1 134 134 TYR CA C 134 57.154 57.154 58.972 -1.818 18411 16848 1 20 . 1 1 134 134 TYR CB C 134 38.948 38.948 38.432 0.516 18411 16849 1 20 . 1 1 134 134 TYR H H 134 7.805 7.805 8.255 -0.450 18411 16850 1 20 . 1 1 135 135 ASN HA H 135 4.415 4.415 4.575 -0.160 18411 16851 1 20 . 1 1 135 135 ASN CA C 135 51.995 51.995 52.032 -0.037 18411 16852 1 20 . 1 1 135 135 ASN CB C 135 40.521 40.521 40.400 0.121 18411 16853 1 20 . 1 1 136 136 GLU HA H 136 3.694 3.694 3.887 -0.193 18411 16854 1 20 . 1 1 136 136 GLU C C 136 178.797 178.797 177.883 0.914 18411 16855 1 20 . 1 1 136 136 GLU CA C 136 61.052 61.052 59.440 1.612 18411 16856 1 20 . 1 1 136 136 GLU CB C 136 29.353 29.353 29.362 -0.009 18411 16857 1 20 . 1 1 137 137 GLU N N 137 120.717 120.717 120.286 0.431 18411 16858 1 20 . 1 1 137 137 GLU HA H 137 4.176 4.176 4.094 0.082 18411 16859 1 20 . 1 1 137 137 GLU C C 137 179.707 179.707 178.912 0.795 18411 16860 1 20 . 1 1 137 137 GLU CA C 137 59.800 59.800 59.050 0.750 18411 16861 1 20 . 1 1 137 137 GLU CB C 137 29.284 29.284 28.611 0.673 18411 16862 1 20 . 1 1 137 137 GLU H H 137 8.364 8.364 8.430 -0.066 18411 16863 1 20 . 1 1 138 138 GLU N N 138 122.448 122.448 119.088 3.360 18411 16864 1 20 . 1 1 138 138 GLU HA H 138 4.190 4.190 4.072 0.117 18411 16865 1 20 . 1 1 138 138 GLU C C 138 179.927 179.927 178.480 1.447 18411 16866 1 20 . 1 1 138 138 GLU CA C 138 59.129 59.129 59.426 -0.297 18411 16867 1 20 . 1 1 138 138 GLU CB C 138 30.064 30.064 29.064 1.000 18411 16868 1 20 . 1 1 138 138 GLU H H 138 8.448 8.448 8.014 0.434 18411 16869 1 20 . 1 1 139 139 PHE N N 139 122.454 122.454 119.658 2.796 18411 16870 1 20 . 1 1 139 139 PHE HA H 139 4.171 4.171 4.331 -0.160 18411 16871 1 20 . 1 1 139 139 PHE C C 139 177.370 177.370 176.524 0.846 18411 16872 1 20 . 1 1 139 139 PHE CA C 139 62.690 62.690 60.929 1.761 18411 16873 1 20 . 1 1 139 139 PHE CB C 139 39.579 39.579 38.896 0.683 18411 16874 1 20 . 1 1 139 139 PHE H H 139 8.895 8.895 7.919 0.976 18411 16875 1 20 . 1 1 140 140 ALA N N 140 120.155 120.155 121.746 -1.591 18411 16876 1 20 . 1 1 140 140 ALA HA H 140 4.100 4.100 3.866 0.234 18411 16877 1 20 . 1 1 140 140 ALA C C 140 181.270 181.270 179.477 1.793 18411 16878 1 20 . 1 1 140 140 ALA CA C 140 55.203 55.203 55.354 -0.151 18411 16879 1 20 . 1 1 140 140 ALA CB C 140 17.716 17.716 17.881 -0.165 18411 16880 1 20 . 1 1 140 140 ALA H H 140 8.240 8.240 8.385 -0.145 18411 16881 1 20 . 1 1 141 141 SER N N 141 114.095 114.095 115.243 -1.148 18411 16882 1 20 . 1 1 141 141 SER HA H 141 4.267 4.267 4.157 0.110 18411 16883 1 20 . 1 1 141 141 SER C C 141 176.895 176.895 176.532 0.363 18411 16884 1 20 . 1 1 141 141 SER CA C 141 61.291 61.291 62.508 -1.217 18411 16885 1 20 . 1 1 141 141 SER CB C 141 62.690 62.690 62.910 -0.220 18411 16886 1 20 . 1 1 141 141 SER H H 141 7.835 7.835 8.201 -0.366 18411 16887 1 20 . 1 1 142 142 LEU N N 142 126.764 126.764 122.527 4.237 18411 16888 1 20 . 1 1 142 142 LEU HA H 142 3.908 3.908 3.881 0.027 18411 16889 1 20 . 1 1 142 142 LEU C C 142 176.876 176.876 178.279 -1.403 18411 16890 1 20 . 1 1 142 142 LEU CA C 142 58.757 58.757 58.190 0.567 18411 16891 1 20 . 1 1 142 142 LEU CB C 142 41.653 41.653 41.644 0.009 18411 16892 1 20 . 1 1 142 142 LEU H H 142 7.833 7.833 7.728 0.105 18411 16893 1 20 . 1 1 143 143 VAL N N 143 119.066 119.066 118.967 0.099 18411 16894 1 20 . 1 1 143 143 VAL HA H 143 3.174 3.174 3.406 -0.232 18411 16895 1 20 . 1 1 143 143 VAL C C 143 178.479 178.479 178.380 0.099 18411 16896 1 20 . 1 1 143 143 VAL CA C 143 66.864 66.864 66.729 0.135 18411 16897 1 20 . 1 1 143 143 VAL CB C 143 32.350 32.350 31.347 1.003 18411 16898 1 20 . 1 1 143 143 VAL H H 143 8.010 8.010 7.819 0.191 18411 16899 1 20 . 1 1 144 144 GLN N N 144 118.170 118.170 118.587 -0.417 18411 16900 1 20 . 1 1 144 144 GLN HA H 144 4.028 4.028 3.920 0.108 18411 16901 1 20 . 1 1 144 144 GLN C C 144 178.335 178.335 178.047 0.288 18411 16902 1 20 . 1 1 144 144 GLN CA C 144 59.591 59.591 59.109 0.482 18411 16903 1 20 . 1 1 144 144 GLN CB C 144 32.906 32.906 28.499 4.407 18411 16904 1 20 . 1 1 144 144 GLN H H 144 7.935 7.935 7.737 0.198 18411 16905 1 20 . 1 1 145 145 GLN N N 145 119.839 119.839 120.018 -0.179 18411 16906 1 20 . 1 1 145 145 GLN HA H 145 4.029 4.029 4.025 0.004 18411 16907 1 20 . 1 1 145 145 GLN C C 145 178.686 178.686 178.606 0.080 18411 16908 1 20 . 1 1 145 145 GLN CA C 145 59.270 59.270 59.030 0.240 18411 16909 1 20 . 1 1 145 145 GLN CB C 145 27.587 27.587 28.628 -1.042 18411 16910 1 20 . 1 1 145 145 GLN H H 145 7.986 7.986 8.183 -0.197 18411 16911 1 20 . 1 1 146 146 ILE N N 146 119.900 119.900 120.048 -0.148 18411 16912 1 20 . 1 1 146 146 ILE HA H 146 3.345 3.345 3.604 -0.259 18411 16913 1 20 . 1 1 146 146 ILE C C 146 177.393 177.393 177.882 -0.489 18411 16914 1 20 . 1 1 146 146 ILE CA C 146 66.902 66.902 64.602 2.300 18411 16915 1 20 . 1 1 146 146 ILE CB C 146 38.281 38.281 37.317 0.964 18411 16916 1 20 . 1 1 146 146 ILE H H 146 8.171 8.171 8.670 -0.499 18411 16917 1 20 . 1 1 147 147 ASN N N 147 116.163 116.163 118.433 -2.270 18411 16918 1 20 . 1 1 147 147 ASN HA H 147 4.196 4.196 4.326 -0.130 18411 16919 1 20 . 1 1 147 147 ASN C C 147 179.035 179.035 177.797 1.238 18411 16920 1 20 . 1 1 147 147 ASN CA C 147 56.348 56.348 56.497 -0.149 18411 16921 1 20 . 1 1 147 147 ASN CB C 147 38.062 38.062 38.064 -0.002 18411 16922 1 20 . 1 1 147 147 ASN H H 147 7.896 7.896 7.987 -0.091 18411 16923 1 20 . 1 1 148 148 GLU N N 148 118.645 118.645 121.367 -2.722 18411 16924 1 20 . 1 1 148 148 GLU HA H 148 3.970 3.970 4.152 -0.182 18411 16925 1 20 . 1 1 148 148 GLU C C 148 179.964 179.964 178.670 1.294 18411 16926 1 20 . 1 1 148 148 GLU CA C 148 59.340 59.340 59.011 0.329 18411 16927 1 20 . 1 1 148 148 GLU CB C 148 29.572 29.572 29.179 0.393 18411 16928 1 20 . 1 1 148 148 GLU H H 148 8.311 8.311 7.824 0.487 18411 16929 1 20 . 1 1 149 149 MET N N 149 119.218 119.218 117.014 2.204 18411 16930 1 20 . 1 1 149 149 MET HA H 149 4.140 4.140 4.263 -0.123 18411 16931 1 20 . 1 1 149 149 MET C C 149 179.419 179.419 178.231 1.188 18411 16932 1 20 . 1 1 149 149 MET CA C 149 59.040 59.040 57.792 1.248 18411 16933 1 20 . 1 1 149 149 MET CB C 149 35.293 35.293 31.893 3.400 18411 16934 1 20 . 1 1 149 149 MET H H 149 8.527 8.527 7.685 0.842 18411 16935 1 20 . 1 1 150 150 LEU N N 150 118.078 118.078 116.610 1.468 18411 16936 1 20 . 1 1 150 150 LEU HA H 150 4.245 4.245 4.288 -0.043 18411 16937 1 20 . 1 1 150 150 LEU C C 150 178.141 178.141 178.035 0.106 18411 16938 1 20 . 1 1 150 150 LEU CA C 150 55.824 55.824 56.322 -0.498 18411 16939 1 20 . 1 1 150 150 LEU CB C 150 41.533 41.533 41.145 0.388 18411 16940 1 20 . 1 1 150 150 LEU H H 150 7.917 7.917 7.746 0.171 18411 16941 1 20 . 1 1 151 151 LYS N N 151 120.096 120.096 119.594 0.502 18411 16942 1 20 . 1 1 151 151 LYS HA H 151 4.181 4.181 4.387 -0.206 18411 16943 1 20 . 1 1 151 151 LYS C C 151 177.029 177.029 178.377 -1.348 18411 16944 1 20 . 1 1 151 151 LYS CA C 151 57.490 57.490 57.309 0.180 18411 16945 1 20 . 1 1 151 151 LYS CB C 151 32.921 32.921 33.463 -0.542 18411 16946 1 20 . 1 1 151 151 LYS H H 151 7.466 7.466 8.112 -0.646 18411 16947 1 20 . 1 1 152 152 GLU N N 152 120.188 120.188 117.761 2.427 18411 16948 1 20 . 1 1 152 152 GLU HA H 152 4.264 4.264 4.297 -0.033 18411 16949 1 20 . 1 1 152 152 GLU C C 152 177.259 177.259 178.610 -1.351 18411 16950 1 20 . 1 1 152 152 GLU CA C 152 57.070 57.070 58.868 -1.798 18411 16951 1 20 . 1 1 152 152 GLU CB C 152 30.385 30.385 30.078 0.307 18411 16952 1 20 . 1 1 152 152 GLU H H 152 7.820 7.820 8.284 -0.464 18411 16953 1 20 . 1 1 153 153 GLY N N 153 109.046 109.046 109.868 -0.822 18411 16954 1 20 . 1 1 153 153 GLY C C 153 174.204 174.204 174.273 -0.069 18411 16955 1 20 . 1 1 153 153 GLY CA C 153 45.327 45.327 45.992 -0.665 18411 16956 1 20 . 1 1 153 153 GLY H H 153 8.278 8.278 8.595 -0.317 18411 16957 1 20 . 1 1 158 158 HIS HA H 158 4.606 4.606 4.507 0.099 18411 16958 1 20 . 1 1 158 158 HIS C C 158 174.423 174.423 173.076 1.347 18411 16959 1 20 . 1 1 158 158 HIS CA C 158 56.235 56.235 56.023 0.212 18411 16960 1 20 . 1 1 158 158 HIS CB C 158 31.028 31.028 30.658 0.370 18411 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 137 3.595 0.337 3.592 18411 2 1 1 "Average Difference" HA 164 0.377 -0.028 0.378 18411 3 1 1 "Average Difference" C 142 1.114 -0.275 1.083 18411 4 1 1 "Average Difference" CA 152 1.217 -0.118 1.215 18411 5 1 1 "Average Difference" CB 140 1.414 -0.409 1.358 18411 6 1 1 "Average Difference" HN 137 0.598 -0.006 0.600 18411 7 1 2 "Average Difference" N 137 3.349 0.355 3.343 18411 8 1 2 "Average Difference" HA 164 0.362 -0.004 0.363 18411 9 1 2 "Average Difference" C 142 1.111 -0.267 1.083 18411 10 1 2 "Average Difference" CA 152 1.275 -0.242 1.256 18411 11 1 2 "Average Difference" CB 140 1.377 -0.361 1.334 18411 12 1 2 "Average Difference" HN 137 0.647 0.005 0.649 18411 13 1 3 "Average Difference" N 137 3.048 0.142 3.056 18411 14 1 3 "Average Difference" HA 164 0.373 -0.022 0.374 18411 15 1 3 "Average Difference" C 142 1.090 -0.287 1.055 18411 16 1 3 "Average Difference" CA 152 1.141 -0.175 1.132 18411 17 1 3 "Average Difference" CB 140 1.380 -0.266 1.359 18411 18 1 3 "Average Difference" HN 137 0.638 -0.001 0.640 18411 19 1 4 "Average Difference" N 137 3.368 0.419 3.354 18411 20 1 4 "Average Difference" HA 164 0.390 -0.016 0.391 18411 21 1 4 "Average Difference" C 142 1.105 -0.242 1.082 18411 22 1 4 "Average Difference" CA 152 1.263 -0.162 1.257 18411 23 1 4 "Average Difference" CB 140 1.429 -0.366 1.387 18411 24 1 4 "Average Difference" HN 137 0.604 0.038 0.605 18411 25 1 5 "Average Difference" N 137 3.420 0.444 3.403 18411 26 1 5 "Average Difference" HA 164 0.396 -0.020 0.396 18411 27 1 5 "Average Difference" C 142 1.104 -0.284 1.071 18411 28 1 5 "Average Difference" CA 152 1.161 -0.246 1.138 18411 29 1 5 "Average Difference" CB 140 1.351 -0.339 1.313 18411 30 1 5 "Average Difference" HN 137 0.590 0.017 0.592 18411 31 1 6 "Average Difference" N 137 3.126 0.413 3.110 18411 32 1 6 "Average Difference" HA 164 0.365 -0.018 0.366 18411 33 1 6 "Average Difference" C 142 1.114 -0.319 1.071 18411 34 1 6 "Average Difference" CA 152 1.144 -0.183 1.133 18411 35 1 6 "Average Difference" CB 140 1.427 -0.318 1.396 18411 36 1 6 "Average Difference" HN 137 0.610 0.041 0.610 18411 37 1 7 "Average Difference" N 137 3.332 0.280 3.333 18411 38 1 7 "Average Difference" HA 164 0.379 -0.017 0.380 18411 39 1 7 "Average Difference" C 142 1.148 -0.279 1.118 18411 40 1 7 "Average Difference" CA 152 1.183 -0.235 1.163 18411 41 1 7 "Average Difference" CB 140 1.297 -0.373 1.247 18411 42 1 7 "Average Difference" HN 137 0.632 0.021 0.634 18411 43 1 8 "Average Difference" N 137 3.344 0.361 3.337 18411 44 1 8 "Average Difference" HA 164 0.397 -0.023 0.397 18411 45 1 8 "Average Difference" C 142 1.108 -0.246 1.085 18411 46 1 8 "Average Difference" CA 152 1.053 -0.183 1.041 18411 47 1 8 "Average Difference" CB 140 1.332 -0.397 1.276 18411 48 1 8 "Average Difference" HN 137 0.570 0.041 0.570 18411 49 1 9 "Average Difference" N 137 3.208 0.519 3.177 18411 50 1 9 "Average Difference" HA 164 0.372 -0.036 0.371 18411 51 1 9 "Average Difference" C 142 1.065 -0.197 1.051 18411 52 1 9 "Average Difference" CA 152 1.201 -0.145 1.196 18411 53 1 9 "Average Difference" CB 140 1.264 -0.401 1.202 18411 54 1 9 "Average Difference" HN 137 0.579 0.017 0.581 18411 55 1 10 "Average Difference" N 137 3.361 0.203 3.367 18411 56 1 10 "Average Difference" HA 164 0.405 -0.007 0.407 18411 57 1 10 "Average Difference" C 142 1.076 -0.296 1.038 18411 58 1 10 "Average Difference" CA 152 1.222 -0.342 1.177 18411 59 1 10 "Average Difference" CB 140 1.383 -0.266 1.362 18411 60 1 10 "Average Difference" HN 137 0.593 0.038 0.594 18411 61 1 11 "Average Difference" N 137 3.698 0.469 3.682 18411 62 1 11 "Average Difference" HA 164 0.408 0.006 0.409 18411 63 1 11 "Average Difference" C 142 1.062 -0.271 1.031 18411 64 1 11 "Average Difference" CA 152 1.198 -0.118 1.196 18411 65 1 11 "Average Difference" CB 140 1.433 -0.375 1.388 18411 66 1 11 "Average Difference" HN 137 0.616 0.044 0.617 18411 67 1 12 "Average Difference" N 137 3.517 0.492 3.495 18411 68 1 12 "Average Difference" HA 164 0.389 -0.013 0.390 18411 69 1 12 "Average Difference" C 142 1.108 -0.267 1.080 18411 70 1 12 "Average Difference" CA 152 1.133 -0.217 1.116 18411 71 1 12 "Average Difference" CB 140 1.428 -0.370 1.384 18411 72 1 12 "Average Difference" HN 137 0.587 0.013 0.589 18411 73 1 13 "Average Difference" N 137 3.605 0.388 3.597 18411 74 1 13 "Average Difference" HA 164 0.371 -0.002 0.372 18411 75 1 13 "Average Difference" C 142 1.073 -0.274 1.042 18411 76 1 13 "Average Difference" CA 152 1.161 -0.229 1.142 18411 77 1 13 "Average Difference" CB 140 1.333 -0.308 1.301 18411 78 1 13 "Average Difference" HN 137 0.640 0.016 0.642 18411 79 1 14 "Average Difference" N 137 3.624 0.180 3.633 18411 80 1 14 "Average Difference" HA 164 0.423 -0.035 0.423 18411 81 1 14 "Average Difference" C 142 1.098 -0.244 1.074 18411 82 1 14 "Average Difference" CA 152 1.192 -0.209 1.177 18411 83 1 14 "Average Difference" CB 140 1.426 -0.374 1.381 18411 84 1 14 "Average Difference" HN 137 0.598 -0.020 0.600 18411 85 1 15 "Average Difference" N 137 3.362 0.391 3.351 18411 86 1 15 "Average Difference" HA 164 0.361 -0.014 0.361 18411 87 1 15 "Average Difference" C 142 1.122 -0.334 1.075 18411 88 1 15 "Average Difference" CA 152 1.189 -0.193 1.177 18411 89 1 15 "Average Difference" CB 140 1.349 -0.301 1.320 18411 90 1 15 "Average Difference" HN 137 0.641 0.044 0.642 18411 91 1 16 "Average Difference" N 137 3.771 0.283 3.774 18411 92 1 16 "Average Difference" HA 164 0.369 -0.024 0.370 18411 93 1 16 "Average Difference" C 142 1.103 -0.237 1.081 18411 94 1 16 "Average Difference" CA 152 1.225 -0.190 1.214 18411 95 1 16 "Average Difference" CB 140 1.308 -0.320 1.272 18411 96 1 16 "Average Difference" HN 137 0.649 0.006 0.651 18411 97 1 17 "Average Difference" N 137 3.332 0.237 3.336 18411 98 1 17 "Average Difference" HA 164 0.372 -0.007 0.373 18411 99 1 17 "Average Difference" C 142 1.094 -0.239 1.071 18411 100 1 17 "Average Difference" CA 152 1.204 -0.195 1.192 18411 101 1 17 "Average Difference" CB 140 1.357 -0.316 1.324 18411 102 1 17 "Average Difference" HN 137 0.600 -0.002 0.602 18411 103 1 18 "Average Difference" N 137 3.685 0.198 3.694 18411 104 1 18 "Average Difference" HA 164 0.401 -0.068 0.396 18411 105 1 18 "Average Difference" C 142 1.094 -0.228 1.074 18411 106 1 18 "Average Difference" CA 152 1.186 -0.116 1.184 18411 107 1 18 "Average Difference" CB 140 1.369 -0.393 1.316 18411 108 1 18 "Average Difference" HN 137 0.645 -0.009 0.648 18411 109 1 19 "Average Difference" N 137 3.285 0.430 3.269 18411 110 1 19 "Average Difference" HA 164 0.384 -0.009 0.385 18411 111 1 19 "Average Difference" C 142 1.119 -0.208 1.103 18411 112 1 19 "Average Difference" CA 152 1.192 -0.239 1.171 18411 113 1 19 "Average Difference" CB 140 1.287 -0.415 1.222 18411 114 1 19 "Average Difference" HN 137 0.584 -0.032 0.586 18411 115 1 20 "Average Difference" N 137 3.351 0.251 3.354 18411 116 1 20 "Average Difference" HA 164 0.388 -0.001 0.389 18411 117 1 20 "Average Difference" C 142 1.082 -0.260 1.054 18411 118 1 20 "Average Difference" CA 152 1.186 -0.224 1.168 18411 119 1 20 "Average Difference" CB 140 1.369 -0.276 1.346 18411 120 1 20 "Average Difference" HN 137 0.620 0.021 0.622 18411 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 18411 _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 3 3 LEU HA H 3 3.930 3.930 4.527 -0.597 18411 2 1 . 1 1 3 3 LEU CA C 3 58.669 58.669 54.899 3.770 18411 3 1 . 1 1 3 3 LEU CB C 3 42.010 42.010 42.222 -0.212 18411 4 1 . 1 1 4 4 GLY C C 4 173.604 173.604 173.306 0.298 18411 5 1 . 1 1 4 4 GLY CA C 4 46.072 46.072 45.025 1.047 18411 6 1 . 1 1 5 5 TYR N N 5 116.195 116.195 121.193 -4.998 18411 7 1 . 1 1 5 5 TYR HA H 5 4.769 4.769 4.597 0.172 18411 8 1 . 1 1 5 5 TYR C C 5 177.898 177.898 176.203 1.695 18411 9 1 . 1 1 5 5 TYR CA C 5 60.102 60.102 58.355 1.747 18411 10 1 . 1 1 5 5 TYR CB C 5 39.615 39.615 39.811 -0.196 18411 11 1 . 1 1 5 5 TYR H H 5 7.849 7.849 7.880 -0.031 18411 12 1 . 1 1 6 6 ILE N N 6 115.338 115.338 119.462 -4.124 18411 13 1 . 1 1 6 6 ILE HA H 6 4.514 4.514 4.392 0.122 18411 14 1 . 1 1 6 6 ILE C C 6 175.977 175.977 175.590 0.387 18411 15 1 . 1 1 6 6 ILE CA C 6 61.623 61.623 61.676 -0.053 18411 16 1 . 1 1 6 6 ILE CB C 6 38.270 38.270 38.741 -0.471 18411 17 1 . 1 1 6 6 ILE H H 6 8.687 8.687 8.272 0.415 18411 18 1 . 1 1 7 7 VAL N N 7 113.122 113.122 119.419 -6.297 18411 19 1 . 1 1 7 7 VAL HA H 7 4.730 4.730 4.367 0.363 18411 20 1 . 1 1 7 7 VAL C C 7 174.331 174.331 174.927 -0.596 18411 21 1 . 1 1 7 7 VAL CA C 7 58.867 58.867 60.537 -1.670 18411 22 1 . 1 1 7 7 VAL CB C 7 34.475 34.475 33.898 0.577 18411 23 1 . 1 1 7 7 VAL H H 7 6.845 6.845 7.469 -0.624 18411 24 1 . 1 1 8 8 ARG N N 8 117.597 117.597 122.772 -5.175 18411 25 1 . 1 1 8 8 ARG HA H 8 4.539 4.539 4.628 -0.089 18411 26 1 . 1 1 8 8 ARG C C 8 175.618 175.618 175.520 0.098 18411 27 1 . 1 1 8 8 ARG CA C 8 53.717 53.717 53.895 -0.177 18411 28 1 . 1 1 8 8 ARG CB C 8 34.126 34.126 32.761 1.365 18411 29 1 . 1 1 8 8 ARG H H 8 7.978 7.978 8.362 -0.384 18411 30 1 . 1 1 9 9 ILE N N 9 118.377 118.377 121.176 -2.800 18411 31 1 . 1 1 9 9 ILE HA H 9 3.465 3.465 3.985 -0.520 18411 32 1 . 1 1 9 9 ILE C C 9 177.771 177.771 177.446 0.325 18411 33 1 . 1 1 9 9 ILE CA C 9 62.350 62.350 62.657 -0.307 18411 34 1 . 1 1 9 9 ILE CB C 9 37.049 37.049 37.327 -0.278 18411 35 1 . 1 1 9 9 ILE H H 9 8.085 8.085 8.417 -0.332 18411 36 1 . 1 1 10 10 GLY N N 10 115.204 115.204 115.656 -0.452 18411 37 1 . 1 1 10 10 GLY C C 10 174.235 174.235 174.083 0.152 18411 38 1 . 1 1 10 10 GLY CA C 10 44.763 44.763 44.733 0.031 18411 39 1 . 1 1 10 10 GLY H H 10 9.149 9.149 9.149 0.000 18411 40 1 . 1 1 11 11 GLU N N 11 119.157 119.157 121.164 -2.007 18411 41 1 . 1 1 11 11 GLU HA H 11 4.392 4.392 4.466 -0.074 18411 42 1 . 1 1 11 11 GLU C C 11 176.729 176.729 176.017 0.712 18411 43 1 . 1 1 11 11 GLU CA C 11 55.108 55.108 55.152 -0.044 18411 44 1 . 1 1 11 11 GLU CB C 11 31.473 31.473 30.757 0.716 18411 45 1 . 1 1 11 11 GLU H H 11 7.631 7.631 7.686 -0.055 18411 46 1 . 1 1 12 12 MET N N 12 119.646 119.646 121.792 -2.146 18411 47 1 . 1 1 12 12 MET HA H 12 4.593 4.593 4.584 0.009 18411 48 1 . 1 1 12 12 MET C C 12 177.162 177.162 176.559 0.603 18411 49 1 . 1 1 12 12 MET CA C 12 54.475 54.475 54.966 -0.491 18411 50 1 . 1 1 12 12 MET CB C 12 30.749 30.749 32.566 -1.817 18411 51 1 . 1 1 12 12 MET H H 12 8.566 8.566 8.518 0.048 18411 52 1 . 1 1 13 13 ALA N N 13 129.735 129.735 128.622 1.113 18411 53 1 . 1 1 13 13 ALA HA H 13 4.293 4.293 4.568 -0.275 18411 54 1 . 1 1 13 13 ALA C C 13 175.992 175.992 175.793 0.199 18411 55 1 . 1 1 13 13 ALA CA C 13 50.676 50.676 50.359 0.317 18411 56 1 . 1 1 13 13 ALA CB C 13 18.125 18.125 18.670 -0.545 18411 57 1 . 1 1 13 13 ALA H H 13 8.626 8.626 8.764 -0.138 18411 58 1 . 1 1 14 14 PRO HA H 14 4.253 4.253 4.364 -0.111 18411 59 1 . 1 1 14 14 PRO C C 14 176.066 176.066 175.894 0.172 18411 60 1 . 1 1 14 14 PRO CA C 14 63.478 63.478 62.655 0.823 18411 61 1 . 1 1 14 14 PRO CB C 14 32.987 32.987 32.058 0.929 18411 62 1 . 1 1 15 15 ASP N N 15 123.075 123.075 121.232 1.843 18411 63 1 . 1 1 15 15 ASP HA H 15 4.700 4.700 4.500 0.200 18411 64 1 . 1 1 15 15 ASP C C 15 176.067 176.067 175.527 0.540 18411 65 1 . 1 1 15 15 ASP CA C 15 53.628 53.628 54.571 -0.943 18411 66 1 . 1 1 15 15 ASP CB C 15 41.613 41.613 42.273 -0.660 18411 67 1 . 1 1 15 15 ASP H H 15 8.373 8.373 8.374 -0.001 18411 68 1 . 1 1 16 16 PHE N N 16 114.256 114.256 115.716 -1.460 18411 69 1 . 1 1 16 16 PHE HA H 16 4.869 4.869 4.890 -0.021 18411 70 1 . 1 1 16 16 PHE C C 16 173.028 173.028 173.455 -0.427 18411 71 1 . 1 1 16 16 PHE CA C 16 56.721 56.721 56.427 0.294 18411 72 1 . 1 1 16 16 PHE CB C 16 40.560 40.560 41.169 -0.609 18411 73 1 . 1 1 16 16 PHE H H 16 7.950 7.950 7.774 0.176 18411 74 1 . 1 1 17 17 THR N N 17 116.459 116.459 117.610 -1.151 18411 75 1 . 1 1 17 17 THR HA H 17 5.244 5.244 5.221 0.023 18411 76 1 . 1 1 17 17 THR C C 17 172.722 172.722 173.752 -1.030 18411 77 1 . 1 1 17 17 THR CA C 17 62.061 62.061 61.839 0.222 18411 78 1 . 1 1 17 17 THR CB C 17 70.882 70.882 69.496 1.386 18411 79 1 . 1 1 17 17 THR H H 17 8.596 8.596 8.587 0.009 18411 80 1 . 1 1 18 18 ILE N N 18 128.165 128.165 127.550 0.615 18411 81 1 . 1 1 18 18 ILE HA H 18 4.995 4.995 4.595 0.400 18411 82 1 . 1 1 18 18 ILE C C 18 172.309 172.309 174.015 -1.706 18411 83 1 . 1 1 18 18 ILE CA C 18 59.123 59.123 59.339 -0.216 18411 84 1 . 1 1 18 18 ILE CB C 18 43.984 43.984 41.619 2.365 18411 85 1 . 1 1 18 18 ILE H H 18 9.574 9.574 9.002 0.572 18411 86 1 . 1 1 19 19 THR N N 19 124.473 124.473 124.252 0.221 18411 87 1 . 1 1 19 19 THR HA H 19 4.821 4.821 4.831 -0.010 18411 88 1 . 1 1 19 19 THR C C 19 174.104 174.104 174.429 -0.325 18411 89 1 . 1 1 19 19 THR CA C 19 62.316 62.316 62.538 -0.222 18411 90 1 . 1 1 19 19 THR CB C 19 69.287 69.287 69.109 0.178 18411 91 1 . 1 1 19 19 THR H H 19 9.081 9.081 8.720 0.361 18411 92 1 . 1 1 20 20 LEU N N 20 125.167 125.167 126.986 -1.819 18411 93 1 . 1 1 20 20 LEU HA H 20 5.082 5.082 4.777 0.305 18411 94 1 . 1 1 20 20 LEU C C 20 181.023 181.023 179.455 1.568 18411 95 1 . 1 1 20 20 LEU CA C 20 54.191 54.191 54.409 -0.218 18411 96 1 . 1 1 20 20 LEU CB C 20 42.219 42.219 42.851 -0.632 18411 97 1 . 1 1 20 20 LEU H H 20 9.227 9.227 9.057 0.170 18411 98 1 . 1 1 21 21 THR N N 21 109.887 109.887 113.884 -3.996 18411 99 1 . 1 1 21 21 THR HA H 21 3.831 3.831 4.028 -0.197 18411 100 1 . 1 1 21 21 THR C C 21 174.716 174.716 175.118 -0.402 18411 101 1 . 1 1 21 21 THR CA C 21 64.992 64.992 65.615 -0.623 18411 102 1 . 1 1 21 21 THR CB C 21 68.529 68.529 68.601 -0.072 18411 103 1 . 1 1 21 21 THR H H 21 8.603 8.603 8.638 -0.035 18411 104 1 . 1 1 22 22 ASP N N 22 117.311 117.311 118.462 -1.151 18411 105 1 . 1 1 22 22 ASP HA H 22 4.594 4.594 4.635 -0.041 18411 106 1 . 1 1 22 22 ASP C C 22 177.771 177.771 176.828 0.943 18411 107 1 . 1 1 22 22 ASP CA C 22 53.173 53.173 53.513 -0.340 18411 108 1 . 1 1 22 22 ASP CB C 22 40.449 40.449 40.186 0.263 18411 109 1 . 1 1 22 22 ASP H H 22 7.530 7.530 7.933 -0.403 18411 110 1 . 1 1 23 23 GLY N N 23 108.847 108.847 108.717 0.130 18411 111 1 . 1 1 23 23 GLY C C 23 174.806 174.806 174.145 0.661 18411 112 1 . 1 1 23 23 GLY CA C 23 45.028 45.028 45.217 -0.189 18411 113 1 . 1 1 23 23 GLY H H 23 8.203 8.203 7.896 0.307 18411 114 1 . 1 1 24 24 LYS N N 24 122.092 122.092 121.340 0.752 18411 115 1 . 1 1 24 24 LYS HA H 24 4.267 4.267 4.371 -0.104 18411 116 1 . 1 1 24 24 LYS C C 24 175.350 175.350 175.888 -0.538 18411 117 1 . 1 1 24 24 LYS CA C 24 57.060 57.060 55.305 1.755 18411 118 1 . 1 1 24 24 LYS CB C 24 33.271 33.271 32.694 0.577 18411 119 1 . 1 1 24 24 LYS H H 24 7.881 7.881 7.944 -0.063 18411 120 1 . 1 1 25 25 GLN N N 25 119.585 119.585 124.111 -4.526 18411 121 1 . 1 1 25 25 GLN HA H 25 5.561 5.561 5.128 0.433 18411 122 1 . 1 1 25 25 GLN C C 25 176.631 176.631 175.635 0.996 18411 123 1 . 1 1 25 25 GLN CA C 25 54.572 54.572 55.179 -0.607 18411 124 1 . 1 1 25 25 GLN CB C 25 31.621 31.621 29.685 1.936 18411 125 1 . 1 1 25 25 GLN H H 25 8.365 8.365 8.639 -0.274 18411 126 1 . 1 1 26 26 VAL N N 26 123.115 123.115 122.816 0.299 18411 127 1 . 1 1 26 26 VAL HA H 26 4.466 4.466 4.585 -0.119 18411 128 1 . 1 1 26 26 VAL C C 26 174.390 174.390 174.253 0.137 18411 129 1 . 1 1 26 26 VAL CA C 26 61.142 61.142 59.563 1.579 18411 130 1 . 1 1 26 26 VAL CB C 26 35.962 35.962 34.694 1.268 18411 131 1 . 1 1 26 26 VAL H H 26 9.069 9.069 8.958 0.111 18411 132 1 . 1 1 27 27 THR N N 27 122.509 122.509 120.153 2.356 18411 133 1 . 1 1 27 27 THR HA H 27 5.437 5.437 5.084 0.353 18411 134 1 . 1 1 27 27 THR C C 27 176.330 176.330 175.585 0.745 18411 135 1 . 1 1 27 27 THR CA C 27 60.068 60.068 60.479 -0.411 18411 136 1 . 1 1 27 27 THR CB C 27 70.655 70.655 70.712 -0.057 18411 137 1 . 1 1 27 27 THR H H 27 8.256 8.256 8.274 -0.018 18411 138 1 . 1 1 28 28 LEU N N 28 131.816 131.816 125.314 6.502 18411 139 1 . 1 1 28 28 LEU HA H 28 3.607 3.607 3.785 -0.178 18411 140 1 . 1 1 28 28 LEU C C 28 180.093 180.093 178.221 1.872 18411 141 1 . 1 1 28 28 LEU CA C 28 59.264 59.264 57.508 1.756 18411 142 1 . 1 1 28 28 LEU CB C 28 39.396 39.396 41.558 -2.162 18411 143 1 . 1 1 28 28 LEU H H 28 8.311 8.311 8.381 -0.070 18411 144 1 . 1 1 29 29 SER N N 29 114.727 114.727 114.183 0.544 18411 145 1 . 1 1 29 29 SER HA H 29 4.003 4.003 4.165 -0.162 18411 146 1 . 1 1 29 29 SER C C 29 177.762 177.762 176.332 1.430 18411 147 1 . 1 1 29 29 SER CA C 29 60.896 60.896 61.098 -0.203 18411 148 1 . 1 1 29 29 SER CB C 29 61.091 61.091 62.601 -1.510 18411 149 1 . 1 1 29 29 SER H H 29 9.491 9.491 8.434 1.057 18411 150 1 . 1 1 30 30 SER N N 30 119.100 119.100 116.614 2.486 18411 151 1 . 1 1 30 30 SER HA H 30 4.476 4.476 4.350 0.126 18411 152 1 . 1 1 30 30 SER C C 30 175.104 175.104 175.072 0.032 18411 153 1 . 1 1 30 30 SER CA C 30 60.661 60.661 60.273 0.388 18411 154 1 . 1 1 30 30 SER CB C 30 63.174 63.174 63.308 -0.134 18411 155 1 . 1 1 30 30 SER H H 30 7.878 7.878 7.696 0.182 18411 156 1 . 1 1 31 31 LEU N N 31 121.415 121.415 119.804 1.611 18411 157 1 . 1 1 31 31 LEU HA H 31 4.258 4.258 4.429 -0.171 18411 158 1 . 1 1 31 31 LEU C C 31 175.710 175.710 176.175 -0.465 18411 159 1 . 1 1 31 31 LEU CA C 31 53.804 53.804 53.975 -0.171 18411 160 1 . 1 1 31 31 LEU CB C 31 41.285 41.285 42.310 -1.025 18411 161 1 . 1 1 31 31 LEU H H 31 8.026 8.026 7.525 0.501 18411 162 1 . 1 1 32 32 ARG N N 32 119.061 119.061 120.096 -1.035 18411 163 1 . 1 1 32 32 ARG HA H 32 4.411 4.411 4.082 0.329 18411 164 1 . 1 1 32 32 ARG C C 32 177.585 177.585 177.118 0.467 18411 165 1 . 1 1 32 32 ARG CA C 32 57.590 57.590 57.114 0.476 18411 166 1 . 1 1 32 32 ARG CB C 32 29.497 29.497 29.543 -0.046 18411 167 1 . 1 1 32 32 ARG H H 32 6.788 6.788 7.253 -0.465 18411 168 1 . 1 1 33 33 GLY N N 33 114.033 114.033 111.598 2.435 18411 169 1 . 1 1 33 33 GLY C C 33 173.456 173.456 173.524 -0.068 18411 170 1 . 1 1 33 33 GLY CA C 33 44.684 44.684 45.129 -0.445 18411 171 1 . 1 1 33 33 GLY H H 33 9.120 9.120 8.508 0.612 18411 172 1 . 1 1 34 34 LYS N N 34 120.270 120.270 119.912 0.358 18411 173 1 . 1 1 34 34 LYS HA H 34 4.606 4.606 5.014 -0.408 18411 174 1 . 1 1 34 34 LYS C C 34 175.350 175.350 176.273 -0.923 18411 175 1 . 1 1 34 34 LYS CA C 34 54.786 54.786 54.118 0.668 18411 176 1 . 1 1 34 34 LYS CB C 34 34.125 34.125 35.525 -1.400 18411 177 1 . 1 1 34 34 LYS H H 34 8.146 8.146 7.568 0.578 18411 178 1 . 1 1 35 35 VAL N N 35 122.059 122.059 121.112 0.947 18411 179 1 . 1 1 35 35 VAL HA H 35 4.020 4.020 4.283 -0.263 18411 180 1 . 1 1 35 35 VAL C C 35 174.699 174.699 174.240 0.459 18411 181 1 . 1 1 35 35 VAL CA C 35 63.108 63.108 61.832 1.276 18411 182 1 . 1 1 35 35 VAL CB C 35 33.022 33.022 31.993 1.029 18411 183 1 . 1 1 35 35 VAL H H 35 8.757 8.757 8.674 0.083 18411 184 1 . 1 1 36 36 VAL N N 36 125.815 125.815 128.535 -2.719 18411 185 1 . 1 1 36 36 VAL HA H 36 4.856 4.856 4.610 0.246 18411 186 1 . 1 1 36 36 VAL C C 36 174.622 174.622 174.448 0.174 18411 187 1 . 1 1 36 36 VAL CA C 36 60.078 60.078 60.580 -0.502 18411 188 1 . 1 1 36 36 VAL CB C 36 35.605 35.605 33.103 2.502 18411 189 1 . 1 1 36 36 VAL H H 36 8.485 8.485 8.552 -0.067 18411 190 1 . 1 1 37 37 MET N N 37 126.478 126.478 128.289 -1.811 18411 191 1 . 1 1 37 37 MET HA H 37 5.383 5.383 5.026 0.357 18411 192 1 . 1 1 37 37 MET C C 37 173.473 173.473 173.711 -0.238 18411 193 1 . 1 1 37 37 MET CA C 37 53.661 53.661 54.191 -0.530 18411 194 1 . 1 1 37 37 MET CB C 37 35.948 35.948 34.924 1.024 18411 195 1 . 1 1 37 37 MET H H 37 8.694 8.694 8.942 -0.248 18411 196 1 . 1 1 38 38 LEU N N 38 124.275 124.275 127.282 -3.007 18411 197 1 . 1 1 38 38 LEU HA H 38 5.100 5.100 5.141 -0.041 18411 198 1 . 1 1 38 38 LEU C C 38 175.828 175.828 175.154 0.674 18411 199 1 . 1 1 38 38 LEU CA C 38 52.144 52.144 52.942 -0.798 18411 200 1 . 1 1 38 38 LEU CB C 38 42.898 42.898 43.434 -0.536 18411 201 1 . 1 1 38 38 LEU H H 38 9.181 9.181 9.205 -0.024 18411 202 1 . 1 1 39 39 GLN N N 39 124.390 124.390 122.011 2.379 18411 203 1 . 1 1 39 39 GLN HA H 39 5.369 5.369 4.950 0.419 18411 204 1 . 1 1 39 39 GLN C C 39 175.696 175.696 174.451 1.245 18411 205 1 . 1 1 39 39 GLN CA C 39 54.025 54.025 53.705 0.320 18411 206 1 . 1 1 39 39 GLN CB C 39 28.735 28.735 31.114 -2.379 18411 207 1 . 1 1 39 39 GLN H H 39 8.325 8.325 8.256 0.069 18411 208 1 . 1 1 40 40 PHE N N 40 128.800 128.800 126.444 2.356 18411 209 1 . 1 1 40 40 PHE HA H 40 5.182 5.182 5.616 -0.434 18411 210 1 . 1 1 40 40 PHE C C 40 175.432 175.432 175.756 -0.324 18411 211 1 . 1 1 40 40 PHE CA C 40 59.370 59.370 57.454 1.916 18411 212 1 . 1 1 40 40 PHE CB C 40 39.256 39.256 39.932 -0.676 18411 213 1 . 1 1 40 40 PHE H H 40 8.899 8.899 9.206 -0.307 18411 214 1 . 1 1 41 41 THR N N 41 117.616 117.616 116.732 0.884 18411 215 1 . 1 1 41 41 THR HA H 41 5.274 5.274 4.697 0.577 18411 216 1 . 1 1 41 41 THR C C 41 170.795 170.795 172.193 -1.398 18411 217 1 . 1 1 41 41 THR CA C 41 59.448 59.448 59.256 0.192 18411 218 1 . 1 1 41 41 THR CB C 41 70.892 70.892 71.247 -0.355 18411 219 1 . 1 1 41 41 THR H H 41 8.589 8.589 8.934 -0.345 18411 220 1 . 1 1 42 42 ALA N N 42 122.005 122.005 121.724 0.281 18411 221 1 . 1 1 42 42 ALA HA H 42 4.162 4.162 4.729 -0.567 18411 222 1 . 1 1 42 42 ALA C C 42 177.618 177.618 176.549 1.069 18411 223 1 . 1 1 42 42 ALA CA C 42 52.454 52.454 50.645 1.809 18411 224 1 . 1 1 42 42 ALA CB C 42 20.704 20.704 20.970 -0.266 18411 225 1 . 1 1 42 42 ALA H H 42 7.201 7.201 7.808 -0.607 18411 226 1 . 1 1 43 43 SER N N 43 117.426 117.426 117.199 0.227 18411 227 1 . 1 1 43 43 SER HA H 43 1.542 1.542 2.872 -1.330 18411 228 1 . 1 1 43 43 SER C C 43 174.845 174.845 174.702 0.143 18411 229 1 . 1 1 43 43 SER CA C 43 60.202 60.202 60.315 -0.113 18411 230 1 . 1 1 43 43 SER CB C 43 63.040 63.040 63.126 -0.086 18411 231 1 . 1 1 43 43 SER H H 43 9.472 9.472 8.671 0.801 18411 232 1 . 1 1 44 44 TRP N N 44 116.512 116.512 116.584 -0.071 18411 233 1 . 1 1 44 44 TRP HA H 44 4.495 4.495 4.852 -0.357 18411 234 1 . 1 1 44 44 TRP C C 44 176.297 176.297 175.357 0.940 18411 235 1 . 1 1 44 44 TRP CA C 44 53.405 53.405 54.548 -1.143 18411 236 1 . 1 1 44 44 TRP CB C 44 29.450 29.450 28.729 0.721 18411 237 1 . 1 1 44 44 TRP H H 44 6.345 6.345 6.932 -0.587 18411 238 1 . 1 1 45 45 CYS N N 45 125.015 125.015 121.623 3.392 18411 239 1 . 1 1 45 45 CYS HA H 45 4.501 4.501 4.469 0.032 18411 240 1 . 1 1 45 45 CYS C C 45 176.409 176.409 176.012 0.397 18411 241 1 . 1 1 45 45 CYS CA C 45 58.904 58.904 58.841 0.063 18411 242 1 . 1 1 45 45 CYS CB C 45 28.203 28.203 28.121 0.082 18411 243 1 . 1 1 45 45 CYS H H 45 6.982 6.982 7.251 -0.269 18411 244 1 . 1 1 46 46 GLY CA C 46 47.225 47.225 46.530 0.695 18411 245 1 . 1 1 47 47 VAL HA H 47 3.804 3.804 3.823 -0.019 18411 246 1 . 1 1 47 47 VAL CA C 47 66.661 66.661 65.215 1.446 18411 247 1 . 1 1 47 47 VAL CB C 47 31.506 31.506 31.462 0.044 18411 248 1 . 1 1 48 48 CYS HA H 48 3.875 3.875 4.352 -0.477 18411 249 1 . 1 1 48 48 CYS C C 48 177.961 177.961 176.216 1.745 18411 250 1 . 1 1 48 48 CYS CA C 48 65.053 65.053 61.833 3.220 18411 251 1 . 1 1 48 48 CYS CB C 48 28.741 28.741 26.436 2.305 18411 252 1 . 1 1 49 49 ARG N N 49 115.039 115.039 117.953 -2.914 18411 253 1 . 1 1 49 49 ARG HA H 49 3.898 3.898 4.090 -0.192 18411 254 1 . 1 1 49 49 ARG C C 49 177.871 177.871 176.876 0.995 18411 255 1 . 1 1 49 49 ARG CA C 49 59.837 59.837 58.192 1.645 18411 256 1 . 1 1 49 49 ARG CB C 49 30.585 30.585 29.647 0.938 18411 257 1 . 1 1 49 49 ARG H H 49 7.658 7.658 7.652 0.006 18411 258 1 . 1 1 50 50 LYS N N 50 117.909 117.909 118.220 -0.311 18411 259 1 . 1 1 50 50 LYS HA H 50 4.098 4.098 4.184 -0.086 18411 260 1 . 1 1 50 50 LYS C C 50 177.723 177.723 177.696 0.027 18411 261 1 . 1 1 50 50 LYS CA C 50 58.198 58.198 58.232 -0.034 18411 262 1 . 1 1 50 50 LYS CB C 50 32.803 32.803 32.918 -0.115 18411 263 1 . 1 1 50 50 LYS H H 50 7.385 7.385 7.706 -0.321 18411 264 1 . 1 1 51 51 GLU N N 51 117.196 117.196 120.135 -2.938 18411 265 1 . 1 1 51 51 GLU HA H 51 3.453 3.453 3.601 -0.148 18411 266 1 . 1 1 51 51 GLU C C 51 179.194 179.194 178.910 0.284 18411 267 1 . 1 1 51 51 GLU CA C 51 57.754 57.754 59.197 -1.443 18411 268 1 . 1 1 51 51 GLU CB C 51 29.825 29.825 29.315 0.510 18411 269 1 . 1 1 51 51 GLU H H 51 7.764 7.764 7.528 0.236 18411 270 1 . 1 1 52 52 MET N N 52 118.785 118.785 118.995 -0.210 18411 271 1 . 1 1 52 52 MET HA H 52 3.979 3.979 4.580 -0.601 18411 272 1 . 1 1 52 52 MET C C 52 174.346 174.346 175.941 -1.595 18411 273 1 . 1 1 52 52 MET CA C 52 62.384 62.384 60.758 1.626 18411 274 1 . 1 1 52 52 MET CB C 52 32.805 32.805 30.356 2.449 18411 275 1 . 1 1 52 52 MET H H 52 8.100 8.100 8.536 -0.436 18411 276 1 . 1 1 53 53 PRO HA H 53 4.299 4.299 4.356 -0.058 18411 277 1 . 1 1 53 53 PRO C C 53 179.242 179.242 179.535 -0.293 18411 278 1 . 1 1 53 53 PRO CA C 53 65.708 65.708 66.056 -0.348 18411 279 1 . 1 1 53 53 PRO CB C 53 31.570 31.570 31.332 0.237 18411 280 1 . 1 1 54 54 PHE N N 54 116.067 116.067 117.475 -1.408 18411 281 1 . 1 1 54 54 PHE HA H 54 4.372 4.372 4.228 0.144 18411 282 1 . 1 1 54 54 PHE C C 54 178.283 178.283 178.199 0.084 18411 283 1 . 1 1 54 54 PHE CA C 54 61.249 61.249 62.643 -1.394 18411 284 1 . 1 1 54 54 PHE CB C 54 38.366 38.366 38.506 -0.140 18411 285 1 . 1 1 54 54 PHE H H 54 7.251 7.251 7.727 -0.476 18411 286 1 . 1 1 55 55 ILE N N 55 122.051 122.051 120.270 1.781 18411 287 1 . 1 1 55 55 ILE HA H 55 3.746 3.746 3.934 -0.188 18411 288 1 . 1 1 55 55 ILE C C 55 179.005 179.005 178.135 0.870 18411 289 1 . 1 1 55 55 ILE CA C 55 66.678 66.678 66.118 0.560 18411 290 1 . 1 1 55 55 ILE CB C 55 37.449 37.449 37.803 -0.354 18411 291 1 . 1 1 55 55 ILE H H 55 7.935 7.935 8.995 -1.060 18411 292 1 . 1 1 56 56 GLU N N 56 120.941 120.941 119.861 1.080 18411 293 1 . 1 1 56 56 GLU HA H 56 4.578 4.578 4.268 0.310 18411 294 1 . 1 1 56 56 GLU C C 56 177.034 177.034 178.690 -1.656 18411 295 1 . 1 1 56 56 GLU CA C 56 59.607 59.607 59.936 -0.329 18411 296 1 . 1 1 56 56 GLU CB C 56 29.640 29.640 29.270 0.370 18411 297 1 . 1 1 56 56 GLU H H 56 8.657 8.657 8.618 0.039 18411 298 1 . 1 1 57 57 LYS N N 57 114.712 114.712 119.179 -4.467 18411 299 1 . 1 1 57 57 LYS HA H 57 4.165 4.165 4.071 0.094 18411 300 1 . 1 1 57 57 LYS C C 57 177.831 177.831 178.692 -0.861 18411 301 1 . 1 1 57 57 LYS CA C 57 59.905 59.905 59.630 0.275 18411 302 1 . 1 1 57 57 LYS CB C 57 33.873 33.873 32.551 1.322 18411 303 1 . 1 1 57 57 LYS H H 57 7.719 7.719 8.001 -0.282 18411 304 1 . 1 1 58 58 ASP N N 58 114.953 114.953 116.772 -1.819 18411 305 1 . 1 1 58 58 ASP HA H 58 4.843 4.843 4.763 0.080 18411 306 1 . 1 1 58 58 ASP C C 58 176.515 176.515 177.978 -1.463 18411 307 1 . 1 1 58 58 ASP CA C 58 56.125 56.125 56.005 0.120 18411 308 1 . 1 1 58 58 ASP CB C 58 42.087 42.087 42.444 -0.357 18411 309 1 . 1 1 58 58 ASP H H 58 8.783 8.783 8.362 0.421 18411 310 1 . 1 1 59 59 ILE N N 59 115.807 115.807 120.234 -4.427 18411 311 1 . 1 1 59 59 ILE HA H 59 4.268 4.268 4.145 0.123 18411 312 1 . 1 1 59 59 ILE C C 59 176.369 176.369 177.148 -0.779 18411 313 1 . 1 1 59 59 ILE CA C 59 63.757 63.757 63.391 0.366 18411 314 1 . 1 1 59 59 ILE CB C 59 40.396 40.396 38.981 1.415 18411 315 1 . 1 1 59 59 ILE H H 59 7.455 7.455 8.025 -0.570 18411 316 1 . 1 1 60 60 TRP N N 60 120.937 120.937 121.885 -0.948 18411 317 1 . 1 1 60 60 TRP HA H 60 4.727 4.727 4.390 0.337 18411 318 1 . 1 1 60 60 TRP C C 60 177.428 177.428 178.255 -0.827 18411 319 1 . 1 1 60 60 TRP CA C 60 60.644 60.644 60.530 0.114 18411 320 1 . 1 1 60 60 TRP CB C 60 30.907 30.907 30.587 0.320 18411 321 1 . 1 1 60 60 TRP H H 60 9.012 9.012 8.546 0.466 18411 322 1 . 1 1 61 61 LEU N N 61 113.624 113.624 118.714 -5.090 18411 323 1 . 1 1 61 61 LEU HA H 61 3.572 3.572 3.806 -0.234 18411 324 1 . 1 1 61 61 LEU C C 61 179.473 179.473 178.663 0.810 18411 325 1 . 1 1 61 61 LEU CA C 61 57.569 57.569 57.892 -0.322 18411 326 1 . 1 1 61 61 LEU CB C 61 41.040 41.040 41.161 -0.121 18411 327 1 . 1 1 61 61 LEU H H 61 9.210 9.210 8.573 0.637 18411 328 1 . 1 1 62 62 LYS N N 62 112.991 112.991 115.400 -2.409 18411 329 1 . 1 1 62 62 LYS HA H 62 3.889 3.889 3.948 -0.059 18411 330 1 . 1 1 62 62 LYS C C 62 178.111 178.111 177.257 0.855 18411 331 1 . 1 1 62 62 LYS CA C 62 56.667 56.667 57.742 -1.075 18411 332 1 . 1 1 62 62 LYS CB C 62 31.651 31.651 32.069 -0.417 18411 333 1 . 1 1 62 62 LYS H H 62 6.216 6.216 7.866 -1.650 18411 334 1 . 1 1 63 63 HIS N N 63 114.656 114.656 114.429 0.227 18411 335 1 . 1 1 63 63 HIS HA H 63 4.943 4.943 4.572 0.371 18411 336 1 . 1 1 63 63 HIS C C 63 177.057 177.057 175.130 1.927 18411 337 1 . 1 1 63 63 HIS CA C 63 56.133 56.133 55.867 0.266 18411 338 1 . 1 1 63 63 HIS CB C 63 33.235 33.235 31.854 1.381 18411 339 1 . 1 1 63 63 HIS H H 63 7.067 7.067 7.497 -0.430 18411 340 1 . 1 1 64 64 LYS N N 64 119.155 119.155 118.656 0.499 18411 341 1 . 1 1 64 64 LYS HA H 64 3.513 3.513 2.795 0.718 18411 342 1 . 1 1 64 64 LYS C C 64 177.074 177.074 176.703 0.371 18411 343 1 . 1 1 64 64 LYS CA C 64 59.166 59.166 58.811 0.355 18411 344 1 . 1 1 64 64 LYS CB C 64 28.740 28.740 30.632 -1.892 18411 345 1 . 1 1 64 64 LYS H H 64 8.114 8.114 8.018 0.096 18411 346 1 . 1 1 65 65 ASP N N 65 117.882 117.882 118.737 -0.855 18411 347 1 . 1 1 65 65 ASP HA H 65 4.714 4.714 4.640 0.074 18411 348 1 . 1 1 65 65 ASP C C 65 175.195 175.195 177.722 -2.527 18411 349 1 . 1 1 65 65 ASP CA C 65 54.204 54.204 55.277 -1.073 18411 350 1 . 1 1 65 65 ASP CB C 65 40.564 40.564 42.041 -1.477 18411 351 1 . 1 1 65 65 ASP H H 65 7.963 7.963 8.099 -0.136 18411 352 1 . 1 1 66 66 ASN N N 66 122.091 122.091 117.435 4.656 18411 353 1 . 1 1 66 66 ASN HA H 66 4.659 4.659 4.274 0.385 18411 354 1 . 1 1 66 66 ASN C C 66 176.046 176.046 174.833 1.213 18411 355 1 . 1 1 66 66 ASN CA C 66 52.799 52.799 55.277 -2.478 18411 356 1 . 1 1 66 66 ASN CB C 66 39.054 39.054 37.767 1.287 18411 357 1 . 1 1 66 66 ASN H H 66 8.184 8.184 8.389 -0.205 18411 358 1 . 1 1 67 67 ALA N N 67 128.893 128.893 118.874 10.020 18411 359 1 . 1 1 67 67 ALA HA H 67 4.295 4.295 4.171 0.124 18411 360 1 . 1 1 67 67 ALA C C 67 177.886 177.886 175.999 1.887 18411 361 1 . 1 1 67 67 ALA CA C 67 54.049 54.049 53.224 0.825 18411 362 1 . 1 1 67 67 ALA CB C 67 18.549 18.549 19.434 -0.885 18411 363 1 . 1 1 67 67 ALA H H 67 8.806 8.806 8.389 0.417 18411 364 1 . 1 1 68 68 ASP N N 68 116.612 116.612 117.490 -0.878 18411 365 1 . 1 1 68 68 ASP HA H 68 4.823 4.823 4.897 -0.074 18411 366 1 . 1 1 68 68 ASP C C 68 173.310 173.310 174.351 -1.042 18411 367 1 . 1 1 68 68 ASP CA C 68 54.202 54.202 53.867 0.335 18411 368 1 . 1 1 68 68 ASP CB C 68 40.892 40.892 42.681 -1.789 18411 369 1 . 1 1 68 68 ASP H H 68 8.759 8.759 8.062 0.697 18411 370 1 . 1 1 69 69 PHE N N 69 119.640 119.640 122.044 -2.404 18411 371 1 . 1 1 69 69 PHE HA H 69 5.741 5.741 5.261 0.480 18411 372 1 . 1 1 69 69 PHE C C 69 173.860 173.860 173.053 0.807 18411 373 1 . 1 1 69 69 PHE CA C 69 56.192 56.192 56.274 -0.082 18411 374 1 . 1 1 69 69 PHE CB C 69 43.496 43.496 42.494 1.002 18411 375 1 . 1 1 69 69 PHE H H 69 7.912 7.912 8.003 -0.091 18411 376 1 . 1 1 70 70 ALA N N 70 130.226 130.226 129.571 0.655 18411 377 1 . 1 1 70 70 ALA HA H 70 4.321 4.321 4.747 -0.426 18411 378 1 . 1 1 70 70 ALA C C 70 171.945 171.945 174.409 -2.464 18411 379 1 . 1 1 70 70 ALA CA C 70 51.573 51.573 50.543 1.030 18411 380 1 . 1 1 70 70 ALA CB C 70 23.273 23.273 22.090 1.183 18411 381 1 . 1 1 70 70 ALA H H 70 8.298 8.298 8.609 -0.311 18411 382 1 . 1 1 71 71 LEU N N 71 122.090 122.090 124.954 -2.864 18411 383 1 . 1 1 71 71 LEU HA H 71 5.120 5.120 5.126 -0.006 18411 384 1 . 1 1 71 71 LEU C C 71 174.836 174.836 175.211 -0.375 18411 385 1 . 1 1 71 71 LEU CA C 71 53.348 53.348 53.931 -0.583 18411 386 1 . 1 1 71 71 LEU CB C 71 46.617 46.617 44.776 1.841 18411 387 1 . 1 1 71 71 LEU H H 71 7.217 7.217 8.599 -1.382 18411 388 1 . 1 1 72 72 ILE N N 72 123.189 123.189 125.163 -1.974 18411 389 1 . 1 1 72 72 ILE HA H 72 4.336 4.336 4.613 -0.277 18411 390 1 . 1 1 72 72 ILE C C 72 175.377 175.377 174.836 0.541 18411 391 1 . 1 1 72 72 ILE CA C 72 60.236 60.236 59.581 0.655 18411 392 1 . 1 1 72 72 ILE CB C 72 42.355 42.355 41.388 0.967 18411 393 1 . 1 1 72 72 ILE H H 72 8.211 8.211 8.923 -0.712 18411 394 1 . 1 1 73 73 GLY N N 73 114.189 114.189 114.750 -0.561 18411 395 1 . 1 1 73 73 GLY C C 73 172.626 172.626 172.828 -0.202 18411 396 1 . 1 1 73 73 GLY CA C 73 44.213 44.213 43.874 0.339 18411 397 1 . 1 1 73 73 GLY H H 73 9.202 9.202 8.650 0.552 18411 398 1 . 1 1 74 74 ILE N N 74 126.577 126.577 126.171 0.406 18411 399 1 . 1 1 74 74 ILE HA H 74 3.873 3.873 4.780 -0.907 18411 400 1 . 1 1 74 74 ILE C C 74 174.792 174.792 174.538 0.254 18411 401 1 . 1 1 74 74 ILE CA C 74 61.660 61.660 60.067 1.593 18411 402 1 . 1 1 74 74 ILE CB C 74 37.394 37.394 39.742 -2.348 18411 403 1 . 1 1 74 74 ILE H H 74 9.279 9.279 9.136 0.143 18411 404 1 . 1 1 75 75 ASP N N 75 129.040 129.040 128.050 0.990 18411 405 1 . 1 1 75 75 ASP HA H 75 5.213 5.213 5.141 0.072 18411 406 1 . 1 1 75 75 ASP C C 75 175.696 175.696 176.426 -0.730 18411 407 1 . 1 1 75 75 ASP CA C 75 52.425 52.425 53.621 -1.196 18411 408 1 . 1 1 75 75 ASP CB C 75 41.673 41.673 43.306 -1.633 18411 409 1 . 1 1 75 75 ASP H H 75 8.592 8.592 8.725 -0.133 18411 410 1 . 1 1 76 76 ARG N N 76 128.762 128.762 125.623 3.139 18411 411 1 . 1 1 76 76 ARG HA H 76 4.346 4.346 4.114 0.232 18411 412 1 . 1 1 76 76 ARG C C 76 174.562 174.562 176.195 -1.633 18411 413 1 . 1 1 76 76 ARG CA C 76 58.885 58.885 58.396 0.489 18411 414 1 . 1 1 76 76 ARG CB C 76 32.732 32.732 30.752 1.980 18411 415 1 . 1 1 76 76 ARG H H 76 8.842 8.842 8.494 0.348 18411 416 1 . 1 1 77 77 ASP N N 77 128.451 128.451 115.235 13.216 18411 417 1 . 1 1 77 77 ASP HA H 77 4.473 4.473 4.846 -0.373 18411 418 1 . 1 1 77 77 ASP C C 77 173.969 173.969 176.052 -2.083 18411 419 1 . 1 1 77 77 ASP CA C 77 56.139 56.139 54.632 1.507 18411 420 1 . 1 1 77 77 ASP CB C 77 42.541 42.541 42.042 0.499 18411 421 1 . 1 1 77 77 ASP H H 77 8.256 8.256 8.587 -0.331 18411 422 1 . 1 1 78 78 GLU N N 78 114.796 114.796 121.611 -6.815 18411 423 1 . 1 1 78 78 GLU HA H 78 5.060 5.060 4.638 0.422 18411 424 1 . 1 1 78 78 GLU C C 78 174.225 174.225 174.902 -0.677 18411 425 1 . 1 1 78 78 GLU CA C 78 54.220 54.220 54.731 -0.511 18411 426 1 . 1 1 78 78 GLU CB C 78 32.842 32.842 29.714 3.128 18411 427 1 . 1 1 78 78 GLU H H 78 8.010 8.010 8.505 -0.495 18411 428 1 . 1 1 79 79 PRO HA H 79 4.579 4.579 4.521 0.058 18411 429 1 . 1 1 79 79 PRO C C 79 177.508 177.508 177.721 -0.213 18411 430 1 . 1 1 79 79 PRO CA C 79 62.067 62.067 62.312 -0.245 18411 431 1 . 1 1 79 79 PRO CB C 79 33.096 33.096 32.688 0.408 18411 432 1 . 1 1 80 80 LEU N N 80 122.209 122.209 121.456 0.753 18411 433 1 . 1 1 80 80 LEU HA H 80 3.927 3.927 3.971 -0.044 18411 434 1 . 1 1 80 80 LEU C C 80 177.847 177.847 178.569 -0.722 18411 435 1 . 1 1 80 80 LEU CA C 80 59.188 59.188 59.316 -0.128 18411 436 1 . 1 1 80 80 LEU CB C 80 42.001 42.001 41.083 0.918 18411 437 1 . 1 1 80 80 LEU H H 80 8.943 8.943 8.467 0.476 18411 438 1 . 1 1 81 81 GLU N N 81 115.361 115.361 117.450 -2.089 18411 439 1 . 1 1 81 81 GLU HA H 81 3.999 3.999 4.055 -0.056 18411 440 1 . 1 1 81 81 GLU C C 81 180.044 180.044 178.838 1.206 18411 441 1 . 1 1 81 81 GLU CA C 81 60.552 60.552 59.264 1.288 18411 442 1 . 1 1 81 81 GLU CB C 81 28.723 28.723 28.352 0.371 18411 443 1 . 1 1 81 81 GLU H H 81 9.534 9.534 8.942 0.592 18411 444 1 . 1 1 82 82 LYS N N 82 118.582 118.582 119.875 -1.293 18411 445 1 . 1 1 82 82 LYS HA H 82 4.183 4.183 4.122 0.061 18411 446 1 . 1 1 82 82 LYS C C 82 179.226 179.226 178.814 0.412 18411 447 1 . 1 1 82 82 LYS CA C 82 58.248 58.248 58.609 -0.361 18411 448 1 . 1 1 82 82 LYS CB C 82 32.912 32.912 31.793 1.119 18411 449 1 . 1 1 82 82 LYS H H 82 7.332 7.332 7.715 -0.382 18411 450 1 . 1 1 83 83 VAL N N 83 122.971 122.971 120.697 2.274 18411 451 1 . 1 1 83 83 VAL HA H 83 3.554 3.554 3.740 -0.186 18411 452 1 . 1 1 83 83 VAL C C 83 178.331 178.331 178.536 -0.205 18411 453 1 . 1 1 83 83 VAL CA C 83 67.063 67.063 66.392 0.671 18411 454 1 . 1 1 83 83 VAL CB C 83 31.497 31.497 31.373 0.124 18411 455 1 . 1 1 83 83 VAL H H 83 7.743 7.743 7.911 -0.168 18411 456 1 . 1 1 84 84 LEU N N 84 119.209 119.209 119.647 -0.438 18411 457 1 . 1 1 84 84 LEU HA H 84 4.030 4.030 4.015 0.015 18411 458 1 . 1 1 84 84 LEU C C 84 180.647 180.647 178.941 1.706 18411 459 1 . 1 1 84 84 LEU CA C 84 57.975 57.975 57.810 0.165 18411 460 1 . 1 1 84 84 LEU CB C 84 42.010 42.010 40.410 1.600 18411 461 1 . 1 1 84 84 LEU H H 84 8.706 8.706 8.331 0.375 18411 462 1 . 1 1 85 85 ALA N N 85 120.801 120.801 122.254 -1.453 18411 463 1 . 1 1 85 85 ALA HA H 85 4.198 4.198 4.086 0.113 18411 464 1 . 1 1 85 85 ALA C C 85 180.253 180.253 179.333 0.920 18411 465 1 . 1 1 85 85 ALA CA C 85 54.947 54.947 54.937 0.010 18411 466 1 . 1 1 85 85 ALA CB C 85 17.973 17.973 18.410 -0.437 18411 467 1 . 1 1 85 85 ALA H H 85 7.440 7.440 7.913 -0.473 18411 468 1 . 1 1 86 86 PHE N N 86 123.035 123.035 119.902 3.133 18411 469 1 . 1 1 86 86 PHE HA H 86 4.905 4.905 4.084 0.821 18411 470 1 . 1 1 86 86 PHE C C 86 179.015 179.015 176.947 2.068 18411 471 1 . 1 1 86 86 PHE CA C 86 56.648 56.648 61.094 -4.446 18411 472 1 . 1 1 86 86 PHE CB C 86 39.249 39.249 39.310 -0.061 18411 473 1 . 1 1 86 86 PHE H H 86 8.040 8.040 8.408 -0.368 18411 474 1 . 1 1 87 87 ALA N N 87 123.932 123.932 121.855 2.077 18411 475 1 . 1 1 87 87 ALA HA H 87 3.480 3.480 3.856 -0.376 18411 476 1 . 1 1 87 87 ALA C C 87 179.800 179.800 179.173 0.627 18411 477 1 . 1 1 87 87 ALA CA C 87 55.183 55.183 54.860 0.323 18411 478 1 . 1 1 87 87 ALA CB C 87 17.602 17.602 18.503 -0.901 18411 479 1 . 1 1 87 87 ALA H H 87 8.453 8.453 8.324 0.129 18411 480 1 . 1 1 88 88 LYS N N 88 116.535 116.535 116.710 -0.175 18411 481 1 . 1 1 88 88 LYS HA H 88 4.030 4.030 3.983 0.047 18411 482 1 . 1 1 88 88 LYS C C 88 179.562 179.562 178.113 1.449 18411 483 1 . 1 1 88 88 LYS CA C 88 59.063 59.063 58.614 0.449 18411 484 1 . 1 1 88 88 LYS CB C 88 32.466 32.466 32.056 0.410 18411 485 1 . 1 1 88 88 LYS H H 88 7.664 7.664 7.997 -0.333 18411 486 1 . 1 1 89 89 SER N N 89 113.619 113.619 113.781 -0.162 18411 487 1 . 1 1 89 89 SER HA H 89 4.271 4.271 4.414 -0.143 18411 488 1 . 1 1 89 89 SER C C 89 177.004 177.004 174.889 2.115 18411 489 1 . 1 1 89 89 SER CA C 89 61.139 61.139 60.056 1.083 18411 490 1 . 1 1 89 89 SER CB C 89 63.327 63.327 63.429 -0.102 18411 491 1 . 1 1 89 89 SER H H 89 8.417 8.417 7.669 0.748 18411 492 1 . 1 1 90 90 THR N N 90 109.601 109.601 110.461 -0.860 18411 493 1 . 1 1 90 90 THR HA H 90 4.287 4.287 4.401 -0.114 18411 494 1 . 1 1 90 90 THR C C 90 176.074 176.074 175.187 0.887 18411 495 1 . 1 1 90 90 THR CA C 90 62.926 62.926 61.253 1.673 18411 496 1 . 1 1 90 90 THR CB C 90 70.563 70.563 70.025 0.539 18411 497 1 . 1 1 90 90 THR H H 90 7.710 7.710 7.476 0.234 18411 498 1 . 1 1 91 91 GLY N N 91 110.243 110.243 110.724 -0.481 18411 499 1 . 1 1 91 91 GLY C C 91 174.815 174.815 173.786 1.029 18411 500 1 . 1 1 91 91 GLY CA C 91 46.042 46.042 45.196 0.846 18411 501 1 . 1 1 91 91 GLY H H 91 7.609 7.609 7.727 -0.118 18411 502 1 . 1 1 92 92 VAL N N 92 112.099 112.099 121.567 -9.468 18411 503 1 . 1 1 92 92 VAL HA H 92 4.309 4.309 3.612 0.697 18411 504 1 . 1 1 92 92 VAL C C 92 178.372 178.372 175.640 2.732 18411 505 1 . 1 1 92 92 VAL CA C 92 60.696 60.696 62.970 -2.274 18411 506 1 . 1 1 92 92 VAL CB C 92 32.337 32.337 30.461 1.876 18411 507 1 . 1 1 92 92 VAL H H 92 7.046 7.046 7.921 -0.875 18411 508 1 . 1 1 93 93 THR N N 93 114.289 114.289 117.731 -3.442 18411 509 1 . 1 1 93 93 THR HA H 93 4.457 4.457 4.275 0.182 18411 510 1 . 1 1 93 93 THR C C 93 175.115 175.115 173.935 1.180 18411 511 1 . 1 1 93 93 THR CA C 93 61.280 61.280 62.626 -1.346 18411 512 1 . 1 1 93 93 THR CB C 93 70.314 70.314 69.765 0.549 18411 513 1 . 1 1 93 93 THR H H 93 10.844 10.844 8.850 1.994 18411 514 1 . 1 1 94 94 TYR N N 94 122.050 122.050 120.458 1.592 18411 515 1 . 1 1 94 94 TYR HA H 94 3.740 3.740 4.048 -0.308 18411 516 1 . 1 1 94 94 TYR C C 94 171.563 171.563 173.153 -1.590 18411 517 1 . 1 1 94 94 TYR CA C 94 53.080 53.080 53.170 -0.090 18411 518 1 . 1 1 94 94 TYR CB C 94 34.195 34.195 36.605 -2.410 18411 519 1 . 1 1 94 94 TYR H H 94 6.391 6.391 6.963 -0.572 18411 520 1 . 1 1 95 95 PRO HA H 95 4.105 4.105 4.307 -0.202 18411 521 1 . 1 1 95 95 PRO C C 95 175.152 175.152 175.546 -0.394 18411 522 1 . 1 1 95 95 PRO CA C 95 63.799 63.799 62.808 0.991 18411 523 1 . 1 1 95 95 PRO CB C 95 32.919 32.919 32.387 0.532 18411 524 1 . 1 1 96 96 LEU N N 96 122.325 122.325 123.019 -0.694 18411 525 1 . 1 1 96 96 LEU HA H 96 5.143 5.143 5.174 -0.031 18411 526 1 . 1 1 96 96 LEU C C 96 176.072 176.072 176.604 -0.532 18411 527 1 . 1 1 96 96 LEU CA C 96 52.794 52.794 53.575 -0.781 18411 528 1 . 1 1 96 96 LEU CB C 96 45.567 45.567 45.138 0.429 18411 529 1 . 1 1 96 96 LEU H H 96 8.256 8.256 8.227 0.029 18411 530 1 . 1 1 97 97 GLY N N 97 107.295 107.295 107.919 -0.624 18411 531 1 . 1 1 97 97 GLY C C 97 171.546 171.546 172.315 -0.769 18411 532 1 . 1 1 97 97 GLY CA C 97 44.069 44.069 43.625 0.444 18411 533 1 . 1 1 97 97 GLY H H 97 9.177 9.177 9.087 0.090 18411 534 1 . 1 1 98 98 LEU N N 98 118.550 118.550 118.735 -0.185 18411 535 1 . 1 1 98 98 LEU HA H 98 4.872 4.872 4.936 -0.064 18411 536 1 . 1 1 98 98 LEU C C 98 176.132 176.132 175.013 1.119 18411 537 1 . 1 1 98 98 LEU CA C 98 54.460 54.460 53.756 0.704 18411 538 1 . 1 1 98 98 LEU CB C 98 43.567 43.567 43.541 0.026 18411 539 1 . 1 1 98 98 LEU H H 98 8.106 8.106 8.450 -0.344 18411 540 1 . 1 1 99 99 ASP N N 99 118.061 118.061 122.928 -4.867 18411 541 1 . 1 1 99 99 ASP HA H 99 5.403 5.403 5.082 0.321 18411 542 1 . 1 1 99 99 ASP C C 99 175.069 175.069 174.159 0.910 18411 543 1 . 1 1 99 99 ASP CA C 99 51.057 51.057 50.649 0.408 18411 544 1 . 1 1 99 99 ASP CB C 99 42.069 42.069 42.373 -0.304 18411 545 1 . 1 1 99 99 ASP H H 99 8.481 8.481 8.589 -0.108 18411 546 1 . 1 1 100 100 PRO HA H 100 4.564 4.564 4.417 0.147 18411 547 1 . 1 1 100 100 PRO C C 100 179.600 179.600 177.211 2.389 18411 548 1 . 1 1 100 100 PRO CA C 100 64.020 64.020 63.343 0.677 18411 549 1 . 1 1 100 100 PRO CB C 100 31.455 31.455 30.948 0.507 18411 550 1 . 1 1 101 101 GLY N N 101 114.780 114.780 111.922 2.858 18411 551 1 . 1 1 101 101 GLY C C 101 173.600 173.600 174.177 -0.577 18411 552 1 . 1 1 101 101 GLY CA C 101 46.175 46.175 44.966 1.209 18411 553 1 . 1 1 101 101 GLY H H 101 9.045 9.045 8.492 0.553 18411 554 1 . 1 1 102 102 ALA N N 102 117.089 117.089 121.098 -4.009 18411 555 1 . 1 1 102 102 ALA HA H 102 4.376 4.376 4.155 0.221 18411 556 1 . 1 1 102 102 ALA C C 102 175.955 175.955 177.109 -1.155 18411 557 1 . 1 1 102 102 ALA CA C 102 52.693 52.693 52.797 -0.104 18411 558 1 . 1 1 102 102 ALA CB C 102 18.256 18.256 17.352 0.904 18411 559 1 . 1 1 102 102 ALA H H 102 8.257 8.257 8.013 0.244 18411 560 1 . 1 1 103 103 ASP N N 103 118.691 118.691 118.960 -0.269 18411 561 1 . 1 1 103 103 ASP HA H 103 4.444 4.444 4.489 -0.045 18411 562 1 . 1 1 103 103 ASP C C 103 179.021 179.021 177.768 1.253 18411 563 1 . 1 1 103 103 ASP CA C 103 57.935 57.935 57.015 0.920 18411 564 1 . 1 1 103 103 ASP CB C 103 41.368 41.368 41.460 -0.092 18411 565 1 . 1 1 103 103 ASP H H 103 6.739 6.739 8.376 -1.637 18411 566 1 . 1 1 104 104 ILE N N 104 126.075 126.075 119.568 6.507 18411 567 1 . 1 1 104 104 ILE HA H 104 3.682 3.682 3.818 -0.136 18411 568 1 . 1 1 104 104 ILE C C 104 179.321 179.321 177.564 1.757 18411 569 1 . 1 1 104 104 ILE CA C 104 66.522 66.522 63.056 3.466 18411 570 1 . 1 1 104 104 ILE CB C 104 36.754 36.754 37.187 -0.433 18411 571 1 . 1 1 104 104 ILE H H 104 11.476 11.476 8.383 3.093 18411 572 1 . 1 1 105 105 PHE N N 105 124.513 124.513 119.929 4.584 18411 573 1 . 1 1 105 105 PHE HA H 105 3.646 3.646 3.780 -0.134 18411 574 1 . 1 1 105 105 PHE C C 105 177.818 177.818 176.559 1.259 18411 575 1 . 1 1 105 105 PHE CA C 105 62.948 62.948 61.325 1.623 18411 576 1 . 1 1 105 105 PHE CB C 105 38.350 38.350 39.228 -0.878 18411 577 1 . 1 1 105 105 PHE H H 105 9.473 9.473 8.982 0.491 18411 578 1 . 1 1 106 106 ALA N N 106 115.835 115.835 120.074 -4.239 18411 579 1 . 1 1 106 106 ALA HA H 106 4.927 4.927 4.607 0.320 18411 580 1 . 1 1 106 106 ALA C C 106 179.271 179.271 178.441 0.830 18411 581 1 . 1 1 106 106 ALA CA C 106 52.672 52.672 53.748 -1.077 18411 582 1 . 1 1 106 106 ALA CB C 106 19.093 19.093 18.545 0.548 18411 583 1 . 1 1 106 106 ALA H H 106 8.418 8.418 7.611 0.807 18411 584 1 . 1 1 107 107 LYS N N 107 116.823 116.823 116.389 0.434 18411 585 1 . 1 1 107 107 LYS HA H 107 4.145 4.145 4.032 0.113 18411 586 1 . 1 1 107 107 LYS C C 107 176.006 176.006 176.850 -0.844 18411 587 1 . 1 1 107 107 LYS CA C 107 57.980 57.980 57.991 -0.011 18411 588 1 . 1 1 107 107 LYS CB C 107 33.041 33.041 32.367 0.674 18411 589 1 . 1 1 107 107 LYS H H 107 8.106 8.106 7.619 0.487 18411 590 1 . 1 1 108 108 TYR N N 108 114.793 114.793 115.370 -0.577 18411 591 1 . 1 1 108 108 TYR HA H 108 4.311 4.311 4.495 -0.184 18411 592 1 . 1 1 108 108 TYR C C 108 176.010 176.010 174.213 1.797 18411 593 1 . 1 1 108 108 TYR CA C 108 59.270 59.270 59.002 0.268 18411 594 1 . 1 1 108 108 TYR CB C 108 40.965 40.965 41.149 -0.184 18411 595 1 . 1 1 108 108 TYR H H 108 7.811 7.811 7.404 0.407 18411 596 1 . 1 1 109 109 ALA N N 109 125.709 125.709 118.574 7.135 18411 597 1 . 1 1 109 109 ALA HA H 109 4.760 4.760 4.675 0.085 18411 598 1 . 1 1 109 109 ALA C C 109 174.711 174.711 174.861 -0.150 18411 599 1 . 1 1 109 109 ALA CA C 109 50.276 50.276 50.339 -0.063 18411 600 1 . 1 1 109 109 ALA CB C 109 21.924 21.924 21.036 0.888 18411 601 1 . 1 1 109 109 ALA H H 109 8.595 8.595 7.817 0.778 18411 602 1 . 1 1 110 110 LEU N N 110 117.834 117.834 119.838 -2.004 18411 603 1 . 1 1 110 110 LEU HA H 110 4.137 4.137 4.299 -0.162 18411 604 1 . 1 1 110 110 LEU C C 110 179.153 179.153 178.431 0.722 18411 605 1 . 1 1 110 110 LEU CA C 110 55.164 55.164 55.250 -0.086 18411 606 1 . 1 1 110 110 LEU CB C 110 42.292 42.292 42.313 -0.021 18411 607 1 . 1 1 110 110 LEU H H 110 7.814 7.814 8.357 -0.543 18411 608 1 . 1 1 111 111 ARG N N 111 119.787 119.787 121.568 -1.781 18411 609 1 . 1 1 111 111 ARG HA H 111 3.916 3.916 4.256 -0.340 18411 610 1 . 1 1 111 111 ARG C C 111 176.962 176.962 177.084 -0.122 18411 611 1 . 1 1 111 111 ARG CA C 111 60.538 60.538 59.406 1.132 18411 612 1 . 1 1 111 111 ARG CB C 111 30.424 30.424 29.873 0.551 18411 613 1 . 1 1 111 111 ARG H H 111 8.655 8.655 8.835 -0.180 18411 614 1 . 1 1 112 112 ASP N N 112 113.338 113.338 117.522 -4.184 18411 615 1 . 1 1 112 112 ASP HA H 112 4.662 4.662 4.640 0.022 18411 616 1 . 1 1 112 112 ASP C C 112 176.387 176.387 176.101 0.285 18411 617 1 . 1 1 112 112 ASP CA C 112 52.833 52.833 54.587 -1.754 18411 618 1 . 1 1 112 112 ASP CB C 112 40.135 40.135 40.272 -0.137 18411 619 1 . 1 1 112 112 ASP H H 112 8.205 8.205 8.430 -0.225 18411 620 1 . 1 1 113 113 ALA N N 113 122.885 122.885 122.290 0.595 18411 621 1 . 1 1 113 113 ALA HA H 113 4.347 4.347 4.453 -0.106 18411 622 1 . 1 1 113 113 ALA C C 113 177.740 177.740 177.033 0.707 18411 623 1 . 1 1 113 113 ALA CA C 113 51.983 51.983 52.094 -0.111 18411 624 1 . 1 1 113 113 ALA CB C 113 20.558 20.558 18.796 1.762 18411 625 1 . 1 1 113 113 ALA H H 113 7.919 7.919 7.809 0.110 18411 626 1 . 1 1 114 114 GLY CA C 114 45.480 45.480 44.918 0.562 18411 627 1 . 1 1 115 115 ILE N N 115 122.165 122.165 121.165 1.000 18411 628 1 . 1 1 115 115 ILE HA H 115 4.119 4.119 4.172 -0.053 18411 629 1 . 1 1 115 115 ILE CA C 115 60.788 60.788 61.348 -0.560 18411 630 1 . 1 1 115 115 ILE CB C 115 39.651 39.651 39.562 0.089 18411 631 1 . 1 1 115 115 ILE H H 115 8.253 8.253 8.319 -0.066 18411 632 1 . 1 1 116 116 THR N N 116 110.198 110.198 117.704 -7.506 18411 633 1 . 1 1 116 116 THR HA H 116 4.101 4.101 4.462 -0.361 18411 634 1 . 1 1 116 116 THR CA C 116 62.947 62.947 63.390 -0.443 18411 635 1 . 1 1 116 116 THR CB C 116 69.031 69.031 67.857 1.174 18411 636 1 . 1 1 116 116 THR H H 116 7.033 7.033 8.095 -1.062 18411 637 1 . 1 1 117 117 ARG N N 117 130.624 130.624 123.905 6.719 18411 638 1 . 1 1 117 117 ARG HA H 117 4.997 4.997 5.012 -0.015 18411 639 1 . 1 1 117 117 ARG C C 117 173.296 173.296 174.102 -0.806 18411 640 1 . 1 1 117 117 ARG CA C 117 56.468 56.468 55.052 1.416 18411 641 1 . 1 1 117 117 ARG CB C 117 31.949 31.949 34.198 -2.249 18411 642 1 . 1 1 117 117 ARG H H 117 8.250 8.250 8.212 0.038 18411 643 1 . 1 1 118 118 ASN N N 118 118.226 118.226 121.650 -3.424 18411 644 1 . 1 1 118 118 ASN HA H 118 6.127 6.127 5.416 0.711 18411 645 1 . 1 1 118 118 ASN C C 118 173.805 173.805 173.906 -0.101 18411 646 1 . 1 1 118 118 ASN CA C 118 51.759 51.759 52.821 -1.062 18411 647 1 . 1 1 118 118 ASN CB C 118 41.892 41.892 41.321 0.571 18411 648 1 . 1 1 118 118 ASN H H 118 7.730 7.730 8.885 -1.155 18411 649 1 . 1 1 119 119 VAL N N 119 120.477 120.477 124.242 -3.765 18411 650 1 . 1 1 119 119 VAL HA H 119 4.766 4.766 4.834 -0.068 18411 651 1 . 1 1 119 119 VAL C C 119 173.809 173.809 174.133 -0.324 18411 652 1 . 1 1 119 119 VAL CA C 119 60.808 60.808 61.232 -0.424 18411 653 1 . 1 1 119 119 VAL CB C 119 35.887 35.887 33.744 2.143 18411 654 1 . 1 1 119 119 VAL H H 119 9.269 9.269 9.231 0.038 18411 655 1 . 1 1 120 120 LEU N N 120 128.017 128.017 129.962 -1.945 18411 656 1 . 1 1 120 120 LEU HA H 120 5.350 5.350 4.969 0.381 18411 657 1 . 1 1 120 120 LEU C C 120 174.606 174.606 174.701 -0.095 18411 658 1 . 1 1 120 120 LEU CA C 120 53.563 53.563 53.682 -0.119 18411 659 1 . 1 1 120 120 LEU CB C 120 46.211 46.211 44.728 1.483 18411 660 1 . 1 1 120 120 LEU H H 120 8.829 8.829 8.718 0.111 18411 661 1 . 1 1 121 121 ILE N N 121 131.629 131.629 127.427 4.202 18411 662 1 . 1 1 121 121 ILE HA H 121 4.799 4.799 4.888 -0.089 18411 663 1 . 1 1 121 121 ILE C C 121 174.731 174.731 175.512 -0.781 18411 664 1 . 1 1 121 121 ILE CA C 121 60.450 60.450 59.677 0.773 18411 665 1 . 1 1 121 121 ILE CB C 121 41.651 41.651 39.644 2.007 18411 666 1 . 1 1 121 121 ILE H H 121 9.659 9.659 9.237 0.422 18411 667 1 . 1 1 122 122 ASP N N 122 124.197 124.197 126.816 -2.619 18411 668 1 . 1 1 122 122 ASP HA H 122 4.513 4.513 4.800 -0.287 18411 669 1 . 1 1 122 122 ASP C C 122 177.586 177.586 177.228 0.358 18411 670 1 . 1 1 122 122 ASP CA C 122 52.442 52.442 53.120 -0.678 18411 671 1 . 1 1 122 122 ASP CB C 122 41.476 41.476 42.721 -1.245 18411 672 1 . 1 1 122 122 ASP H H 122 9.128 9.128 8.971 0.157 18411 673 1 . 1 1 123 123 ARG N N 123 113.396 113.396 118.780 -5.384 18411 674 1 . 1 1 123 123 ARG HA H 123 4.186 4.186 4.238 -0.052 18411 675 1 . 1 1 123 123 ARG C C 123 178.717 178.717 177.621 1.096 18411 676 1 . 1 1 123 123 ARG CA C 123 58.243 58.243 58.808 -0.565 18411 677 1 . 1 1 123 123 ARG CB C 123 30.783 30.783 30.024 0.759 18411 678 1 . 1 1 123 123 ARG H H 123 7.870 7.870 8.720 -0.850 18411 679 1 . 1 1 124 124 GLU N N 124 117.427 117.427 118.051 -0.624 18411 680 1 . 1 1 124 124 GLU HA H 124 4.310 4.310 4.199 0.111 18411 681 1 . 1 1 124 124 GLU C C 124 176.034 176.034 177.064 -1.030 18411 682 1 . 1 1 124 124 GLU CA C 124 56.164 56.164 57.016 -0.852 18411 683 1 . 1 1 124 124 GLU CB C 124 30.541 30.541 30.040 0.501 18411 684 1 . 1 1 124 124 GLU H H 124 8.155 8.155 8.544 -0.389 18411 685 1 . 1 1 125 125 GLY N N 125 105.681 105.681 106.657 -0.976 18411 686 1 . 1 1 125 125 GLY C C 125 174.204 174.204 173.501 0.703 18411 687 1 . 1 1 125 125 GLY CA C 125 45.160 45.160 44.981 0.179 18411 688 1 . 1 1 125 125 GLY H H 125 8.094 8.094 8.084 0.010 18411 689 1 . 1 1 126 126 LYS N N 126 122.326 122.326 120.498 1.828 18411 690 1 . 1 1 126 126 LYS HA H 126 4.647 4.647 5.075 -0.428 18411 691 1 . 1 1 126 126 LYS C C 126 176.390 176.390 175.805 0.585 18411 692 1 . 1 1 126 126 LYS CA C 126 55.393 55.393 54.793 0.600 18411 693 1 . 1 1 126 126 LYS CB C 126 33.569 33.569 34.936 -1.367 18411 694 1 . 1 1 126 126 LYS H H 126 8.502 8.502 8.416 0.086 18411 695 1 . 1 1 127 127 ILE N N 127 121.946 121.946 123.667 -1.721 18411 696 1 . 1 1 127 127 ILE HA H 127 4.048 4.048 4.450 -0.402 18411 697 1 . 1 1 127 127 ILE C C 127 177.735 177.735 176.532 1.203 18411 698 1 . 1 1 127 127 ILE CA C 127 63.200 63.200 62.201 0.999 18411 699 1 . 1 1 127 127 ILE CB C 127 38.106 38.106 37.573 0.533 18411 700 1 . 1 1 127 127 ILE H H 127 8.739 8.739 9.086 -0.347 18411 701 1 . 1 1 128 128 VAL N N 128 122.026 122.026 123.709 -1.683 18411 702 1 . 1 1 128 128 VAL HA H 128 4.695 4.695 4.340 0.355 18411 703 1 . 1 1 128 128 VAL C C 128 175.968 175.968 175.299 0.669 18411 704 1 . 1 1 128 128 VAL CA C 128 61.535 61.535 61.692 -0.156 18411 705 1 . 1 1 128 128 VAL CB C 128 33.996 33.996 32.648 1.348 18411 706 1 . 1 1 128 128 VAL H H 128 9.397 9.397 8.742 0.655 18411 707 1 . 1 1 129 129 LYS N N 129 121.635 121.635 121.092 0.543 18411 708 1 . 1 1 129 129 LYS HA H 129 4.359 4.359 4.535 -0.176 18411 709 1 . 1 1 129 129 LYS C C 129 172.896 172.896 174.102 -1.206 18411 710 1 . 1 1 129 129 LYS CA C 129 57.322 57.322 55.316 2.006 18411 711 1 . 1 1 129 129 LYS CB C 129 36.802 36.802 34.391 2.411 18411 712 1 . 1 1 129 129 LYS H H 129 7.708 7.708 7.472 0.236 18411 713 1 . 1 1 130 130 LEU N N 130 126.219 126.219 127.460 -1.241 18411 714 1 . 1 1 130 130 LEU HA H 130 5.140 5.140 5.073 0.067 18411 715 1 . 1 1 130 130 LEU C C 130 176.956 176.956 176.521 0.435 18411 716 1 . 1 1 130 130 LEU CA C 130 53.572 53.572 53.726 -0.154 18411 717 1 . 1 1 130 130 LEU CB C 130 44.700 44.700 42.478 2.222 18411 718 1 . 1 1 130 130 LEU H H 130 8.301 8.301 8.600 -0.298 18411 719 1 . 1 1 131 131 THR N N 131 113.484 113.484 118.929 -5.445 18411 720 1 . 1 1 131 131 THR HA H 131 5.136 5.136 4.721 0.415 18411 721 1 . 1 1 131 131 THR C C 131 175.492 175.492 173.688 1.804 18411 722 1 . 1 1 131 131 THR CA C 131 61.033 61.033 60.651 0.382 18411 723 1 . 1 1 131 131 THR CB C 131 70.922 70.922 71.138 -0.216 18411 724 1 . 1 1 131 131 THR H H 131 9.298 9.298 8.780 0.518 18411 725 1 . 1 1 132 132 ARG HA H 132 5.150 5.150 4.699 0.451 18411 726 1 . 1 1 132 132 ARG CA C 132 55.585 55.585 55.210 0.375 18411 727 1 . 1 1 132 132 ARG CB C 132 33.035 33.035 30.315 2.720 18411 728 1 . 1 1 133 133 LEU N N 133 118.967 118.967 120.002 -1.035 18411 729 1 . 1 1 133 133 LEU HA H 133 4.302 4.302 4.043 0.259 18411 730 1 . 1 1 133 133 LEU CA C 133 56.200 56.200 55.772 0.428 18411 731 1 . 1 1 133 133 LEU CB C 133 41.616 41.616 40.917 0.699 18411 732 1 . 1 1 133 133 LEU H H 133 8.167 8.167 8.430 -0.263 18411 733 1 . 1 1 134 134 TYR N N 134 124.816 124.816 122.136 2.680 18411 734 1 . 1 1 134 134 TYR HA H 134 4.963 4.963 4.296 0.667 18411 735 1 . 1 1 134 134 TYR CA C 134 57.154 57.154 58.807 -1.653 18411 736 1 . 1 1 134 134 TYR CB C 134 38.948 38.948 38.031 0.917 18411 737 1 . 1 1 134 134 TYR H H 134 7.805 7.805 8.358 -0.553 18411 738 1 . 1 1 135 135 ASN HA H 135 4.415 4.415 4.564 -0.149 18411 739 1 . 1 1 135 135 ASN CA C 135 51.995 51.995 52.062 -0.068 18411 740 1 . 1 1 135 135 ASN CB C 135 40.521 40.521 40.147 0.374 18411 741 1 . 1 1 136 136 GLU HA H 136 3.694 3.694 3.544 0.150 18411 742 1 . 1 1 136 136 GLU C C 136 178.797 178.797 178.154 0.643 18411 743 1 . 1 1 136 136 GLU CA C 136 61.052 61.052 60.199 0.853 18411 744 1 . 1 1 136 136 GLU CB C 136 29.353 29.353 29.218 0.135 18411 745 1 . 1 1 137 137 GLU N N 137 120.717 120.717 118.581 2.136 18411 746 1 . 1 1 137 137 GLU HA H 137 4.176 4.176 4.059 0.117 18411 747 1 . 1 1 137 137 GLU C C 137 179.707 179.707 179.039 0.668 18411 748 1 . 1 1 137 137 GLU CA C 137 59.800 59.800 59.431 0.369 18411 749 1 . 1 1 137 137 GLU CB C 137 29.284 29.284 28.875 0.409 18411 750 1 . 1 1 137 137 GLU H H 137 8.364 8.364 8.494 -0.130 18411 751 1 . 1 1 138 138 GLU N N 138 122.448 122.448 120.355 2.093 18411 752 1 . 1 1 138 138 GLU HA H 138 4.190 4.190 4.090 0.100 18411 753 1 . 1 1 138 138 GLU C C 138 179.927 179.927 178.741 1.186 18411 754 1 . 1 1 138 138 GLU CA C 138 59.129 59.129 59.032 0.097 18411 755 1 . 1 1 138 138 GLU CB C 138 30.064 30.064 29.204 0.860 18411 756 1 . 1 1 138 138 GLU H H 138 8.448 8.448 8.232 0.216 18411 757 1 . 1 1 139 139 PHE N N 139 122.454 122.454 120.562 1.892 18411 758 1 . 1 1 139 139 PHE HA H 139 4.171 4.171 4.151 0.020 18411 759 1 . 1 1 139 139 PHE C C 139 177.370 177.370 176.750 0.620 18411 760 1 . 1 1 139 139 PHE CA C 139 62.690 62.690 61.390 1.300 18411 761 1 . 1 1 139 139 PHE CB C 139 39.579 39.579 38.949 0.630 18411 762 1 . 1 1 139 139 PHE H H 139 8.895 8.895 8.569 0.326 18411 763 1 . 1 1 140 140 ALA N N 140 120.155 120.155 121.681 -1.526 18411 764 1 . 1 1 140 140 ALA HA H 140 4.100 4.100 3.860 0.240 18411 765 1 . 1 1 140 140 ALA C C 140 181.270 181.270 179.485 1.785 18411 766 1 . 1 1 140 140 ALA CA C 140 55.203 55.203 55.465 -0.262 18411 767 1 . 1 1 140 140 ALA CB C 140 17.716 17.716 17.953 -0.237 18411 768 1 . 1 1 140 140 ALA H H 140 8.240 8.240 8.266 -0.026 18411 769 1 . 1 1 141 141 SER N N 141 114.095 114.095 115.036 -0.941 18411 770 1 . 1 1 141 141 SER HA H 141 4.267 4.267 4.150 0.117 18411 771 1 . 1 1 141 141 SER C C 141 176.895 176.895 176.590 0.305 18411 772 1 . 1 1 141 141 SER CA C 141 61.291 61.291 62.194 -0.903 18411 773 1 . 1 1 141 141 SER CB C 141 62.690 62.690 62.940 -0.250 18411 774 1 . 1 1 141 141 SER H H 141 7.835 7.835 8.111 -0.276 18411 775 1 . 1 1 142 142 LEU N N 142 126.764 126.764 122.898 3.866 18411 776 1 . 1 1 142 142 LEU HA H 142 3.908 3.908 3.991 -0.083 18411 777 1 . 1 1 142 142 LEU C C 142 176.876 176.876 178.178 -1.302 18411 778 1 . 1 1 142 142 LEU CA C 142 58.757 58.757 57.934 0.823 18411 779 1 . 1 1 142 142 LEU CB C 142 41.653 41.653 41.694 -0.041 18411 780 1 . 1 1 142 142 LEU H H 142 7.833 7.833 7.943 -0.110 18411 781 1 . 1 1 143 143 VAL N N 143 119.066 119.066 119.037 0.029 18411 782 1 . 1 1 143 143 VAL HA H 143 3.174 3.174 3.394 -0.220 18411 783 1 . 1 1 143 143 VAL C C 143 178.479 178.479 177.956 0.523 18411 784 1 . 1 1 143 143 VAL CA C 143 66.864 66.864 66.883 -0.019 18411 785 1 . 1 1 143 143 VAL CB C 143 32.350 32.350 31.161 1.189 18411 786 1 . 1 1 143 143 VAL H H 143 8.010 8.010 8.217 -0.207 18411 787 1 . 1 1 144 144 GLN N N 144 118.170 118.170 118.240 -0.070 18411 788 1 . 1 1 144 144 GLN HA H 144 4.028 4.028 3.908 0.120 18411 789 1 . 1 1 144 144 GLN C C 144 178.335 178.335 178.171 0.164 18411 790 1 . 1 1 144 144 GLN CA C 144 59.591 59.591 59.066 0.525 18411 791 1 . 1 1 144 144 GLN CB C 144 32.906 32.906 28.260 4.646 18411 792 1 . 1 1 144 144 GLN H H 144 7.935 7.935 7.817 0.118 18411 793 1 . 1 1 145 145 GLN N N 145 119.839 119.839 119.980 -0.141 18411 794 1 . 1 1 145 145 GLN HA H 145 4.029 4.029 4.023 0.006 18411 795 1 . 1 1 145 145 GLN C C 145 178.686 178.686 178.545 0.141 18411 796 1 . 1 1 145 145 GLN CA C 145 59.270 59.270 58.988 0.282 18411 797 1 . 1 1 145 145 GLN CB C 145 27.587 27.587 28.609 -1.022 18411 798 1 . 1 1 145 145 GLN H H 145 7.986 7.986 7.973 0.013 18411 799 1 . 1 1 146 146 ILE N N 146 119.900 119.900 120.326 -0.426 18411 800 1 . 1 1 146 146 ILE HA H 146 3.345 3.345 3.587 -0.242 18411 801 1 . 1 1 146 146 ILE C C 146 177.393 177.393 177.988 -0.595 18411 802 1 . 1 1 146 146 ILE CA C 146 66.902 66.902 65.029 1.873 18411 803 1 . 1 1 146 146 ILE CB C 146 38.281 38.281 37.359 0.922 18411 804 1 . 1 1 146 146 ILE H H 146 8.171 8.171 8.570 -0.399 18411 805 1 . 1 1 147 147 ASN N N 147 116.163 116.163 117.878 -1.715 18411 806 1 . 1 1 147 147 ASN HA H 147 4.196 4.196 4.313 -0.117 18411 807 1 . 1 1 147 147 ASN C C 147 179.035 179.035 177.808 1.227 18411 808 1 . 1 1 147 147 ASN CA C 147 56.348 56.348 56.139 0.209 18411 809 1 . 1 1 147 147 ASN CB C 147 38.062 38.062 37.949 0.113 18411 810 1 . 1 1 147 147 ASN H H 147 7.896 7.896 8.176 -0.280 18411 811 1 . 1 1 148 148 GLU N N 148 118.645 118.645 120.366 -1.721 18411 812 1 . 1 1 148 148 GLU HA H 148 3.970 3.970 4.153 -0.183 18411 813 1 . 1 1 148 148 GLU C C 148 179.964 179.964 178.579 1.385 18411 814 1 . 1 1 148 148 GLU CA C 148 59.340 59.340 58.641 0.699 18411 815 1 . 1 1 148 148 GLU CB C 148 29.572 29.572 29.417 0.155 18411 816 1 . 1 1 148 148 GLU H H 148 8.311 8.311 7.839 0.472 18411 817 1 . 1 1 149 149 MET N N 149 119.218 119.218 118.162 1.056 18411 818 1 . 1 1 149 149 MET HA H 149 4.140 4.140 4.211 -0.071 18411 819 1 . 1 1 149 149 MET C C 149 179.419 179.419 177.926 1.493 18411 820 1 . 1 1 149 149 MET CA C 149 59.040 59.040 58.048 0.992 18411 821 1 . 1 1 149 149 MET CB C 149 35.293 35.293 32.302 2.991 18411 822 1 . 1 1 149 149 MET H H 149 8.527 8.527 7.972 0.556 18411 823 1 . 1 1 150 150 LEU N N 150 118.078 118.078 115.290 2.788 18411 824 1 . 1 1 150 150 LEU HA H 150 4.245 4.245 4.244 0.001 18411 825 1 . 1 1 150 150 LEU C C 150 178.141 178.141 178.346 -0.205 18411 826 1 . 1 1 150 150 LEU CA C 150 55.824 55.824 56.010 -0.185 18411 827 1 . 1 1 150 150 LEU CB C 150 41.533 41.533 41.214 0.319 18411 828 1 . 1 1 150 150 LEU H H 150 7.917 7.917 7.672 0.245 18411 829 1 . 1 1 151 151 LYS N N 151 120.096 120.096 117.771 2.325 18411 830 1 . 1 1 151 151 LYS HA H 151 4.181 4.181 4.307 -0.126 18411 831 1 . 1 1 151 151 LYS C C 151 177.029 177.029 177.234 -0.205 18411 832 1 . 1 1 151 151 LYS CA C 151 57.490 57.490 56.405 1.085 18411 833 1 . 1 1 151 151 LYS CB C 151 32.921 32.921 33.481 -0.560 18411 834 1 . 1 1 151 151 LYS H H 151 7.466 7.466 7.680 -0.214 18411 835 1 . 1 1 152 152 GLU N N 152 120.188 120.188 119.078 1.110 18411 836 1 . 1 1 152 152 GLU HA H 152 4.264 4.264 3.911 0.353 18411 837 1 . 1 1 152 152 GLU C C 152 177.259 177.259 176.606 0.653 18411 838 1 . 1 1 152 152 GLU CA C 152 57.070 57.070 57.778 -0.708 18411 839 1 . 1 1 152 152 GLU CB C 152 30.385 30.385 28.839 1.546 18411 840 1 . 1 1 152 152 GLU H H 152 7.820 7.820 8.434 -0.614 18411 841 1 . 1 1 153 153 GLY N N 153 109.046 109.046 108.942 0.104 18411 842 1 . 1 1 153 153 GLY C C 153 174.204 174.204 174.364 -0.160 18411 843 1 . 1 1 153 153 GLY CA C 153 45.327 45.327 45.217 0.110 18411 844 1 . 1 1 153 153 GLY H H 153 8.278 8.278 8.299 -0.021 18411 845 1 . 1 1 158 158 HIS HA H 158 4.606 4.606 4.568 0.038 18411 846 1 . 1 1 158 158 HIS C C 158 174.423 174.423 174.196 0.227 18411 847 1 . 1 1 158 158 HIS CA C 158 56.235 56.235 56.355 -0.120 18411 848 1 . 1 1 158 158 HIS CB C 158 31.028 31.028 30.308 0.720 18411 stop_ save_