data_19881 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19881 _Entry.PDB_ID 2MN7 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 19881 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLY N N 2 109.485 109.485 108.657 0.828 19881 2 1 1 . 1 1 2 2 GLY C C 2 174.370 174.370 175.166 -0.796 19881 3 1 1 . 1 1 2 2 GLY CA C 2 46.411 46.411 45.261 1.151 19881 4 1 1 . 1 1 2 2 GLY H H 2 8.713 8.713 8.693 0.020 19881 5 1 1 . 1 1 3 3 GLY N N 3 108.308 108.308 106.339 1.969 19881 6 1 1 . 1 1 3 3 GLY C C 3 173.840 173.840 173.584 0.256 19881 7 1 1 . 1 1 3 3 GLY CA C 3 45.276 45.276 44.800 0.476 19881 8 1 1 . 1 1 3 3 GLY H H 3 8.326 8.326 8.177 0.149 19881 9 1 1 . 1 1 4 4 ILE N N 4 120.682 120.682 121.753 -1.071 19881 10 1 1 . 1 1 4 4 ILE HA H 4 4.330 4.330 4.509 -0.179 19881 11 1 1 . 1 1 4 4 ILE CA C 4 60.610 60.610 60.711 -0.101 19881 12 1 1 . 1 1 4 4 ILE CB C 4 39.100 39.100 38.415 0.685 19881 13 1 1 . 1 1 4 4 ILE H H 4 7.605 7.605 7.764 -0.159 19881 14 1 1 . 1 1 5 5 SER N N 5 121.157 121.157 125.102 -3.945 19881 15 1 1 . 1 1 5 5 SER HA H 5 4.676 4.676 4.648 0.028 19881 16 1 1 . 1 1 5 5 SER C C 5 175.720 175.720 174.597 1.123 19881 17 1 1 . 1 1 5 5 SER CA C 5 57.000 57.000 59.838 -2.838 19881 18 1 1 . 1 1 5 5 SER CB C 5 65.760 65.760 64.121 1.639 19881 19 1 1 . 1 1 5 5 SER H H 5 8.167 8.167 8.766 -0.599 19881 20 1 1 . 1 1 6 6 ILE N N 6 123.227 123.227 120.974 2.253 19881 21 1 1 . 1 1 6 6 ILE HA H 6 3.771 3.771 4.161 -0.390 19881 22 1 1 . 1 1 6 6 ILE C C 6 176.660 176.660 176.742 -0.082 19881 23 1 1 . 1 1 6 6 ILE CA C 6 63.890 63.890 62.007 1.883 19881 24 1 1 . 1 1 6 6 ILE CB C 6 37.173 37.173 38.167 -0.994 19881 25 1 1 . 1 1 6 6 ILE H H 6 9.080 9.080 8.346 0.734 19881 26 1 1 . 1 1 7 7 TRP N N 7 119.286 119.286 120.853 -1.567 19881 27 1 1 . 1 1 7 7 TRP HA H 7 4.365 4.365 4.235 0.130 19881 28 1 1 . 1 1 7 7 TRP C C 7 177.800 177.800 178.317 -0.517 19881 29 1 1 . 1 1 7 7 TRP CA C 7 59.411 59.411 61.547 -2.136 19881 30 1 1 . 1 1 7 7 TRP CB C 7 29.263 29.263 29.099 0.164 19881 31 1 1 . 1 1 7 7 TRP H H 7 7.536 7.536 8.095 -0.559 19881 32 1 1 . 1 1 8 8 GLN N N 8 117.821 117.821 117.980 -0.159 19881 33 1 1 . 1 1 8 8 GLN HA H 8 3.732 3.732 4.109 -0.377 19881 34 1 1 . 1 1 8 8 GLN C C 8 177.765 177.765 178.390 -0.625 19881 35 1 1 . 1 1 8 8 GLN CA C 8 59.367 59.367 59.778 -0.411 19881 36 1 1 . 1 1 8 8 GLN CB C 8 28.094 28.094 27.649 0.445 19881 37 1 1 . 1 1 8 8 GLN H H 8 7.132 7.132 8.732 -1.600 19881 38 1 1 . 1 1 9 9 LEU N N 9 118.175 118.175 119.781 -1.606 19881 39 1 1 . 1 1 9 9 LEU HA H 9 3.916 3.916 4.079 -0.163 19881 40 1 1 . 1 1 9 9 LEU C C 9 178.096 178.096 179.207 -1.111 19881 41 1 1 . 1 1 9 9 LEU CA C 9 58.057 58.057 57.995 0.062 19881 42 1 1 . 1 1 9 9 LEU CB C 9 41.803 41.803 40.763 1.040 19881 43 1 1 . 1 1 9 9 LEU H H 9 7.680 7.680 8.251 -0.571 19881 44 1 1 . 1 1 10 10 LEU N N 10 118.370 118.370 120.654 -2.284 19881 45 1 1 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.878 0.076 19881 46 1 1 . 1 1 10 10 LEU C C 10 177.930 177.930 179.272 -1.342 19881 47 1 1 . 1 1 10 10 LEU CA C 10 58.215 58.215 58.477 -0.262 19881 48 1 1 . 1 1 10 10 LEU CB C 10 41.770 41.770 41.772 -0.002 19881 49 1 1 . 1 1 10 10 LEU H H 10 8.182 8.182 8.215 -0.033 19881 50 1 1 . 1 1 11 11 ILE N N 11 117.907 117.907 119.635 -1.728 19881 51 1 1 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.731 -0.115 19881 52 1 1 . 1 1 11 11 ILE C C 11 177.370 177.370 178.041 -0.671 19881 53 1 1 . 1 1 11 11 ILE CA C 11 65.245 65.245 65.753 -0.508 19881 54 1 1 . 1 1 11 11 ILE CB C 11 37.290 37.290 37.906 -0.616 19881 55 1 1 . 1 1 11 11 ILE H H 11 7.676 7.676 7.871 -0.195 19881 56 1 1 . 1 1 12 12 ILE N N 12 118.851 118.851 120.403 -1.552 19881 57 1 1 . 1 1 12 12 ILE HA H 12 3.525 3.525 3.593 -0.068 19881 58 1 1 . 1 1 12 12 ILE C C 12 176.908 176.908 177.828 -0.920 19881 59 1 1 . 1 1 12 12 ILE CA C 12 65.463 65.463 65.842 -0.379 19881 60 1 1 . 1 1 12 12 ILE CB C 12 37.450 37.450 37.582 -0.132 19881 61 1 1 . 1 1 12 12 ILE H H 12 7.756 7.756 8.373 -0.617 19881 62 1 1 . 1 1 13 13 ALA N N 13 121.114 121.114 122.651 -1.537 19881 63 1 1 . 1 1 13 13 ALA HA H 13 3.822 3.822 4.043 -0.221 19881 64 1 1 . 1 1 13 13 ALA C C 13 178.605 178.605 179.694 -1.089 19881 65 1 1 . 1 1 13 13 ALA CA C 13 55.753 55.753 55.443 0.310 19881 66 1 1 . 1 1 13 13 ALA CB C 13 17.799 17.799 18.114 -0.315 19881 67 1 1 . 1 1 13 13 ALA H H 13 8.367 8.367 8.683 -0.316 19881 68 1 1 . 1 1 14 14 VAL N N 14 116.560 116.560 119.754 -3.194 19881 69 1 1 . 1 1 14 14 VAL HA H 14 3.418 3.418 3.685 -0.267 19881 70 1 1 . 1 1 14 14 VAL C C 14 177.236 177.236 177.966 -0.730 19881 71 1 1 . 1 1 14 14 VAL CA C 14 67.304 67.304 66.504 0.799 19881 72 1 1 . 1 1 14 14 VAL CB C 14 31.360 31.360 31.579 -0.219 19881 73 1 1 . 1 1 14 14 VAL H H 14 8.164 8.164 8.072 0.092 19881 74 1 1 . 1 1 15 15 ILE N N 15 119.573 119.573 120.196 -0.623 19881 75 1 1 . 1 1 15 15 ILE HA H 15 3.517 3.517 3.714 -0.197 19881 76 1 1 . 1 1 15 15 ILE C C 15 177.490 177.490 178.151 -0.661 19881 77 1 1 . 1 1 15 15 ILE CA C 15 65.828 65.828 65.808 0.021 19881 78 1 1 . 1 1 15 15 ILE CB C 15 37.364 37.364 37.715 -0.351 19881 79 1 1 . 1 1 15 15 ILE H H 15 8.045 8.045 8.113 -0.068 19881 80 1 1 . 1 1 16 16 VAL N N 16 118.777 118.777 120.055 -1.278 19881 81 1 1 . 1 1 16 16 VAL HA H 16 3.597 3.597 3.883 -0.286 19881 82 1 1 . 1 1 16 16 VAL C C 16 177.993 177.993 178.370 -0.377 19881 83 1 1 . 1 1 16 16 VAL CA C 16 67.680 67.680 67.203 0.478 19881 84 1 1 . 1 1 16 16 VAL CB C 16 31.240 31.240 31.192 0.048 19881 85 1 1 . 1 1 16 16 VAL H H 16 8.481 8.481 8.290 0.191 19881 86 1 1 . 1 1 17 17 VAL N N 17 120.072 120.072 119.724 0.348 19881 87 1 1 . 1 1 17 17 VAL HA H 17 3.602 3.602 3.631 -0.029 19881 88 1 1 . 1 1 17 17 VAL C C 17 178.199 178.199 178.184 0.015 19881 89 1 1 . 1 1 17 17 VAL CA C 17 67.426 67.426 66.892 0.534 19881 90 1 1 . 1 1 17 17 VAL CB C 17 31.187 31.187 31.732 -0.544 19881 91 1 1 . 1 1 17 17 VAL H H 17 8.329 8.329 8.076 0.253 19881 92 1 1 . 1 1 18 18 LEU N N 18 120.167 120.167 118.644 1.523 19881 93 1 1 . 1 1 18 18 LEU HA H 18 4.012 4.012 4.121 -0.109 19881 94 1 1 . 1 1 18 18 LEU C C 18 178.985 178.985 178.933 0.052 19881 95 1 1 . 1 1 18 18 LEU CA C 18 58.130 58.130 58.233 -0.103 19881 96 1 1 . 1 1 18 18 LEU CB C 18 42.045 42.045 41.108 0.937 19881 97 1 1 . 1 1 18 18 LEU H H 18 8.413 8.413 7.856 0.557 19881 98 1 1 . 1 1 19 19 LEU N N 19 118.603 118.603 118.638 -0.035 19881 99 1 1 . 1 1 19 19 LEU HA H 19 3.984 3.984 4.145 -0.161 19881 100 1 1 . 1 1 19 19 LEU C C 19 178.510 178.510 178.350 0.160 19881 101 1 1 . 1 1 19 19 LEU CA C 19 57.831 57.831 57.741 0.090 19881 102 1 1 . 1 1 19 19 LEU CB C 19 42.406 42.406 41.569 0.837 19881 103 1 1 . 1 1 19 19 LEU H H 19 8.420 8.420 8.289 0.131 19881 104 1 1 . 1 1 20 20 PHE N N 20 116.154 116.154 118.500 -2.346 19881 105 1 1 . 1 1 20 20 PHE HA H 20 4.508 4.508 4.371 0.137 19881 106 1 1 . 1 1 20 20 PHE C C 20 178.062 178.062 177.298 0.764 19881 107 1 1 . 1 1 20 20 PHE CA C 20 60.202 60.202 60.616 -0.414 19881 108 1 1 . 1 1 20 20 PHE CB C 20 40.126 40.126 40.153 -0.027 19881 109 1 1 . 1 1 20 20 PHE H H 20 8.451 8.451 8.395 0.056 19881 110 1 1 . 1 1 21 21 GLY N N 21 108.705 108.705 104.806 3.899 19881 111 1 1 . 1 1 21 21 GLY C C 21 173.997 173.997 174.298 -0.301 19881 112 1 1 . 1 1 21 21 GLY CA C 21 46.189 46.189 45.217 0.973 19881 113 1 1 . 1 1 21 21 GLY H H 21 8.754 8.754 8.054 0.700 19881 114 1 1 . 1 1 22 22 THR N N 22 111.556 111.556 110.320 1.236 19881 115 1 1 . 1 1 22 22 THR HA H 22 4.080 4.080 3.891 0.189 19881 116 1 1 . 1 1 22 22 THR CA C 22 64.722 64.722 63.055 1.667 19881 117 1 1 . 1 1 22 22 THR CB C 22 69.150 69.150 67.811 1.339 19881 118 1 1 . 1 1 22 22 THR H H 22 8.190 8.190 7.932 0.258 19881 119 1 1 . 1 1 23 23 LYS N N 23 121.733 121.733 120.373 1.360 19881 120 1 1 . 1 1 23 23 LYS HA H 23 4.175 4.175 4.202 -0.027 19881 121 1 1 . 1 1 23 23 LYS C C 23 178.622 178.622 176.891 1.731 19881 122 1 1 . 1 1 23 23 LYS CA C 23 58.378 58.378 58.239 0.140 19881 123 1 1 . 1 1 23 23 LYS CB C 23 31.639 31.639 32.822 -1.183 19881 124 1 1 . 1 1 23 23 LYS H H 23 8.165 8.165 8.430 -0.265 19881 125 1 1 . 1 1 24 24 LYS N N 24 118.854 118.854 121.868 -3.014 19881 126 1 1 . 1 1 24 24 LYS HA H 24 4.246 4.246 4.206 0.040 19881 127 1 1 . 1 1 24 24 LYS C C 24 177.705 177.705 178.770 -1.065 19881 128 1 1 . 1 1 24 24 LYS CA C 24 57.026 57.026 59.350 -2.324 19881 129 1 1 . 1 1 24 24 LYS CB C 24 32.471 32.471 31.316 1.155 19881 130 1 1 . 1 1 24 24 LYS H H 24 8.144 8.144 8.317 -0.173 19881 131 1 1 . 1 1 25 25 LEU N N 25 118.583 118.583 119.160 -0.577 19881 132 1 1 . 1 1 25 25 LEU HA H 25 4.148 4.148 4.086 0.062 19881 133 1 1 . 1 1 25 25 LEU C C 25 177.815 177.815 178.958 -1.143 19881 134 1 1 . 1 1 25 25 LEU CA C 25 56.511 56.511 58.186 -1.675 19881 135 1 1 . 1 1 25 25 LEU CB C 25 41.955 41.955 40.708 1.247 19881 136 1 1 . 1 1 25 25 LEU H H 25 7.820 7.820 8.112 -0.292 19881 137 1 1 . 1 1 26 26 GLY N N 26 106.160 106.160 103.069 3.091 19881 138 1 1 . 1 1 26 26 GLY C C 26 175.013 175.013 175.252 -0.239 19881 139 1 1 . 1 1 26 26 GLY CA C 26 46.414 46.414 46.744 -0.330 19881 140 1 1 . 1 1 26 26 GLY H H 26 8.146 8.146 8.371 -0.225 19881 141 1 1 . 1 1 27 27 SER N N 27 116.361 116.361 115.373 0.988 19881 142 1 1 . 1 1 27 27 SER HA H 27 4.441 4.441 4.558 -0.117 19881 143 1 1 . 1 1 27 27 SER C C 27 175.407 175.407 175.345 0.062 19881 144 1 1 . 1 1 27 27 SER CA C 27 59.665 59.665 60.809 -1.144 19881 145 1 1 . 1 1 27 27 SER CB C 27 63.672 63.672 64.225 -0.553 19881 146 1 1 . 1 1 27 27 SER H H 27 8.046 8.046 7.654 0.392 19881 147 1 1 . 1 1 28 28 ILE N N 28 121.108 121.108 115.456 5.652 19881 148 1 1 . 1 1 28 28 ILE HA H 28 4.090 4.090 4.448 -0.358 19881 149 1 1 . 1 1 28 28 ILE C C 28 176.733 176.733 177.122 -0.389 19881 150 1 1 . 1 1 28 28 ILE CA C 28 62.883 62.883 62.657 0.226 19881 151 1 1 . 1 1 28 28 ILE CB C 28 38.348 38.348 38.413 -0.065 19881 152 1 1 . 1 1 28 28 ILE H H 28 7.847 7.847 8.805 -0.958 19881 153 1 1 . 1 1 29 29 GLY N N 29 109.304 109.304 109.021 0.283 19881 154 1 1 . 1 1 29 29 GLY C C 29 174.534 174.534 176.598 -2.064 19881 155 1 1 . 1 1 29 29 GLY CA C 29 46.278 46.278 47.471 -1.193 19881 156 1 1 . 1 1 29 29 GLY H H 29 8.329 8.329 8.141 0.188 19881 157 1 1 . 1 1 30 30 SER N N 30 115.814 115.814 115.939 -0.125 19881 158 1 1 . 1 1 30 30 SER HA H 30 4.301 4.301 4.262 0.039 19881 159 1 1 . 1 1 30 30 SER C C 30 175.445 175.445 175.909 -0.464 19881 160 1 1 . 1 1 30 30 SER CA C 30 60.378 60.378 61.314 -0.936 19881 161 1 1 . 1 1 30 30 SER CB C 30 63.575 63.575 63.288 0.288 19881 162 1 1 . 1 1 30 30 SER H H 30 8.026 8.026 8.241 -0.215 19881 163 1 1 . 1 1 31 31 ASP N N 31 122.351 122.351 120.820 1.531 19881 164 1 1 . 1 1 31 31 ASP HA H 31 4.648 4.648 4.720 -0.072 19881 165 1 1 . 1 1 31 31 ASP C C 31 177.501 177.501 178.225 -0.724 19881 166 1 1 . 1 1 31 31 ASP CA C 31 55.138 55.138 56.143 -1.005 19881 167 1 1 . 1 1 31 31 ASP CB C 31 40.847 40.847 41.382 -0.535 19881 168 1 1 . 1 1 31 31 ASP H H 31 8.261 8.261 7.748 0.513 19881 169 1 1 . 1 1 32 32 LEU N N 32 123.303 123.303 121.421 1.882 19881 170 1 1 . 1 1 32 32 LEU HA H 32 4.146 4.146 4.344 -0.198 19881 171 1 1 . 1 1 32 32 LEU C C 32 178.653 178.653 178.859 -0.206 19881 172 1 1 . 1 1 32 32 LEU CA C 32 57.539 57.539 57.497 0.042 19881 173 1 1 . 1 1 32 32 LEU CB C 32 42.175 42.175 41.406 0.769 19881 174 1 1 . 1 1 32 32 LEU H H 32 8.400 8.400 8.742 -0.342 19881 175 1 1 . 1 1 33 33 GLY N N 33 107.221 107.221 106.738 0.483 19881 176 1 1 . 1 1 33 33 GLY C C 33 175.646 175.646 175.548 0.098 19881 177 1 1 . 1 1 33 33 GLY CA C 33 47.342 47.342 47.355 -0.013 19881 178 1 1 . 1 1 33 33 GLY H H 33 8.582 8.582 8.592 -0.010 19881 179 1 1 . 1 1 34 34 ALA N N 34 123.643 123.643 123.752 -0.109 19881 180 1 1 . 1 1 34 34 ALA HA H 34 4.165 4.165 4.121 0.044 19881 181 1 1 . 1 1 34 34 ALA C C 34 180.302 180.302 179.787 0.515 19881 182 1 1 . 1 1 34 34 ALA CA C 34 54.422 54.422 54.859 -0.437 19881 183 1 1 . 1 1 34 34 ALA CB C 34 18.645 18.645 18.262 0.384 19881 184 1 1 . 1 1 34 34 ALA H H 34 8.012 8.012 7.721 0.291 19881 185 1 1 . 1 1 35 35 SER N N 35 115.942 115.942 115.740 0.202 19881 186 1 1 . 1 1 35 35 SER HA H 35 4.342 4.342 4.182 0.160 19881 187 1 1 . 1 1 35 35 SER C C 35 176.430 176.430 176.893 -0.463 19881 188 1 1 . 1 1 35 35 SER CA C 35 61.552 61.552 61.703 -0.152 19881 189 1 1 . 1 1 35 35 SER CB C 35 63.404 63.404 63.146 0.258 19881 190 1 1 . 1 1 35 35 SER H H 35 8.021 8.021 7.679 0.342 19881 191 1 1 . 1 1 36 36 ILE N N 36 121.829 121.829 121.832 -0.003 19881 192 1 1 . 1 1 36 36 ILE HA H 36 3.855 3.855 3.824 0.031 19881 193 1 1 . 1 1 36 36 ILE C C 36 177.310 177.310 176.974 0.336 19881 194 1 1 . 1 1 36 36 ILE CA C 36 64.467 64.467 63.423 1.044 19881 195 1 1 . 1 1 36 36 ILE CB C 36 37.790 37.790 37.593 0.197 19881 196 1 1 . 1 1 36 36 ILE H H 36 8.170 8.170 7.926 0.244 19881 197 1 1 . 1 1 37 37 LYS N N 37 120.804 120.804 121.716 -0.912 19881 198 1 1 . 1 1 37 37 LYS HA H 37 3.998 3.998 3.973 0.025 19881 199 1 1 . 1 1 37 37 LYS C C 37 178.932 178.932 179.021 -0.089 19881 200 1 1 . 1 1 37 37 LYS CA C 37 59.665 59.665 60.295 -0.631 19881 201 1 1 . 1 1 37 37 LYS CB C 37 32.400 32.400 31.765 0.635 19881 202 1 1 . 1 1 37 37 LYS H H 37 8.039 8.039 8.203 -0.164 19881 203 1 1 . 1 1 38 38 GLY N N 38 107.479 107.479 107.389 0.090 19881 204 1 1 . 1 1 38 38 GLY C C 38 176.690 176.690 176.046 0.644 19881 205 1 1 . 1 1 38 38 GLY CA C 38 46.426 46.426 46.838 -0.412 19881 206 1 1 . 1 1 38 38 GLY H H 38 8.145 8.145 8.211 -0.066 19881 207 1 1 . 1 1 39 39 PHE N N 39 122.726 122.726 123.118 -0.392 19881 208 1 1 . 1 1 39 39 PHE HA H 39 4.389 4.389 4.297 0.092 19881 209 1 1 . 1 1 39 39 PHE C C 39 176.506 176.506 177.090 -0.584 19881 210 1 1 . 1 1 39 39 PHE CA C 39 60.235 60.235 61.026 -0.791 19881 211 1 1 . 1 1 39 39 PHE CB C 39 39.354 39.354 39.495 -0.141 19881 212 1 1 . 1 1 39 39 PHE H H 39 8.078 8.078 7.965 0.113 19881 213 1 1 . 1 1 40 40 LYS N N 40 119.668 119.668 119.336 0.332 19881 214 1 1 . 1 1 40 40 LYS HA H 40 3.925 3.925 4.004 -0.079 19881 215 1 1 . 1 1 40 40 LYS C C 40 178.275 178.275 178.781 -0.506 19881 216 1 1 . 1 1 40 40 LYS CA C 40 58.940 58.940 59.951 -1.011 19881 217 1 1 . 1 1 40 40 LYS CB C 40 32.523 32.523 32.402 0.121 19881 218 1 1 . 1 1 40 40 LYS H H 40 8.192 8.192 9.067 -0.875 19881 219 1 1 . 1 1 41 41 LYS N N 41 120.878 120.878 119.391 1.487 19881 220 1 1 . 1 1 41 41 LYS HA H 41 4.109 4.109 4.019 0.090 19881 221 1 1 . 1 1 41 41 LYS C C 41 177.740 177.740 178.685 -0.945 19881 222 1 1 . 1 1 41 41 LYS CA C 41 58.105 58.105 59.403 -1.298 19881 223 1 1 . 1 1 41 41 LYS CB C 41 32.516 32.516 32.425 0.091 19881 224 1 1 . 1 1 41 41 LYS H H 41 7.997 7.997 8.286 -0.289 19881 225 1 1 . 1 1 42 42 ALA N N 42 122.719 122.719 121.677 1.042 19881 226 1 1 . 1 1 42 42 ALA HA H 42 4.213 4.213 4.071 0.142 19881 227 1 1 . 1 1 42 42 ALA C C 42 178.450 178.450 179.359 -0.909 19881 228 1 1 . 1 1 42 42 ALA CA C 42 53.586 53.586 54.813 -1.227 19881 229 1 1 . 1 1 42 42 ALA CB C 42 18.919 18.919 18.530 0.389 19881 230 1 1 . 1 1 42 42 ALA H H 42 7.900 7.900 7.716 0.184 19881 231 1 1 . 1 1 43 43 MET N N 43 115.999 115.999 114.592 1.407 19881 232 1 1 . 1 1 43 43 MET HA H 43 4.415 4.415 4.448 -0.033 19881 233 1 1 . 1 1 43 43 MET C C 43 176.270 176.270 178.047 -1.777 19881 234 1 1 . 1 1 43 43 MET CA C 43 55.488 55.488 56.407 -0.919 19881 235 1 1 . 1 1 43 43 MET CB C 43 33.279 33.279 32.903 0.376 19881 236 1 1 . 1 1 43 43 MET H H 43 7.757 7.757 7.770 -0.013 19881 237 1 1 . 1 1 44 44 SER N N 44 115.396 115.396 116.911 -1.515 19881 238 1 1 . 1 1 44 44 SER HA H 44 4.463 4.463 4.156 0.307 19881 239 1 1 . 1 1 44 44 SER C C 44 173.950 173.950 174.904 -0.954 19881 240 1 1 . 1 1 44 44 SER CA C 44 58.536 58.536 61.412 -2.876 19881 241 1 1 . 1 1 44 44 SER CB C 44 64.380 64.380 63.425 0.955 19881 242 1 1 . 1 1 44 44 SER H H 44 7.821 7.821 8.210 -0.389 19881 243 1 1 . 1 1 45 45 ASP N N 45 123.208 123.208 119.446 3.762 19881 244 1 1 . 1 1 45 45 ASP HA H 45 4.576 4.576 4.554 0.022 19881 245 1 1 . 1 1 45 45 ASP C C 45 175.990 175.990 175.487 0.503 19881 246 1 1 . 1 1 45 45 ASP CA C 45 54.264 54.264 55.179 -0.915 19881 247 1 1 . 1 1 45 45 ASP CB C 45 41.410 41.410 41.986 -0.577 19881 248 1 1 . 1 1 45 45 ASP H H 45 8.293 8.293 7.445 0.848 19881 249 1 1 . 1 1 46 46 ASP N N 46 121.430 121.430 119.356 2.074 19881 250 1 1 . 1 1 46 46 ASP HA H 46 4.542 4.542 4.300 0.242 19881 251 1 1 . 1 1 46 46 ASP C C 46 176.060 176.060 174.694 1.366 19881 252 1 1 . 1 1 46 46 ASP CA C 46 54.250 54.250 55.318 -1.067 19881 253 1 1 . 1 1 46 46 ASP CB C 46 41.500 41.500 40.027 1.473 19881 254 1 1 . 1 1 46 46 ASP H H 46 8.239 8.239 8.533 -0.294 19881 255 1 1 . 1 1 47 47 GLU N N 47 123.031 123.031 117.597 5.434 19881 256 1 1 . 1 1 47 47 GLU HA H 47 4.528 4.528 4.680 -0.152 19881 257 1 1 . 1 1 47 47 GLU CA C 47 54.651 54.651 54.146 0.505 19881 258 1 1 . 1 1 47 47 GLU CB C 47 29.910 29.910 32.337 -2.427 19881 259 1 1 . 1 1 47 47 GLU H H 47 8.163 8.163 8.280 -0.117 19881 260 1 2 . 1 1 2 2 GLY N N 2 109.485 109.485 107.840 1.645 19881 261 1 2 . 1 1 2 2 GLY C C 2 174.370 174.370 174.127 0.243 19881 262 1 2 . 1 1 2 2 GLY CA C 2 46.411 46.411 45.752 0.659 19881 263 1 2 . 1 1 2 2 GLY H H 2 8.713 8.713 8.426 0.287 19881 264 1 2 . 1 1 3 3 GLY N N 3 108.308 108.308 107.806 0.502 19881 265 1 2 . 1 1 3 3 GLY C C 3 173.840 173.840 175.618 -1.778 19881 266 1 2 . 1 1 3 3 GLY CA C 3 45.276 45.276 44.727 0.549 19881 267 1 2 . 1 1 3 3 GLY H H 3 8.326 8.326 8.014 0.312 19881 268 1 2 . 1 1 4 4 ILE N N 4 120.682 120.682 120.490 0.192 19881 269 1 2 . 1 1 4 4 ILE HA H 4 4.330 4.330 3.935 0.395 19881 270 1 2 . 1 1 4 4 ILE CA C 4 60.610 60.610 63.567 -2.957 19881 271 1 2 . 1 1 4 4 ILE CB C 4 39.100 39.100 38.243 0.857 19881 272 1 2 . 1 1 4 4 ILE H H 4 7.605 7.605 8.116 -0.511 19881 273 1 2 . 1 1 5 5 SER N N 5 121.157 121.157 110.222 10.935 19881 274 1 2 . 1 1 5 5 SER HA H 5 4.676 4.676 4.545 0.131 19881 275 1 2 . 1 1 5 5 SER C C 5 175.720 175.720 174.706 1.014 19881 276 1 2 . 1 1 5 5 SER CA C 5 57.000 57.000 57.608 -0.608 19881 277 1 2 . 1 1 5 5 SER CB C 5 65.760 65.760 64.308 1.452 19881 278 1 2 . 1 1 5 5 SER H H 5 8.167 8.167 7.573 0.594 19881 279 1 2 . 1 1 6 6 ILE N N 6 123.227 123.227 123.722 -0.495 19881 280 1 2 . 1 1 6 6 ILE HA H 6 3.771 3.771 4.245 -0.474 19881 281 1 2 . 1 1 6 6 ILE C C 6 176.660 176.660 176.698 -0.038 19881 282 1 2 . 1 1 6 6 ILE CA C 6 63.890 63.890 62.801 1.089 19881 283 1 2 . 1 1 6 6 ILE CB C 6 37.173 37.173 38.529 -1.356 19881 284 1 2 . 1 1 6 6 ILE H H 6 9.080 9.080 8.483 0.597 19881 285 1 2 . 1 1 7 7 TRP N N 7 119.286 119.286 121.053 -1.767 19881 286 1 2 . 1 1 7 7 TRP HA H 7 4.365 4.365 4.315 0.050 19881 287 1 2 . 1 1 7 7 TRP C C 7 177.800 177.800 177.774 0.026 19881 288 1 2 . 1 1 7 7 TRP CA C 7 59.411 59.411 60.879 -1.468 19881 289 1 2 . 1 1 7 7 TRP CB C 7 29.263 29.263 28.826 0.437 19881 290 1 2 . 1 1 7 7 TRP H H 7 7.536 7.536 8.344 -0.808 19881 291 1 2 . 1 1 8 8 GLN N N 8 117.821 117.821 118.240 -0.419 19881 292 1 2 . 1 1 8 8 GLN HA H 8 3.732 3.732 4.005 -0.273 19881 293 1 2 . 1 1 8 8 GLN C C 8 177.765 177.765 178.255 -0.490 19881 294 1 2 . 1 1 8 8 GLN CA C 8 59.367 59.367 59.115 0.252 19881 295 1 2 . 1 1 8 8 GLN CB C 8 28.094 28.094 27.983 0.111 19881 296 1 2 . 1 1 8 8 GLN H H 8 7.132 7.132 8.731 -1.599 19881 297 1 2 . 1 1 9 9 LEU N N 9 118.175 118.175 120.589 -2.414 19881 298 1 2 . 1 1 9 9 LEU HA H 9 3.916 3.916 3.942 -0.026 19881 299 1 2 . 1 1 9 9 LEU C C 9 178.096 178.096 179.008 -0.912 19881 300 1 2 . 1 1 9 9 LEU CA C 9 58.057 58.057 57.702 0.355 19881 301 1 2 . 1 1 9 9 LEU CB C 9 41.803 41.803 41.679 0.124 19881 302 1 2 . 1 1 9 9 LEU H H 9 7.680 7.680 7.471 0.209 19881 303 1 2 . 1 1 10 10 LEU N N 10 118.370 118.370 120.431 -2.061 19881 304 1 2 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.814 0.140 19881 305 1 2 . 1 1 10 10 LEU C C 10 177.930 177.930 179.026 -1.096 19881 306 1 2 . 1 1 10 10 LEU CA C 10 58.215 58.215 58.191 0.024 19881 307 1 2 . 1 1 10 10 LEU CB C 10 41.770 41.770 41.664 0.106 19881 308 1 2 . 1 1 10 10 LEU H H 10 8.182 8.182 8.095 0.087 19881 309 1 2 . 1 1 11 11 ILE N N 11 117.907 117.907 119.417 -1.510 19881 310 1 2 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.525 0.091 19881 311 1 2 . 1 1 11 11 ILE C C 11 177.370 177.370 177.847 -0.477 19881 312 1 2 . 1 1 11 11 ILE CA C 11 65.245 65.245 65.322 -0.077 19881 313 1 2 . 1 1 11 11 ILE CB C 11 37.290 37.290 37.683 -0.393 19881 314 1 2 . 1 1 11 11 ILE H H 11 7.676 7.676 7.283 0.393 19881 315 1 2 . 1 1 12 12 ILE N N 12 118.851 118.851 120.284 -1.433 19881 316 1 2 . 1 1 12 12 ILE HA H 12 3.525 3.525 3.536 -0.011 19881 317 1 2 . 1 1 12 12 ILE C C 12 176.908 176.908 177.777 -0.869 19881 318 1 2 . 1 1 12 12 ILE CA C 12 65.463 65.463 65.764 -0.302 19881 319 1 2 . 1 1 12 12 ILE CB C 12 37.450 37.450 37.569 -0.118 19881 320 1 2 . 1 1 12 12 ILE H H 12 7.756 7.756 8.225 -0.469 19881 321 1 2 . 1 1 13 13 ALA N N 13 121.114 121.114 122.354 -1.240 19881 322 1 2 . 1 1 13 13 ALA HA H 13 3.822 3.822 4.082 -0.260 19881 323 1 2 . 1 1 13 13 ALA C C 13 178.605 178.605 179.798 -1.193 19881 324 1 2 . 1 1 13 13 ALA CA C 13 55.753 55.753 55.398 0.355 19881 325 1 2 . 1 1 13 13 ALA CB C 13 17.799 17.799 18.138 -0.339 19881 326 1 2 . 1 1 13 13 ALA H H 13 8.367 8.367 8.784 -0.417 19881 327 1 2 . 1 1 14 14 VAL N N 14 116.560 116.560 119.485 -2.925 19881 328 1 2 . 1 1 14 14 VAL HA H 14 3.418 3.418 3.667 -0.249 19881 329 1 2 . 1 1 14 14 VAL C C 14 177.236 177.236 177.958 -0.722 19881 330 1 2 . 1 1 14 14 VAL CA C 14 67.304 67.304 66.860 0.444 19881 331 1 2 . 1 1 14 14 VAL CB C 14 31.360 31.360 31.404 -0.044 19881 332 1 2 . 1 1 14 14 VAL H H 14 8.164 8.164 7.718 0.446 19881 333 1 2 . 1 1 15 15 ILE N N 15 119.573 119.573 117.549 2.024 19881 334 1 2 . 1 1 15 15 ILE HA H 15 3.517 3.517 3.730 -0.213 19881 335 1 2 . 1 1 15 15 ILE C C 15 177.490 177.490 177.883 -0.393 19881 336 1 2 . 1 1 15 15 ILE CA C 15 65.828 65.828 65.199 0.629 19881 337 1 2 . 1 1 15 15 ILE CB C 15 37.364 37.364 37.275 0.089 19881 338 1 2 . 1 1 15 15 ILE H H 15 8.045 8.045 7.684 0.361 19881 339 1 2 . 1 1 16 16 VAL N N 16 118.777 118.777 120.682 -1.905 19881 340 1 2 . 1 1 16 16 VAL HA H 16 3.597 3.597 3.644 -0.047 19881 341 1 2 . 1 1 16 16 VAL C C 16 177.993 177.993 177.971 0.022 19881 342 1 2 . 1 1 16 16 VAL CA C 16 67.680 67.680 67.104 0.576 19881 343 1 2 . 1 1 16 16 VAL CB C 16 31.240 31.240 31.979 -0.739 19881 344 1 2 . 1 1 16 16 VAL H H 16 8.481 8.481 7.965 0.516 19881 345 1 2 . 1 1 17 17 VAL N N 17 120.072 120.072 119.978 0.094 19881 346 1 2 . 1 1 17 17 VAL HA H 17 3.602 3.602 3.699 -0.097 19881 347 1 2 . 1 1 17 17 VAL C C 17 178.199 178.199 177.905 0.294 19881 348 1 2 . 1 1 17 17 VAL CA C 17 67.426 67.426 67.036 0.390 19881 349 1 2 . 1 1 17 17 VAL CB C 17 31.187 31.187 31.799 -0.612 19881 350 1 2 . 1 1 17 17 VAL H H 17 8.329 8.329 8.030 0.299 19881 351 1 2 . 1 1 18 18 LEU N N 18 120.167 120.167 118.343 1.824 19881 352 1 2 . 1 1 18 18 LEU HA H 18 4.012 4.012 4.131 -0.119 19881 353 1 2 . 1 1 18 18 LEU C C 18 178.985 178.985 178.935 0.050 19881 354 1 2 . 1 1 18 18 LEU CA C 18 58.130 58.130 58.355 -0.225 19881 355 1 2 . 1 1 18 18 LEU CB C 18 42.045 42.045 41.071 0.974 19881 356 1 2 . 1 1 18 18 LEU H H 18 8.413 8.413 7.782 0.631 19881 357 1 2 . 1 1 19 19 LEU N N 19 118.603 118.603 119.682 -1.079 19881 358 1 2 . 1 1 19 19 LEU HA H 19 3.984 3.984 3.959 0.025 19881 359 1 2 . 1 1 19 19 LEU C C 19 178.510 178.510 178.455 0.055 19881 360 1 2 . 1 1 19 19 LEU CA C 19 57.831 57.831 57.659 0.172 19881 361 1 2 . 1 1 19 19 LEU CB C 19 42.406 42.406 41.235 1.171 19881 362 1 2 . 1 1 19 19 LEU H H 19 8.420 8.420 8.132 0.288 19881 363 1 2 . 1 1 20 20 PHE N N 20 116.154 116.154 117.608 -1.454 19881 364 1 2 . 1 1 20 20 PHE HA H 20 4.508 4.508 4.355 0.153 19881 365 1 2 . 1 1 20 20 PHE C C 20 178.062 178.062 177.030 1.032 19881 366 1 2 . 1 1 20 20 PHE CA C 20 60.202 60.202 59.863 0.339 19881 367 1 2 . 1 1 20 20 PHE CB C 20 40.126 40.126 39.658 0.468 19881 368 1 2 . 1 1 20 20 PHE H H 20 8.451 8.451 8.450 0.001 19881 369 1 2 . 1 1 21 21 GLY N N 21 108.705 108.705 105.317 3.388 19881 370 1 2 . 1 1 21 21 GLY C C 21 173.997 173.997 174.677 -0.680 19881 371 1 2 . 1 1 21 21 GLY CA C 21 46.189 46.189 45.192 0.997 19881 372 1 2 . 1 1 21 21 GLY H H 21 8.754 8.754 8.197 0.557 19881 373 1 2 . 1 1 22 22 THR N N 22 111.556 111.556 110.608 0.948 19881 374 1 2 . 1 1 22 22 THR HA H 22 4.080 4.080 3.927 0.153 19881 375 1 2 . 1 1 22 22 THR CA C 22 64.722 64.722 63.848 0.874 19881 376 1 2 . 1 1 22 22 THR CB C 22 69.150 69.150 67.169 1.981 19881 377 1 2 . 1 1 22 22 THR H H 22 8.190 8.190 8.078 0.112 19881 378 1 2 . 1 1 23 23 LYS N N 23 121.733 121.733 118.306 3.427 19881 379 1 2 . 1 1 23 23 LYS HA H 23 4.175 4.175 4.255 -0.080 19881 380 1 2 . 1 1 23 23 LYS C C 23 178.622 178.622 177.207 1.415 19881 381 1 2 . 1 1 23 23 LYS CA C 23 58.378 58.378 57.652 0.726 19881 382 1 2 . 1 1 23 23 LYS CB C 23 31.639 31.639 32.848 -1.209 19881 383 1 2 . 1 1 23 23 LYS H H 23 8.165 8.165 8.304 -0.139 19881 384 1 2 . 1 1 24 24 LYS N N 24 118.854 118.854 120.905 -2.051 19881 385 1 2 . 1 1 24 24 LYS HA H 24 4.246 4.246 4.336 -0.090 19881 386 1 2 . 1 1 24 24 LYS C C 24 177.705 177.705 178.196 -0.491 19881 387 1 2 . 1 1 24 24 LYS CA C 24 57.026 57.026 57.900 -0.874 19881 388 1 2 . 1 1 24 24 LYS CB C 24 32.471 32.471 31.926 0.545 19881 389 1 2 . 1 1 24 24 LYS H H 24 8.144 8.144 7.733 0.411 19881 390 1 2 . 1 1 25 25 LEU N N 25 118.583 118.583 119.415 -0.832 19881 391 1 2 . 1 1 25 25 LEU HA H 25 4.148 4.148 3.922 0.226 19881 392 1 2 . 1 1 25 25 LEU C C 25 177.815 177.815 178.736 -0.921 19881 393 1 2 . 1 1 25 25 LEU CA C 25 56.511 56.511 58.405 -1.894 19881 394 1 2 . 1 1 25 25 LEU CB C 25 41.955 41.955 40.891 1.064 19881 395 1 2 . 1 1 25 25 LEU H H 25 7.820 7.820 8.179 -0.359 19881 396 1 2 . 1 1 26 26 GLY N N 26 106.160 106.160 102.313 3.847 19881 397 1 2 . 1 1 26 26 GLY C C 26 175.013 175.013 175.995 -0.982 19881 398 1 2 . 1 1 26 26 GLY CA C 26 46.414 46.414 46.578 -0.164 19881 399 1 2 . 1 1 26 26 GLY H H 26 8.146 8.146 8.196 -0.050 19881 400 1 2 . 1 1 27 27 SER N N 27 116.361 116.361 116.300 0.061 19881 401 1 2 . 1 1 27 27 SER HA H 27 4.441 4.441 4.457 -0.016 19881 402 1 2 . 1 1 27 27 SER C C 27 175.407 175.407 175.957 -0.550 19881 403 1 2 . 1 1 27 27 SER CA C 27 59.665 59.665 60.535 -0.870 19881 404 1 2 . 1 1 27 27 SER CB C 27 63.672 63.672 63.660 0.012 19881 405 1 2 . 1 1 27 27 SER H H 27 8.046 8.046 7.983 0.063 19881 406 1 2 . 1 1 28 28 ILE N N 28 121.108 121.108 115.208 5.900 19881 407 1 2 . 1 1 28 28 ILE HA H 28 4.090 4.090 4.415 -0.325 19881 408 1 2 . 1 1 28 28 ILE C C 28 176.733 176.733 177.248 -0.515 19881 409 1 2 . 1 1 28 28 ILE CA C 28 62.883 62.883 62.977 -0.094 19881 410 1 2 . 1 1 28 28 ILE CB C 28 38.348 38.348 38.339 0.009 19881 411 1 2 . 1 1 28 28 ILE H H 28 7.847 7.847 8.696 -0.849 19881 412 1 2 . 1 1 29 29 GLY N N 29 109.304 109.304 109.276 0.028 19881 413 1 2 . 1 1 29 29 GLY C C 29 174.534 174.534 176.132 -1.598 19881 414 1 2 . 1 1 29 29 GLY CA C 29 46.278 46.278 47.765 -1.487 19881 415 1 2 . 1 1 29 29 GLY H H 29 8.329 8.329 8.286 0.043 19881 416 1 2 . 1 1 30 30 SER N N 30 115.814 115.814 117.534 -1.720 19881 417 1 2 . 1 1 30 30 SER HA H 30 4.301 4.301 4.168 0.133 19881 418 1 2 . 1 1 30 30 SER C C 30 175.445 175.445 176.485 -1.040 19881 419 1 2 . 1 1 30 30 SER CA C 30 60.378 60.378 62.662 -2.284 19881 420 1 2 . 1 1 30 30 SER CB C 30 63.575 63.575 62.650 0.925 19881 421 1 2 . 1 1 30 30 SER H H 30 8.026 8.026 8.221 -0.195 19881 422 1 2 . 1 1 31 31 ASP N N 31 122.351 122.351 122.840 -0.489 19881 423 1 2 . 1 1 31 31 ASP HA H 31 4.648 4.648 4.499 0.149 19881 424 1 2 . 1 1 31 31 ASP C C 31 177.501 177.501 178.467 -0.966 19881 425 1 2 . 1 1 31 31 ASP CA C 31 55.138 55.138 56.965 -1.827 19881 426 1 2 . 1 1 31 31 ASP CB C 31 40.847 40.847 40.486 0.361 19881 427 1 2 . 1 1 31 31 ASP H H 31 8.261 8.261 7.587 0.674 19881 428 1 2 . 1 1 32 32 LEU N N 32 123.303 123.303 120.720 2.583 19881 429 1 2 . 1 1 32 32 LEU HA H 32 4.146 4.146 4.065 0.081 19881 430 1 2 . 1 1 32 32 LEU C C 32 178.653 178.653 179.287 -0.634 19881 431 1 2 . 1 1 32 32 LEU CA C 32 57.539 57.539 58.021 -0.482 19881 432 1 2 . 1 1 32 32 LEU CB C 32 42.175 42.175 41.488 0.687 19881 433 1 2 . 1 1 32 32 LEU H H 32 8.400 8.400 8.007 0.393 19881 434 1 2 . 1 1 33 33 GLY N N 33 107.221 107.221 106.765 0.456 19881 435 1 2 . 1 1 33 33 GLY C C 33 175.646 175.646 175.594 0.052 19881 436 1 2 . 1 1 33 33 GLY CA C 33 47.342 47.342 47.201 0.141 19881 437 1 2 . 1 1 33 33 GLY H H 33 8.582 8.582 8.773 -0.191 19881 438 1 2 . 1 1 34 34 ALA N N 34 123.643 123.643 123.832 -0.189 19881 439 1 2 . 1 1 34 34 ALA HA H 34 4.165 4.165 4.198 -0.033 19881 440 1 2 . 1 1 34 34 ALA C C 34 180.302 180.302 179.518 0.784 19881 441 1 2 . 1 1 34 34 ALA CA C 34 54.422 54.422 54.760 -0.338 19881 442 1 2 . 1 1 34 34 ALA CB C 34 18.645 18.645 18.321 0.324 19881 443 1 2 . 1 1 34 34 ALA H H 34 8.012 8.012 8.052 -0.040 19881 444 1 2 . 1 1 35 35 SER N N 35 115.942 115.942 115.222 0.720 19881 445 1 2 . 1 1 35 35 SER HA H 35 4.342 4.342 4.248 0.094 19881 446 1 2 . 1 1 35 35 SER C C 35 176.430 176.430 176.922 -0.492 19881 447 1 2 . 1 1 35 35 SER CA C 35 61.552 61.552 61.852 -0.300 19881 448 1 2 . 1 1 35 35 SER CB C 35 63.404 63.404 63.137 0.267 19881 449 1 2 . 1 1 35 35 SER H H 35 8.021 8.021 8.465 -0.444 19881 450 1 2 . 1 1 36 36 ILE N N 36 121.829 121.829 122.853 -1.024 19881 451 1 2 . 1 1 36 36 ILE HA H 36 3.855 3.855 3.919 -0.064 19881 452 1 2 . 1 1 36 36 ILE C C 36 177.310 177.310 177.419 -0.109 19881 453 1 2 . 1 1 36 36 ILE CA C 36 64.467 64.467 63.258 1.209 19881 454 1 2 . 1 1 36 36 ILE CB C 36 37.790 37.790 37.616 0.174 19881 455 1 2 . 1 1 36 36 ILE H H 36 8.170 8.170 8.310 -0.140 19881 456 1 2 . 1 1 37 37 LYS N N 37 120.804 120.804 121.530 -0.726 19881 457 1 2 . 1 1 37 37 LYS HA H 37 3.998 3.998 3.898 0.100 19881 458 1 2 . 1 1 37 37 LYS C C 37 178.932 178.932 179.131 -0.199 19881 459 1 2 . 1 1 37 37 LYS CA C 37 59.665 59.665 60.496 -0.831 19881 460 1 2 . 1 1 37 37 LYS CB C 37 32.400 32.400 32.164 0.236 19881 461 1 2 . 1 1 37 37 LYS H H 37 8.039 8.039 8.046 -0.007 19881 462 1 2 . 1 1 38 38 GLY N N 38 107.479 107.479 106.548 0.931 19881 463 1 2 . 1 1 38 38 GLY C C 38 176.690 176.690 176.196 0.494 19881 464 1 2 . 1 1 38 38 GLY CA C 38 46.426 46.426 47.009 -0.583 19881 465 1 2 . 1 1 38 38 GLY H H 38 8.145 8.145 8.343 -0.198 19881 466 1 2 . 1 1 39 39 PHE N N 39 122.726 122.726 123.072 -0.346 19881 467 1 2 . 1 1 39 39 PHE HA H 39 4.389 4.389 4.315 0.074 19881 468 1 2 . 1 1 39 39 PHE C C 39 176.506 176.506 177.231 -0.725 19881 469 1 2 . 1 1 39 39 PHE CA C 39 60.235 60.235 60.543 -0.308 19881 470 1 2 . 1 1 39 39 PHE CB C 39 39.354 39.354 39.447 -0.093 19881 471 1 2 . 1 1 39 39 PHE H H 39 8.078 8.078 8.031 0.047 19881 472 1 2 . 1 1 40 40 LYS N N 40 119.668 119.668 119.386 0.282 19881 473 1 2 . 1 1 40 40 LYS HA H 40 3.925 3.925 3.841 0.084 19881 474 1 2 . 1 1 40 40 LYS C C 40 178.275 178.275 178.932 -0.657 19881 475 1 2 . 1 1 40 40 LYS CA C 40 58.940 58.940 60.015 -1.075 19881 476 1 2 . 1 1 40 40 LYS CB C 40 32.523 32.523 32.367 0.156 19881 477 1 2 . 1 1 40 40 LYS H H 40 8.192 8.192 9.080 -0.888 19881 478 1 2 . 1 1 41 41 LYS N N 41 120.878 120.878 118.821 2.057 19881 479 1 2 . 1 1 41 41 LYS HA H 41 4.109 4.109 3.968 0.141 19881 480 1 2 . 1 1 41 41 LYS C C 41 177.740 177.740 178.763 -1.023 19881 481 1 2 . 1 1 41 41 LYS CA C 41 58.105 58.105 59.587 -1.482 19881 482 1 2 . 1 1 41 41 LYS CB C 41 32.516 32.516 32.264 0.252 19881 483 1 2 . 1 1 41 41 LYS H H 41 7.997 7.997 8.330 -0.333 19881 484 1 2 . 1 1 42 42 ALA N N 42 122.719 122.719 120.797 1.922 19881 485 1 2 . 1 1 42 42 ALA HA H 42 4.213 4.213 4.081 0.132 19881 486 1 2 . 1 1 42 42 ALA C C 42 178.450 178.450 178.831 -0.381 19881 487 1 2 . 1 1 42 42 ALA CA C 42 53.586 53.586 54.447 -0.862 19881 488 1 2 . 1 1 42 42 ALA CB C 42 18.919 18.919 18.590 0.329 19881 489 1 2 . 1 1 42 42 ALA H H 42 7.900 7.900 7.404 0.496 19881 490 1 2 . 1 1 43 43 MET N N 43 115.999 115.999 115.655 0.344 19881 491 1 2 . 1 1 43 43 MET HA H 43 4.415 4.415 4.284 0.131 19881 492 1 2 . 1 1 43 43 MET C C 43 176.270 176.270 178.371 -2.101 19881 493 1 2 . 1 1 43 43 MET CA C 43 55.488 55.488 57.774 -2.286 19881 494 1 2 . 1 1 43 43 MET CB C 43 33.279 33.279 33.121 0.158 19881 495 1 2 . 1 1 43 43 MET H H 43 7.757 7.757 7.625 0.132 19881 496 1 2 . 1 1 44 44 SER N N 44 115.396 115.396 116.770 -1.374 19881 497 1 2 . 1 1 44 44 SER HA H 44 4.463 4.463 4.118 0.345 19881 498 1 2 . 1 1 44 44 SER C C 44 173.950 173.950 176.292 -2.342 19881 499 1 2 . 1 1 44 44 SER CA C 44 58.536 58.536 61.629 -3.093 19881 500 1 2 . 1 1 44 44 SER CB C 44 64.380 64.380 62.388 1.992 19881 501 1 2 . 1 1 44 44 SER H H 44 7.821 7.821 8.764 -0.943 19881 502 1 2 . 1 1 45 45 ASP N N 45 123.208 123.208 121.283 1.925 19881 503 1 2 . 1 1 45 45 ASP HA H 45 4.576 4.576 4.469 0.107 19881 504 1 2 . 1 1 45 45 ASP C C 45 175.990 175.990 177.856 -1.866 19881 505 1 2 . 1 1 45 45 ASP CA C 45 54.264 54.264 56.519 -2.255 19881 506 1 2 . 1 1 45 45 ASP CB C 45 41.410 41.410 40.506 0.904 19881 507 1 2 . 1 1 45 45 ASP H H 45 8.293 8.293 7.680 0.613 19881 508 1 2 . 1 1 46 46 ASP N N 46 121.430 121.430 120.879 0.551 19881 509 1 2 . 1 1 46 46 ASP HA H 46 4.542 4.542 4.673 -0.131 19881 510 1 2 . 1 1 46 46 ASP C C 46 176.060 176.060 175.322 0.738 19881 511 1 2 . 1 1 46 46 ASP CA C 46 54.250 54.250 54.608 -0.358 19881 512 1 2 . 1 1 46 46 ASP CB C 46 41.500 41.500 39.564 1.936 19881 513 1 2 . 1 1 46 46 ASP H H 46 8.239 8.239 7.796 0.443 19881 514 1 2 . 1 1 47 47 GLU N N 47 123.031 123.031 119.387 3.644 19881 515 1 2 . 1 1 47 47 GLU HA H 47 4.528 4.528 4.459 0.069 19881 516 1 2 . 1 1 47 47 GLU CA C 47 54.651 54.651 54.874 -0.223 19881 517 1 2 . 1 1 47 47 GLU CB C 47 29.910 29.910 30.800 -0.891 19881 518 1 2 . 1 1 47 47 GLU H H 47 8.163 8.163 7.776 0.387 19881 519 1 3 . 1 1 2 2 GLY N N 2 109.485 109.485 111.461 -1.976 19881 520 1 3 . 1 1 2 2 GLY C C 2 174.370 174.370 174.518 -0.148 19881 521 1 3 . 1 1 2 2 GLY CA C 2 46.411 46.411 45.470 0.941 19881 522 1 3 . 1 1 2 2 GLY H H 2 8.713 8.713 8.609 0.104 19881 523 1 3 . 1 1 3 3 GLY N N 3 108.308 108.308 107.046 1.262 19881 524 1 3 . 1 1 3 3 GLY C C 3 173.840 173.840 173.504 0.336 19881 525 1 3 . 1 1 3 3 GLY CA C 3 45.276 45.276 44.707 0.569 19881 526 1 3 . 1 1 3 3 GLY H H 3 8.326 8.326 7.830 0.496 19881 527 1 3 . 1 1 4 4 ILE N N 4 120.682 120.682 122.880 -2.198 19881 528 1 3 . 1 1 4 4 ILE HA H 4 4.330 4.330 4.288 0.042 19881 529 1 3 . 1 1 4 4 ILE CA C 4 60.610 60.610 60.063 0.547 19881 530 1 3 . 1 1 4 4 ILE CB C 4 39.100 39.100 38.187 0.913 19881 531 1 3 . 1 1 4 4 ILE H H 4 7.605 7.605 7.907 -0.302 19881 532 1 3 . 1 1 5 5 SER N N 5 121.157 121.157 123.104 -1.947 19881 533 1 3 . 1 1 5 5 SER HA H 5 4.676 4.676 4.628 0.048 19881 534 1 3 . 1 1 5 5 SER C C 5 175.720 175.720 175.717 0.003 19881 535 1 3 . 1 1 5 5 SER CA C 5 57.000 57.000 58.504 -1.504 19881 536 1 3 . 1 1 5 5 SER CB C 5 65.760 65.760 63.970 1.790 19881 537 1 3 . 1 1 5 5 SER H H 5 8.167 8.167 8.430 -0.263 19881 538 1 3 . 1 1 6 6 ILE N N 6 123.227 123.227 120.830 2.397 19881 539 1 3 . 1 1 6 6 ILE HA H 6 3.771 3.771 4.057 -0.286 19881 540 1 3 . 1 1 6 6 ILE C C 6 176.660 176.660 177.448 -0.788 19881 541 1 3 . 1 1 6 6 ILE CA C 6 63.890 63.890 62.927 0.963 19881 542 1 3 . 1 1 6 6 ILE CB C 6 37.173 37.173 37.151 0.022 19881 543 1 3 . 1 1 6 6 ILE H H 6 9.080 9.080 8.499 0.581 19881 544 1 3 . 1 1 7 7 TRP N N 7 119.286 119.286 121.031 -1.745 19881 545 1 3 . 1 1 7 7 TRP HA H 7 4.365 4.365 4.459 -0.094 19881 546 1 3 . 1 1 7 7 TRP C C 7 177.800 177.800 178.355 -0.555 19881 547 1 3 . 1 1 7 7 TRP CA C 7 59.411 59.411 61.081 -1.669 19881 548 1 3 . 1 1 7 7 TRP CB C 7 29.263 29.263 28.319 0.944 19881 549 1 3 . 1 1 7 7 TRP H H 7 7.536 7.536 8.171 -0.635 19881 550 1 3 . 1 1 8 8 GLN N N 8 117.821 117.821 117.573 0.248 19881 551 1 3 . 1 1 8 8 GLN HA H 8 3.732 3.732 4.139 -0.407 19881 552 1 3 . 1 1 8 8 GLN C C 8 177.765 177.765 178.159 -0.394 19881 553 1 3 . 1 1 8 8 GLN CA C 8 59.367 59.367 59.417 -0.050 19881 554 1 3 . 1 1 8 8 GLN CB C 8 28.094 28.094 27.604 0.490 19881 555 1 3 . 1 1 8 8 GLN H H 8 7.132 7.132 8.847 -1.715 19881 556 1 3 . 1 1 9 9 LEU N N 9 118.175 118.175 119.414 -1.239 19881 557 1 3 . 1 1 9 9 LEU HA H 9 3.916 3.916 4.233 -0.317 19881 558 1 3 . 1 1 9 9 LEU C C 9 178.096 178.096 178.191 -0.095 19881 559 1 3 . 1 1 9 9 LEU CA C 9 58.057 58.057 57.994 0.063 19881 560 1 3 . 1 1 9 9 LEU CB C 9 41.803 41.803 41.294 0.509 19881 561 1 3 . 1 1 9 9 LEU H H 9 7.680 7.680 7.474 0.206 19881 562 1 3 . 1 1 10 10 LEU N N 10 118.370 118.370 121.085 -2.715 19881 563 1 3 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.870 0.084 19881 564 1 3 . 1 1 10 10 LEU C C 10 177.930 177.930 179.301 -1.371 19881 565 1 3 . 1 1 10 10 LEU CA C 10 58.215 58.215 58.205 0.010 19881 566 1 3 . 1 1 10 10 LEU CB C 10 41.770 41.770 41.563 0.207 19881 567 1 3 . 1 1 10 10 LEU H H 10 8.182 8.182 7.799 0.383 19881 568 1 3 . 1 1 11 11 ILE N N 11 117.907 117.907 119.451 -1.544 19881 569 1 3 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.756 -0.140 19881 570 1 3 . 1 1 11 11 ILE C C 11 177.370 177.370 177.942 -0.572 19881 571 1 3 . 1 1 11 11 ILE CA C 11 65.245 65.245 65.703 -0.458 19881 572 1 3 . 1 1 11 11 ILE CB C 11 37.290 37.290 37.991 -0.701 19881 573 1 3 . 1 1 11 11 ILE H H 11 7.676 7.676 7.966 -0.290 19881 574 1 3 . 1 1 12 12 ILE N N 12 118.851 118.851 120.275 -1.424 19881 575 1 3 . 1 1 12 12 ILE HA H 12 3.525 3.525 3.609 -0.084 19881 576 1 3 . 1 1 12 12 ILE C C 12 176.908 176.908 177.752 -0.844 19881 577 1 3 . 1 1 12 12 ILE CA C 12 65.463 65.463 65.699 -0.236 19881 578 1 3 . 1 1 12 12 ILE CB C 12 37.450 37.450 37.722 -0.272 19881 579 1 3 . 1 1 12 12 ILE H H 12 7.756 7.756 7.728 0.028 19881 580 1 3 . 1 1 13 13 ALA N N 13 121.114 121.114 122.545 -1.431 19881 581 1 3 . 1 1 13 13 ALA HA H 13 3.822 3.822 4.050 -0.228 19881 582 1 3 . 1 1 13 13 ALA C C 13 178.605 178.605 179.774 -1.169 19881 583 1 3 . 1 1 13 13 ALA CA C 13 55.753 55.753 55.453 0.300 19881 584 1 3 . 1 1 13 13 ALA CB C 13 17.799 17.799 18.131 -0.332 19881 585 1 3 . 1 1 13 13 ALA H H 13 8.367 8.367 8.824 -0.457 19881 586 1 3 . 1 1 14 14 VAL N N 14 116.560 116.560 119.537 -2.977 19881 587 1 3 . 1 1 14 14 VAL HA H 14 3.418 3.418 3.693 -0.275 19881 588 1 3 . 1 1 14 14 VAL C C 14 177.236 177.236 177.989 -0.753 19881 589 1 3 . 1 1 14 14 VAL CA C 14 67.304 67.304 66.938 0.366 19881 590 1 3 . 1 1 14 14 VAL CB C 14 31.360 31.360 31.433 -0.073 19881 591 1 3 . 1 1 14 14 VAL H H 14 8.164 8.164 8.005 0.159 19881 592 1 3 . 1 1 15 15 ILE N N 15 119.573 119.573 117.492 2.081 19881 593 1 3 . 1 1 15 15 ILE HA H 15 3.517 3.517 3.786 -0.269 19881 594 1 3 . 1 1 15 15 ILE C C 15 177.490 177.490 177.954 -0.464 19881 595 1 3 . 1 1 15 15 ILE CA C 15 65.828 65.828 65.312 0.516 19881 596 1 3 . 1 1 15 15 ILE CB C 15 37.364 37.364 37.292 0.072 19881 597 1 3 . 1 1 15 15 ILE H H 15 8.045 8.045 7.709 0.336 19881 598 1 3 . 1 1 16 16 VAL N N 16 118.777 118.777 121.278 -2.501 19881 599 1 3 . 1 1 16 16 VAL HA H 16 3.597 3.597 3.918 -0.321 19881 600 1 3 . 1 1 16 16 VAL C C 16 177.993 177.993 178.296 -0.303 19881 601 1 3 . 1 1 16 16 VAL CA C 16 67.680 67.680 67.164 0.516 19881 602 1 3 . 1 1 16 16 VAL CB C 16 31.240 31.240 31.327 -0.087 19881 603 1 3 . 1 1 16 16 VAL H H 16 8.481 8.481 8.167 0.314 19881 604 1 3 . 1 1 17 17 VAL N N 17 120.072 120.072 120.219 -0.147 19881 605 1 3 . 1 1 17 17 VAL HA H 17 3.602 3.602 3.705 -0.103 19881 606 1 3 . 1 1 17 17 VAL C C 17 178.199 178.199 178.044 0.155 19881 607 1 3 . 1 1 17 17 VAL CA C 17 67.426 67.426 67.120 0.306 19881 608 1 3 . 1 1 17 17 VAL CB C 17 31.187 31.187 31.520 -0.333 19881 609 1 3 . 1 1 17 17 VAL H H 17 8.329 8.329 8.196 0.133 19881 610 1 3 . 1 1 18 18 LEU N N 18 120.167 120.167 118.535 1.632 19881 611 1 3 . 1 1 18 18 LEU HA H 18 4.012 4.012 4.147 -0.135 19881 612 1 3 . 1 1 18 18 LEU C C 18 178.985 178.985 178.988 -0.003 19881 613 1 3 . 1 1 18 18 LEU CA C 18 58.130 58.130 58.305 -0.175 19881 614 1 3 . 1 1 18 18 LEU CB C 18 42.045 42.045 41.051 0.994 19881 615 1 3 . 1 1 18 18 LEU H H 18 8.413 8.413 7.743 0.670 19881 616 1 3 . 1 1 19 19 LEU N N 19 118.603 118.603 118.404 0.199 19881 617 1 3 . 1 1 19 19 LEU HA H 19 3.984 3.984 4.074 -0.090 19881 618 1 3 . 1 1 19 19 LEU C C 19 178.510 178.510 178.801 -0.291 19881 619 1 3 . 1 1 19 19 LEU CA C 19 57.831 57.831 57.651 0.180 19881 620 1 3 . 1 1 19 19 LEU CB C 19 42.406 42.406 41.635 0.771 19881 621 1 3 . 1 1 19 19 LEU H H 19 8.420 8.420 8.243 0.177 19881 622 1 3 . 1 1 20 20 PHE N N 20 116.154 116.154 117.958 -1.804 19881 623 1 3 . 1 1 20 20 PHE HA H 20 4.508 4.508 4.231 0.277 19881 624 1 3 . 1 1 20 20 PHE C C 20 178.062 178.062 176.550 1.512 19881 625 1 3 . 1 1 20 20 PHE CA C 20 60.202 60.202 60.677 -0.475 19881 626 1 3 . 1 1 20 20 PHE CB C 20 40.126 40.126 39.777 0.349 19881 627 1 3 . 1 1 20 20 PHE H H 20 8.451 8.451 8.366 0.085 19881 628 1 3 . 1 1 21 21 GLY N N 21 108.705 108.705 104.094 4.611 19881 629 1 3 . 1 1 21 21 GLY C C 21 173.997 173.997 174.173 -0.176 19881 630 1 3 . 1 1 21 21 GLY CA C 21 46.189 46.189 45.045 1.144 19881 631 1 3 . 1 1 21 21 GLY H H 21 8.754 8.754 8.002 0.752 19881 632 1 3 . 1 1 22 22 THR N N 22 111.556 111.556 111.999 -0.443 19881 633 1 3 . 1 1 22 22 THR HA H 22 4.080 4.080 4.058 0.022 19881 634 1 3 . 1 1 22 22 THR CA C 22 64.722 64.722 63.460 1.262 19881 635 1 3 . 1 1 22 22 THR CB C 22 69.150 69.150 68.051 1.099 19881 636 1 3 . 1 1 22 22 THR H H 22 8.190 8.190 7.948 0.242 19881 637 1 3 . 1 1 23 23 LYS N N 23 121.733 121.733 119.154 2.579 19881 638 1 3 . 1 1 23 23 LYS HA H 23 4.175 4.175 4.369 -0.194 19881 639 1 3 . 1 1 23 23 LYS C C 23 178.622 178.622 176.740 1.882 19881 640 1 3 . 1 1 23 23 LYS CA C 23 58.378 58.378 56.646 1.732 19881 641 1 3 . 1 1 23 23 LYS CB C 23 31.639 31.639 33.804 -2.165 19881 642 1 3 . 1 1 23 23 LYS H H 23 8.165 8.165 8.231 -0.066 19881 643 1 3 . 1 1 24 24 LYS N N 24 118.854 118.854 122.343 -3.489 19881 644 1 3 . 1 1 24 24 LYS HA H 24 4.246 4.246 4.310 -0.064 19881 645 1 3 . 1 1 24 24 LYS C C 24 177.705 177.705 178.169 -0.464 19881 646 1 3 . 1 1 24 24 LYS CA C 24 57.026 57.026 58.714 -1.688 19881 647 1 3 . 1 1 24 24 LYS CB C 24 32.471 32.471 32.038 0.434 19881 648 1 3 . 1 1 24 24 LYS H H 24 8.144 8.144 8.256 -0.112 19881 649 1 3 . 1 1 25 25 LEU N N 25 118.583 118.583 119.522 -0.939 19881 650 1 3 . 1 1 25 25 LEU HA H 25 4.148 4.148 4.068 0.080 19881 651 1 3 . 1 1 25 25 LEU C C 25 177.815 177.815 178.875 -1.060 19881 652 1 3 . 1 1 25 25 LEU CA C 25 56.511 56.511 57.979 -1.468 19881 653 1 3 . 1 1 25 25 LEU CB C 25 41.955 41.955 40.615 1.340 19881 654 1 3 . 1 1 25 25 LEU H H 25 7.820 7.820 8.084 -0.264 19881 655 1 3 . 1 1 26 26 GLY N N 26 106.160 106.160 103.423 2.737 19881 656 1 3 . 1 1 26 26 GLY C C 26 175.013 175.013 175.434 -0.421 19881 657 1 3 . 1 1 26 26 GLY CA C 26 46.414 46.414 46.397 0.018 19881 658 1 3 . 1 1 26 26 GLY H H 26 8.146 8.146 8.324 -0.178 19881 659 1 3 . 1 1 27 27 SER N N 27 116.361 116.361 115.839 0.522 19881 660 1 3 . 1 1 27 27 SER HA H 27 4.441 4.441 4.437 0.004 19881 661 1 3 . 1 1 27 27 SER C C 27 175.407 175.407 175.996 -0.589 19881 662 1 3 . 1 1 27 27 SER CA C 27 59.665 59.665 60.226 -0.561 19881 663 1 3 . 1 1 27 27 SER CB C 27 63.672 63.672 63.750 -0.078 19881 664 1 3 . 1 1 27 27 SER H H 27 8.046 8.046 7.741 0.305 19881 665 1 3 . 1 1 28 28 ILE N N 28 121.108 121.108 114.959 6.149 19881 666 1 3 . 1 1 28 28 ILE HA H 28 4.090 4.090 4.471 -0.381 19881 667 1 3 . 1 1 28 28 ILE C C 28 176.733 176.733 177.218 -0.485 19881 668 1 3 . 1 1 28 28 ILE CA C 28 62.883 62.883 62.987 -0.104 19881 669 1 3 . 1 1 28 28 ILE CB C 28 38.348 38.348 38.545 -0.198 19881 670 1 3 . 1 1 28 28 ILE H H 28 7.847 7.847 8.733 -0.886 19881 671 1 3 . 1 1 29 29 GLY N N 29 109.304 109.304 108.930 0.374 19881 672 1 3 . 1 1 29 29 GLY C C 29 174.534 174.534 176.374 -1.840 19881 673 1 3 . 1 1 29 29 GLY CA C 29 46.278 46.278 47.445 -1.167 19881 674 1 3 . 1 1 29 29 GLY H H 29 8.329 8.329 8.244 0.085 19881 675 1 3 . 1 1 30 30 SER N N 30 115.814 115.814 116.594 -0.780 19881 676 1 3 . 1 1 30 30 SER HA H 30 4.301 4.301 4.242 0.059 19881 677 1 3 . 1 1 30 30 SER C C 30 175.445 175.445 176.168 -0.723 19881 678 1 3 . 1 1 30 30 SER CA C 30 60.378 60.378 61.920 -1.542 19881 679 1 3 . 1 1 30 30 SER CB C 30 63.575 63.575 62.853 0.722 19881 680 1 3 . 1 1 30 30 SER H H 30 8.026 8.026 8.152 -0.126 19881 681 1 3 . 1 1 31 31 ASP N N 31 122.351 122.351 123.163 -0.812 19881 682 1 3 . 1 1 31 31 ASP HA H 31 4.648 4.648 4.517 0.131 19881 683 1 3 . 1 1 31 31 ASP C C 31 177.501 177.501 178.723 -1.222 19881 684 1 3 . 1 1 31 31 ASP CA C 31 55.138 55.138 56.764 -1.626 19881 685 1 3 . 1 1 31 31 ASP CB C 31 40.847 40.847 40.487 0.360 19881 686 1 3 . 1 1 31 31 ASP H H 31 8.261 8.261 7.712 0.549 19881 687 1 3 . 1 1 32 32 LEU N N 32 123.303 123.303 120.802 2.501 19881 688 1 3 . 1 1 32 32 LEU HA H 32 4.146 4.146 4.087 0.059 19881 689 1 3 . 1 1 32 32 LEU C C 32 178.653 178.653 179.239 -0.586 19881 690 1 3 . 1 1 32 32 LEU CA C 32 57.539 57.539 57.983 -0.444 19881 691 1 3 . 1 1 32 32 LEU CB C 32 42.175 42.175 41.512 0.663 19881 692 1 3 . 1 1 32 32 LEU H H 32 8.400 8.400 8.005 0.395 19881 693 1 3 . 1 1 33 33 GLY N N 33 107.221 107.221 106.625 0.596 19881 694 1 3 . 1 1 33 33 GLY C C 33 175.646 175.646 175.506 0.140 19881 695 1 3 . 1 1 33 33 GLY CA C 33 47.342 47.342 47.248 0.094 19881 696 1 3 . 1 1 33 33 GLY H H 33 8.582 8.582 8.806 -0.224 19881 697 1 3 . 1 1 34 34 ALA N N 34 123.643 123.643 123.774 -0.131 19881 698 1 3 . 1 1 34 34 ALA HA H 34 4.165 4.165 4.213 -0.048 19881 699 1 3 . 1 1 34 34 ALA C C 34 180.302 180.302 179.798 0.504 19881 700 1 3 . 1 1 34 34 ALA CA C 34 54.422 54.422 54.704 -0.282 19881 701 1 3 . 1 1 34 34 ALA CB C 34 18.645 18.645 18.507 0.138 19881 702 1 3 . 1 1 34 34 ALA H H 34 8.012 8.012 7.808 0.204 19881 703 1 3 . 1 1 35 35 SER N N 35 115.942 115.942 115.857 0.085 19881 704 1 3 . 1 1 35 35 SER HA H 35 4.342 4.342 4.165 0.177 19881 705 1 3 . 1 1 35 35 SER C C 35 176.430 176.430 176.869 -0.439 19881 706 1 3 . 1 1 35 35 SER CA C 35 61.552 61.552 61.619 -0.067 19881 707 1 3 . 1 1 35 35 SER CB C 35 63.404 63.404 63.222 0.182 19881 708 1 3 . 1 1 35 35 SER H H 35 8.021 8.021 8.352 -0.331 19881 709 1 3 . 1 1 36 36 ILE N N 36 121.829 121.829 121.687 0.142 19881 710 1 3 . 1 1 36 36 ILE HA H 36 3.855 3.855 3.882 -0.027 19881 711 1 3 . 1 1 36 36 ILE C C 36 177.310 177.310 176.920 0.390 19881 712 1 3 . 1 1 36 36 ILE CA C 36 64.467 64.467 63.270 1.197 19881 713 1 3 . 1 1 36 36 ILE CB C 36 37.790 37.790 37.643 0.147 19881 714 1 3 . 1 1 36 36 ILE H H 36 8.170 8.170 8.296 -0.126 19881 715 1 3 . 1 1 37 37 LYS N N 37 120.804 120.804 121.368 -0.564 19881 716 1 3 . 1 1 37 37 LYS HA H 37 3.998 3.998 4.030 -0.032 19881 717 1 3 . 1 1 37 37 LYS C C 37 178.932 178.932 179.205 -0.273 19881 718 1 3 . 1 1 37 37 LYS CA C 37 59.665 59.665 60.143 -0.478 19881 719 1 3 . 1 1 37 37 LYS CB C 37 32.400 32.400 31.734 0.666 19881 720 1 3 . 1 1 37 37 LYS H H 37 8.039 8.039 8.045 -0.006 19881 721 1 3 . 1 1 38 38 GLY N N 38 107.479 107.479 107.448 0.031 19881 722 1 3 . 1 1 38 38 GLY C C 38 176.690 176.690 176.128 0.562 19881 723 1 3 . 1 1 38 38 GLY CA C 38 46.426 46.426 46.855 -0.429 19881 724 1 3 . 1 1 38 38 GLY H H 38 8.145 8.145 8.111 0.034 19881 725 1 3 . 1 1 39 39 PHE N N 39 122.726 122.726 123.097 -0.371 19881 726 1 3 . 1 1 39 39 PHE HA H 39 4.389 4.389 4.313 0.076 19881 727 1 3 . 1 1 39 39 PHE C C 39 176.506 176.506 177.231 -0.725 19881 728 1 3 . 1 1 39 39 PHE CA C 39 60.235 60.235 60.552 -0.317 19881 729 1 3 . 1 1 39 39 PHE CB C 39 39.354 39.354 39.442 -0.088 19881 730 1 3 . 1 1 39 39 PHE H H 39 8.078 8.078 8.025 0.053 19881 731 1 3 . 1 1 40 40 LYS N N 40 119.668 119.668 119.164 0.504 19881 732 1 3 . 1 1 40 40 LYS HA H 40 3.925 3.925 3.832 0.093 19881 733 1 3 . 1 1 40 40 LYS C C 40 178.275 178.275 178.729 -0.454 19881 734 1 3 . 1 1 40 40 LYS CA C 40 58.940 58.940 59.689 -0.749 19881 735 1 3 . 1 1 40 40 LYS CB C 40 32.523 32.523 32.357 0.166 19881 736 1 3 . 1 1 40 40 LYS H H 40 8.192 8.192 9.001 -0.809 19881 737 1 3 . 1 1 41 41 LYS N N 41 120.878 120.878 119.785 1.093 19881 738 1 3 . 1 1 41 41 LYS HA H 41 4.109 4.109 4.037 0.072 19881 739 1 3 . 1 1 41 41 LYS C C 41 177.740 177.740 178.246 -0.506 19881 740 1 3 . 1 1 41 41 LYS CA C 41 58.105 58.105 59.010 -0.905 19881 741 1 3 . 1 1 41 41 LYS CB C 41 32.516 32.516 32.428 0.088 19881 742 1 3 . 1 1 41 41 LYS H H 41 7.997 7.997 8.113 -0.116 19881 743 1 3 . 1 1 42 42 ALA N N 42 122.719 122.719 120.909 1.810 19881 744 1 3 . 1 1 42 42 ALA HA H 42 4.213 4.213 4.014 0.199 19881 745 1 3 . 1 1 42 42 ALA C C 42 178.450 178.450 178.931 -0.481 19881 746 1 3 . 1 1 42 42 ALA CA C 42 53.586 53.586 54.363 -0.777 19881 747 1 3 . 1 1 42 42 ALA CB C 42 18.919 18.919 18.963 -0.044 19881 748 1 3 . 1 1 42 42 ALA H H 42 7.900 7.900 7.653 0.247 19881 749 1 3 . 1 1 43 43 MET N N 43 115.999 115.999 117.526 -1.527 19881 750 1 3 . 1 1 43 43 MET HA H 43 4.415 4.415 4.241 0.174 19881 751 1 3 . 1 1 43 43 MET C C 43 176.270 176.270 177.145 -0.875 19881 752 1 3 . 1 1 43 43 MET CA C 43 55.488 55.488 56.271 -0.783 19881 753 1 3 . 1 1 43 43 MET CB C 43 33.279 33.279 33.149 0.130 19881 754 1 3 . 1 1 43 43 MET H H 43 7.757 7.757 7.620 0.137 19881 755 1 3 . 1 1 44 44 SER N N 44 115.396 115.396 114.504 0.892 19881 756 1 3 . 1 1 44 44 SER HA H 44 4.463 4.463 4.056 0.407 19881 757 1 3 . 1 1 44 44 SER C C 44 173.950 173.950 173.729 0.221 19881 758 1 3 . 1 1 44 44 SER CA C 44 58.536 58.536 59.077 -0.541 19881 759 1 3 . 1 1 44 44 SER CB C 44 64.380 64.380 62.921 1.459 19881 760 1 3 . 1 1 44 44 SER H H 44 7.821 7.821 8.146 -0.325 19881 761 1 3 . 1 1 45 45 ASP N N 45 123.208 123.208 120.727 2.481 19881 762 1 3 . 1 1 45 45 ASP HA H 45 4.576 4.576 4.654 -0.078 19881 763 1 3 . 1 1 45 45 ASP C C 45 175.990 175.990 175.800 0.190 19881 764 1 3 . 1 1 45 45 ASP CA C 45 54.264 54.264 53.809 0.454 19881 765 1 3 . 1 1 45 45 ASP CB C 45 41.410 41.410 41.283 0.127 19881 766 1 3 . 1 1 45 45 ASP H H 45 8.293 8.293 8.361 -0.068 19881 767 1 3 . 1 1 46 46 ASP N N 46 121.430 121.430 125.902 -4.472 19881 768 1 3 . 1 1 46 46 ASP HA H 46 4.542 4.542 4.681 -0.139 19881 769 1 3 . 1 1 46 46 ASP C C 46 176.060 176.060 175.654 0.406 19881 770 1 3 . 1 1 46 46 ASP CA C 46 54.250 54.250 54.663 -0.412 19881 771 1 3 . 1 1 46 46 ASP CB C 46 41.500 41.500 40.540 0.960 19881 772 1 3 . 1 1 46 46 ASP H H 46 8.239 8.239 8.532 -0.293 19881 773 1 3 . 1 1 47 47 GLU N N 47 123.031 123.031 120.296 2.735 19881 774 1 3 . 1 1 47 47 GLU HA H 47 4.528 4.528 4.566 -0.038 19881 775 1 3 . 1 1 47 47 GLU CA C 47 54.651 54.651 54.431 0.221 19881 776 1 3 . 1 1 47 47 GLU CB C 47 29.910 29.910 31.319 -1.409 19881 777 1 3 . 1 1 47 47 GLU H H 47 8.163 8.163 8.072 0.091 19881 778 1 4 . 1 1 2 2 GLY N N 2 109.485 109.485 109.609 -0.124 19881 779 1 4 . 1 1 2 2 GLY C C 2 174.370 174.370 174.973 -0.603 19881 780 1 4 . 1 1 2 2 GLY CA C 2 46.411 46.411 45.817 0.594 19881 781 1 4 . 1 1 2 2 GLY H H 2 8.713 8.713 8.245 0.468 19881 782 1 4 . 1 1 3 3 GLY N N 3 108.308 108.308 106.944 1.364 19881 783 1 4 . 1 1 3 3 GLY C C 3 173.840 173.840 173.171 0.669 19881 784 1 4 . 1 1 3 3 GLY CA C 3 45.276 45.276 44.660 0.616 19881 785 1 4 . 1 1 3 3 GLY H H 3 8.326 8.326 7.974 0.352 19881 786 1 4 . 1 1 4 4 ILE N N 4 120.682 120.682 122.397 -1.715 19881 787 1 4 . 1 1 4 4 ILE HA H 4 4.330 4.330 4.268 0.062 19881 788 1 4 . 1 1 4 4 ILE CA C 4 60.610 60.610 61.391 -0.781 19881 789 1 4 . 1 1 4 4 ILE CB C 4 39.100 39.100 37.887 1.213 19881 790 1 4 . 1 1 4 4 ILE H H 4 7.605 7.605 8.008 -0.403 19881 791 1 4 . 1 1 5 5 SER N N 5 121.157 121.157 122.527 -1.370 19881 792 1 4 . 1 1 5 5 SER HA H 5 4.676 4.676 4.706 -0.030 19881 793 1 4 . 1 1 5 5 SER C C 5 175.720 175.720 174.970 0.750 19881 794 1 4 . 1 1 5 5 SER CA C 5 57.000 57.000 58.297 -1.297 19881 795 1 4 . 1 1 5 5 SER CB C 5 65.760 65.760 64.454 1.306 19881 796 1 4 . 1 1 5 5 SER H H 5 8.167 8.167 7.892 0.275 19881 797 1 4 . 1 1 6 6 ILE N N 6 123.227 123.227 123.336 -0.109 19881 798 1 4 . 1 1 6 6 ILE HA H 6 3.771 3.771 3.811 -0.040 19881 799 1 4 . 1 1 6 6 ILE C C 6 176.660 176.660 177.115 -0.455 19881 800 1 4 . 1 1 6 6 ILE CA C 6 63.890 63.890 63.965 -0.075 19881 801 1 4 . 1 1 6 6 ILE CB C 6 37.173 37.173 37.764 -0.591 19881 802 1 4 . 1 1 6 6 ILE H H 6 9.080 9.080 8.486 0.594 19881 803 1 4 . 1 1 7 7 TRP N N 7 119.286 119.286 119.473 -0.187 19881 804 1 4 . 1 1 7 7 TRP HA H 7 4.365 4.365 4.203 0.162 19881 805 1 4 . 1 1 7 7 TRP C C 7 177.800 177.800 178.476 -0.676 19881 806 1 4 . 1 1 7 7 TRP CA C 7 59.411 59.411 60.998 -1.587 19881 807 1 4 . 1 1 7 7 TRP CB C 7 29.263 29.263 28.892 0.371 19881 808 1 4 . 1 1 7 7 TRP H H 7 7.536 7.536 7.901 -0.365 19881 809 1 4 . 1 1 8 8 GLN N N 8 117.821 117.821 118.352 -0.531 19881 810 1 4 . 1 1 8 8 GLN HA H 8 3.732 3.732 4.120 -0.388 19881 811 1 4 . 1 1 8 8 GLN C C 8 177.765 177.765 178.592 -0.827 19881 812 1 4 . 1 1 8 8 GLN CA C 8 59.367 59.367 59.214 0.153 19881 813 1 4 . 1 1 8 8 GLN CB C 8 28.094 28.094 27.980 0.114 19881 814 1 4 . 1 1 8 8 GLN H H 8 7.132 7.132 8.371 -1.239 19881 815 1 4 . 1 1 9 9 LEU N N 9 118.175 118.175 120.781 -2.606 19881 816 1 4 . 1 1 9 9 LEU HA H 9 3.916 3.916 3.992 -0.076 19881 817 1 4 . 1 1 9 9 LEU C C 9 178.096 178.096 179.089 -0.993 19881 818 1 4 . 1 1 9 9 LEU CA C 9 58.057 58.057 57.958 0.099 19881 819 1 4 . 1 1 9 9 LEU CB C 9 41.803 41.803 41.692 0.111 19881 820 1 4 . 1 1 9 9 LEU H H 9 7.680 7.680 8.273 -0.593 19881 821 1 4 . 1 1 10 10 LEU N N 10 118.370 118.370 120.706 -2.336 19881 822 1 4 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.885 0.069 19881 823 1 4 . 1 1 10 10 LEU C C 10 177.930 177.930 179.234 -1.304 19881 824 1 4 . 1 1 10 10 LEU CA C 10 58.215 58.215 58.327 -0.112 19881 825 1 4 . 1 1 10 10 LEU CB C 10 41.770 41.770 41.751 0.019 19881 826 1 4 . 1 1 10 10 LEU H H 10 8.182 8.182 8.415 -0.233 19881 827 1 4 . 1 1 11 11 ILE N N 11 117.907 117.907 119.601 -1.694 19881 828 1 4 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.746 -0.130 19881 829 1 4 . 1 1 11 11 ILE C C 11 177.370 177.370 178.056 -0.686 19881 830 1 4 . 1 1 11 11 ILE CA C 11 65.245 65.245 65.776 -0.531 19881 831 1 4 . 1 1 11 11 ILE CB C 11 37.290 37.290 37.917 -0.627 19881 832 1 4 . 1 1 11 11 ILE H H 11 7.676 7.676 7.892 -0.216 19881 833 1 4 . 1 1 12 12 ILE N N 12 118.851 118.851 120.441 -1.590 19881 834 1 4 . 1 1 12 12 ILE HA H 12 3.525 3.525 3.600 -0.075 19881 835 1 4 . 1 1 12 12 ILE C C 12 176.908 176.908 177.832 -0.924 19881 836 1 4 . 1 1 12 12 ILE CA C 12 65.463 65.463 65.856 -0.393 19881 837 1 4 . 1 1 12 12 ILE CB C 12 37.450 37.450 37.608 -0.158 19881 838 1 4 . 1 1 12 12 ILE H H 12 7.756 7.756 8.213 -0.457 19881 839 1 4 . 1 1 13 13 ALA N N 13 121.114 121.114 122.451 -1.337 19881 840 1 4 . 1 1 13 13 ALA HA H 13 3.822 3.822 4.055 -0.233 19881 841 1 4 . 1 1 13 13 ALA C C 13 178.605 178.605 179.685 -1.080 19881 842 1 4 . 1 1 13 13 ALA CA C 13 55.753 55.753 55.357 0.396 19881 843 1 4 . 1 1 13 13 ALA CB C 13 17.799 17.799 18.109 -0.310 19881 844 1 4 . 1 1 13 13 ALA H H 13 8.367 8.367 8.731 -0.364 19881 845 1 4 . 1 1 14 14 VAL N N 14 116.560 116.560 119.555 -2.995 19881 846 1 4 . 1 1 14 14 VAL HA H 14 3.418 3.418 3.578 -0.160 19881 847 1 4 . 1 1 14 14 VAL C C 14 177.236 177.236 178.004 -0.768 19881 848 1 4 . 1 1 14 14 VAL CA C 14 67.304 67.304 66.898 0.406 19881 849 1 4 . 1 1 14 14 VAL CB C 14 31.360 31.360 31.892 -0.532 19881 850 1 4 . 1 1 14 14 VAL H H 14 8.164 8.164 8.049 0.115 19881 851 1 4 . 1 1 15 15 ILE N N 15 119.573 119.573 120.209 -0.636 19881 852 1 4 . 1 1 15 15 ILE HA H 15 3.517 3.517 3.705 -0.188 19881 853 1 4 . 1 1 15 15 ILE C C 15 177.490 177.490 178.138 -0.648 19881 854 1 4 . 1 1 15 15 ILE CA C 15 65.828 65.828 65.710 0.118 19881 855 1 4 . 1 1 15 15 ILE CB C 15 37.364 37.364 37.790 -0.426 19881 856 1 4 . 1 1 15 15 ILE H H 15 8.045 8.045 8.093 -0.048 19881 857 1 4 . 1 1 16 16 VAL N N 16 118.777 118.777 120.402 -1.625 19881 858 1 4 . 1 1 16 16 VAL HA H 16 3.597 3.597 3.938 -0.341 19881 859 1 4 . 1 1 16 16 VAL C C 16 177.993 177.993 178.492 -0.499 19881 860 1 4 . 1 1 16 16 VAL CA C 16 67.680 67.680 67.159 0.521 19881 861 1 4 . 1 1 16 16 VAL CB C 16 31.240 31.240 31.168 0.072 19881 862 1 4 . 1 1 16 16 VAL H H 16 8.481 8.481 8.350 0.131 19881 863 1 4 . 1 1 17 17 VAL N N 17 120.072 120.072 119.949 0.123 19881 864 1 4 . 1 1 17 17 VAL HA H 17 3.602 3.602 3.757 -0.155 19881 865 1 4 . 1 1 17 17 VAL C C 17 178.199 178.199 178.687 -0.488 19881 866 1 4 . 1 1 17 17 VAL CA C 17 67.426 67.426 66.608 0.818 19881 867 1 4 . 1 1 17 17 VAL CB C 17 31.187 31.187 31.042 0.145 19881 868 1 4 . 1 1 17 17 VAL H H 17 8.329 8.329 8.206 0.123 19881 869 1 4 . 1 1 18 18 LEU N N 18 120.167 120.167 118.202 1.965 19881 870 1 4 . 1 1 18 18 LEU HA H 18 4.012 4.012 4.229 -0.217 19881 871 1 4 . 1 1 18 18 LEU C C 18 178.985 178.985 179.274 -0.289 19881 872 1 4 . 1 1 18 18 LEU CA C 18 58.130 58.130 58.354 -0.224 19881 873 1 4 . 1 1 18 18 LEU CB C 18 42.045 42.045 41.031 1.014 19881 874 1 4 . 1 1 18 18 LEU H H 18 8.413 8.413 7.765 0.648 19881 875 1 4 . 1 1 19 19 LEU N N 19 118.603 118.603 120.074 -1.471 19881 876 1 4 . 1 1 19 19 LEU HA H 19 3.984 3.984 4.013 -0.029 19881 877 1 4 . 1 1 19 19 LEU C C 19 178.510 178.510 178.968 -0.458 19881 878 1 4 . 1 1 19 19 LEU CA C 19 57.831 57.831 57.844 -0.013 19881 879 1 4 . 1 1 19 19 LEU CB C 19 42.406 42.406 41.456 0.950 19881 880 1 4 . 1 1 19 19 LEU H H 19 8.420 8.420 8.458 -0.038 19881 881 1 4 . 1 1 20 20 PHE N N 20 116.154 116.154 116.702 -0.548 19881 882 1 4 . 1 1 20 20 PHE HA H 20 4.508 4.508 4.255 0.253 19881 883 1 4 . 1 1 20 20 PHE C C 20 178.062 178.062 176.486 1.576 19881 884 1 4 . 1 1 20 20 PHE CA C 20 60.202 60.202 60.494 -0.292 19881 885 1 4 . 1 1 20 20 PHE CB C 20 40.126 40.126 39.668 0.458 19881 886 1 4 . 1 1 20 20 PHE H H 20 8.451 8.451 8.656 -0.205 19881 887 1 4 . 1 1 21 21 GLY N N 21 108.705 108.705 104.688 4.017 19881 888 1 4 . 1 1 21 21 GLY C C 21 173.997 173.997 174.223 -0.226 19881 889 1 4 . 1 1 21 21 GLY CA C 21 46.189 46.189 45.041 1.148 19881 890 1 4 . 1 1 21 21 GLY H H 21 8.754 8.754 7.898 0.856 19881 891 1 4 . 1 1 22 22 THR N N 22 111.556 111.556 111.427 0.129 19881 892 1 4 . 1 1 22 22 THR HA H 22 4.080 4.080 4.043 0.037 19881 893 1 4 . 1 1 22 22 THR CA C 22 64.722 64.722 63.357 1.365 19881 894 1 4 . 1 1 22 22 THR CB C 22 69.150 69.150 68.100 1.050 19881 895 1 4 . 1 1 22 22 THR H H 22 8.190 8.190 7.928 0.262 19881 896 1 4 . 1 1 23 23 LYS N N 23 121.733 121.733 122.854 -1.121 19881 897 1 4 . 1 1 23 23 LYS HA H 23 4.175 4.175 4.437 -0.262 19881 898 1 4 . 1 1 23 23 LYS C C 23 178.622 178.622 176.530 2.092 19881 899 1 4 . 1 1 23 23 LYS CA C 23 58.378 58.378 57.456 0.922 19881 900 1 4 . 1 1 23 23 LYS CB C 23 31.639 31.639 34.109 -2.470 19881 901 1 4 . 1 1 23 23 LYS H H 23 8.165 8.165 8.394 -0.229 19881 902 1 4 . 1 1 24 24 LYS N N 24 118.854 118.854 121.017 -2.163 19881 903 1 4 . 1 1 24 24 LYS HA H 24 4.246 4.246 4.428 -0.182 19881 904 1 4 . 1 1 24 24 LYS C C 24 177.705 177.705 177.897 -0.192 19881 905 1 4 . 1 1 24 24 LYS CA C 24 57.026 57.026 58.233 -1.207 19881 906 1 4 . 1 1 24 24 LYS CB C 24 32.471 32.471 32.017 0.454 19881 907 1 4 . 1 1 24 24 LYS H H 24 8.144 8.144 7.970 0.174 19881 908 1 4 . 1 1 25 25 LEU N N 25 118.583 118.583 120.549 -1.966 19881 909 1 4 . 1 1 25 25 LEU HA H 25 4.148 4.148 4.110 0.038 19881 910 1 4 . 1 1 25 25 LEU C C 25 177.815 177.815 179.041 -1.226 19881 911 1 4 . 1 1 25 25 LEU CA C 25 56.511 56.511 57.937 -1.426 19881 912 1 4 . 1 1 25 25 LEU CB C 25 41.955 41.955 40.446 1.509 19881 913 1 4 . 1 1 25 25 LEU H H 25 7.820 7.820 8.137 -0.317 19881 914 1 4 . 1 1 26 26 GLY N N 26 106.160 106.160 103.592 2.568 19881 915 1 4 . 1 1 26 26 GLY C C 26 175.013 175.013 175.228 -0.215 19881 916 1 4 . 1 1 26 26 GLY CA C 26 46.414 46.414 46.721 -0.307 19881 917 1 4 . 1 1 26 26 GLY H H 26 8.146 8.146 8.221 -0.075 19881 918 1 4 . 1 1 27 27 SER N N 27 116.361 116.361 115.296 1.065 19881 919 1 4 . 1 1 27 27 SER HA H 27 4.441 4.441 4.484 -0.043 19881 920 1 4 . 1 1 27 27 SER C C 27 175.407 175.407 176.225 -0.818 19881 921 1 4 . 1 1 27 27 SER CA C 27 59.665 59.665 59.854 -0.189 19881 922 1 4 . 1 1 27 27 SER CB C 27 63.672 63.672 63.652 0.020 19881 923 1 4 . 1 1 27 27 SER H H 27 8.046 8.046 7.300 0.746 19881 924 1 4 . 1 1 28 28 ILE N N 28 121.108 121.108 114.785 6.323 19881 925 1 4 . 1 1 28 28 ILE HA H 28 4.090 4.090 4.473 -0.383 19881 926 1 4 . 1 1 28 28 ILE C C 28 176.733 176.733 177.328 -0.595 19881 927 1 4 . 1 1 28 28 ILE CA C 28 62.883 62.883 63.089 -0.206 19881 928 1 4 . 1 1 28 28 ILE CB C 28 38.348 38.348 38.038 0.310 19881 929 1 4 . 1 1 28 28 ILE H H 28 7.847 7.847 8.630 -0.783 19881 930 1 4 . 1 1 29 29 GLY N N 29 109.304 109.304 108.879 0.425 19881 931 1 4 . 1 1 29 29 GLY C C 29 174.534 174.534 176.142 -1.608 19881 932 1 4 . 1 1 29 29 GLY CA C 29 46.278 46.278 47.394 -1.116 19881 933 1 4 . 1 1 29 29 GLY H H 29 8.329 8.329 8.401 -0.072 19881 934 1 4 . 1 1 30 30 SER N N 30 115.814 115.814 116.283 -0.469 19881 935 1 4 . 1 1 30 30 SER HA H 30 4.301 4.301 4.193 0.108 19881 936 1 4 . 1 1 30 30 SER C C 30 175.445 175.445 176.313 -0.868 19881 937 1 4 . 1 1 30 30 SER CA C 30 60.378 60.378 61.509 -1.131 19881 938 1 4 . 1 1 30 30 SER CB C 30 63.575 63.575 63.016 0.559 19881 939 1 4 . 1 1 30 30 SER H H 30 8.026 8.026 8.181 -0.155 19881 940 1 4 . 1 1 31 31 ASP N N 31 122.351 122.351 122.808 -0.457 19881 941 1 4 . 1 1 31 31 ASP HA H 31 4.648 4.648 4.530 0.118 19881 942 1 4 . 1 1 31 31 ASP C C 31 177.501 177.501 178.588 -1.087 19881 943 1 4 . 1 1 31 31 ASP CA C 31 55.138 55.138 56.671 -1.533 19881 944 1 4 . 1 1 31 31 ASP CB C 31 40.847 40.847 40.576 0.271 19881 945 1 4 . 1 1 31 31 ASP H H 31 8.261 8.261 7.677 0.584 19881 946 1 4 . 1 1 32 32 LEU N N 32 123.303 123.303 120.737 2.566 19881 947 1 4 . 1 1 32 32 LEU HA H 32 4.146 4.146 4.096 0.050 19881 948 1 4 . 1 1 32 32 LEU C C 32 178.653 178.653 179.243 -0.590 19881 949 1 4 . 1 1 32 32 LEU CA C 32 57.539 57.539 57.978 -0.439 19881 950 1 4 . 1 1 32 32 LEU CB C 32 42.175 42.175 41.491 0.684 19881 951 1 4 . 1 1 32 32 LEU H H 32 8.400 8.400 8.010 0.390 19881 952 1 4 . 1 1 33 33 GLY N N 33 107.221 107.221 106.589 0.632 19881 953 1 4 . 1 1 33 33 GLY C C 33 175.646 175.646 175.510 0.136 19881 954 1 4 . 1 1 33 33 GLY CA C 33 47.342 47.342 47.246 0.096 19881 955 1 4 . 1 1 33 33 GLY H H 33 8.582 8.582 8.779 -0.197 19881 956 1 4 . 1 1 34 34 ALA N N 34 123.643 123.643 123.923 -0.280 19881 957 1 4 . 1 1 34 34 ALA HA H 34 4.165 4.165 4.258 -0.093 19881 958 1 4 . 1 1 34 34 ALA C C 34 180.302 180.302 179.856 0.446 19881 959 1 4 . 1 1 34 34 ALA CA C 34 54.422 54.422 54.761 -0.339 19881 960 1 4 . 1 1 34 34 ALA CB C 34 18.645 18.645 18.529 0.116 19881 961 1 4 . 1 1 34 34 ALA H H 34 8.012 8.012 7.774 0.238 19881 962 1 4 . 1 1 35 35 SER N N 35 115.942 115.942 115.677 0.265 19881 963 1 4 . 1 1 35 35 SER HA H 35 4.342 4.342 4.252 0.090 19881 964 1 4 . 1 1 35 35 SER C C 35 176.430 176.430 176.844 -0.414 19881 965 1 4 . 1 1 35 35 SER CA C 35 61.552 61.552 61.923 -0.371 19881 966 1 4 . 1 1 35 35 SER CB C 35 63.404 63.404 62.821 0.583 19881 967 1 4 . 1 1 35 35 SER H H 35 8.021 8.021 8.441 -0.420 19881 968 1 4 . 1 1 36 36 ILE N N 36 121.829 121.829 122.809 -0.980 19881 969 1 4 . 1 1 36 36 ILE HA H 36 3.855 3.855 3.810 0.045 19881 970 1 4 . 1 1 36 36 ILE C C 36 177.310 177.310 177.431 -0.121 19881 971 1 4 . 1 1 36 36 ILE CA C 36 64.467 64.467 63.362 1.105 19881 972 1 4 . 1 1 36 36 ILE CB C 36 37.790 37.790 37.539 0.251 19881 973 1 4 . 1 1 36 36 ILE H H 36 8.170 8.170 8.515 -0.345 19881 974 1 4 . 1 1 37 37 LYS N N 37 120.804 120.804 120.977 -0.173 19881 975 1 4 . 1 1 37 37 LYS HA H 37 3.998 3.998 3.977 0.021 19881 976 1 4 . 1 1 37 37 LYS C C 37 178.932 178.932 179.338 -0.406 19881 977 1 4 . 1 1 37 37 LYS CA C 37 59.665 59.665 60.455 -0.790 19881 978 1 4 . 1 1 37 37 LYS CB C 37 32.400 32.400 32.160 0.240 19881 979 1 4 . 1 1 37 37 LYS H H 37 8.039 8.039 8.002 0.037 19881 980 1 4 . 1 1 38 38 GLY N N 38 107.479 107.479 106.465 1.014 19881 981 1 4 . 1 1 38 38 GLY C C 38 176.690 176.690 176.106 0.584 19881 982 1 4 . 1 1 38 38 GLY CA C 38 46.426 46.426 46.965 -0.539 19881 983 1 4 . 1 1 38 38 GLY H H 38 8.145 8.145 8.368 -0.223 19881 984 1 4 . 1 1 39 39 PHE N N 39 122.726 122.726 122.980 -0.254 19881 985 1 4 . 1 1 39 39 PHE HA H 39 4.389 4.389 4.273 0.116 19881 986 1 4 . 1 1 39 39 PHE C C 39 176.506 176.506 177.195 -0.689 19881 987 1 4 . 1 1 39 39 PHE CA C 39 60.235 60.235 61.319 -1.085 19881 988 1 4 . 1 1 39 39 PHE CB C 39 39.354 39.354 39.549 -0.195 19881 989 1 4 . 1 1 39 39 PHE H H 39 8.078 8.078 8.007 0.071 19881 990 1 4 . 1 1 40 40 LYS N N 40 119.668 119.668 119.564 0.104 19881 991 1 4 . 1 1 40 40 LYS HA H 40 3.925 3.925 3.949 -0.024 19881 992 1 4 . 1 1 40 40 LYS C C 40 178.275 178.275 178.769 -0.494 19881 993 1 4 . 1 1 40 40 LYS CA C 40 58.940 58.940 59.565 -0.625 19881 994 1 4 . 1 1 40 40 LYS CB C 40 32.523 32.523 32.428 0.095 19881 995 1 4 . 1 1 40 40 LYS H H 40 8.192 8.192 8.998 -0.806 19881 996 1 4 . 1 1 41 41 LYS N N 41 120.878 120.878 119.717 1.161 19881 997 1 4 . 1 1 41 41 LYS HA H 41 4.109 4.109 4.044 0.065 19881 998 1 4 . 1 1 41 41 LYS C C 41 177.740 177.740 178.254 -0.514 19881 999 1 4 . 1 1 41 41 LYS CA C 41 58.105 58.105 59.013 -0.908 19881 1000 1 4 . 1 1 41 41 LYS CB C 41 32.516 32.516 32.418 0.098 19881 1001 1 4 . 1 1 41 41 LYS H H 41 7.997 7.997 8.155 -0.158 19881 1002 1 4 . 1 1 42 42 ALA N N 42 122.719 122.719 120.490 2.229 19881 1003 1 4 . 1 1 42 42 ALA HA H 42 4.213 4.213 4.067 0.146 19881 1004 1 4 . 1 1 42 42 ALA C C 42 178.450 178.450 178.870 -0.420 19881 1005 1 4 . 1 1 42 42 ALA CA C 42 53.586 53.586 54.325 -0.739 19881 1006 1 4 . 1 1 42 42 ALA CB C 42 18.919 18.919 18.868 0.051 19881 1007 1 4 . 1 1 42 42 ALA H H 42 7.900 7.900 7.526 0.374 19881 1008 1 4 . 1 1 43 43 MET N N 43 115.999 115.999 116.352 -0.353 19881 1009 1 4 . 1 1 43 43 MET HA H 43 4.415 4.415 4.299 0.116 19881 1010 1 4 . 1 1 43 43 MET C C 43 176.270 176.270 177.167 -0.897 19881 1011 1 4 . 1 1 43 43 MET CA C 43 55.488 55.488 56.909 -1.421 19881 1012 1 4 . 1 1 43 43 MET CB C 43 33.279 33.279 33.500 -0.221 19881 1013 1 4 . 1 1 43 43 MET H H 43 7.757 7.757 7.400 0.357 19881 1014 1 4 . 1 1 44 44 SER N N 44 115.396 115.396 113.074 2.322 19881 1015 1 4 . 1 1 44 44 SER HA H 44 4.463 4.463 4.003 0.460 19881 1016 1 4 . 1 1 44 44 SER C C 44 173.950 173.950 174.685 -0.735 19881 1017 1 4 . 1 1 44 44 SER CA C 44 58.536 58.536 59.780 -1.244 19881 1018 1 4 . 1 1 44 44 SER CB C 44 64.380 64.380 62.027 2.353 19881 1019 1 4 . 1 1 44 44 SER H H 44 7.821 7.821 8.405 -0.584 19881 1020 1 4 . 1 1 45 45 ASP N N 45 123.208 123.208 122.029 1.179 19881 1021 1 4 . 1 1 45 45 ASP HA H 45 4.576 4.576 4.239 0.337 19881 1022 1 4 . 1 1 45 45 ASP C C 45 175.990 175.990 175.759 0.231 19881 1023 1 4 . 1 1 45 45 ASP CA C 45 54.264 54.264 55.954 -1.690 19881 1024 1 4 . 1 1 45 45 ASP CB C 45 41.410 41.410 40.023 1.387 19881 1025 1 4 . 1 1 45 45 ASP H H 45 8.293 8.293 8.397 -0.104 19881 1026 1 4 . 1 1 46 46 ASP N N 46 121.430 121.430 121.520 -0.090 19881 1027 1 4 . 1 1 46 46 ASP HA H 46 4.542 4.542 4.519 0.023 19881 1028 1 4 . 1 1 46 46 ASP C C 46 176.060 176.060 175.923 0.137 19881 1029 1 4 . 1 1 46 46 ASP CA C 46 54.250 54.250 54.189 0.061 19881 1030 1 4 . 1 1 46 46 ASP CB C 46 41.500 41.500 40.316 1.184 19881 1031 1 4 . 1 1 46 46 ASP H H 46 8.239 8.239 8.389 -0.150 19881 1032 1 4 . 1 1 47 47 GLU N N 47 123.031 123.031 118.833 4.198 19881 1033 1 4 . 1 1 47 47 GLU HA H 47 4.528 4.528 4.115 0.413 19881 1034 1 4 . 1 1 47 47 GLU CA C 47 54.651 54.651 56.330 -1.679 19881 1035 1 4 . 1 1 47 47 GLU CB C 47 29.910 29.910 29.317 0.593 19881 1036 1 4 . 1 1 47 47 GLU H H 47 8.163 8.163 7.851 0.312 19881 1037 1 5 . 1 1 2 2 GLY N N 2 109.485 109.485 107.181 2.304 19881 1038 1 5 . 1 1 2 2 GLY C C 2 174.370 174.370 174.938 -0.568 19881 1039 1 5 . 1 1 2 2 GLY CA C 2 46.411 46.411 44.702 1.709 19881 1040 1 5 . 1 1 2 2 GLY H H 2 8.713 8.713 8.228 0.485 19881 1041 1 5 . 1 1 3 3 GLY N N 3 108.308 108.308 107.146 1.162 19881 1042 1 5 . 1 1 3 3 GLY C C 3 173.840 173.840 175.466 -1.626 19881 1043 1 5 . 1 1 3 3 GLY CA C 3 45.276 45.276 45.820 -0.544 19881 1044 1 5 . 1 1 3 3 GLY H H 3 8.326 8.326 8.514 -0.188 19881 1045 1 5 . 1 1 4 4 ILE N N 4 120.682 120.682 118.667 2.015 19881 1046 1 5 . 1 1 4 4 ILE HA H 4 4.330 4.330 4.068 0.262 19881 1047 1 5 . 1 1 4 4 ILE CA C 4 60.610 60.610 62.666 -2.057 19881 1048 1 5 . 1 1 4 4 ILE CB C 4 39.100 39.100 38.616 0.484 19881 1049 1 5 . 1 1 4 4 ILE H H 4 7.605 7.605 8.110 -0.505 19881 1050 1 5 . 1 1 5 5 SER N N 5 121.157 121.157 112.401 8.756 19881 1051 1 5 . 1 1 5 5 SER HA H 5 4.676 4.676 4.574 0.102 19881 1052 1 5 . 1 1 5 5 SER C C 5 175.720 175.720 174.375 1.345 19881 1053 1 5 . 1 1 5 5 SER CA C 5 57.000 57.000 57.880 -0.880 19881 1054 1 5 . 1 1 5 5 SER CB C 5 65.760 65.760 64.818 0.942 19881 1055 1 5 . 1 1 5 5 SER H H 5 8.167 8.167 7.937 0.230 19881 1056 1 5 . 1 1 6 6 ILE N N 6 123.227 123.227 122.831 0.396 19881 1057 1 5 . 1 1 6 6 ILE HA H 6 3.771 3.771 4.443 -0.672 19881 1058 1 5 . 1 1 6 6 ILE C C 6 176.660 176.660 177.247 -0.587 19881 1059 1 5 . 1 1 6 6 ILE CA C 6 63.890 63.890 62.187 1.703 19881 1060 1 5 . 1 1 6 6 ILE CB C 6 37.173 37.173 39.146 -1.973 19881 1061 1 5 . 1 1 6 6 ILE H H 6 9.080 9.080 8.439 0.641 19881 1062 1 5 . 1 1 7 7 TRP N N 7 119.286 119.286 121.381 -2.095 19881 1063 1 5 . 1 1 7 7 TRP HA H 7 4.365 4.365 4.321 0.044 19881 1064 1 5 . 1 1 7 7 TRP C C 7 177.800 177.800 177.512 0.288 19881 1065 1 5 . 1 1 7 7 TRP CA C 7 59.411 59.411 60.935 -1.524 19881 1066 1 5 . 1 1 7 7 TRP CB C 7 29.263 29.263 28.888 0.375 19881 1067 1 5 . 1 1 7 7 TRP H H 7 7.536 7.536 8.394 -0.858 19881 1068 1 5 . 1 1 8 8 GLN N N 8 117.821 117.821 117.481 0.340 19881 1069 1 5 . 1 1 8 8 GLN HA H 8 3.732 3.732 3.993 -0.261 19881 1070 1 5 . 1 1 8 8 GLN C C 8 177.765 177.765 178.271 -0.506 19881 1071 1 5 . 1 1 8 8 GLN CA C 8 59.367 59.367 59.308 0.059 19881 1072 1 5 . 1 1 8 8 GLN CB C 8 28.094 28.094 27.801 0.293 19881 1073 1 5 . 1 1 8 8 GLN H H 8 7.132 7.132 8.713 -1.581 19881 1074 1 5 . 1 1 9 9 LEU N N 9 118.175 118.175 120.292 -2.117 19881 1075 1 5 . 1 1 9 9 LEU HA H 9 3.916 3.916 3.951 -0.035 19881 1076 1 5 . 1 1 9 9 LEU C C 9 178.096 178.096 178.868 -0.772 19881 1077 1 5 . 1 1 9 9 LEU CA C 9 58.057 58.057 57.578 0.479 19881 1078 1 5 . 1 1 9 9 LEU CB C 9 41.803 41.803 41.575 0.228 19881 1079 1 5 . 1 1 9 9 LEU H H 9 7.680 7.680 7.658 0.022 19881 1080 1 5 . 1 1 10 10 LEU N N 10 118.370 118.370 120.359 -1.989 19881 1081 1 5 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.800 0.154 19881 1082 1 5 . 1 1 10 10 LEU C C 10 177.930 177.930 178.976 -1.046 19881 1083 1 5 . 1 1 10 10 LEU CA C 10 58.215 58.215 58.231 -0.016 19881 1084 1 5 . 1 1 10 10 LEU CB C 10 41.770 41.770 41.637 0.133 19881 1085 1 5 . 1 1 10 10 LEU H H 10 8.182 8.182 8.068 0.114 19881 1086 1 5 . 1 1 11 11 ILE N N 11 117.907 117.907 119.374 -1.467 19881 1087 1 5 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.435 0.181 19881 1088 1 5 . 1 1 11 11 ILE C C 11 177.370 177.370 177.840 -0.470 19881 1089 1 5 . 1 1 11 11 ILE CA C 11 65.245 65.245 65.755 -0.510 19881 1090 1 5 . 1 1 11 11 ILE CB C 11 37.290 37.290 37.794 -0.504 19881 1091 1 5 . 1 1 11 11 ILE H H 11 7.676 7.676 7.248 0.428 19881 1092 1 5 . 1 1 12 12 ILE N N 12 118.851 118.851 120.145 -1.294 19881 1093 1 5 . 1 1 12 12 ILE HA H 12 3.525 3.525 3.560 -0.035 19881 1094 1 5 . 1 1 12 12 ILE C C 12 176.908 176.908 177.778 -0.870 19881 1095 1 5 . 1 1 12 12 ILE CA C 12 65.463 65.463 65.560 -0.097 19881 1096 1 5 . 1 1 12 12 ILE CB C 12 37.450 37.450 37.651 -0.201 19881 1097 1 5 . 1 1 12 12 ILE H H 12 7.756 7.756 7.917 -0.161 19881 1098 1 5 . 1 1 13 13 ALA N N 13 121.114 121.114 122.523 -1.409 19881 1099 1 5 . 1 1 13 13 ALA HA H 13 3.822 3.822 4.029 -0.207 19881 1100 1 5 . 1 1 13 13 ALA C C 13 178.605 178.605 179.576 -0.971 19881 1101 1 5 . 1 1 13 13 ALA CA C 13 55.753 55.753 55.426 0.327 19881 1102 1 5 . 1 1 13 13 ALA CB C 13 17.799 17.799 18.100 -0.301 19881 1103 1 5 . 1 1 13 13 ALA H H 13 8.367 8.367 8.762 -0.395 19881 1104 1 5 . 1 1 14 14 VAL N N 14 116.560 116.560 119.829 -3.269 19881 1105 1 5 . 1 1 14 14 VAL HA H 14 3.418 3.418 3.646 -0.228 19881 1106 1 5 . 1 1 14 14 VAL C C 14 177.236 177.236 177.803 -0.567 19881 1107 1 5 . 1 1 14 14 VAL CA C 14 67.304 67.304 66.511 0.793 19881 1108 1 5 . 1 1 14 14 VAL CB C 14 31.360 31.360 31.510 -0.150 19881 1109 1 5 . 1 1 14 14 VAL H H 14 8.164 8.164 7.863 0.301 19881 1110 1 5 . 1 1 15 15 ILE N N 15 119.573 119.573 117.324 2.249 19881 1111 1 5 . 1 1 15 15 ILE HA H 15 3.517 3.517 3.712 -0.195 19881 1112 1 5 . 1 1 15 15 ILE C C 15 177.490 177.490 177.766 -0.276 19881 1113 1 5 . 1 1 15 15 ILE CA C 15 65.828 65.828 65.376 0.452 19881 1114 1 5 . 1 1 15 15 ILE CB C 15 37.364 37.364 37.312 0.052 19881 1115 1 5 . 1 1 15 15 ILE H H 15 8.045 8.045 7.669 0.376 19881 1116 1 5 . 1 1 16 16 VAL N N 16 118.777 118.777 121.285 -2.508 19881 1117 1 5 . 1 1 16 16 VAL HA H 16 3.597 3.597 3.796 -0.199 19881 1118 1 5 . 1 1 16 16 VAL C C 16 177.993 177.993 178.363 -0.370 19881 1119 1 5 . 1 1 16 16 VAL CA C 16 67.680 67.680 67.170 0.510 19881 1120 1 5 . 1 1 16 16 VAL CB C 16 31.240 31.240 31.790 -0.550 19881 1121 1 5 . 1 1 16 16 VAL H H 16 8.481 8.481 8.047 0.434 19881 1122 1 5 . 1 1 17 17 VAL N N 17 120.072 120.072 119.917 0.155 19881 1123 1 5 . 1 1 17 17 VAL HA H 17 3.602 3.602 3.628 -0.026 19881 1124 1 5 . 1 1 17 17 VAL C C 17 178.199 178.199 178.061 0.138 19881 1125 1 5 . 1 1 17 17 VAL CA C 17 67.426 67.426 66.813 0.613 19881 1126 1 5 . 1 1 17 17 VAL CB C 17 31.187 31.187 31.749 -0.562 19881 1127 1 5 . 1 1 17 17 VAL H H 17 8.329 8.329 8.126 0.203 19881 1128 1 5 . 1 1 18 18 LEU N N 18 120.167 120.167 118.102 2.065 19881 1129 1 5 . 1 1 18 18 LEU HA H 18 4.012 4.012 4.174 -0.162 19881 1130 1 5 . 1 1 18 18 LEU C C 18 178.985 178.985 178.966 0.019 19881 1131 1 5 . 1 1 18 18 LEU CA C 18 58.130 58.130 58.299 -0.169 19881 1132 1 5 . 1 1 18 18 LEU CB C 18 42.045 42.045 41.149 0.896 19881 1133 1 5 . 1 1 18 18 LEU H H 18 8.413 8.413 7.698 0.715 19881 1134 1 5 . 1 1 19 19 LEU N N 19 118.603 118.603 119.964 -1.361 19881 1135 1 5 . 1 1 19 19 LEU HA H 19 3.984 3.984 4.000 -0.016 19881 1136 1 5 . 1 1 19 19 LEU C C 19 178.510 178.510 178.928 -0.418 19881 1137 1 5 . 1 1 19 19 LEU CA C 19 57.831 57.831 57.810 0.021 19881 1138 1 5 . 1 1 19 19 LEU CB C 19 42.406 42.406 41.424 0.982 19881 1139 1 5 . 1 1 19 19 LEU H H 19 8.420 8.420 8.413 0.007 19881 1140 1 5 . 1 1 20 20 PHE N N 20 116.154 116.154 116.720 -0.566 19881 1141 1 5 . 1 1 20 20 PHE HA H 20 4.508 4.508 4.238 0.270 19881 1142 1 5 . 1 1 20 20 PHE C C 20 178.062 178.062 176.509 1.553 19881 1143 1 5 . 1 1 20 20 PHE CA C 20 60.202 60.202 60.505 -0.303 19881 1144 1 5 . 1 1 20 20 PHE CB C 20 40.126 40.126 39.701 0.425 19881 1145 1 5 . 1 1 20 20 PHE H H 20 8.451 8.451 8.611 -0.160 19881 1146 1 5 . 1 1 21 21 GLY N N 21 108.705 108.705 104.616 4.089 19881 1147 1 5 . 1 1 21 21 GLY C C 21 173.997 173.997 174.455 -0.458 19881 1148 1 5 . 1 1 21 21 GLY CA C 21 46.189 46.189 44.965 1.224 19881 1149 1 5 . 1 1 21 21 GLY H H 21 8.754 8.754 7.815 0.939 19881 1150 1 5 . 1 1 22 22 THR N N 22 111.556 111.556 111.032 0.524 19881 1151 1 5 . 1 1 22 22 THR HA H 22 4.080 4.080 3.936 0.144 19881 1152 1 5 . 1 1 22 22 THR CA C 22 64.722 64.722 63.462 1.260 19881 1153 1 5 . 1 1 22 22 THR CB C 22 69.150 69.150 68.060 1.090 19881 1154 1 5 . 1 1 22 22 THR H H 22 8.190 8.190 8.009 0.181 19881 1155 1 5 . 1 1 23 23 LYS N N 23 121.733 121.733 120.576 1.157 19881 1156 1 5 . 1 1 23 23 LYS HA H 23 4.175 4.175 4.469 -0.294 19881 1157 1 5 . 1 1 23 23 LYS C C 23 178.622 178.622 176.722 1.900 19881 1158 1 5 . 1 1 23 23 LYS CA C 23 58.378 58.378 56.909 1.469 19881 1159 1 5 . 1 1 23 23 LYS CB C 23 31.639 31.639 33.837 -2.198 19881 1160 1 5 . 1 1 23 23 LYS H H 23 8.165 8.165 8.438 -0.273 19881 1161 1 5 . 1 1 24 24 LYS N N 24 118.854 118.854 121.347 -2.493 19881 1162 1 5 . 1 1 24 24 LYS HA H 24 4.246 4.246 4.422 -0.176 19881 1163 1 5 . 1 1 24 24 LYS C C 24 177.705 177.705 178.177 -0.472 19881 1164 1 5 . 1 1 24 24 LYS CA C 24 57.026 57.026 58.611 -1.585 19881 1165 1 5 . 1 1 24 24 LYS CB C 24 32.471 32.471 32.407 0.064 19881 1166 1 5 . 1 1 24 24 LYS H H 24 8.144 8.144 8.174 -0.030 19881 1167 1 5 . 1 1 25 25 LEU N N 25 118.583 118.583 119.693 -1.110 19881 1168 1 5 . 1 1 25 25 LEU HA H 25 4.148 4.148 4.072 0.076 19881 1169 1 5 . 1 1 25 25 LEU C C 25 177.815 177.815 178.812 -0.997 19881 1170 1 5 . 1 1 25 25 LEU CA C 25 56.511 56.511 57.960 -1.449 19881 1171 1 5 . 1 1 25 25 LEU CB C 25 41.955 41.955 40.623 1.332 19881 1172 1 5 . 1 1 25 25 LEU H H 25 7.820 7.820 8.082 -0.262 19881 1173 1 5 . 1 1 26 26 GLY N N 26 106.160 106.160 103.649 2.511 19881 1174 1 5 . 1 1 26 26 GLY C C 26 175.013 175.013 175.573 -0.560 19881 1175 1 5 . 1 1 26 26 GLY CA C 26 46.414 46.414 46.449 -0.035 19881 1176 1 5 . 1 1 26 26 GLY H H 26 8.146 8.146 8.308 -0.162 19881 1177 1 5 . 1 1 27 27 SER N N 27 116.361 116.361 115.971 0.390 19881 1178 1 5 . 1 1 27 27 SER HA H 27 4.441 4.441 4.469 -0.028 19881 1179 1 5 . 1 1 27 27 SER C C 27 175.407 175.407 175.829 -0.422 19881 1180 1 5 . 1 1 27 27 SER CA C 27 59.665 59.665 60.502 -0.837 19881 1181 1 5 . 1 1 27 27 SER CB C 27 63.672 63.672 63.986 -0.314 19881 1182 1 5 . 1 1 27 27 SER H H 27 8.046 8.046 7.727 0.319 19881 1183 1 5 . 1 1 28 28 ILE N N 28 121.108 121.108 116.325 4.783 19881 1184 1 5 . 1 1 28 28 ILE HA H 28 4.090 4.090 4.357 -0.267 19881 1185 1 5 . 1 1 28 28 ILE C C 28 176.733 176.733 177.317 -0.584 19881 1186 1 5 . 1 1 28 28 ILE CA C 28 62.883 62.883 63.222 -0.339 19881 1187 1 5 . 1 1 28 28 ILE CB C 28 38.348 38.348 38.433 -0.085 19881 1188 1 5 . 1 1 28 28 ILE H H 28 7.847 7.847 8.713 -0.866 19881 1189 1 5 . 1 1 29 29 GLY N N 29 109.304 109.304 108.912 0.392 19881 1190 1 5 . 1 1 29 29 GLY C C 29 174.534 174.534 176.010 -1.476 19881 1191 1 5 . 1 1 29 29 GLY CA C 29 46.278 46.278 47.695 -1.417 19881 1192 1 5 . 1 1 29 29 GLY H H 29 8.329 8.329 8.393 -0.064 19881 1193 1 5 . 1 1 30 30 SER N N 30 115.814 115.814 116.511 -0.697 19881 1194 1 5 . 1 1 30 30 SER HA H 30 4.301 4.301 4.129 0.172 19881 1195 1 5 . 1 1 30 30 SER C C 30 175.445 175.445 176.291 -0.846 19881 1196 1 5 . 1 1 30 30 SER CA C 30 60.378 60.378 61.803 -1.425 19881 1197 1 5 . 1 1 30 30 SER CB C 30 63.575 63.575 63.014 0.561 19881 1198 1 5 . 1 1 30 30 SER H H 30 8.026 8.026 8.036 -0.010 19881 1199 1 5 . 1 1 31 31 ASP N N 31 122.351 122.351 122.548 -0.197 19881 1200 1 5 . 1 1 31 31 ASP HA H 31 4.648 4.648 4.613 0.035 19881 1201 1 5 . 1 1 31 31 ASP C C 31 177.501 177.501 178.101 -0.600 19881 1202 1 5 . 1 1 31 31 ASP CA C 31 55.138 55.138 56.306 -1.167 19881 1203 1 5 . 1 1 31 31 ASP CB C 31 40.847 40.847 40.901 -0.054 19881 1204 1 5 . 1 1 31 31 ASP H H 31 8.261 8.261 7.589 0.672 19881 1205 1 5 . 1 1 32 32 LEU N N 32 123.303 123.303 120.981 2.322 19881 1206 1 5 . 1 1 32 32 LEU HA H 32 4.146 4.146 4.136 0.010 19881 1207 1 5 . 1 1 32 32 LEU C C 32 178.653 178.653 179.193 -0.540 19881 1208 1 5 . 1 1 32 32 LEU CA C 32 57.539 57.539 57.806 -0.267 19881 1209 1 5 . 1 1 32 32 LEU CB C 32 42.175 42.175 41.641 0.534 19881 1210 1 5 . 1 1 32 32 LEU H H 32 8.400 8.400 8.243 0.157 19881 1211 1 5 . 1 1 33 33 GLY N N 33 107.221 107.221 106.464 0.757 19881 1212 1 5 . 1 1 33 33 GLY C C 33 175.646 175.646 175.451 0.195 19881 1213 1 5 . 1 1 33 33 GLY CA C 33 47.342 47.342 47.302 0.040 19881 1214 1 5 . 1 1 33 33 GLY H H 33 8.582 8.582 8.770 -0.188 19881 1215 1 5 . 1 1 34 34 ALA N N 34 123.643 123.643 123.756 -0.113 19881 1216 1 5 . 1 1 34 34 ALA HA H 34 4.165 4.165 4.190 -0.025 19881 1217 1 5 . 1 1 34 34 ALA C C 34 180.302 180.302 179.586 0.716 19881 1218 1 5 . 1 1 34 34 ALA CA C 34 54.422 54.422 54.838 -0.416 19881 1219 1 5 . 1 1 34 34 ALA CB C 34 18.645 18.645 18.264 0.382 19881 1220 1 5 . 1 1 34 34 ALA H H 34 8.012 8.012 7.665 0.347 19881 1221 1 5 . 1 1 35 35 SER N N 35 115.942 115.942 115.112 0.830 19881 1222 1 5 . 1 1 35 35 SER HA H 35 4.342 4.342 4.278 0.064 19881 1223 1 5 . 1 1 35 35 SER C C 35 176.430 176.430 176.922 -0.492 19881 1224 1 5 . 1 1 35 35 SER CA C 35 61.552 61.552 61.391 0.161 19881 1225 1 5 . 1 1 35 35 SER CB C 35 63.404 63.404 62.926 0.478 19881 1226 1 5 . 1 1 35 35 SER H H 35 8.021 8.021 8.090 -0.069 19881 1227 1 5 . 1 1 36 36 ILE N N 36 121.829 121.829 122.667 -0.838 19881 1228 1 5 . 1 1 36 36 ILE HA H 36 3.855 3.855 3.863 -0.008 19881 1229 1 5 . 1 1 36 36 ILE C C 36 177.310 177.310 177.457 -0.147 19881 1230 1 5 . 1 1 36 36 ILE CA C 36 64.467 64.467 63.290 1.177 19881 1231 1 5 . 1 1 36 36 ILE CB C 36 37.790 37.790 37.691 0.099 19881 1232 1 5 . 1 1 36 36 ILE H H 36 8.170 8.170 8.379 -0.209 19881 1233 1 5 . 1 1 37 37 LYS N N 37 120.804 120.804 121.377 -0.573 19881 1234 1 5 . 1 1 37 37 LYS HA H 37 3.998 3.998 3.900 0.098 19881 1235 1 5 . 1 1 37 37 LYS C C 37 178.932 178.932 179.177 -0.245 19881 1236 1 5 . 1 1 37 37 LYS CA C 37 59.665 59.665 60.575 -0.910 19881 1237 1 5 . 1 1 37 37 LYS CB C 37 32.400 32.400 32.176 0.224 19881 1238 1 5 . 1 1 37 37 LYS H H 37 8.039 8.039 8.219 -0.180 19881 1239 1 5 . 1 1 38 38 GLY N N 38 107.479 107.479 106.460 1.019 19881 1240 1 5 . 1 1 38 38 GLY C C 38 176.690 176.690 176.005 0.685 19881 1241 1 5 . 1 1 38 38 GLY CA C 38 46.426 46.426 46.962 -0.535 19881 1242 1 5 . 1 1 38 38 GLY H H 38 8.145 8.145 8.229 -0.084 19881 1243 1 5 . 1 1 39 39 PHE N N 39 122.726 122.726 123.529 -0.803 19881 1244 1 5 . 1 1 39 39 PHE HA H 39 4.389 4.389 4.189 0.200 19881 1245 1 5 . 1 1 39 39 PHE C C 39 176.506 176.506 177.096 -0.590 19881 1246 1 5 . 1 1 39 39 PHE CA C 39 60.235 60.235 61.249 -1.014 19881 1247 1 5 . 1 1 39 39 PHE CB C 39 39.354 39.354 39.478 -0.124 19881 1248 1 5 . 1 1 39 39 PHE H H 39 8.078 8.078 8.025 0.053 19881 1249 1 5 . 1 1 40 40 LYS N N 40 119.668 119.668 119.367 0.301 19881 1250 1 5 . 1 1 40 40 LYS HA H 40 3.925 3.925 3.949 -0.024 19881 1251 1 5 . 1 1 40 40 LYS C C 40 178.275 178.275 178.832 -0.557 19881 1252 1 5 . 1 1 40 40 LYS CA C 40 58.940 58.940 59.834 -0.894 19881 1253 1 5 . 1 1 40 40 LYS CB C 40 32.523 32.523 32.375 0.148 19881 1254 1 5 . 1 1 40 40 LYS H H 40 8.192 8.192 9.048 -0.856 19881 1255 1 5 . 1 1 41 41 LYS N N 41 120.878 120.878 119.002 1.876 19881 1256 1 5 . 1 1 41 41 LYS HA H 41 4.109 4.109 4.022 0.087 19881 1257 1 5 . 1 1 41 41 LYS C C 41 177.740 177.740 177.627 0.113 19881 1258 1 5 . 1 1 41 41 LYS CA C 41 58.105 58.105 58.998 -0.893 19881 1259 1 5 . 1 1 41 41 LYS CB C 41 32.516 32.516 32.408 0.107 19881 1260 1 5 . 1 1 41 41 LYS H H 41 7.997 7.997 8.254 -0.257 19881 1261 1 5 . 1 1 42 42 ALA N N 42 122.719 122.719 120.928 1.791 19881 1262 1 5 . 1 1 42 42 ALA HA H 42 4.213 4.213 4.109 0.104 19881 1263 1 5 . 1 1 42 42 ALA C C 42 178.450 178.450 179.076 -0.626 19881 1264 1 5 . 1 1 42 42 ALA CA C 42 53.586 53.586 53.995 -0.409 19881 1265 1 5 . 1 1 42 42 ALA CB C 42 18.919 18.919 18.692 0.227 19881 1266 1 5 . 1 1 42 42 ALA H H 42 7.900 7.900 7.606 0.294 19881 1267 1 5 . 1 1 43 43 MET N N 43 115.999 115.999 116.036 -0.037 19881 1268 1 5 . 1 1 43 43 MET HA H 43 4.415 4.415 4.349 0.066 19881 1269 1 5 . 1 1 43 43 MET C C 43 176.270 176.270 176.602 -0.332 19881 1270 1 5 . 1 1 43 43 MET CA C 43 55.488 55.488 54.886 0.602 19881 1271 1 5 . 1 1 43 43 MET CB C 43 33.279 33.279 32.811 0.468 19881 1272 1 5 . 1 1 43 43 MET H H 43 7.757 7.757 7.781 -0.024 19881 1273 1 5 . 1 1 44 44 SER N N 44 115.396 115.396 116.195 -0.799 19881 1274 1 5 . 1 1 44 44 SER HA H 44 4.463 4.463 4.436 0.027 19881 1275 1 5 . 1 1 44 44 SER C C 44 173.950 173.950 174.010 -0.060 19881 1276 1 5 . 1 1 44 44 SER CA C 44 58.536 58.536 59.593 -1.057 19881 1277 1 5 . 1 1 44 44 SER CB C 44 64.380 64.380 63.951 0.429 19881 1278 1 5 . 1 1 44 44 SER H H 44 7.821 7.821 7.921 -0.100 19881 1279 1 5 . 1 1 45 45 ASP N N 45 123.208 123.208 120.321 2.887 19881 1280 1 5 . 1 1 45 45 ASP HA H 45 4.576 4.576 4.744 -0.168 19881 1281 1 5 . 1 1 45 45 ASP C C 45 175.990 175.990 176.655 -0.665 19881 1282 1 5 . 1 1 45 45 ASP CA C 45 54.264 54.264 54.695 -0.431 19881 1283 1 5 . 1 1 45 45 ASP CB C 45 41.410 41.410 41.716 -0.306 19881 1284 1 5 . 1 1 45 45 ASP H H 45 8.293 8.293 8.383 -0.090 19881 1285 1 5 . 1 1 46 46 ASP N N 46 121.430 121.430 122.455 -1.025 19881 1286 1 5 . 1 1 46 46 ASP HA H 46 4.542 4.542 4.585 -0.043 19881 1287 1 5 . 1 1 46 46 ASP C C 46 176.060 176.060 175.789 0.271 19881 1288 1 5 . 1 1 46 46 ASP CA C 46 54.250 54.250 53.280 0.970 19881 1289 1 5 . 1 1 46 46 ASP CB C 46 41.500 41.500 39.498 2.002 19881 1290 1 5 . 1 1 46 46 ASP H H 46 8.239 8.239 8.499 -0.260 19881 1291 1 5 . 1 1 47 47 GLU N N 47 123.031 123.031 121.158 1.873 19881 1292 1 5 . 1 1 47 47 GLU HA H 47 4.528 4.528 4.319 0.208 19881 1293 1 5 . 1 1 47 47 GLU CA C 47 54.651 54.651 55.601 -0.950 19881 1294 1 5 . 1 1 47 47 GLU CB C 47 29.910 29.910 29.877 0.033 19881 1295 1 5 . 1 1 47 47 GLU H H 47 8.163 8.163 7.891 0.272 19881 1296 1 6 . 1 1 2 2 GLY N N 2 109.485 109.485 109.452 0.033 19881 1297 1 6 . 1 1 2 2 GLY C C 2 174.370 174.370 174.669 -0.299 19881 1298 1 6 . 1 1 2 2 GLY CA C 2 46.411 46.411 45.338 1.073 19881 1299 1 6 . 1 1 2 2 GLY H H 2 8.713 8.713 8.594 0.119 19881 1300 1 6 . 1 1 3 3 GLY N N 3 108.308 108.308 106.640 1.668 19881 1301 1 6 . 1 1 3 3 GLY C C 3 173.840 173.840 173.408 0.432 19881 1302 1 6 . 1 1 3 3 GLY CA C 3 45.276 45.276 44.720 0.556 19881 1303 1 6 . 1 1 3 3 GLY H H 3 8.326 8.326 7.463 0.863 19881 1304 1 6 . 1 1 4 4 ILE N N 4 120.682 120.682 122.639 -1.957 19881 1305 1 6 . 1 1 4 4 ILE HA H 4 4.330 4.330 4.339 -0.009 19881 1306 1 6 . 1 1 4 4 ILE CA C 4 60.610 60.610 61.122 -0.512 19881 1307 1 6 . 1 1 4 4 ILE CB C 4 39.100 39.100 38.163 0.937 19881 1308 1 6 . 1 1 4 4 ILE H H 4 7.605 7.605 7.978 -0.373 19881 1309 1 6 . 1 1 5 5 SER N N 5 121.157 121.157 122.818 -1.661 19881 1310 1 6 . 1 1 5 5 SER HA H 5 4.676 4.676 4.775 -0.099 19881 1311 1 6 . 1 1 5 5 SER C C 5 175.720 175.720 175.064 0.656 19881 1312 1 6 . 1 1 5 5 SER CA C 5 57.000 57.000 57.863 -0.863 19881 1313 1 6 . 1 1 5 5 SER CB C 5 65.760 65.760 64.942 0.818 19881 1314 1 6 . 1 1 5 5 SER H H 5 8.167 8.167 8.335 -0.168 19881 1315 1 6 . 1 1 6 6 ILE N N 6 123.227 123.227 123.002 0.225 19881 1316 1 6 . 1 1 6 6 ILE HA H 6 3.771 3.771 4.348 -0.577 19881 1317 1 6 . 1 1 6 6 ILE C C 6 176.660 176.660 177.219 -0.559 19881 1318 1 6 . 1 1 6 6 ILE CA C 6 63.890 63.890 62.529 1.361 19881 1319 1 6 . 1 1 6 6 ILE CB C 6 37.173 37.173 38.698 -1.525 19881 1320 1 6 . 1 1 6 6 ILE H H 6 9.080 9.080 8.382 0.698 19881 1321 1 6 . 1 1 7 7 TRP N N 7 119.286 119.286 122.088 -2.802 19881 1322 1 6 . 1 1 7 7 TRP HA H 7 4.365 4.365 4.273 0.092 19881 1323 1 6 . 1 1 7 7 TRP C C 7 177.800 177.800 177.544 0.256 19881 1324 1 6 . 1 1 7 7 TRP CA C 7 59.411 59.411 61.060 -1.649 19881 1325 1 6 . 1 1 7 7 TRP CB C 7 29.263 29.263 28.965 0.298 19881 1326 1 6 . 1 1 7 7 TRP H H 7 7.536 7.536 8.144 -0.608 19881 1327 1 6 . 1 1 8 8 GLN N N 8 117.821 117.821 117.615 0.206 19881 1328 1 6 . 1 1 8 8 GLN HA H 8 3.732 3.732 3.809 -0.077 19881 1329 1 6 . 1 1 8 8 GLN C C 8 177.765 177.765 178.490 -0.725 19881 1330 1 6 . 1 1 8 8 GLN CA C 8 59.367 59.367 58.836 0.531 19881 1331 1 6 . 1 1 8 8 GLN CB C 8 28.094 28.094 28.268 -0.174 19881 1332 1 6 . 1 1 8 8 GLN H H 8 7.132 7.132 8.493 -1.361 19881 1333 1 6 . 1 1 9 9 LEU N N 9 118.175 118.175 120.363 -2.188 19881 1334 1 6 . 1 1 9 9 LEU HA H 9 3.916 3.916 3.977 -0.061 19881 1335 1 6 . 1 1 9 9 LEU C C 9 178.096 178.096 178.900 -0.804 19881 1336 1 6 . 1 1 9 9 LEU CA C 9 58.057 58.057 57.390 0.667 19881 1337 1 6 . 1 1 9 9 LEU CB C 9 41.803 41.803 41.611 0.192 19881 1338 1 6 . 1 1 9 9 LEU H H 9 7.680 7.680 7.524 0.156 19881 1339 1 6 . 1 1 10 10 LEU N N 10 118.370 118.370 121.133 -2.763 19881 1340 1 6 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.826 0.128 19881 1341 1 6 . 1 1 10 10 LEU C C 10 177.930 177.930 178.693 -0.763 19881 1342 1 6 . 1 1 10 10 LEU CA C 10 58.215 58.215 58.294 -0.078 19881 1343 1 6 . 1 1 10 10 LEU CB C 10 41.770 41.770 41.795 -0.025 19881 1344 1 6 . 1 1 10 10 LEU H H 10 8.182 8.182 8.195 -0.013 19881 1345 1 6 . 1 1 11 11 ILE N N 11 117.907 117.907 119.206 -1.299 19881 1346 1 6 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.487 0.129 19881 1347 1 6 . 1 1 11 11 ILE C C 11 177.370 177.370 178.021 -0.651 19881 1348 1 6 . 1 1 11 11 ILE CA C 11 65.245 65.245 65.648 -0.403 19881 1349 1 6 . 1 1 11 11 ILE CB C 11 37.290 37.290 37.489 -0.199 19881 1350 1 6 . 1 1 11 11 ILE H H 11 7.676 7.676 7.245 0.431 19881 1351 1 6 . 1 1 12 12 ILE N N 12 118.851 118.851 120.374 -1.523 19881 1352 1 6 . 1 1 12 12 ILE HA H 12 3.525 3.525 3.641 -0.116 19881 1353 1 6 . 1 1 12 12 ILE C C 12 176.908 176.908 177.804 -0.896 19881 1354 1 6 . 1 1 12 12 ILE CA C 12 65.463 65.463 63.735 1.728 19881 1355 1 6 . 1 1 12 12 ILE CB C 12 37.450 37.450 36.940 0.510 19881 1356 1 6 . 1 1 12 12 ILE H H 12 7.756 7.756 7.630 0.126 19881 1357 1 6 . 1 1 13 13 ALA N N 13 121.114 121.114 122.441 -1.327 19881 1358 1 6 . 1 1 13 13 ALA HA H 13 3.822 3.822 4.056 -0.234 19881 1359 1 6 . 1 1 13 13 ALA C C 13 178.605 178.605 180.020 -1.415 19881 1360 1 6 . 1 1 13 13 ALA CA C 13 55.753 55.753 55.382 0.371 19881 1361 1 6 . 1 1 13 13 ALA CB C 13 17.799 17.799 18.078 -0.280 19881 1362 1 6 . 1 1 13 13 ALA H H 13 8.367 8.367 8.836 -0.469 19881 1363 1 6 . 1 1 14 14 VAL N N 14 116.560 116.560 119.489 -2.929 19881 1364 1 6 . 1 1 14 14 VAL HA H 14 3.418 3.418 3.659 -0.241 19881 1365 1 6 . 1 1 14 14 VAL C C 14 177.236 177.236 177.956 -0.720 19881 1366 1 6 . 1 1 14 14 VAL CA C 14 67.304 67.304 66.936 0.368 19881 1367 1 6 . 1 1 14 14 VAL CB C 14 31.360 31.360 31.360 -0.000 19881 1368 1 6 . 1 1 14 14 VAL H H 14 8.164 8.164 7.940 0.224 19881 1369 1 6 . 1 1 15 15 ILE N N 15 119.573 119.573 117.501 2.072 19881 1370 1 6 . 1 1 15 15 ILE HA H 15 3.517 3.517 3.747 -0.230 19881 1371 1 6 . 1 1 15 15 ILE C C 15 177.490 177.490 177.934 -0.444 19881 1372 1 6 . 1 1 15 15 ILE CA C 15 65.828 65.828 65.276 0.552 19881 1373 1 6 . 1 1 15 15 ILE CB C 15 37.364 37.364 37.233 0.132 19881 1374 1 6 . 1 1 15 15 ILE H H 15 8.045 8.045 7.698 0.347 19881 1375 1 6 . 1 1 16 16 VAL N N 16 118.777 118.777 121.271 -2.494 19881 1376 1 6 . 1 1 16 16 VAL HA H 16 3.597 3.597 3.891 -0.294 19881 1377 1 6 . 1 1 16 16 VAL C C 16 177.993 177.993 178.299 -0.306 19881 1378 1 6 . 1 1 16 16 VAL CA C 16 67.680 67.680 67.200 0.480 19881 1379 1 6 . 1 1 16 16 VAL CB C 16 31.240 31.240 31.362 -0.122 19881 1380 1 6 . 1 1 16 16 VAL H H 16 8.481 8.481 8.214 0.267 19881 1381 1 6 . 1 1 17 17 VAL N N 17 120.072 120.072 120.186 -0.114 19881 1382 1 6 . 1 1 17 17 VAL HA H 17 3.602 3.602 3.703 -0.101 19881 1383 1 6 . 1 1 17 17 VAL C C 17 178.199 178.199 178.033 0.166 19881 1384 1 6 . 1 1 17 17 VAL CA C 17 67.426 67.426 67.133 0.293 19881 1385 1 6 . 1 1 17 17 VAL CB C 17 31.187 31.187 31.512 -0.325 19881 1386 1 6 . 1 1 17 17 VAL H H 17 8.329 8.329 8.159 0.170 19881 1387 1 6 . 1 1 18 18 LEU N N 18 120.167 120.167 118.501 1.666 19881 1388 1 6 . 1 1 18 18 LEU HA H 18 4.012 4.012 4.132 -0.120 19881 1389 1 6 . 1 1 18 18 LEU C C 18 178.985 178.985 178.986 -0.001 19881 1390 1 6 . 1 1 18 18 LEU CA C 18 58.130 58.130 58.277 -0.147 19881 1391 1 6 . 1 1 18 18 LEU CB C 18 42.045 42.045 41.044 1.001 19881 1392 1 6 . 1 1 18 18 LEU H H 18 8.413 8.413 7.711 0.702 19881 1393 1 6 . 1 1 19 19 LEU N N 19 118.603 118.603 118.338 0.265 19881 1394 1 6 . 1 1 19 19 LEU HA H 19 3.984 3.984 4.050 -0.066 19881 1395 1 6 . 1 1 19 19 LEU C C 19 178.510 178.510 178.763 -0.253 19881 1396 1 6 . 1 1 19 19 LEU CA C 19 57.831 57.831 57.608 0.223 19881 1397 1 6 . 1 1 19 19 LEU CB C 19 42.406 42.406 41.603 0.802 19881 1398 1 6 . 1 1 19 19 LEU H H 19 8.420 8.420 8.224 0.196 19881 1399 1 6 . 1 1 20 20 PHE N N 20 116.154 116.154 118.152 -1.998 19881 1400 1 6 . 1 1 20 20 PHE HA H 20 4.508 4.508 4.264 0.244 19881 1401 1 6 . 1 1 20 20 PHE C C 20 178.062 178.062 177.034 1.028 19881 1402 1 6 . 1 1 20 20 PHE CA C 20 60.202 60.202 60.651 -0.449 19881 1403 1 6 . 1 1 20 20 PHE CB C 20 40.126 40.126 39.919 0.207 19881 1404 1 6 . 1 1 20 20 PHE H H 20 8.451 8.451 8.376 0.075 19881 1405 1 6 . 1 1 21 21 GLY N N 21 108.705 108.705 105.121 3.584 19881 1406 1 6 . 1 1 21 21 GLY C C 21 173.997 173.997 173.519 0.478 19881 1407 1 6 . 1 1 21 21 GLY CA C 21 46.189 46.189 45.125 1.064 19881 1408 1 6 . 1 1 21 21 GLY H H 21 8.754 8.754 8.138 0.616 19881 1409 1 6 . 1 1 22 22 THR N N 22 111.556 111.556 111.244 0.312 19881 1410 1 6 . 1 1 22 22 THR HA H 22 4.080 4.080 3.951 0.129 19881 1411 1 6 . 1 1 22 22 THR CA C 22 64.722 64.722 62.988 1.734 19881 1412 1 6 . 1 1 22 22 THR CB C 22 69.150 69.150 67.873 1.277 19881 1413 1 6 . 1 1 22 22 THR H H 22 8.190 8.190 7.789 0.401 19881 1414 1 6 . 1 1 23 23 LYS N N 23 121.733 121.733 121.599 0.134 19881 1415 1 6 . 1 1 23 23 LYS HA H 23 4.175 4.175 4.333 -0.158 19881 1416 1 6 . 1 1 23 23 LYS C C 23 178.622 178.622 176.743 1.879 19881 1417 1 6 . 1 1 23 23 LYS CA C 23 58.378 58.378 57.383 0.995 19881 1418 1 6 . 1 1 23 23 LYS CB C 23 31.639 31.639 34.016 -2.377 19881 1419 1 6 . 1 1 23 23 LYS H H 23 8.165 8.165 8.448 -0.283 19881 1420 1 6 . 1 1 24 24 LYS N N 24 118.854 118.854 121.222 -2.368 19881 1421 1 6 . 1 1 24 24 LYS HA H 24 4.246 4.246 4.305 -0.059 19881 1422 1 6 . 1 1 24 24 LYS C C 24 177.705 177.705 178.355 -0.650 19881 1423 1 6 . 1 1 24 24 LYS CA C 24 57.026 57.026 58.344 -1.318 19881 1424 1 6 . 1 1 24 24 LYS CB C 24 32.471 32.471 31.715 0.756 19881 1425 1 6 . 1 1 24 24 LYS H H 24 8.144 8.144 8.117 0.027 19881 1426 1 6 . 1 1 25 25 LEU N N 25 118.583 118.583 119.838 -1.255 19881 1427 1 6 . 1 1 25 25 LEU HA H 25 4.148 4.148 4.039 0.109 19881 1428 1 6 . 1 1 25 25 LEU C C 25 177.815 177.815 179.023 -1.208 19881 1429 1 6 . 1 1 25 25 LEU CA C 25 56.511 56.511 58.157 -1.646 19881 1430 1 6 . 1 1 25 25 LEU CB C 25 41.955 41.955 40.293 1.662 19881 1431 1 6 . 1 1 25 25 LEU H H 25 7.820 7.820 8.077 -0.257 19881 1432 1 6 . 1 1 26 26 GLY N N 26 106.160 106.160 103.100 3.060 19881 1433 1 6 . 1 1 26 26 GLY C C 26 175.013 175.013 175.550 -0.537 19881 1434 1 6 . 1 1 26 26 GLY CA C 26 46.414 46.414 46.656 -0.242 19881 1435 1 6 . 1 1 26 26 GLY H H 26 8.146 8.146 8.371 -0.225 19881 1436 1 6 . 1 1 27 27 SER N N 27 116.361 116.361 116.395 -0.034 19881 1437 1 6 . 1 1 27 27 SER HA H 27 4.441 4.441 4.536 -0.095 19881 1438 1 6 . 1 1 27 27 SER C C 27 175.407 175.407 176.312 -0.905 19881 1439 1 6 . 1 1 27 27 SER CA C 27 59.665 59.665 60.306 -0.641 19881 1440 1 6 . 1 1 27 27 SER CB C 27 63.672 63.672 64.653 -0.981 19881 1441 1 6 . 1 1 27 27 SER H H 27 8.046 8.046 7.974 0.072 19881 1442 1 6 . 1 1 28 28 ILE N N 28 121.108 121.108 118.367 2.741 19881 1443 1 6 . 1 1 28 28 ILE HA H 28 4.090 4.090 4.353 -0.263 19881 1444 1 6 . 1 1 28 28 ILE C C 28 176.733 176.733 177.261 -0.528 19881 1445 1 6 . 1 1 28 28 ILE CA C 28 62.883 62.883 63.896 -1.013 19881 1446 1 6 . 1 1 28 28 ILE CB C 28 38.348 38.348 37.631 0.717 19881 1447 1 6 . 1 1 28 28 ILE H H 28 7.847 7.847 8.938 -1.091 19881 1448 1 6 . 1 1 29 29 GLY N N 29 109.304 109.304 108.855 0.449 19881 1449 1 6 . 1 1 29 29 GLY C C 29 174.534 174.534 176.287 -1.753 19881 1450 1 6 . 1 1 29 29 GLY CA C 29 46.278 46.278 47.709 -1.431 19881 1451 1 6 . 1 1 29 29 GLY H H 29 8.329 8.329 8.308 0.021 19881 1452 1 6 . 1 1 30 30 SER N N 30 115.814 115.814 116.962 -1.148 19881 1453 1 6 . 1 1 30 30 SER HA H 30 4.301 4.301 4.182 0.119 19881 1454 1 6 . 1 1 30 30 SER C C 30 175.445 175.445 176.130 -0.685 19881 1455 1 6 . 1 1 30 30 SER CA C 30 60.378 60.378 61.991 -1.613 19881 1456 1 6 . 1 1 30 30 SER CB C 30 63.575 63.575 62.678 0.896 19881 1457 1 6 . 1 1 30 30 SER H H 30 8.026 8.026 8.073 -0.047 19881 1458 1 6 . 1 1 31 31 ASP N N 31 122.351 122.351 123.441 -1.090 19881 1459 1 6 . 1 1 31 31 ASP HA H 31 4.648 4.648 4.527 0.121 19881 1460 1 6 . 1 1 31 31 ASP C C 31 177.501 177.501 178.345 -0.844 19881 1461 1 6 . 1 1 31 31 ASP CA C 31 55.138 55.138 56.520 -1.382 19881 1462 1 6 . 1 1 31 31 ASP CB C 31 40.847 40.847 40.727 0.120 19881 1463 1 6 . 1 1 31 31 ASP H H 31 8.261 8.261 7.525 0.736 19881 1464 1 6 . 1 1 32 32 LEU N N 32 123.303 123.303 120.920 2.383 19881 1465 1 6 . 1 1 32 32 LEU HA H 32 4.146 4.146 4.072 0.074 19881 1466 1 6 . 1 1 32 32 LEU C C 32 178.653 178.653 179.349 -0.696 19881 1467 1 6 . 1 1 32 32 LEU CA C 32 57.539 57.539 57.865 -0.326 19881 1468 1 6 . 1 1 32 32 LEU CB C 32 42.175 42.175 41.592 0.583 19881 1469 1 6 . 1 1 32 32 LEU H H 32 8.400 8.400 7.843 0.557 19881 1470 1 6 . 1 1 33 33 GLY N N 33 107.221 107.221 106.606 0.615 19881 1471 1 6 . 1 1 33 33 GLY C C 33 175.646 175.646 175.556 0.090 19881 1472 1 6 . 1 1 33 33 GLY CA C 33 47.342 47.342 47.197 0.145 19881 1473 1 6 . 1 1 33 33 GLY H H 33 8.582 8.582 8.758 -0.176 19881 1474 1 6 . 1 1 34 34 ALA N N 34 123.643 123.643 123.989 -0.346 19881 1475 1 6 . 1 1 34 34 ALA HA H 34 4.165 4.165 4.206 -0.041 19881 1476 1 6 . 1 1 34 34 ALA C C 34 180.302 180.302 179.535 0.767 19881 1477 1 6 . 1 1 34 34 ALA CA C 34 54.422 54.422 54.774 -0.352 19881 1478 1 6 . 1 1 34 34 ALA CB C 34 18.645 18.645 18.421 0.224 19881 1479 1 6 . 1 1 34 34 ALA H H 34 8.012 8.012 7.981 0.031 19881 1480 1 6 . 1 1 35 35 SER N N 35 115.942 115.942 114.991 0.951 19881 1481 1 6 . 1 1 35 35 SER HA H 35 4.342 4.342 4.253 0.089 19881 1482 1 6 . 1 1 35 35 SER C C 35 176.430 176.430 176.813 -0.383 19881 1483 1 6 . 1 1 35 35 SER CA C 35 61.552 61.552 61.338 0.214 19881 1484 1 6 . 1 1 35 35 SER CB C 35 63.404 63.404 63.057 0.346 19881 1485 1 6 . 1 1 35 35 SER H H 35 8.021 8.021 8.514 -0.493 19881 1486 1 6 . 1 1 36 36 ILE N N 36 121.829 121.829 122.595 -0.766 19881 1487 1 6 . 1 1 36 36 ILE HA H 36 3.855 3.855 3.880 -0.025 19881 1488 1 6 . 1 1 36 36 ILE C C 36 177.310 177.310 177.385 -0.075 19881 1489 1 6 . 1 1 36 36 ILE CA C 36 64.467 64.467 63.336 1.131 19881 1490 1 6 . 1 1 36 36 ILE CB C 36 37.790 37.790 37.695 0.095 19881 1491 1 6 . 1 1 36 36 ILE H H 36 8.170 8.170 8.223 -0.053 19881 1492 1 6 . 1 1 37 37 LYS N N 37 120.804 120.804 121.001 -0.197 19881 1493 1 6 . 1 1 37 37 LYS HA H 37 3.998 3.998 3.985 0.013 19881 1494 1 6 . 1 1 37 37 LYS C C 37 178.932 178.932 179.361 -0.429 19881 1495 1 6 . 1 1 37 37 LYS CA C 37 59.665 59.665 60.344 -0.679 19881 1496 1 6 . 1 1 37 37 LYS CB C 37 32.400 32.400 32.153 0.247 19881 1497 1 6 . 1 1 37 37 LYS H H 37 8.039 8.039 8.038 0.001 19881 1498 1 6 . 1 1 38 38 GLY N N 38 107.479 107.479 106.592 0.887 19881 1499 1 6 . 1 1 38 38 GLY C C 38 176.690 176.690 176.192 0.498 19881 1500 1 6 . 1 1 38 38 GLY CA C 38 46.426 46.426 47.008 -0.582 19881 1501 1 6 . 1 1 38 38 GLY H H 38 8.145 8.145 8.363 -0.218 19881 1502 1 6 . 1 1 39 39 PHE N N 39 122.726 122.726 123.133 -0.407 19881 1503 1 6 . 1 1 39 39 PHE HA H 39 4.389 4.389 4.313 0.076 19881 1504 1 6 . 1 1 39 39 PHE C C 39 176.506 176.506 177.223 -0.717 19881 1505 1 6 . 1 1 39 39 PHE CA C 39 60.235 60.235 60.640 -0.405 19881 1506 1 6 . 1 1 39 39 PHE CB C 39 39.354 39.354 39.437 -0.083 19881 1507 1 6 . 1 1 39 39 PHE H H 39 8.078 8.078 8.031 0.047 19881 1508 1 6 . 1 1 40 40 LYS N N 40 119.668 119.668 119.159 0.509 19881 1509 1 6 . 1 1 40 40 LYS HA H 40 3.925 3.925 3.836 0.089 19881 1510 1 6 . 1 1 40 40 LYS C C 40 178.275 178.275 178.711 -0.436 19881 1511 1 6 . 1 1 40 40 LYS CA C 40 58.940 58.940 59.757 -0.817 19881 1512 1 6 . 1 1 40 40 LYS CB C 40 32.523 32.523 32.367 0.156 19881 1513 1 6 . 1 1 40 40 LYS H H 40 8.192 8.192 8.988 -0.796 19881 1514 1 6 . 1 1 41 41 LYS N N 41 120.878 120.878 119.490 1.388 19881 1515 1 6 . 1 1 41 41 LYS HA H 41 4.109 4.109 3.998 0.111 19881 1516 1 6 . 1 1 41 41 LYS C C 41 177.740 177.740 178.800 -1.060 19881 1517 1 6 . 1 1 41 41 LYS CA C 41 58.105 58.105 59.298 -1.193 19881 1518 1 6 . 1 1 41 41 LYS CB C 41 32.516 32.516 32.444 0.072 19881 1519 1 6 . 1 1 41 41 LYS H H 41 7.997 7.997 8.260 -0.263 19881 1520 1 6 . 1 1 42 42 ALA N N 42 122.719 122.719 121.084 1.635 19881 1521 1 6 . 1 1 42 42 ALA HA H 42 4.213 4.213 4.048 0.165 19881 1522 1 6 . 1 1 42 42 ALA C C 42 178.450 178.450 178.913 -0.463 19881 1523 1 6 . 1 1 42 42 ALA CA C 42 53.586 53.586 54.436 -0.850 19881 1524 1 6 . 1 1 42 42 ALA CB C 42 18.919 18.919 18.644 0.275 19881 1525 1 6 . 1 1 42 42 ALA H H 42 7.900 7.900 7.591 0.309 19881 1526 1 6 . 1 1 43 43 MET N N 43 115.999 115.999 116.715 -0.716 19881 1527 1 6 . 1 1 43 43 MET HA H 43 4.415 4.415 4.212 0.203 19881 1528 1 6 . 1 1 43 43 MET C C 43 176.270 176.270 177.514 -1.244 19881 1529 1 6 . 1 1 43 43 MET CA C 43 55.488 55.488 56.830 -1.342 19881 1530 1 6 . 1 1 43 43 MET CB C 43 33.279 33.279 33.410 -0.131 19881 1531 1 6 . 1 1 43 43 MET H H 43 7.757 7.757 7.580 0.177 19881 1532 1 6 . 1 1 44 44 SER N N 44 115.396 115.396 115.144 0.252 19881 1533 1 6 . 1 1 44 44 SER HA H 44 4.463 4.463 4.000 0.463 19881 1534 1 6 . 1 1 44 44 SER C C 44 173.950 173.950 174.425 -0.475 19881 1535 1 6 . 1 1 44 44 SER CA C 44 58.536 58.536 61.011 -2.475 19881 1536 1 6 . 1 1 44 44 SER CB C 44 64.380 64.380 61.562 2.818 19881 1537 1 6 . 1 1 44 44 SER H H 44 7.821 7.821 8.418 -0.597 19881 1538 1 6 . 1 1 45 45 ASP N N 45 123.208 123.208 122.916 0.292 19881 1539 1 6 . 1 1 45 45 ASP HA H 45 4.576 4.576 4.451 0.125 19881 1540 1 6 . 1 1 45 45 ASP C C 45 175.990 175.990 175.004 0.986 19881 1541 1 6 . 1 1 45 45 ASP CA C 45 54.264 54.264 55.829 -1.565 19881 1542 1 6 . 1 1 45 45 ASP CB C 45 41.410 41.410 39.523 1.887 19881 1543 1 6 . 1 1 45 45 ASP H H 45 8.293 8.293 8.392 -0.099 19881 1544 1 6 . 1 1 46 46 ASP N N 46 121.430 121.430 118.576 2.854 19881 1545 1 6 . 1 1 46 46 ASP HA H 46 4.542 4.542 4.616 -0.074 19881 1546 1 6 . 1 1 46 46 ASP C C 46 176.060 176.060 175.668 0.392 19881 1547 1 6 . 1 1 46 46 ASP CA C 46 54.250 54.250 53.771 0.479 19881 1548 1 6 . 1 1 46 46 ASP CB C 46 41.500 41.500 40.268 1.232 19881 1549 1 6 . 1 1 46 46 ASP H H 46 8.239 8.239 8.206 0.033 19881 1550 1 6 . 1 1 47 47 GLU N N 47 123.031 123.031 116.790 6.241 19881 1551 1 6 . 1 1 47 47 GLU HA H 47 4.528 4.528 4.112 0.416 19881 1552 1 6 . 1 1 47 47 GLU CA C 47 54.651 54.651 56.409 -1.758 19881 1553 1 6 . 1 1 47 47 GLU CB C 47 29.910 29.910 28.136 1.774 19881 1554 1 6 . 1 1 47 47 GLU H H 47 8.163 8.163 8.294 -0.131 19881 1555 1 7 . 1 1 2 2 GLY N N 2 109.485 109.485 107.581 1.904 19881 1556 1 7 . 1 1 2 2 GLY C C 2 174.370 174.370 174.761 -0.391 19881 1557 1 7 . 1 1 2 2 GLY CA C 2 46.411 46.411 45.177 1.234 19881 1558 1 7 . 1 1 2 2 GLY H H 2 8.713 8.713 8.043 0.670 19881 1559 1 7 . 1 1 3 3 GLY N N 3 108.308 108.308 109.144 -0.836 19881 1560 1 7 . 1 1 3 3 GLY C C 3 173.840 173.840 175.639 -1.799 19881 1561 1 7 . 1 1 3 3 GLY CA C 3 45.276 45.276 44.264 1.012 19881 1562 1 7 . 1 1 3 3 GLY H H 3 8.326 8.326 8.118 0.208 19881 1563 1 7 . 1 1 4 4 ILE N N 4 120.682 120.682 119.375 1.307 19881 1564 1 7 . 1 1 4 4 ILE HA H 4 4.330 4.330 3.800 0.530 19881 1565 1 7 . 1 1 4 4 ILE CA C 4 60.610 60.610 63.253 -2.643 19881 1566 1 7 . 1 1 4 4 ILE CB C 4 39.100 39.100 38.330 0.770 19881 1567 1 7 . 1 1 4 4 ILE H H 4 7.605 7.605 7.915 -0.310 19881 1568 1 7 . 1 1 5 5 SER N N 5 121.157 121.157 109.994 11.163 19881 1569 1 7 . 1 1 5 5 SER HA H 5 4.676 4.676 4.549 0.127 19881 1570 1 7 . 1 1 5 5 SER C C 5 175.720 175.720 174.516 1.204 19881 1571 1 7 . 1 1 5 5 SER CA C 5 57.000 57.000 57.589 -0.589 19881 1572 1 7 . 1 1 5 5 SER CB C 5 65.760 65.760 65.502 0.258 19881 1573 1 7 . 1 1 5 5 SER H H 5 8.167 8.167 7.764 0.403 19881 1574 1 7 . 1 1 6 6 ILE N N 6 123.227 123.227 122.200 1.027 19881 1575 1 7 . 1 1 6 6 ILE HA H 6 3.771 3.771 4.123 -0.352 19881 1576 1 7 . 1 1 6 6 ILE C C 6 176.660 176.660 177.165 -0.505 19881 1577 1 7 . 1 1 6 6 ILE CA C 6 63.890 63.890 63.024 0.866 19881 1578 1 7 . 1 1 6 6 ILE CB C 6 37.173 37.173 37.782 -0.609 19881 1579 1 7 . 1 1 6 6 ILE H H 6 9.080 9.080 8.490 0.590 19881 1580 1 7 . 1 1 7 7 TRP N N 7 119.286 119.286 121.080 -1.794 19881 1581 1 7 . 1 1 7 7 TRP HA H 7 4.365 4.365 4.421 -0.056 19881 1582 1 7 . 1 1 7 7 TRP C C 7 177.800 177.800 178.330 -0.530 19881 1583 1 7 . 1 1 7 7 TRP CA C 7 59.411 59.411 60.837 -1.426 19881 1584 1 7 . 1 1 7 7 TRP CB C 7 29.263 29.263 28.480 0.783 19881 1585 1 7 . 1 1 7 7 TRP H H 7 7.536 7.536 8.126 -0.590 19881 1586 1 7 . 1 1 8 8 GLN N N 8 117.821 117.821 117.357 0.464 19881 1587 1 7 . 1 1 8 8 GLN HA H 8 3.732 3.732 4.147 -0.415 19881 1588 1 7 . 1 1 8 8 GLN C C 8 177.765 177.765 178.215 -0.450 19881 1589 1 7 . 1 1 8 8 GLN CA C 8 59.367 59.367 59.177 0.190 19881 1590 1 7 . 1 1 8 8 GLN CB C 8 28.094 28.094 27.480 0.614 19881 1591 1 7 . 1 1 8 8 GLN H H 8 7.132 7.132 8.849 -1.717 19881 1592 1 7 . 1 1 9 9 LEU N N 9 118.175 118.175 120.219 -2.044 19881 1593 1 7 . 1 1 9 9 LEU HA H 9 3.916 3.916 4.248 -0.332 19881 1594 1 7 . 1 1 9 9 LEU C C 9 178.096 178.096 178.352 -0.256 19881 1595 1 7 . 1 1 9 9 LEU CA C 9 58.057 58.057 58.035 0.022 19881 1596 1 7 . 1 1 9 9 LEU CB C 9 41.803 41.803 41.276 0.527 19881 1597 1 7 . 1 1 9 9 LEU H H 9 7.680 7.680 7.452 0.228 19881 1598 1 7 . 1 1 10 10 LEU N N 10 118.370 118.370 121.108 -2.738 19881 1599 1 7 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.874 0.080 19881 1600 1 7 . 1 1 10 10 LEU C C 10 177.930 177.930 179.280 -1.350 19881 1601 1 7 . 1 1 10 10 LEU CA C 10 58.215 58.215 58.232 -0.017 19881 1602 1 7 . 1 1 10 10 LEU CB C 10 41.770 41.770 41.584 0.186 19881 1603 1 7 . 1 1 10 10 LEU H H 10 8.182 8.182 7.823 0.359 19881 1604 1 7 . 1 1 11 11 ILE N N 11 117.907 117.907 119.407 -1.500 19881 1605 1 7 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.752 -0.136 19881 1606 1 7 . 1 1 11 11 ILE C C 11 177.370 177.370 177.946 -0.576 19881 1607 1 7 . 1 1 11 11 ILE CA C 11 65.245 65.245 65.775 -0.529 19881 1608 1 7 . 1 1 11 11 ILE CB C 11 37.290 37.290 37.973 -0.683 19881 1609 1 7 . 1 1 11 11 ILE H H 11 7.676 7.676 7.919 -0.243 19881 1610 1 7 . 1 1 12 12 ILE N N 12 118.851 118.851 120.215 -1.364 19881 1611 1 7 . 1 1 12 12 ILE HA H 12 3.525 3.525 3.603 -0.078 19881 1612 1 7 . 1 1 12 12 ILE C C 12 176.908 176.908 177.793 -0.885 19881 1613 1 7 . 1 1 12 12 ILE CA C 12 65.463 65.463 65.706 -0.243 19881 1614 1 7 . 1 1 12 12 ILE CB C 12 37.450 37.450 37.651 -0.201 19881 1615 1 7 . 1 1 12 12 ILE H H 12 7.756 7.756 7.740 0.016 19881 1616 1 7 . 1 1 13 13 ALA N N 13 121.114 121.114 122.503 -1.389 19881 1617 1 7 . 1 1 13 13 ALA HA H 13 3.822 3.822 4.039 -0.217 19881 1618 1 7 . 1 1 13 13 ALA C C 13 178.605 178.605 179.618 -1.013 19881 1619 1 7 . 1 1 13 13 ALA CA C 13 55.753 55.753 55.351 0.402 19881 1620 1 7 . 1 1 13 13 ALA CB C 13 17.799 17.799 18.081 -0.282 19881 1621 1 7 . 1 1 13 13 ALA H H 13 8.367 8.367 8.728 -0.361 19881 1622 1 7 . 1 1 14 14 VAL N N 14 116.560 116.560 119.834 -3.274 19881 1623 1 7 . 1 1 14 14 VAL HA H 14 3.418 3.418 3.594 -0.176 19881 1624 1 7 . 1 1 14 14 VAL C C 14 177.236 177.236 177.771 -0.535 19881 1625 1 7 . 1 1 14 14 VAL CA C 14 67.304 67.304 66.933 0.371 19881 1626 1 7 . 1 1 14 14 VAL CB C 14 31.360 31.360 31.943 -0.583 19881 1627 1 7 . 1 1 14 14 VAL H H 14 8.164 8.164 7.915 0.249 19881 1628 1 7 . 1 1 15 15 ILE N N 15 119.573 119.573 117.687 1.886 19881 1629 1 7 . 1 1 15 15 ILE HA H 15 3.517 3.517 3.765 -0.248 19881 1630 1 7 . 1 1 15 15 ILE C C 15 177.490 177.490 177.772 -0.282 19881 1631 1 7 . 1 1 15 15 ILE CA C 15 65.828 65.828 65.178 0.650 19881 1632 1 7 . 1 1 15 15 ILE CB C 15 37.364 37.364 37.361 0.003 19881 1633 1 7 . 1 1 15 15 ILE H H 15 8.045 8.045 7.775 0.270 19881 1634 1 7 . 1 1 16 16 VAL N N 16 118.777 118.777 121.174 -2.397 19881 1635 1 7 . 1 1 16 16 VAL HA H 16 3.597 3.597 3.932 -0.335 19881 1636 1 7 . 1 1 16 16 VAL C C 16 177.993 177.993 178.358 -0.365 19881 1637 1 7 . 1 1 16 16 VAL CA C 16 67.680 67.680 67.152 0.528 19881 1638 1 7 . 1 1 16 16 VAL CB C 16 31.240 31.240 31.362 -0.122 19881 1639 1 7 . 1 1 16 16 VAL H H 16 8.481 8.481 8.169 0.312 19881 1640 1 7 . 1 1 17 17 VAL N N 17 120.072 120.072 119.834 0.238 19881 1641 1 7 . 1 1 17 17 VAL HA H 17 3.602 3.602 3.713 -0.111 19881 1642 1 7 . 1 1 17 17 VAL C C 17 178.199 178.199 178.332 -0.133 19881 1643 1 7 . 1 1 17 17 VAL CA C 17 67.426 67.426 66.608 0.819 19881 1644 1 7 . 1 1 17 17 VAL CB C 17 31.187 31.187 31.088 0.099 19881 1645 1 7 . 1 1 17 17 VAL H H 17 8.329 8.329 8.172 0.157 19881 1646 1 7 . 1 1 18 18 LEU N N 18 120.167 120.167 118.438 1.729 19881 1647 1 7 . 1 1 18 18 LEU HA H 18 4.012 4.012 4.157 -0.145 19881 1648 1 7 . 1 1 18 18 LEU C C 18 178.985 178.985 179.163 -0.178 19881 1649 1 7 . 1 1 18 18 LEU CA C 18 58.130 58.130 58.295 -0.165 19881 1650 1 7 . 1 1 18 18 LEU CB C 18 42.045 42.045 40.979 1.066 19881 1651 1 7 . 1 1 18 18 LEU H H 18 8.413 8.413 7.698 0.715 19881 1652 1 7 . 1 1 19 19 LEU N N 19 118.603 118.603 117.660 0.943 19881 1653 1 7 . 1 1 19 19 LEU HA H 19 3.984 3.984 4.116 -0.132 19881 1654 1 7 . 1 1 19 19 LEU C C 19 178.510 178.510 178.553 -0.043 19881 1655 1 7 . 1 1 19 19 LEU CA C 19 57.831 57.831 57.779 0.052 19881 1656 1 7 . 1 1 19 19 LEU CB C 19 42.406 42.406 41.641 0.765 19881 1657 1 7 . 1 1 19 19 LEU H H 19 8.420 8.420 8.202 0.218 19881 1658 1 7 . 1 1 20 20 PHE N N 20 116.154 116.154 118.510 -2.356 19881 1659 1 7 . 1 1 20 20 PHE HA H 20 4.508 4.508 4.361 0.147 19881 1660 1 7 . 1 1 20 20 PHE C C 20 178.062 178.062 177.045 1.017 19881 1661 1 7 . 1 1 20 20 PHE CA C 20 60.202 60.202 60.461 -0.258 19881 1662 1 7 . 1 1 20 20 PHE CB C 20 40.126 40.126 39.726 0.400 19881 1663 1 7 . 1 1 20 20 PHE H H 20 8.451 8.451 8.424 0.027 19881 1664 1 7 . 1 1 21 21 GLY N N 21 108.705 108.705 104.705 4.000 19881 1665 1 7 . 1 1 21 21 GLY C C 21 173.997 173.997 174.209 -0.212 19881 1666 1 7 . 1 1 21 21 GLY CA C 21 46.189 46.189 44.893 1.296 19881 1667 1 7 . 1 1 21 21 GLY H H 21 8.754 8.754 8.131 0.623 19881 1668 1 7 . 1 1 22 22 THR N N 22 111.556 111.556 111.363 0.193 19881 1669 1 7 . 1 1 22 22 THR HA H 22 4.080 4.080 3.981 0.099 19881 1670 1 7 . 1 1 22 22 THR CA C 22 64.722 64.722 63.479 1.243 19881 1671 1 7 . 1 1 22 22 THR CB C 22 69.150 69.150 67.838 1.312 19881 1672 1 7 . 1 1 22 22 THR H H 22 8.190 8.190 8.002 0.188 19881 1673 1 7 . 1 1 23 23 LYS N N 23 121.733 121.733 120.278 1.455 19881 1674 1 7 . 1 1 23 23 LYS HA H 23 4.175 4.175 4.477 -0.302 19881 1675 1 7 . 1 1 23 23 LYS C C 23 178.622 178.622 176.728 1.894 19881 1676 1 7 . 1 1 23 23 LYS CA C 23 58.378 58.378 56.875 1.503 19881 1677 1 7 . 1 1 23 23 LYS CB C 23 31.639 31.639 33.797 -2.158 19881 1678 1 7 . 1 1 23 23 LYS H H 23 8.165 8.165 8.435 -0.270 19881 1679 1 7 . 1 1 24 24 LYS N N 24 118.854 118.854 121.359 -2.505 19881 1680 1 7 . 1 1 24 24 LYS HA H 24 4.246 4.246 4.432 -0.186 19881 1681 1 7 . 1 1 24 24 LYS C C 24 177.705 177.705 178.160 -0.455 19881 1682 1 7 . 1 1 24 24 LYS CA C 24 57.026 57.026 58.658 -1.632 19881 1683 1 7 . 1 1 24 24 LYS CB C 24 32.471 32.471 32.454 0.017 19881 1684 1 7 . 1 1 24 24 LYS H H 24 8.144 8.144 8.187 -0.043 19881 1685 1 7 . 1 1 25 25 LEU N N 25 118.583 118.583 119.696 -1.113 19881 1686 1 7 . 1 1 25 25 LEU HA H 25 4.148 4.148 4.090 0.058 19881 1687 1 7 . 1 1 25 25 LEU C C 25 177.815 177.815 178.819 -1.004 19881 1688 1 7 . 1 1 25 25 LEU CA C 25 56.511 56.511 57.947 -1.436 19881 1689 1 7 . 1 1 25 25 LEU CB C 25 41.955 41.955 40.631 1.324 19881 1690 1 7 . 1 1 25 25 LEU H H 25 7.820 7.820 8.086 -0.266 19881 1691 1 7 . 1 1 26 26 GLY N N 26 106.160 106.160 103.406 2.754 19881 1692 1 7 . 1 1 26 26 GLY C C 26 175.013 175.013 175.388 -0.375 19881 1693 1 7 . 1 1 26 26 GLY CA C 26 46.414 46.414 46.393 0.021 19881 1694 1 7 . 1 1 26 26 GLY H H 26 8.146 8.146 8.317 -0.171 19881 1695 1 7 . 1 1 27 27 SER N N 27 116.361 116.361 116.176 0.185 19881 1696 1 7 . 1 1 27 27 SER HA H 27 4.441 4.441 4.458 -0.017 19881 1697 1 7 . 1 1 27 27 SER C C 27 175.407 175.407 176.023 -0.616 19881 1698 1 7 . 1 1 27 27 SER CA C 27 59.665 59.665 60.186 -0.521 19881 1699 1 7 . 1 1 27 27 SER CB C 27 63.672 63.672 63.855 -0.183 19881 1700 1 7 . 1 1 27 27 SER H H 27 8.046 8.046 7.690 0.356 19881 1701 1 7 . 1 1 28 28 ILE N N 28 121.108 121.108 115.203 5.905 19881 1702 1 7 . 1 1 28 28 ILE HA H 28 4.090 4.090 4.438 -0.348 19881 1703 1 7 . 1 1 28 28 ILE C C 28 176.733 176.733 177.244 -0.511 19881 1704 1 7 . 1 1 28 28 ILE CA C 28 62.883 62.883 63.213 -0.330 19881 1705 1 7 . 1 1 28 28 ILE CB C 28 38.348 38.348 38.354 -0.006 19881 1706 1 7 . 1 1 28 28 ILE H H 28 7.847 7.847 8.745 -0.898 19881 1707 1 7 . 1 1 29 29 GLY N N 29 109.304 109.304 108.801 0.503 19881 1708 1 7 . 1 1 29 29 GLY C C 29 174.534 174.534 175.953 -1.419 19881 1709 1 7 . 1 1 29 29 GLY CA C 29 46.278 46.278 47.691 -1.413 19881 1710 1 7 . 1 1 29 29 GLY H H 29 8.329 8.329 8.399 -0.070 19881 1711 1 7 . 1 1 30 30 SER N N 30 115.814 115.814 116.745 -0.931 19881 1712 1 7 . 1 1 30 30 SER HA H 30 4.301 4.301 4.134 0.167 19881 1713 1 7 . 1 1 30 30 SER C C 30 175.445 175.445 176.515 -1.070 19881 1714 1 7 . 1 1 30 30 SER CA C 30 60.378 60.378 61.891 -1.512 19881 1715 1 7 . 1 1 30 30 SER CB C 30 63.575 63.575 62.904 0.671 19881 1716 1 7 . 1 1 30 30 SER H H 30 8.026 8.026 8.039 -0.013 19881 1717 1 7 . 1 1 31 31 ASP N N 31 122.351 122.351 123.209 -0.858 19881 1718 1 7 . 1 1 31 31 ASP HA H 31 4.648 4.648 4.581 0.067 19881 1719 1 7 . 1 1 31 31 ASP C C 31 177.501 177.501 178.370 -0.869 19881 1720 1 7 . 1 1 31 31 ASP CA C 31 55.138 55.138 56.657 -1.519 19881 1721 1 7 . 1 1 31 31 ASP CB C 31 40.847 40.847 40.582 0.265 19881 1722 1 7 . 1 1 31 31 ASP H H 31 8.261 8.261 7.679 0.582 19881 1723 1 7 . 1 1 32 32 LEU N N 32 123.303 123.303 120.850 2.453 19881 1724 1 7 . 1 1 32 32 LEU HA H 32 4.146 4.146 4.126 0.020 19881 1725 1 7 . 1 1 32 32 LEU C C 32 178.653 178.653 179.156 -0.503 19881 1726 1 7 . 1 1 32 32 LEU CA C 32 57.539 57.539 57.854 -0.315 19881 1727 1 7 . 1 1 32 32 LEU CB C 32 42.175 42.175 41.534 0.641 19881 1728 1 7 . 1 1 32 32 LEU H H 32 8.400 8.400 8.078 0.322 19881 1729 1 7 . 1 1 33 33 GLY N N 33 107.221 107.221 106.670 0.551 19881 1730 1 7 . 1 1 33 33 GLY C C 33 175.646 175.646 175.507 0.139 19881 1731 1 7 . 1 1 33 33 GLY CA C 33 47.342 47.342 47.304 0.038 19881 1732 1 7 . 1 1 33 33 GLY H H 33 8.582 8.582 8.797 -0.215 19881 1733 1 7 . 1 1 34 34 ALA N N 34 123.643 123.643 123.764 -0.121 19881 1734 1 7 . 1 1 34 34 ALA HA H 34 4.165 4.165 4.212 -0.047 19881 1735 1 7 . 1 1 34 34 ALA C C 34 180.302 180.302 179.532 0.770 19881 1736 1 7 . 1 1 34 34 ALA CA C 34 54.422 54.422 54.778 -0.356 19881 1737 1 7 . 1 1 34 34 ALA CB C 34 18.645 18.645 18.392 0.253 19881 1738 1 7 . 1 1 34 34 ALA H H 34 8.012 8.012 7.829 0.183 19881 1739 1 7 . 1 1 35 35 SER N N 35 115.942 115.942 114.934 1.008 19881 1740 1 7 . 1 1 35 35 SER HA H 35 4.342 4.342 4.258 0.084 19881 1741 1 7 . 1 1 35 35 SER C C 35 176.430 176.430 176.796 -0.366 19881 1742 1 7 . 1 1 35 35 SER CA C 35 61.552 61.552 61.299 0.253 19881 1743 1 7 . 1 1 35 35 SER CB C 35 63.404 63.404 63.138 0.266 19881 1744 1 7 . 1 1 35 35 SER H H 35 8.021 8.021 8.084 -0.063 19881 1745 1 7 . 1 1 36 36 ILE N N 36 121.829 121.829 122.435 -0.606 19881 1746 1 7 . 1 1 36 36 ILE HA H 36 3.855 3.855 3.869 -0.014 19881 1747 1 7 . 1 1 36 36 ILE C C 36 177.310 177.310 177.165 0.145 19881 1748 1 7 . 1 1 36 36 ILE CA C 36 64.467 64.467 63.247 1.220 19881 1749 1 7 . 1 1 36 36 ILE CB C 36 37.790 37.790 37.730 0.060 19881 1750 1 7 . 1 1 36 36 ILE H H 36 8.170 8.170 8.439 -0.269 19881 1751 1 7 . 1 1 37 37 LYS N N 37 120.804 120.804 121.291 -0.487 19881 1752 1 7 . 1 1 37 37 LYS HA H 37 3.998 3.998 4.033 -0.035 19881 1753 1 7 . 1 1 37 37 LYS C C 37 178.932 178.932 179.241 -0.309 19881 1754 1 7 . 1 1 37 37 LYS CA C 37 59.665 59.665 60.118 -0.453 19881 1755 1 7 . 1 1 37 37 LYS CB C 37 32.400 32.400 31.741 0.659 19881 1756 1 7 . 1 1 37 37 LYS H H 37 8.039 8.039 8.115 -0.076 19881 1757 1 7 . 1 1 38 38 GLY N N 38 107.479 107.479 107.393 0.086 19881 1758 1 7 . 1 1 38 38 GLY C C 38 176.690 176.690 176.013 0.677 19881 1759 1 7 . 1 1 38 38 GLY CA C 38 46.426 46.426 46.769 -0.343 19881 1760 1 7 . 1 1 38 38 GLY H H 38 8.145 8.145 8.072 0.073 19881 1761 1 7 . 1 1 39 39 PHE N N 39 122.726 122.726 123.529 -0.803 19881 1762 1 7 . 1 1 39 39 PHE HA H 39 4.389 4.389 4.219 0.170 19881 1763 1 7 . 1 1 39 39 PHE C C 39 176.506 176.506 177.190 -0.684 19881 1764 1 7 . 1 1 39 39 PHE CA C 39 60.235 60.235 60.841 -0.606 19881 1765 1 7 . 1 1 39 39 PHE CB C 39 39.354 39.354 39.425 -0.071 19881 1766 1 7 . 1 1 39 39 PHE H H 39 8.078 8.078 8.107 -0.029 19881 1767 1 7 . 1 1 40 40 LYS N N 40 119.668 119.668 119.151 0.517 19881 1768 1 7 . 1 1 40 40 LYS HA H 40 3.925 3.925 3.840 0.085 19881 1769 1 7 . 1 1 40 40 LYS C C 40 178.275 178.275 178.649 -0.374 19881 1770 1 7 . 1 1 40 40 LYS CA C 40 58.940 58.940 59.687 -0.747 19881 1771 1 7 . 1 1 40 40 LYS CB C 40 32.523 32.523 32.369 0.154 19881 1772 1 7 . 1 1 40 40 LYS H H 40 8.192 8.192 8.988 -0.796 19881 1773 1 7 . 1 1 41 41 LYS N N 41 120.878 120.878 119.316 1.562 19881 1774 1 7 . 1 1 41 41 LYS HA H 41 4.109 4.109 3.988 0.121 19881 1775 1 7 . 1 1 41 41 LYS C C 41 177.740 177.740 178.588 -0.848 19881 1776 1 7 . 1 1 41 41 LYS CA C 41 58.105 58.105 59.385 -1.280 19881 1777 1 7 . 1 1 41 41 LYS CB C 41 32.516 32.516 32.403 0.113 19881 1778 1 7 . 1 1 41 41 LYS H H 41 7.997 7.997 8.140 -0.143 19881 1779 1 7 . 1 1 42 42 ALA N N 42 122.719 122.719 121.742 0.977 19881 1780 1 7 . 1 1 42 42 ALA HA H 42 4.213 4.213 4.081 0.132 19881 1781 1 7 . 1 1 42 42 ALA C C 42 178.450 178.450 179.449 -0.999 19881 1782 1 7 . 1 1 42 42 ALA CA C 42 53.586 53.586 54.698 -1.112 19881 1783 1 7 . 1 1 42 42 ALA CB C 42 18.919 18.919 18.509 0.410 19881 1784 1 7 . 1 1 42 42 ALA H H 42 7.900 7.900 7.591 0.309 19881 1785 1 7 . 1 1 43 43 MET N N 43 115.999 115.999 115.368 0.631 19881 1786 1 7 . 1 1 43 43 MET HA H 43 4.415 4.415 4.449 -0.034 19881 1787 1 7 . 1 1 43 43 MET C C 43 176.270 176.270 177.496 -1.226 19881 1788 1 7 . 1 1 43 43 MET CA C 43 55.488 55.488 54.684 0.804 19881 1789 1 7 . 1 1 43 43 MET CB C 43 33.279 33.279 32.465 0.814 19881 1790 1 7 . 1 1 43 43 MET H H 43 7.757 7.757 7.519 0.238 19881 1791 1 7 . 1 1 44 44 SER N N 44 115.396 115.396 114.828 0.568 19881 1792 1 7 . 1 1 44 44 SER HA H 44 4.463 4.463 4.183 0.280 19881 1793 1 7 . 1 1 44 44 SER C C 44 173.950 173.950 175.058 -1.108 19881 1794 1 7 . 1 1 44 44 SER CA C 44 58.536 58.536 60.709 -2.173 19881 1795 1 7 . 1 1 44 44 SER CB C 44 64.380 64.380 63.481 0.899 19881 1796 1 7 . 1 1 44 44 SER H H 44 7.821 7.821 7.992 -0.171 19881 1797 1 7 . 1 1 45 45 ASP N N 45 123.208 123.208 118.635 4.573 19881 1798 1 7 . 1 1 45 45 ASP HA H 45 4.576 4.576 4.608 -0.032 19881 1799 1 7 . 1 1 45 45 ASP C C 45 175.990 175.990 175.659 0.331 19881 1800 1 7 . 1 1 45 45 ASP CA C 45 54.264 54.264 54.530 -0.266 19881 1801 1 7 . 1 1 45 45 ASP CB C 45 41.410 41.410 41.836 -0.426 19881 1802 1 7 . 1 1 45 45 ASP H H 45 8.293 8.293 7.569 0.724 19881 1803 1 7 . 1 1 46 46 ASP N N 46 121.430 121.430 117.330 4.100 19881 1804 1 7 . 1 1 46 46 ASP HA H 46 4.542 4.542 4.255 0.287 19881 1805 1 7 . 1 1 46 46 ASP C C 46 176.060 176.060 175.440 0.620 19881 1806 1 7 . 1 1 46 46 ASP CA C 46 54.250 54.250 55.272 -1.022 19881 1807 1 7 . 1 1 46 46 ASP CB C 46 41.500 41.500 39.418 2.082 19881 1808 1 7 . 1 1 46 46 ASP H H 46 8.239 8.239 8.554 -0.315 19881 1809 1 7 . 1 1 47 47 GLU N N 47 123.031 123.031 119.361 3.670 19881 1810 1 7 . 1 1 47 47 GLU HA H 47 4.528 4.528 4.340 0.188 19881 1811 1 7 . 1 1 47 47 GLU CA C 47 54.651 54.651 55.916 -1.266 19881 1812 1 7 . 1 1 47 47 GLU CB C 47 29.910 29.910 30.089 -0.179 19881 1813 1 7 . 1 1 47 47 GLU H H 47 8.163 8.163 8.200 -0.037 19881 1814 1 8 . 1 1 2 2 GLY N N 2 109.485 109.485 109.529 -0.044 19881 1815 1 8 . 1 1 2 2 GLY C C 2 174.370 174.370 174.429 -0.059 19881 1816 1 8 . 1 1 2 2 GLY CA C 2 46.411 46.411 45.694 0.717 19881 1817 1 8 . 1 1 2 2 GLY H H 2 8.713 8.713 8.350 0.363 19881 1818 1 8 . 1 1 3 3 GLY N N 3 108.308 108.308 108.339 -0.031 19881 1819 1 8 . 1 1 3 3 GLY C C 3 173.840 173.840 174.119 -0.279 19881 1820 1 8 . 1 1 3 3 GLY CA C 3 45.276 45.276 44.788 0.488 19881 1821 1 8 . 1 1 3 3 GLY H H 3 8.326 8.326 8.029 0.297 19881 1822 1 8 . 1 1 4 4 ILE N N 4 120.682 120.682 121.715 -1.033 19881 1823 1 8 . 1 1 4 4 ILE HA H 4 4.330 4.330 3.954 0.376 19881 1824 1 8 . 1 1 4 4 ILE CA C 4 60.610 60.610 62.994 -2.384 19881 1825 1 8 . 1 1 4 4 ILE CB C 4 39.100 39.100 38.599 0.500 19881 1826 1 8 . 1 1 4 4 ILE H H 4 7.605 7.605 7.819 -0.214 19881 1827 1 8 . 1 1 5 5 SER N N 5 121.157 121.157 123.764 -2.607 19881 1828 1 8 . 1 1 5 5 SER HA H 5 4.676 4.676 4.643 0.033 19881 1829 1 8 . 1 1 5 5 SER C C 5 175.720 175.720 174.811 0.909 19881 1830 1 8 . 1 1 5 5 SER CA C 5 57.000 57.000 58.003 -1.003 19881 1831 1 8 . 1 1 5 5 SER CB C 5 65.760 65.760 64.196 1.564 19881 1832 1 8 . 1 1 5 5 SER H H 5 8.167 8.167 8.113 0.054 19881 1833 1 8 . 1 1 6 6 ILE N N 6 123.227 123.227 121.223 2.004 19881 1834 1 8 . 1 1 6 6 ILE HA H 6 3.771 3.771 4.329 -0.558 19881 1835 1 8 . 1 1 6 6 ILE C C 6 176.660 176.660 176.886 -0.226 19881 1836 1 8 . 1 1 6 6 ILE CA C 6 63.890 63.890 61.932 1.958 19881 1837 1 8 . 1 1 6 6 ILE CB C 6 37.173 37.173 38.550 -1.377 19881 1838 1 8 . 1 1 6 6 ILE H H 6 9.080 9.080 8.431 0.649 19881 1839 1 8 . 1 1 7 7 TRP N N 7 119.286 119.286 121.930 -2.644 19881 1840 1 8 . 1 1 7 7 TRP HA H 7 4.365 4.365 4.384 -0.019 19881 1841 1 8 . 1 1 7 7 TRP C C 7 177.800 177.800 178.348 -0.548 19881 1842 1 8 . 1 1 7 7 TRP CA C 7 59.411 59.411 61.363 -1.952 19881 1843 1 8 . 1 1 7 7 TRP CB C 7 29.263 29.263 28.617 0.646 19881 1844 1 8 . 1 1 7 7 TRP H H 7 7.536 7.536 8.242 -0.706 19881 1845 1 8 . 1 1 8 8 GLN N N 8 117.821 117.821 117.298 0.523 19881 1846 1 8 . 1 1 8 8 GLN HA H 8 3.732 3.732 4.181 -0.449 19881 1847 1 8 . 1 1 8 8 GLN C C 8 177.765 177.765 178.330 -0.565 19881 1848 1 8 . 1 1 8 8 GLN CA C 8 59.367 59.367 58.882 0.485 19881 1849 1 8 . 1 1 8 8 GLN CB C 8 28.094 28.094 27.668 0.426 19881 1850 1 8 . 1 1 8 8 GLN H H 8 7.132 7.132 8.941 -1.809 19881 1851 1 8 . 1 1 9 9 LEU N N 9 118.175 118.175 120.221 -2.046 19881 1852 1 8 . 1 1 9 9 LEU HA H 9 3.916 3.916 4.072 -0.156 19881 1853 1 8 . 1 1 9 9 LEU C C 9 178.096 178.096 179.299 -1.203 19881 1854 1 8 . 1 1 9 9 LEU CA C 9 58.057 58.057 57.531 0.526 19881 1855 1 8 . 1 1 9 9 LEU CB C 9 41.803 41.803 41.476 0.327 19881 1856 1 8 . 1 1 9 9 LEU H H 9 7.680 7.680 7.704 -0.024 19881 1857 1 8 . 1 1 10 10 LEU N N 10 118.370 118.370 120.603 -2.233 19881 1858 1 8 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.881 0.073 19881 1859 1 8 . 1 1 10 10 LEU C C 10 177.930 177.930 179.231 -1.301 19881 1860 1 8 . 1 1 10 10 LEU CA C 10 58.215 58.215 58.297 -0.082 19881 1861 1 8 . 1 1 10 10 LEU CB C 10 41.770 41.770 41.754 0.016 19881 1862 1 8 . 1 1 10 10 LEU H H 10 8.182 8.182 8.315 -0.133 19881 1863 1 8 . 1 1 11 11 ILE N N 11 117.907 117.907 119.629 -1.722 19881 1864 1 8 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.741 -0.125 19881 1865 1 8 . 1 1 11 11 ILE C C 11 177.370 177.370 177.993 -0.623 19881 1866 1 8 . 1 1 11 11 ILE CA C 11 65.245 65.245 65.678 -0.433 19881 1867 1 8 . 1 1 11 11 ILE CB C 11 37.290 37.290 37.947 -0.657 19881 1868 1 8 . 1 1 11 11 ILE H H 11 7.676 7.676 7.877 -0.201 19881 1869 1 8 . 1 1 12 12 ILE N N 12 118.851 118.851 120.373 -1.522 19881 1870 1 8 . 1 1 12 12 ILE HA H 12 3.525 3.525 3.596 -0.071 19881 1871 1 8 . 1 1 12 12 ILE C C 12 176.908 176.908 177.793 -0.885 19881 1872 1 8 . 1 1 12 12 ILE CA C 12 65.463 65.463 65.822 -0.359 19881 1873 1 8 . 1 1 12 12 ILE CB C 12 37.450 37.450 37.599 -0.149 19881 1874 1 8 . 1 1 12 12 ILE H H 12 7.756 7.756 8.285 -0.529 19881 1875 1 8 . 1 1 13 13 ALA N N 13 121.114 121.114 122.533 -1.419 19881 1876 1 8 . 1 1 13 13 ALA HA H 13 3.822 3.822 4.103 -0.281 19881 1877 1 8 . 1 1 13 13 ALA C C 13 178.605 178.605 179.839 -1.234 19881 1878 1 8 . 1 1 13 13 ALA CA C 13 55.753 55.753 55.463 0.290 19881 1879 1 8 . 1 1 13 13 ALA CB C 13 17.799 17.799 18.133 -0.334 19881 1880 1 8 . 1 1 13 13 ALA H H 13 8.367 8.367 8.838 -0.471 19881 1881 1 8 . 1 1 14 14 VAL N N 14 116.560 116.560 119.680 -3.120 19881 1882 1 8 . 1 1 14 14 VAL HA H 14 3.418 3.418 3.733 -0.315 19881 1883 1 8 . 1 1 14 14 VAL C C 14 177.236 177.236 178.226 -0.990 19881 1884 1 8 . 1 1 14 14 VAL CA C 14 67.304 67.304 66.670 0.634 19881 1885 1 8 . 1 1 14 14 VAL CB C 14 31.360 31.360 31.315 0.045 19881 1886 1 8 . 1 1 14 14 VAL H H 14 8.164 8.164 7.835 0.329 19881 1887 1 8 . 1 1 15 15 ILE N N 15 119.573 119.573 120.234 -0.661 19881 1888 1 8 . 1 1 15 15 ILE HA H 15 3.517 3.517 3.844 -0.327 19881 1889 1 8 . 1 1 15 15 ILE C C 15 177.490 177.490 178.622 -1.132 19881 1890 1 8 . 1 1 15 15 ILE CA C 15 65.828 65.828 63.706 2.122 19881 1891 1 8 . 1 1 15 15 ILE CB C 15 37.364 37.364 36.301 1.063 19881 1892 1 8 . 1 1 15 15 ILE H H 15 8.045 8.045 7.921 0.124 19881 1893 1 8 . 1 1 16 16 VAL N N 16 118.777 118.777 120.511 -1.734 19881 1894 1 8 . 1 1 16 16 VAL HA H 16 3.597 3.597 3.778 -0.181 19881 1895 1 8 . 1 1 16 16 VAL C C 16 177.993 177.993 178.459 -0.466 19881 1896 1 8 . 1 1 16 16 VAL CA C 16 67.680 67.680 66.570 1.110 19881 1897 1 8 . 1 1 16 16 VAL CB C 16 31.240 31.240 31.329 -0.089 19881 1898 1 8 . 1 1 16 16 VAL H H 16 8.481 8.481 8.413 0.068 19881 1899 1 8 . 1 1 17 17 VAL N N 17 120.072 120.072 120.212 -0.140 19881 1900 1 8 . 1 1 17 17 VAL HA H 17 3.602 3.602 3.776 -0.174 19881 1901 1 8 . 1 1 17 17 VAL C C 17 178.199 178.199 178.312 -0.113 19881 1902 1 8 . 1 1 17 17 VAL CA C 17 67.426 67.426 67.219 0.207 19881 1903 1 8 . 1 1 17 17 VAL CB C 17 31.187 31.187 31.593 -0.406 19881 1904 1 8 . 1 1 17 17 VAL H H 17 8.329 8.329 7.878 0.451 19881 1905 1 8 . 1 1 18 18 LEU N N 18 120.167 120.167 119.143 1.024 19881 1906 1 8 . 1 1 18 18 LEU HA H 18 4.012 4.012 3.969 0.043 19881 1907 1 8 . 1 1 18 18 LEU C C 18 178.985 178.985 179.210 -0.225 19881 1908 1 8 . 1 1 18 18 LEU CA C 18 58.130 58.130 57.755 0.375 19881 1909 1 8 . 1 1 18 18 LEU CB C 18 42.045 42.045 41.389 0.656 19881 1910 1 8 . 1 1 18 18 LEU H H 18 8.413 8.413 7.544 0.869 19881 1911 1 8 . 1 1 19 19 LEU N N 19 118.603 118.603 117.023 1.580 19881 1912 1 8 . 1 1 19 19 LEU HA H 19 3.984 3.984 4.058 -0.074 19881 1913 1 8 . 1 1 19 19 LEU C C 19 178.510 178.510 178.925 -0.415 19881 1914 1 8 . 1 1 19 19 LEU CA C 19 57.831 57.831 57.508 0.324 19881 1915 1 8 . 1 1 19 19 LEU CB C 19 42.406 42.406 41.333 1.073 19881 1916 1 8 . 1 1 19 19 LEU H H 19 8.420 8.420 7.674 0.746 19881 1917 1 8 . 1 1 20 20 PHE N N 20 116.154 116.154 118.887 -2.733 19881 1918 1 8 . 1 1 20 20 PHE HA H 20 4.508 4.508 4.297 0.211 19881 1919 1 8 . 1 1 20 20 PHE C C 20 178.062 178.062 177.287 0.775 19881 1920 1 8 . 1 1 20 20 PHE CA C 20 60.202 60.202 60.191 0.011 19881 1921 1 8 . 1 1 20 20 PHE CB C 20 40.126 40.126 39.658 0.468 19881 1922 1 8 . 1 1 20 20 PHE H H 20 8.451 8.451 8.331 0.120 19881 1923 1 8 . 1 1 21 21 GLY N N 21 108.705 108.705 105.530 3.175 19881 1924 1 8 . 1 1 21 21 GLY C C 21 173.997 173.997 174.627 -0.630 19881 1925 1 8 . 1 1 21 21 GLY CA C 21 46.189 46.189 45.294 0.895 19881 1926 1 8 . 1 1 21 21 GLY H H 21 8.754 8.754 7.992 0.762 19881 1927 1 8 . 1 1 22 22 THR N N 22 111.556 111.556 109.812 1.744 19881 1928 1 8 . 1 1 22 22 THR HA H 22 4.080 4.080 3.856 0.224 19881 1929 1 8 . 1 1 22 22 THR CA C 22 64.722 64.722 63.630 1.093 19881 1930 1 8 . 1 1 22 22 THR CB C 22 69.150 69.150 67.535 1.615 19881 1931 1 8 . 1 1 22 22 THR H H 22 8.190 8.190 8.049 0.141 19881 1932 1 8 . 1 1 23 23 LYS N N 23 121.733 121.733 118.494 3.239 19881 1933 1 8 . 1 1 23 23 LYS HA H 23 4.175 4.175 4.277 -0.102 19881 1934 1 8 . 1 1 23 23 LYS C C 23 178.622 178.622 177.149 1.473 19881 1935 1 8 . 1 1 23 23 LYS CA C 23 58.378 58.378 57.650 0.728 19881 1936 1 8 . 1 1 23 23 LYS CB C 23 31.639 31.639 32.981 -1.342 19881 1937 1 8 . 1 1 23 23 LYS H H 23 8.165 8.165 8.119 0.046 19881 1938 1 8 . 1 1 24 24 LYS N N 24 118.854 118.854 120.829 -1.975 19881 1939 1 8 . 1 1 24 24 LYS HA H 24 4.246 4.246 4.353 -0.107 19881 1940 1 8 . 1 1 24 24 LYS C C 24 177.705 177.705 178.162 -0.457 19881 1941 1 8 . 1 1 24 24 LYS CA C 24 57.026 57.026 57.728 -0.702 19881 1942 1 8 . 1 1 24 24 LYS CB C 24 32.471 32.471 31.907 0.564 19881 1943 1 8 . 1 1 24 24 LYS H H 24 8.144 8.144 7.642 0.502 19881 1944 1 8 . 1 1 25 25 LEU N N 25 118.583 118.583 119.595 -1.012 19881 1945 1 8 . 1 1 25 25 LEU HA H 25 4.148 4.148 3.904 0.244 19881 1946 1 8 . 1 1 25 25 LEU C C 25 177.815 177.815 178.721 -0.906 19881 1947 1 8 . 1 1 25 25 LEU CA C 25 56.511 56.511 58.500 -1.989 19881 1948 1 8 . 1 1 25 25 LEU CB C 25 41.955 41.955 40.859 1.096 19881 1949 1 8 . 1 1 25 25 LEU H H 25 7.820 7.820 8.171 -0.351 19881 1950 1 8 . 1 1 26 26 GLY N N 26 106.160 106.160 102.269 3.891 19881 1951 1 8 . 1 1 26 26 GLY C C 26 175.013 175.013 175.669 -0.656 19881 1952 1 8 . 1 1 26 26 GLY CA C 26 46.414 46.414 46.522 -0.108 19881 1953 1 8 . 1 1 26 26 GLY H H 26 8.146 8.146 8.297 -0.151 19881 1954 1 8 . 1 1 27 27 SER N N 27 116.361 116.361 116.519 -0.158 19881 1955 1 8 . 1 1 27 27 SER HA H 27 4.441 4.441 4.650 -0.209 19881 1956 1 8 . 1 1 27 27 SER C C 27 175.407 175.407 176.278 -0.871 19881 1957 1 8 . 1 1 27 27 SER CA C 27 59.665 59.665 60.610 -0.945 19881 1958 1 8 . 1 1 27 27 SER CB C 27 63.672 63.672 64.429 -0.757 19881 1959 1 8 . 1 1 27 27 SER H H 27 8.046 8.046 7.988 0.058 19881 1960 1 8 . 1 1 28 28 ILE N N 28 121.108 121.108 117.270 3.838 19881 1961 1 8 . 1 1 28 28 ILE HA H 28 4.090 4.090 4.375 -0.285 19881 1962 1 8 . 1 1 28 28 ILE C C 28 176.733 176.733 177.267 -0.534 19881 1963 1 8 . 1 1 28 28 ILE CA C 28 62.883 62.883 63.633 -0.750 19881 1964 1 8 . 1 1 28 28 ILE CB C 28 38.348 38.348 37.986 0.361 19881 1965 1 8 . 1 1 28 28 ILE H H 28 7.847 7.847 8.804 -0.957 19881 1966 1 8 . 1 1 29 29 GLY N N 29 109.304 109.304 108.869 0.435 19881 1967 1 8 . 1 1 29 29 GLY C C 29 174.534 174.534 176.211 -1.677 19881 1968 1 8 . 1 1 29 29 GLY CA C 29 46.278 46.278 47.754 -1.476 19881 1969 1 8 . 1 1 29 29 GLY H H 29 8.329 8.329 8.361 -0.032 19881 1970 1 8 . 1 1 30 30 SER N N 30 115.814 115.814 116.701 -0.887 19881 1971 1 8 . 1 1 30 30 SER HA H 30 4.301 4.301 4.061 0.240 19881 1972 1 8 . 1 1 30 30 SER C C 30 175.445 175.445 176.166 -0.721 19881 1973 1 8 . 1 1 30 30 SER CA C 30 60.378 60.378 61.546 -1.168 19881 1974 1 8 . 1 1 30 30 SER CB C 30 63.575 63.575 63.040 0.535 19881 1975 1 8 . 1 1 30 30 SER H H 30 8.026 8.026 8.086 -0.060 19881 1976 1 8 . 1 1 31 31 ASP N N 31 122.351 122.351 122.897 -0.546 19881 1977 1 8 . 1 1 31 31 ASP HA H 31 4.648 4.648 4.475 0.173 19881 1978 1 8 . 1 1 31 31 ASP C C 31 177.501 177.501 178.438 -0.937 19881 1979 1 8 . 1 1 31 31 ASP CA C 31 55.138 55.138 56.649 -1.511 19881 1980 1 8 . 1 1 31 31 ASP CB C 31 40.847 40.847 40.751 0.096 19881 1981 1 8 . 1 1 31 31 ASP H H 31 8.261 8.261 7.786 0.475 19881 1982 1 8 . 1 1 32 32 LEU N N 32 123.303 123.303 119.932 3.371 19881 1983 1 8 . 1 1 32 32 LEU HA H 32 4.146 4.146 4.118 0.028 19881 1984 1 8 . 1 1 32 32 LEU C C 32 178.653 178.653 179.279 -0.626 19881 1985 1 8 . 1 1 32 32 LEU CA C 32 57.539 57.539 58.179 -0.640 19881 1986 1 8 . 1 1 32 32 LEU CB C 32 42.175 42.175 41.113 1.062 19881 1987 1 8 . 1 1 32 32 LEU H H 32 8.400 8.400 8.618 -0.218 19881 1988 1 8 . 1 1 33 33 GLY N N 33 107.221 107.221 107.039 0.182 19881 1989 1 8 . 1 1 33 33 GLY C C 33 175.646 175.646 175.648 -0.002 19881 1990 1 8 . 1 1 33 33 GLY CA C 33 47.342 47.342 47.263 0.079 19881 1991 1 8 . 1 1 33 33 GLY H H 33 8.582 8.582 8.689 -0.107 19881 1992 1 8 . 1 1 34 34 ALA N N 34 123.643 123.643 123.872 -0.229 19881 1993 1 8 . 1 1 34 34 ALA HA H 34 4.165 4.165 4.183 -0.018 19881 1994 1 8 . 1 1 34 34 ALA C C 34 180.302 180.302 179.811 0.491 19881 1995 1 8 . 1 1 34 34 ALA CA C 34 54.422 54.422 54.752 -0.330 19881 1996 1 8 . 1 1 34 34 ALA CB C 34 18.645 18.645 18.469 0.176 19881 1997 1 8 . 1 1 34 34 ALA H H 34 8.012 8.012 7.996 0.016 19881 1998 1 8 . 1 1 35 35 SER N N 35 115.942 115.942 115.682 0.260 19881 1999 1 8 . 1 1 35 35 SER HA H 35 4.342 4.342 4.148 0.194 19881 2000 1 8 . 1 1 35 35 SER C C 35 176.430 176.430 176.716 -0.286 19881 2001 1 8 . 1 1 35 35 SER CA C 35 61.552 61.552 61.865 -0.313 19881 2002 1 8 . 1 1 35 35 SER CB C 35 63.404 63.404 63.300 0.104 19881 2003 1 8 . 1 1 35 35 SER H H 35 8.021 8.021 8.361 -0.340 19881 2004 1 8 . 1 1 36 36 ILE N N 36 121.829 121.829 122.095 -0.266 19881 2005 1 8 . 1 1 36 36 ILE HA H 36 3.855 3.855 3.869 -0.014 19881 2006 1 8 . 1 1 36 36 ILE C C 36 177.310 177.310 177.087 0.223 19881 2007 1 8 . 1 1 36 36 ILE CA C 36 64.467 64.467 63.468 0.999 19881 2008 1 8 . 1 1 36 36 ILE CB C 36 37.790 37.790 37.493 0.297 19881 2009 1 8 . 1 1 36 36 ILE H H 36 8.170 8.170 8.516 -0.346 19881 2010 1 8 . 1 1 37 37 LYS N N 37 120.804 120.804 121.281 -0.477 19881 2011 1 8 . 1 1 37 37 LYS HA H 37 3.998 3.998 4.029 -0.031 19881 2012 1 8 . 1 1 37 37 LYS C C 37 178.932 178.932 179.211 -0.279 19881 2013 1 8 . 1 1 37 37 LYS CA C 37 59.665 59.665 60.147 -0.482 19881 2014 1 8 . 1 1 37 37 LYS CB C 37 32.400 32.400 31.761 0.639 19881 2015 1 8 . 1 1 37 37 LYS H H 37 8.039 8.039 8.038 0.001 19881 2016 1 8 . 1 1 38 38 GLY N N 38 107.479 107.479 107.489 -0.010 19881 2017 1 8 . 1 1 38 38 GLY C C 38 176.690 176.690 176.121 0.569 19881 2018 1 8 . 1 1 38 38 GLY CA C 38 46.426 46.426 46.850 -0.424 19881 2019 1 8 . 1 1 38 38 GLY H H 38 8.145 8.145 8.098 0.047 19881 2020 1 8 . 1 1 39 39 PHE N N 39 122.726 122.726 123.056 -0.330 19881 2021 1 8 . 1 1 39 39 PHE HA H 39 4.389 4.389 4.316 0.073 19881 2022 1 8 . 1 1 39 39 PHE C C 39 176.506 176.506 177.250 -0.744 19881 2023 1 8 . 1 1 39 39 PHE CA C 39 60.235 60.235 60.563 -0.328 19881 2024 1 8 . 1 1 39 39 PHE CB C 39 39.354 39.354 39.468 -0.114 19881 2025 1 8 . 1 1 39 39 PHE H H 39 8.078 8.078 8.135 -0.057 19881 2026 1 8 . 1 1 40 40 LYS N N 40 119.668 119.668 119.481 0.187 19881 2027 1 8 . 1 1 40 40 LYS HA H 40 3.925 3.925 3.840 0.085 19881 2028 1 8 . 1 1 40 40 LYS C C 40 178.275 178.275 178.728 -0.453 19881 2029 1 8 . 1 1 40 40 LYS CA C 40 58.940 58.940 59.717 -0.777 19881 2030 1 8 . 1 1 40 40 LYS CB C 40 32.523 32.523 32.335 0.188 19881 2031 1 8 . 1 1 40 40 LYS H H 40 8.192 8.192 8.998 -0.806 19881 2032 1 8 . 1 1 41 41 LYS N N 41 120.878 120.878 119.702 1.176 19881 2033 1 8 . 1 1 41 41 LYS HA H 41 4.109 4.109 4.034 0.075 19881 2034 1 8 . 1 1 41 41 LYS C C 41 177.740 177.740 178.256 -0.516 19881 2035 1 8 . 1 1 41 41 LYS CA C 41 58.105 58.105 59.014 -0.909 19881 2036 1 8 . 1 1 41 41 LYS CB C 41 32.516 32.516 32.418 0.098 19881 2037 1 8 . 1 1 41 41 LYS H H 41 7.997 7.997 8.031 -0.034 19881 2038 1 8 . 1 1 42 42 ALA N N 42 122.719 122.719 120.338 2.381 19881 2039 1 8 . 1 1 42 42 ALA HA H 42 4.213 4.213 4.053 0.160 19881 2040 1 8 . 1 1 42 42 ALA C C 42 178.450 178.450 178.759 -0.309 19881 2041 1 8 . 1 1 42 42 ALA CA C 42 53.586 53.586 54.382 -0.796 19881 2042 1 8 . 1 1 42 42 ALA CB C 42 18.919 18.919 18.893 0.026 19881 2043 1 8 . 1 1 42 42 ALA H H 42 7.900 7.900 7.397 0.503 19881 2044 1 8 . 1 1 43 43 MET N N 43 115.999 115.999 114.810 1.189 19881 2045 1 8 . 1 1 43 43 MET HA H 43 4.415 4.415 4.273 0.142 19881 2046 1 8 . 1 1 43 43 MET C C 43 176.270 176.270 176.167 0.103 19881 2047 1 8 . 1 1 43 43 MET CA C 43 55.488 55.488 56.063 -0.575 19881 2048 1 8 . 1 1 43 43 MET CB C 43 33.279 33.279 33.476 -0.197 19881 2049 1 8 . 1 1 43 43 MET H H 43 7.757 7.757 7.391 0.366 19881 2050 1 8 . 1 1 44 44 SER N N 44 115.396 115.396 115.599 -0.203 19881 2051 1 8 . 1 1 44 44 SER HA H 44 4.463 4.463 4.253 0.210 19881 2052 1 8 . 1 1 44 44 SER C C 44 173.950 173.950 174.090 -0.140 19881 2053 1 8 . 1 1 44 44 SER CA C 44 58.536 58.536 60.166 -1.630 19881 2054 1 8 . 1 1 44 44 SER CB C 44 64.380 64.380 63.834 0.546 19881 2055 1 8 . 1 1 44 44 SER H H 44 7.821 7.821 7.830 -0.009 19881 2056 1 8 . 1 1 45 45 ASP N N 45 123.208 123.208 124.966 -1.758 19881 2057 1 8 . 1 1 45 45 ASP HA H 45 4.576 4.576 4.454 0.122 19881 2058 1 8 . 1 1 45 45 ASP C C 45 175.990 175.990 175.653 0.337 19881 2059 1 8 . 1 1 45 45 ASP CA C 45 54.264 54.264 55.142 -0.878 19881 2060 1 8 . 1 1 45 45 ASP CB C 45 41.410 41.410 40.187 1.223 19881 2061 1 8 . 1 1 45 45 ASP H H 45 8.293 8.293 8.614 -0.321 19881 2062 1 8 . 1 1 46 46 ASP N N 46 121.430 121.430 123.172 -1.742 19881 2063 1 8 . 1 1 46 46 ASP HA H 46 4.542 4.542 4.508 0.034 19881 2064 1 8 . 1 1 46 46 ASP C C 46 176.060 176.060 176.037 0.023 19881 2065 1 8 . 1 1 46 46 ASP CA C 46 54.250 54.250 53.628 0.622 19881 2066 1 8 . 1 1 46 46 ASP CB C 46 41.500 41.500 39.718 1.782 19881 2067 1 8 . 1 1 46 46 ASP H H 46 8.239 8.239 8.644 -0.405 19881 2068 1 8 . 1 1 47 47 GLU N N 47 123.031 123.031 118.697 4.334 19881 2069 1 8 . 1 1 47 47 GLU HA H 47 4.528 4.528 4.088 0.440 19881 2070 1 8 . 1 1 47 47 GLU CA C 47 54.651 54.651 56.337 -1.686 19881 2071 1 8 . 1 1 47 47 GLU CB C 47 29.910 29.910 28.589 1.321 19881 2072 1 8 . 1 1 47 47 GLU H H 47 8.163 8.163 7.757 0.406 19881 2073 1 9 . 1 1 2 2 GLY N N 2 109.485 109.485 109.077 0.408 19881 2074 1 9 . 1 1 2 2 GLY C C 2 174.370 174.370 174.589 -0.219 19881 2075 1 9 . 1 1 2 2 GLY CA C 2 46.411 46.411 45.434 0.977 19881 2076 1 9 . 1 1 2 2 GLY H H 2 8.713 8.713 8.370 0.343 19881 2077 1 9 . 1 1 3 3 GLY N N 3 108.308 108.308 108.471 -0.163 19881 2078 1 9 . 1 1 3 3 GLY C C 3 173.840 173.840 173.769 0.071 19881 2079 1 9 . 1 1 3 3 GLY CA C 3 45.276 45.276 44.770 0.506 19881 2080 1 9 . 1 1 3 3 GLY H H 3 8.326 8.326 7.948 0.378 19881 2081 1 9 . 1 1 4 4 ILE N N 4 120.682 120.682 121.151 -0.469 19881 2082 1 9 . 1 1 4 4 ILE HA H 4 4.330 4.330 3.829 0.501 19881 2083 1 9 . 1 1 4 4 ILE CA C 4 60.610 60.610 62.475 -1.865 19881 2084 1 9 . 1 1 4 4 ILE CB C 4 39.100 39.100 38.426 0.673 19881 2085 1 9 . 1 1 4 4 ILE H H 4 7.605 7.605 7.736 -0.131 19881 2086 1 9 . 1 1 5 5 SER N N 5 121.157 121.157 121.604 -0.447 19881 2087 1 9 . 1 1 5 5 SER HA H 5 4.676 4.676 4.680 -0.004 19881 2088 1 9 . 1 1 5 5 SER C C 5 175.720 175.720 175.427 0.293 19881 2089 1 9 . 1 1 5 5 SER CA C 5 57.000 57.000 57.464 -0.464 19881 2090 1 9 . 1 1 5 5 SER CB C 5 65.760 65.760 64.364 1.396 19881 2091 1 9 . 1 1 5 5 SER H H 5 8.167 8.167 8.101 0.066 19881 2092 1 9 . 1 1 6 6 ILE N N 6 123.227 123.227 123.288 -0.061 19881 2093 1 9 . 1 1 6 6 ILE HA H 6 3.771 3.771 3.889 -0.118 19881 2094 1 9 . 1 1 6 6 ILE C C 6 176.660 176.660 177.482 -0.822 19881 2095 1 9 . 1 1 6 6 ILE CA C 6 63.890 63.890 63.541 0.349 19881 2096 1 9 . 1 1 6 6 ILE CB C 6 37.173 37.173 37.666 -0.493 19881 2097 1 9 . 1 1 6 6 ILE H H 6 9.080 9.080 8.603 0.477 19881 2098 1 9 . 1 1 7 7 TRP N N 7 119.286 119.286 120.228 -0.942 19881 2099 1 9 . 1 1 7 7 TRP HA H 7 4.365 4.365 4.389 -0.024 19881 2100 1 9 . 1 1 7 7 TRP C C 7 177.800 177.800 178.328 -0.528 19881 2101 1 9 . 1 1 7 7 TRP CA C 7 59.411 59.411 61.553 -2.142 19881 2102 1 9 . 1 1 7 7 TRP CB C 7 29.263 29.263 28.835 0.428 19881 2103 1 9 . 1 1 7 7 TRP H H 7 7.536 7.536 8.042 -0.506 19881 2104 1 9 . 1 1 8 8 GLN N N 8 117.821 117.821 117.075 0.746 19881 2105 1 9 . 1 1 8 8 GLN HA H 8 3.732 3.732 4.095 -0.363 19881 2106 1 9 . 1 1 8 8 GLN C C 8 177.765 177.765 178.581 -0.816 19881 2107 1 9 . 1 1 8 8 GLN CA C 8 59.367 59.367 58.834 0.533 19881 2108 1 9 . 1 1 8 8 GLN CB C 8 28.094 28.094 27.789 0.305 19881 2109 1 9 . 1 1 8 8 GLN H H 8 7.132 7.132 8.369 -1.237 19881 2110 1 9 . 1 1 9 9 LEU N N 9 118.175 118.175 119.932 -1.757 19881 2111 1 9 . 1 1 9 9 LEU HA H 9 3.916 3.916 4.225 -0.309 19881 2112 1 9 . 1 1 9 9 LEU C C 9 178.096 178.096 178.525 -0.429 19881 2113 1 9 . 1 1 9 9 LEU CA C 9 58.057 58.057 58.070 -0.013 19881 2114 1 9 . 1 1 9 9 LEU CB C 9 41.803 41.803 41.264 0.539 19881 2115 1 9 . 1 1 9 9 LEU H H 9 7.680 7.680 8.166 -0.486 19881 2116 1 9 . 1 1 10 10 LEU N N 10 118.370 118.370 121.155 -2.785 19881 2117 1 9 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.873 0.081 19881 2118 1 9 . 1 1 10 10 LEU C C 10 177.930 177.930 179.306 -1.376 19881 2119 1 9 . 1 1 10 10 LEU CA C 10 58.215 58.215 58.270 -0.055 19881 2120 1 9 . 1 1 10 10 LEU CB C 10 41.770 41.770 41.560 0.210 19881 2121 1 9 . 1 1 10 10 LEU H H 10 8.182 8.182 8.025 0.157 19881 2122 1 9 . 1 1 11 11 ILE N N 11 117.907 117.907 119.495 -1.588 19881 2123 1 9 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.754 -0.138 19881 2124 1 9 . 1 1 11 11 ILE C C 11 177.370 177.370 177.960 -0.590 19881 2125 1 9 . 1 1 11 11 ILE CA C 11 65.245 65.245 65.749 -0.504 19881 2126 1 9 . 1 1 11 11 ILE CB C 11 37.290 37.290 37.962 -0.672 19881 2127 1 9 . 1 1 11 11 ILE H H 11 7.676 7.676 8.051 -0.375 19881 2128 1 9 . 1 1 12 12 ILE N N 12 118.851 118.851 120.368 -1.517 19881 2129 1 9 . 1 1 12 12 ILE HA H 12 3.525 3.525 3.602 -0.077 19881 2130 1 9 . 1 1 12 12 ILE C C 12 176.908 176.908 177.743 -0.835 19881 2131 1 9 . 1 1 12 12 ILE CA C 12 65.463 65.463 65.769 -0.307 19881 2132 1 9 . 1 1 12 12 ILE CB C 12 37.450 37.450 37.655 -0.205 19881 2133 1 9 . 1 1 12 12 ILE H H 12 7.756 7.756 7.784 -0.028 19881 2134 1 9 . 1 1 13 13 ALA N N 13 121.114 121.114 122.556 -1.442 19881 2135 1 9 . 1 1 13 13 ALA HA H 13 3.822 3.822 4.104 -0.282 19881 2136 1 9 . 1 1 13 13 ALA C C 13 178.605 178.605 179.917 -1.312 19881 2137 1 9 . 1 1 13 13 ALA CA C 13 55.753 55.753 55.457 0.296 19881 2138 1 9 . 1 1 13 13 ALA CB C 13 17.799 17.799 18.177 -0.378 19881 2139 1 9 . 1 1 13 13 ALA H H 13 8.367 8.367 8.847 -0.480 19881 2140 1 9 . 1 1 14 14 VAL N N 14 116.560 116.560 119.396 -2.836 19881 2141 1 9 . 1 1 14 14 VAL HA H 14 3.418 3.418 3.692 -0.274 19881 2142 1 9 . 1 1 14 14 VAL C C 14 177.236 177.236 178.151 -0.915 19881 2143 1 9 . 1 1 14 14 VAL CA C 14 67.304 67.304 66.926 0.378 19881 2144 1 9 . 1 1 14 14 VAL CB C 14 31.360 31.360 31.415 -0.055 19881 2145 1 9 . 1 1 14 14 VAL H H 14 8.164 8.164 8.062 0.102 19881 2146 1 9 . 1 1 15 15 ILE N N 15 119.573 119.573 120.214 -0.641 19881 2147 1 9 . 1 1 15 15 ILE HA H 15 3.517 3.517 3.694 -0.177 19881 2148 1 9 . 1 1 15 15 ILE C C 15 177.490 177.490 178.296 -0.806 19881 2149 1 9 . 1 1 15 15 ILE CA C 15 65.828 65.828 65.802 0.027 19881 2150 1 9 . 1 1 15 15 ILE CB C 15 37.364 37.364 37.843 -0.479 19881 2151 1 9 . 1 1 15 15 ILE H H 15 8.045 8.045 7.974 0.071 19881 2152 1 9 . 1 1 16 16 VAL N N 16 118.777 118.777 119.966 -1.189 19881 2153 1 9 . 1 1 16 16 VAL HA H 16 3.597 3.597 3.744 -0.147 19881 2154 1 9 . 1 1 16 16 VAL C C 16 177.993 177.993 177.628 0.365 19881 2155 1 9 . 1 1 16 16 VAL CA C 16 67.680 67.680 67.052 0.628 19881 2156 1 9 . 1 1 16 16 VAL CB C 16 31.240 31.240 32.050 -0.810 19881 2157 1 9 . 1 1 16 16 VAL H H 16 8.481 8.481 8.265 0.216 19881 2158 1 9 . 1 1 17 17 VAL N N 17 120.072 120.072 120.102 -0.030 19881 2159 1 9 . 1 1 17 17 VAL HA H 17 3.602 3.602 3.743 -0.141 19881 2160 1 9 . 1 1 17 17 VAL C C 17 178.199 178.199 177.904 0.295 19881 2161 1 9 . 1 1 17 17 VAL CA C 17 67.426 67.426 67.315 0.111 19881 2162 1 9 . 1 1 17 17 VAL CB C 17 31.187 31.187 31.787 -0.600 19881 2163 1 9 . 1 1 17 17 VAL H H 17 8.329 8.329 7.792 0.537 19881 2164 1 9 . 1 1 18 18 LEU N N 18 120.167 120.167 119.280 0.887 19881 2165 1 9 . 1 1 18 18 LEU HA H 18 4.012 4.012 3.966 0.046 19881 2166 1 9 . 1 1 18 18 LEU C C 18 178.985 178.985 179.207 -0.222 19881 2167 1 9 . 1 1 18 18 LEU CA C 18 58.130 58.130 57.806 0.324 19881 2168 1 9 . 1 1 18 18 LEU CB C 18 42.045 42.045 41.553 0.491 19881 2169 1 9 . 1 1 18 18 LEU H H 18 8.413 8.413 7.679 0.734 19881 2170 1 9 . 1 1 19 19 LEU N N 19 118.603 118.603 117.125 1.478 19881 2171 1 9 . 1 1 19 19 LEU HA H 19 3.984 3.984 4.059 -0.075 19881 2172 1 9 . 1 1 19 19 LEU C C 19 178.510 178.510 178.901 -0.391 19881 2173 1 9 . 1 1 19 19 LEU CA C 19 57.831 57.831 57.519 0.312 19881 2174 1 9 . 1 1 19 19 LEU CB C 19 42.406 42.406 41.347 1.059 19881 2175 1 9 . 1 1 19 19 LEU H H 19 8.420 8.420 7.707 0.713 19881 2176 1 9 . 1 1 20 20 PHE N N 20 116.154 116.154 118.797 -2.643 19881 2177 1 9 . 1 1 20 20 PHE HA H 20 4.508 4.508 4.295 0.213 19881 2178 1 9 . 1 1 20 20 PHE C C 20 178.062 178.062 177.352 0.710 19881 2179 1 9 . 1 1 20 20 PHE CA C 20 60.202 60.202 60.283 -0.081 19881 2180 1 9 . 1 1 20 20 PHE CB C 20 40.126 40.126 39.674 0.452 19881 2181 1 9 . 1 1 20 20 PHE H H 20 8.451 8.451 8.313 0.138 19881 2182 1 9 . 1 1 21 21 GLY N N 21 108.705 108.705 105.407 3.298 19881 2183 1 9 . 1 1 21 21 GLY C C 21 173.997 173.997 174.895 -0.898 19881 2184 1 9 . 1 1 21 21 GLY CA C 21 46.189 46.189 45.718 0.471 19881 2185 1 9 . 1 1 21 21 GLY H H 21 8.754 8.754 7.990 0.764 19881 2186 1 9 . 1 1 22 22 THR N N 22 111.556 111.556 110.804 0.752 19881 2187 1 9 . 1 1 22 22 THR HA H 22 4.080 4.080 3.838 0.242 19881 2188 1 9 . 1 1 22 22 THR CA C 22 64.722 64.722 64.302 0.420 19881 2189 1 9 . 1 1 22 22 THR CB C 22 69.150 69.150 67.031 2.119 19881 2190 1 9 . 1 1 22 22 THR H H 22 8.190 8.190 8.090 0.100 19881 2191 1 9 . 1 1 23 23 LYS N N 23 121.733 121.733 120.289 1.444 19881 2192 1 9 . 1 1 23 23 LYS HA H 23 4.175 4.175 4.007 0.168 19881 2193 1 9 . 1 1 23 23 LYS C C 23 178.622 178.622 177.926 0.696 19881 2194 1 9 . 1 1 23 23 LYS CA C 23 58.378 58.378 59.301 -0.923 19881 2195 1 9 . 1 1 23 23 LYS CB C 23 31.639 31.639 32.466 -0.827 19881 2196 1 9 . 1 1 23 23 LYS H H 23 8.165 8.165 7.912 0.253 19881 2197 1 9 . 1 1 24 24 LYS N N 24 118.854 118.854 118.477 0.377 19881 2198 1 9 . 1 1 24 24 LYS HA H 24 4.246 4.246 4.237 0.009 19881 2199 1 9 . 1 1 24 24 LYS C C 24 177.705 177.705 177.979 -0.274 19881 2200 1 9 . 1 1 24 24 LYS CA C 24 57.026 57.026 58.179 -1.153 19881 2201 1 9 . 1 1 24 24 LYS CB C 24 32.471 32.471 31.747 0.724 19881 2202 1 9 . 1 1 24 24 LYS H H 24 8.144 8.144 8.264 -0.120 19881 2203 1 9 . 1 1 25 25 LEU N N 25 118.583 118.583 120.686 -2.103 19881 2204 1 9 . 1 1 25 25 LEU HA H 25 4.148 4.148 3.967 0.181 19881 2205 1 9 . 1 1 25 25 LEU C C 25 177.815 177.815 179.201 -1.386 19881 2206 1 9 . 1 1 25 25 LEU CA C 25 56.511 56.511 58.497 -1.986 19881 2207 1 9 . 1 1 25 25 LEU CB C 25 41.955 41.955 41.373 0.582 19881 2208 1 9 . 1 1 25 25 LEU H H 25 7.820 7.820 7.817 0.003 19881 2209 1 9 . 1 1 26 26 GLY N N 26 106.160 106.160 104.302 1.858 19881 2210 1 9 . 1 1 26 26 GLY C C 26 175.013 175.013 176.150 -1.137 19881 2211 1 9 . 1 1 26 26 GLY CA C 26 46.414 46.414 46.887 -0.473 19881 2212 1 9 . 1 1 26 26 GLY H H 26 8.146 8.146 7.735 0.411 19881 2213 1 9 . 1 1 27 27 SER N N 27 116.361 116.361 116.917 -0.556 19881 2214 1 9 . 1 1 27 27 SER HA H 27 4.441 4.441 4.390 0.051 19881 2215 1 9 . 1 1 27 27 SER C C 27 175.407 175.407 176.288 -0.881 19881 2216 1 9 . 1 1 27 27 SER CA C 27 59.665 59.665 60.964 -1.299 19881 2217 1 9 . 1 1 27 27 SER CB C 27 63.672 63.672 63.222 0.450 19881 2218 1 9 . 1 1 27 27 SER H H 27 8.046 8.046 7.448 0.598 19881 2219 1 9 . 1 1 28 28 ILE N N 28 121.108 121.108 114.645 6.463 19881 2220 1 9 . 1 1 28 28 ILE HA H 28 4.090 4.090 4.392 -0.302 19881 2221 1 9 . 1 1 28 28 ILE C C 28 176.733 176.733 177.406 -0.673 19881 2222 1 9 . 1 1 28 28 ILE CA C 28 62.883 62.883 62.895 -0.012 19881 2223 1 9 . 1 1 28 28 ILE CB C 28 38.348 38.348 38.124 0.224 19881 2224 1 9 . 1 1 28 28 ILE H H 28 7.847 7.847 8.482 -0.635 19881 2225 1 9 . 1 1 29 29 GLY N N 29 109.304 109.304 108.680 0.624 19881 2226 1 9 . 1 1 29 29 GLY C C 29 174.534 174.534 176.469 -1.935 19881 2227 1 9 . 1 1 29 29 GLY CA C 29 46.278 46.278 47.414 -1.136 19881 2228 1 9 . 1 1 29 29 GLY H H 29 8.329 8.329 8.847 -0.518 19881 2229 1 9 . 1 1 30 30 SER N N 30 115.814 115.814 116.446 -0.632 19881 2230 1 9 . 1 1 30 30 SER HA H 30 4.301 4.301 4.267 0.034 19881 2231 1 9 . 1 1 30 30 SER C C 30 175.445 175.445 176.426 -0.981 19881 2232 1 9 . 1 1 30 30 SER CA C 30 60.378 60.378 61.886 -1.508 19881 2233 1 9 . 1 1 30 30 SER CB C 30 63.575 63.575 62.961 0.614 19881 2234 1 9 . 1 1 30 30 SER H H 30 8.026 8.026 7.784 0.242 19881 2235 1 9 . 1 1 31 31 ASP N N 31 122.351 122.351 122.342 0.009 19881 2236 1 9 . 1 1 31 31 ASP HA H 31 4.648 4.648 4.602 0.046 19881 2237 1 9 . 1 1 31 31 ASP C C 31 177.501 177.501 178.643 -1.142 19881 2238 1 9 . 1 1 31 31 ASP CA C 31 55.138 55.138 56.541 -1.403 19881 2239 1 9 . 1 1 31 31 ASP CB C 31 40.847 40.847 40.967 -0.120 19881 2240 1 9 . 1 1 31 31 ASP H H 31 8.261 8.261 7.720 0.541 19881 2241 1 9 . 1 1 32 32 LEU N N 32 123.303 123.303 120.930 2.373 19881 2242 1 9 . 1 1 32 32 LEU HA H 32 4.146 4.146 4.169 -0.023 19881 2243 1 9 . 1 1 32 32 LEU C C 32 178.653 178.653 179.047 -0.394 19881 2244 1 9 . 1 1 32 32 LEU CA C 32 57.539 57.539 57.863 -0.324 19881 2245 1 9 . 1 1 32 32 LEU CB C 32 42.175 42.175 41.566 0.609 19881 2246 1 9 . 1 1 32 32 LEU H H 32 8.400 8.400 8.628 -0.228 19881 2247 1 9 . 1 1 33 33 GLY N N 33 107.221 107.221 106.420 0.801 19881 2248 1 9 . 1 1 33 33 GLY C C 33 175.646 175.646 175.364 0.282 19881 2249 1 9 . 1 1 33 33 GLY CA C 33 47.342 47.342 47.369 -0.027 19881 2250 1 9 . 1 1 33 33 GLY H H 33 8.582 8.582 8.722 -0.140 19881 2251 1 9 . 1 1 34 34 ALA N N 34 123.643 123.643 123.338 0.305 19881 2252 1 9 . 1 1 34 34 ALA HA H 34 4.165 4.165 4.172 -0.007 19881 2253 1 9 . 1 1 34 34 ALA C C 34 180.302 180.302 179.486 0.816 19881 2254 1 9 . 1 1 34 34 ALA CA C 34 54.422 54.422 54.801 -0.379 19881 2255 1 9 . 1 1 34 34 ALA CB C 34 18.645 18.645 18.241 0.404 19881 2256 1 9 . 1 1 34 34 ALA H H 34 8.012 8.012 7.554 0.458 19881 2257 1 9 . 1 1 35 35 SER N N 35 115.942 115.942 115.202 0.740 19881 2258 1 9 . 1 1 35 35 SER HA H 35 4.342 4.342 4.249 0.093 19881 2259 1 9 . 1 1 35 35 SER C C 35 176.430 176.430 176.906 -0.476 19881 2260 1 9 . 1 1 35 35 SER CA C 35 61.552 61.552 61.785 -0.233 19881 2261 1 9 . 1 1 35 35 SER CB C 35 63.404 63.404 63.245 0.159 19881 2262 1 9 . 1 1 35 35 SER H H 35 8.021 8.021 7.901 0.120 19881 2263 1 9 . 1 1 36 36 ILE N N 36 121.829 121.829 122.247 -0.418 19881 2264 1 9 . 1 1 36 36 ILE HA H 36 3.855 3.855 3.840 0.015 19881 2265 1 9 . 1 1 36 36 ILE C C 36 177.310 177.310 177.251 0.059 19881 2266 1 9 . 1 1 36 36 ILE CA C 36 64.467 64.467 63.268 1.199 19881 2267 1 9 . 1 1 36 36 ILE CB C 36 37.790 37.790 37.476 0.314 19881 2268 1 9 . 1 1 36 36 ILE H H 36 8.170 8.170 8.501 -0.331 19881 2269 1 9 . 1 1 37 37 LYS N N 37 120.804 120.804 121.239 -0.435 19881 2270 1 9 . 1 1 37 37 LYS HA H 37 3.998 3.998 4.034 -0.036 19881 2271 1 9 . 1 1 37 37 LYS C C 37 178.932 178.932 179.232 -0.300 19881 2272 1 9 . 1 1 37 37 LYS CA C 37 59.665 59.665 60.123 -0.458 19881 2273 1 9 . 1 1 37 37 LYS CB C 37 32.400 32.400 31.770 0.630 19881 2274 1 9 . 1 1 37 37 LYS H H 37 8.039 8.039 8.050 -0.011 19881 2275 1 9 . 1 1 38 38 GLY N N 38 107.479 107.479 107.297 0.182 19881 2276 1 9 . 1 1 38 38 GLY C C 38 176.690 176.690 175.988 0.702 19881 2277 1 9 . 1 1 38 38 GLY CA C 38 46.426 46.426 46.767 -0.341 19881 2278 1 9 . 1 1 38 38 GLY H H 38 8.145 8.145 8.060 0.085 19881 2279 1 9 . 1 1 39 39 PHE N N 39 122.726 122.726 123.645 -0.919 19881 2280 1 9 . 1 1 39 39 PHE HA H 39 4.389 4.389 4.202 0.187 19881 2281 1 9 . 1 1 39 39 PHE C C 39 176.506 176.506 176.870 -0.364 19881 2282 1 9 . 1 1 39 39 PHE CA C 39 60.235 60.235 61.068 -0.833 19881 2283 1 9 . 1 1 39 39 PHE CB C 39 39.354 39.354 39.598 -0.244 19881 2284 1 9 . 1 1 39 39 PHE H H 39 8.078 8.078 8.079 -0.001 19881 2285 1 9 . 1 1 40 40 LYS N N 40 119.668 119.668 119.442 0.226 19881 2286 1 9 . 1 1 40 40 LYS HA H 40 3.925 3.925 3.958 -0.033 19881 2287 1 9 . 1 1 40 40 LYS C C 40 178.275 178.275 178.677 -0.402 19881 2288 1 9 . 1 1 40 40 LYS CA C 40 58.940 58.940 59.569 -0.629 19881 2289 1 9 . 1 1 40 40 LYS CB C 40 32.523 32.523 32.134 0.389 19881 2290 1 9 . 1 1 40 40 LYS H H 40 8.192 8.192 9.104 -0.912 19881 2291 1 9 . 1 1 41 41 LYS N N 41 120.878 120.878 119.495 1.383 19881 2292 1 9 . 1 1 41 41 LYS HA H 41 4.109 4.109 3.996 0.113 19881 2293 1 9 . 1 1 41 41 LYS C C 41 177.740 177.740 177.376 0.364 19881 2294 1 9 . 1 1 41 41 LYS CA C 41 58.105 58.105 58.745 -0.640 19881 2295 1 9 . 1 1 41 41 LYS CB C 41 32.516 32.516 32.251 0.265 19881 2296 1 9 . 1 1 41 41 LYS H H 41 7.997 7.997 7.930 0.067 19881 2297 1 9 . 1 1 42 42 ALA N N 42 122.719 122.719 120.372 2.347 19881 2298 1 9 . 1 1 42 42 ALA HA H 42 4.213 4.213 4.091 0.122 19881 2299 1 9 . 1 1 42 42 ALA C C 42 178.450 178.450 178.885 -0.435 19881 2300 1 9 . 1 1 42 42 ALA CA C 42 53.586 53.586 54.032 -0.446 19881 2301 1 9 . 1 1 42 42 ALA CB C 42 18.919 18.919 18.823 0.096 19881 2302 1 9 . 1 1 42 42 ALA H H 42 7.900 7.900 7.369 0.531 19881 2303 1 9 . 1 1 43 43 MET N N 43 115.999 115.999 116.578 -0.579 19881 2304 1 9 . 1 1 43 43 MET HA H 43 4.415 4.415 4.325 0.090 19881 2305 1 9 . 1 1 43 43 MET C C 43 176.270 176.270 176.660 -0.390 19881 2306 1 9 . 1 1 43 43 MET CA C 43 55.488 55.488 55.200 0.288 19881 2307 1 9 . 1 1 43 43 MET CB C 43 33.279 33.279 33.204 0.075 19881 2308 1 9 . 1 1 43 43 MET H H 43 7.757 7.757 7.321 0.436 19881 2309 1 9 . 1 1 44 44 SER N N 44 115.396 115.396 116.113 -0.717 19881 2310 1 9 . 1 1 44 44 SER HA H 44 4.463 4.463 4.388 0.075 19881 2311 1 9 . 1 1 44 44 SER C C 44 173.950 173.950 174.016 -0.066 19881 2312 1 9 . 1 1 44 44 SER CA C 44 58.536 58.536 58.267 0.269 19881 2313 1 9 . 1 1 44 44 SER CB C 44 64.380 64.380 63.921 0.459 19881 2314 1 9 . 1 1 44 44 SER H H 44 7.821 7.821 7.657 0.164 19881 2315 1 9 . 1 1 45 45 ASP N N 45 123.208 123.208 121.976 1.232 19881 2316 1 9 . 1 1 45 45 ASP HA H 45 4.576 4.576 4.829 -0.253 19881 2317 1 9 . 1 1 45 45 ASP C C 45 175.990 175.990 175.706 0.284 19881 2318 1 9 . 1 1 45 45 ASP CA C 45 54.264 54.264 53.735 0.529 19881 2319 1 9 . 1 1 45 45 ASP CB C 45 41.410 41.410 42.842 -1.431 19881 2320 1 9 . 1 1 45 45 ASP H H 45 8.293 8.293 8.506 -0.213 19881 2321 1 9 . 1 1 46 46 ASP N N 46 121.430 121.430 122.705 -1.275 19881 2322 1 9 . 1 1 46 46 ASP HA H 46 4.542 4.542 4.490 0.052 19881 2323 1 9 . 1 1 46 46 ASP C C 46 176.060 176.060 175.726 0.334 19881 2324 1 9 . 1 1 46 46 ASP CA C 46 54.250 54.250 53.670 0.580 19881 2325 1 9 . 1 1 46 46 ASP CB C 46 41.500 41.500 40.903 0.597 19881 2326 1 9 . 1 1 46 46 ASP H H 46 8.239 8.239 8.328 -0.089 19881 2327 1 9 . 1 1 47 47 GLU N N 47 123.031 123.031 120.320 2.711 19881 2328 1 9 . 1 1 47 47 GLU HA H 47 4.528 4.528 4.217 0.311 19881 2329 1 9 . 1 1 47 47 GLU CA C 47 54.651 54.651 56.084 -1.433 19881 2330 1 9 . 1 1 47 47 GLU CB C 47 29.910 29.910 29.606 0.304 19881 2331 1 9 . 1 1 47 47 GLU H H 47 8.163 8.163 8.274 -0.111 19881 2332 1 10 . 1 1 2 2 GLY N N 2 109.485 109.485 109.348 0.137 19881 2333 1 10 . 1 1 2 2 GLY C C 2 174.370 174.370 174.987 -0.617 19881 2334 1 10 . 1 1 2 2 GLY CA C 2 46.411 46.411 45.479 0.932 19881 2335 1 10 . 1 1 2 2 GLY H H 2 8.713 8.713 8.179 0.534 19881 2336 1 10 . 1 1 3 3 GLY N N 3 108.308 108.308 106.793 1.515 19881 2337 1 10 . 1 1 3 3 GLY C C 3 173.840 173.840 173.321 0.519 19881 2338 1 10 . 1 1 3 3 GLY CA C 3 45.276 45.276 44.565 0.711 19881 2339 1 10 . 1 1 3 3 GLY H H 3 8.326 8.326 7.375 0.951 19881 2340 1 10 . 1 1 4 4 ILE N N 4 120.682 120.682 121.594 -0.912 19881 2341 1 10 . 1 1 4 4 ILE HA H 4 4.330 4.330 4.277 0.053 19881 2342 1 10 . 1 1 4 4 ILE CA C 4 60.610 60.610 60.075 0.535 19881 2343 1 10 . 1 1 4 4 ILE CB C 4 39.100 39.100 38.139 0.961 19881 2344 1 10 . 1 1 4 4 ILE H H 4 7.605 7.605 7.998 -0.393 19881 2345 1 10 . 1 1 5 5 SER N N 5 121.157 121.157 122.095 -0.938 19881 2346 1 10 . 1 1 5 5 SER HA H 5 4.676 4.676 4.820 -0.144 19881 2347 1 10 . 1 1 5 5 SER C C 5 175.720 175.720 175.625 0.095 19881 2348 1 10 . 1 1 5 5 SER CA C 5 57.000 57.000 56.526 0.474 19881 2349 1 10 . 1 1 5 5 SER CB C 5 65.760 65.760 64.785 0.975 19881 2350 1 10 . 1 1 5 5 SER H H 5 8.167 8.167 8.287 -0.121 19881 2351 1 10 . 1 1 6 6 ILE N N 6 123.227 123.227 123.436 -0.209 19881 2352 1 10 . 1 1 6 6 ILE HA H 6 3.771 3.771 3.993 -0.222 19881 2353 1 10 . 1 1 6 6 ILE C C 6 176.660 176.660 178.289 -1.629 19881 2354 1 10 . 1 1 6 6 ILE CA C 6 63.890 63.890 64.034 -0.145 19881 2355 1 10 . 1 1 6 6 ILE CB C 6 37.173 37.173 37.274 -0.101 19881 2356 1 10 . 1 1 6 6 ILE H H 6 9.080 9.080 8.637 0.443 19881 2357 1 10 . 1 1 7 7 TRP N N 7 119.286 119.286 121.162 -1.876 19881 2358 1 10 . 1 1 7 7 TRP HA H 7 4.365 4.365 4.375 -0.010 19881 2359 1 10 . 1 1 7 7 TRP C C 7 177.800 177.800 177.636 0.164 19881 2360 1 10 . 1 1 7 7 TRP CA C 7 59.411 59.411 60.788 -1.377 19881 2361 1 10 . 1 1 7 7 TRP CB C 7 29.263 29.263 28.699 0.564 19881 2362 1 10 . 1 1 7 7 TRP H H 7 7.536 7.536 8.279 -0.743 19881 2363 1 10 . 1 1 8 8 GLN N N 8 117.821 117.821 117.844 -0.023 19881 2364 1 10 . 1 1 8 8 GLN HA H 8 3.732 3.732 3.557 0.175 19881 2365 1 10 . 1 1 8 8 GLN C C 8 177.765 177.765 178.144 -0.379 19881 2366 1 10 . 1 1 8 8 GLN CA C 8 59.367 59.367 58.980 0.387 19881 2367 1 10 . 1 1 8 8 GLN CB C 8 28.094 28.094 27.920 0.174 19881 2368 1 10 . 1 1 8 8 GLN H H 8 7.132 7.132 8.194 -1.062 19881 2369 1 10 . 1 1 9 9 LEU N N 9 118.175 118.175 120.656 -2.481 19881 2370 1 10 . 1 1 9 9 LEU HA H 9 3.916 3.916 3.879 0.037 19881 2371 1 10 . 1 1 9 9 LEU C C 9 178.096 178.096 178.758 -0.662 19881 2372 1 10 . 1 1 9 9 LEU CA C 9 58.057 58.057 57.887 0.170 19881 2373 1 10 . 1 1 9 9 LEU CB C 9 41.803 41.803 41.557 0.246 19881 2374 1 10 . 1 1 9 9 LEU H H 9 7.680 7.680 8.366 -0.686 19881 2375 1 10 . 1 1 10 10 LEU N N 10 118.370 118.370 120.040 -1.670 19881 2376 1 10 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.843 0.111 19881 2377 1 10 . 1 1 10 10 LEU C C 10 177.930 177.930 179.012 -1.082 19881 2378 1 10 . 1 1 10 10 LEU CA C 10 58.215 58.215 58.174 0.041 19881 2379 1 10 . 1 1 10 10 LEU CB C 10 41.770 41.770 41.691 0.079 19881 2380 1 10 . 1 1 10 10 LEU H H 10 8.182 8.182 7.703 0.479 19881 2381 1 10 . 1 1 11 11 ILE N N 11 117.907 117.907 119.475 -1.568 19881 2382 1 10 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.518 0.098 19881 2383 1 10 . 1 1 11 11 ILE C C 11 177.370 177.370 177.905 -0.535 19881 2384 1 10 . 1 1 11 11 ILE CA C 11 65.245 65.245 65.466 -0.220 19881 2385 1 10 . 1 1 11 11 ILE CB C 11 37.290 37.290 37.487 -0.197 19881 2386 1 10 . 1 1 11 11 ILE H H 11 7.676 7.676 6.962 0.714 19881 2387 1 10 . 1 1 12 12 ILE N N 12 118.851 118.851 120.560 -1.709 19881 2388 1 10 . 1 1 12 12 ILE HA H 12 3.525 3.525 3.618 -0.093 19881 2389 1 10 . 1 1 12 12 ILE C C 12 176.908 176.908 177.812 -0.904 19881 2390 1 10 . 1 1 12 12 ILE CA C 12 65.463 65.463 63.735 1.728 19881 2391 1 10 . 1 1 12 12 ILE CB C 12 37.450 37.450 36.926 0.524 19881 2392 1 10 . 1 1 12 12 ILE H H 12 7.756 7.756 7.771 -0.016 19881 2393 1 10 . 1 1 13 13 ALA N N 13 121.114 121.114 122.336 -1.222 19881 2394 1 10 . 1 1 13 13 ALA HA H 13 3.822 3.822 4.099 -0.277 19881 2395 1 10 . 1 1 13 13 ALA C C 13 178.605 178.605 180.061 -1.456 19881 2396 1 10 . 1 1 13 13 ALA CA C 13 55.753 55.753 55.411 0.342 19881 2397 1 10 . 1 1 13 13 ALA CB C 13 17.799 17.799 18.124 -0.325 19881 2398 1 10 . 1 1 13 13 ALA H H 13 8.367 8.367 8.860 -0.493 19881 2399 1 10 . 1 1 14 14 VAL N N 14 116.560 116.560 119.586 -3.026 19881 2400 1 10 . 1 1 14 14 VAL HA H 14 3.418 3.418 3.709 -0.291 19881 2401 1 10 . 1 1 14 14 VAL C C 14 177.236 177.236 178.188 -0.952 19881 2402 1 10 . 1 1 14 14 VAL CA C 14 67.304 67.304 66.662 0.642 19881 2403 1 10 . 1 1 14 14 VAL CB C 14 31.360 31.360 31.312 0.048 19881 2404 1 10 . 1 1 14 14 VAL H H 14 8.164 8.164 7.983 0.181 19881 2405 1 10 . 1 1 15 15 ILE N N 15 119.573 119.573 120.084 -0.511 19881 2406 1 10 . 1 1 15 15 ILE HA H 15 3.517 3.517 3.773 -0.256 19881 2407 1 10 . 1 1 15 15 ILE C C 15 177.490 177.490 178.513 -1.023 19881 2408 1 10 . 1 1 15 15 ILE CA C 15 65.828 65.828 64.745 1.083 19881 2409 1 10 . 1 1 15 15 ILE CB C 15 37.364 37.364 36.772 0.592 19881 2410 1 10 . 1 1 15 15 ILE H H 15 8.045 8.045 7.905 0.140 19881 2411 1 10 . 1 1 16 16 VAL N N 16 118.777 118.777 120.627 -1.850 19881 2412 1 10 . 1 1 16 16 VAL HA H 16 3.597 3.597 3.732 -0.135 19881 2413 1 10 . 1 1 16 16 VAL C C 16 177.993 177.993 178.322 -0.329 19881 2414 1 10 . 1 1 16 16 VAL CA C 16 67.680 67.680 66.458 1.222 19881 2415 1 10 . 1 1 16 16 VAL CB C 16 31.240 31.240 31.299 -0.059 19881 2416 1 10 . 1 1 16 16 VAL H H 16 8.481 8.481 8.286 0.195 19881 2417 1 10 . 1 1 17 17 VAL N N 17 120.072 120.072 119.783 0.289 19881 2418 1 10 . 1 1 17 17 VAL HA H 17 3.602 3.602 3.672 -0.070 19881 2419 1 10 . 1 1 17 17 VAL C C 17 178.199 178.199 178.135 0.064 19881 2420 1 10 . 1 1 17 17 VAL CA C 17 67.426 67.426 66.957 0.469 19881 2421 1 10 . 1 1 17 17 VAL CB C 17 31.187 31.187 31.710 -0.523 19881 2422 1 10 . 1 1 17 17 VAL H H 17 8.329 8.329 7.778 0.551 19881 2423 1 10 . 1 1 18 18 LEU N N 18 120.167 120.167 119.108 1.059 19881 2424 1 10 . 1 1 18 18 LEU HA H 18 4.012 4.012 3.983 0.029 19881 2425 1 10 . 1 1 18 18 LEU C C 18 178.985 178.985 179.221 -0.236 19881 2426 1 10 . 1 1 18 18 LEU CA C 18 58.130 58.130 57.699 0.431 19881 2427 1 10 . 1 1 18 18 LEU CB C 18 42.045 42.045 41.203 0.842 19881 2428 1 10 . 1 1 18 18 LEU H H 18 8.413 8.413 7.485 0.928 19881 2429 1 10 . 1 1 19 19 LEU N N 19 118.603 118.603 119.335 -0.732 19881 2430 1 10 . 1 1 19 19 LEU HA H 19 3.984 3.984 3.901 0.083 19881 2431 1 10 . 1 1 19 19 LEU C C 19 178.510 178.510 178.750 -0.240 19881 2432 1 10 . 1 1 19 19 LEU CA C 19 57.831 57.831 57.780 0.051 19881 2433 1 10 . 1 1 19 19 LEU CB C 19 42.406 42.406 42.072 0.334 19881 2434 1 10 . 1 1 19 19 LEU H H 19 8.420 8.420 8.104 0.316 19881 2435 1 10 . 1 1 20 20 PHE N N 20 116.154 116.154 117.318 -1.164 19881 2436 1 10 . 1 1 20 20 PHE HA H 20 4.508 4.508 4.342 0.166 19881 2437 1 10 . 1 1 20 20 PHE C C 20 178.062 178.062 176.972 1.090 19881 2438 1 10 . 1 1 20 20 PHE CA C 20 60.202 60.202 60.108 0.094 19881 2439 1 10 . 1 1 20 20 PHE CB C 20 40.126 40.126 39.673 0.453 19881 2440 1 10 . 1 1 20 20 PHE H H 20 8.451 8.451 8.627 -0.176 19881 2441 1 10 . 1 1 21 21 GLY N N 21 108.705 108.705 105.704 3.001 19881 2442 1 10 . 1 1 21 21 GLY C C 21 173.997 173.997 174.450 -0.453 19881 2443 1 10 . 1 1 21 21 GLY CA C 21 46.189 46.189 45.253 0.936 19881 2444 1 10 . 1 1 21 21 GLY H H 21 8.754 8.754 8.148 0.606 19881 2445 1 10 . 1 1 22 22 THR N N 22 111.556 111.556 108.602 2.954 19881 2446 1 10 . 1 1 22 22 THR HA H 22 4.080 4.080 3.923 0.157 19881 2447 1 10 . 1 1 22 22 THR CA C 22 64.722 64.722 63.478 1.244 19881 2448 1 10 . 1 1 22 22 THR CB C 22 69.150 69.150 67.743 1.407 19881 2449 1 10 . 1 1 22 22 THR H H 22 8.190 8.190 8.095 0.095 19881 2450 1 10 . 1 1 23 23 LYS N N 23 121.733 121.733 117.853 3.880 19881 2451 1 10 . 1 1 23 23 LYS HA H 23 4.175 4.175 4.162 0.013 19881 2452 1 10 . 1 1 23 23 LYS C C 23 178.622 178.622 177.624 0.998 19881 2453 1 10 . 1 1 23 23 LYS CA C 23 58.378 58.378 58.345 0.033 19881 2454 1 10 . 1 1 23 23 LYS CB C 23 31.639 31.639 32.856 -1.217 19881 2455 1 10 . 1 1 23 23 LYS H H 23 8.165 8.165 7.904 0.261 19881 2456 1 10 . 1 1 24 24 LYS N N 24 118.854 118.854 120.312 -1.458 19881 2457 1 10 . 1 1 24 24 LYS HA H 24 4.246 4.246 4.127 0.119 19881 2458 1 10 . 1 1 24 24 LYS C C 24 177.705 177.705 178.272 -0.567 19881 2459 1 10 . 1 1 24 24 LYS CA C 24 57.026 57.026 58.350 -1.324 19881 2460 1 10 . 1 1 24 24 LYS CB C 24 32.471 32.471 31.364 1.107 19881 2461 1 10 . 1 1 24 24 LYS H H 24 8.144 8.144 8.286 -0.142 19881 2462 1 10 . 1 1 25 25 LEU N N 25 118.583 118.583 118.411 0.172 19881 2463 1 10 . 1 1 25 25 LEU HA H 25 4.148 4.148 3.993 0.155 19881 2464 1 10 . 1 1 25 25 LEU C C 25 177.815 177.815 179.406 -1.591 19881 2465 1 10 . 1 1 25 25 LEU CA C 25 56.511 56.511 58.399 -1.888 19881 2466 1 10 . 1 1 25 25 LEU CB C 25 41.955 41.955 41.230 0.725 19881 2467 1 10 . 1 1 25 25 LEU H H 25 7.820 7.820 8.001 -0.181 19881 2468 1 10 . 1 1 26 26 GLY N N 26 106.160 106.160 104.400 1.760 19881 2469 1 10 . 1 1 26 26 GLY C C 26 175.013 175.013 175.728 -0.715 19881 2470 1 10 . 1 1 26 26 GLY CA C 26 46.414 46.414 46.977 -0.563 19881 2471 1 10 . 1 1 26 26 GLY H H 26 8.146 8.146 8.343 -0.197 19881 2472 1 10 . 1 1 27 27 SER N N 27 116.361 116.361 116.891 -0.530 19881 2473 1 10 . 1 1 27 27 SER HA H 27 4.441 4.441 4.330 0.111 19881 2474 1 10 . 1 1 27 27 SER C C 27 175.407 175.407 176.148 -0.741 19881 2475 1 10 . 1 1 27 27 SER CA C 27 59.665 59.665 61.728 -2.063 19881 2476 1 10 . 1 1 27 27 SER CB C 27 63.672 63.672 63.766 -0.094 19881 2477 1 10 . 1 1 27 27 SER H H 27 8.046 8.046 7.303 0.743 19881 2478 1 10 . 1 1 28 28 ILE N N 28 121.108 121.108 116.865 4.243 19881 2479 1 10 . 1 1 28 28 ILE HA H 28 4.090 4.090 4.446 -0.356 19881 2480 1 10 . 1 1 28 28 ILE C C 28 176.733 176.733 177.254 -0.521 19881 2481 1 10 . 1 1 28 28 ILE CA C 28 62.883 62.883 62.756 0.127 19881 2482 1 10 . 1 1 28 28 ILE CB C 28 38.348 38.348 37.981 0.367 19881 2483 1 10 . 1 1 28 28 ILE H H 28 7.847 7.847 8.543 -0.696 19881 2484 1 10 . 1 1 29 29 GLY N N 29 109.304 109.304 108.906 0.398 19881 2485 1 10 . 1 1 29 29 GLY C C 29 174.534 174.534 176.365 -1.831 19881 2486 1 10 . 1 1 29 29 GLY CA C 29 46.278 46.278 47.690 -1.412 19881 2487 1 10 . 1 1 29 29 GLY H H 29 8.329 8.329 8.785 -0.456 19881 2488 1 10 . 1 1 30 30 SER N N 30 115.814 115.814 116.288 -0.474 19881 2489 1 10 . 1 1 30 30 SER HA H 30 4.301 4.301 4.224 0.077 19881 2490 1 10 . 1 1 30 30 SER C C 30 175.445 175.445 176.296 -0.851 19881 2491 1 10 . 1 1 30 30 SER CA C 30 60.378 60.378 61.803 -1.425 19881 2492 1 10 . 1 1 30 30 SER CB C 30 63.575 63.575 62.855 0.720 19881 2493 1 10 . 1 1 30 30 SER H H 30 8.026 8.026 7.919 0.107 19881 2494 1 10 . 1 1 31 31 ASP N N 31 122.351 122.351 123.496 -1.145 19881 2495 1 10 . 1 1 31 31 ASP HA H 31 4.648 4.648 4.678 -0.030 19881 2496 1 10 . 1 1 31 31 ASP C C 31 177.501 177.501 178.354 -0.853 19881 2497 1 10 . 1 1 31 31 ASP CA C 31 55.138 55.138 56.305 -1.167 19881 2498 1 10 . 1 1 31 31 ASP CB C 31 40.847 40.847 40.870 -0.023 19881 2499 1 10 . 1 1 31 31 ASP H H 31 8.261 8.261 7.629 0.632 19881 2500 1 10 . 1 1 32 32 LEU N N 32 123.303 123.303 121.057 2.246 19881 2501 1 10 . 1 1 32 32 LEU HA H 32 4.146 4.146 4.172 -0.026 19881 2502 1 10 . 1 1 32 32 LEU C C 32 178.653 178.653 179.068 -0.415 19881 2503 1 10 . 1 1 32 32 LEU CA C 32 57.539 57.539 57.770 -0.231 19881 2504 1 10 . 1 1 32 32 LEU CB C 32 42.175 42.175 41.550 0.625 19881 2505 1 10 . 1 1 32 32 LEU H H 32 8.400 8.400 8.570 -0.170 19881 2506 1 10 . 1 1 33 33 GLY N N 33 107.221 107.221 106.439 0.782 19881 2507 1 10 . 1 1 33 33 GLY C C 33 175.646 175.646 175.378 0.268 19881 2508 1 10 . 1 1 33 33 GLY CA C 33 47.342 47.342 47.377 -0.035 19881 2509 1 10 . 1 1 33 33 GLY H H 33 8.582 8.582 8.786 -0.204 19881 2510 1 10 . 1 1 34 34 ALA N N 34 123.643 123.643 123.392 0.251 19881 2511 1 10 . 1 1 34 34 ALA HA H 34 4.165 4.165 4.163 0.002 19881 2512 1 10 . 1 1 34 34 ALA C C 34 180.302 180.302 179.452 0.850 19881 2513 1 10 . 1 1 34 34 ALA CA C 34 54.422 54.422 54.809 -0.387 19881 2514 1 10 . 1 1 34 34 ALA CB C 34 18.645 18.645 18.365 0.280 19881 2515 1 10 . 1 1 34 34 ALA H H 34 8.012 8.012 7.588 0.424 19881 2516 1 10 . 1 1 35 35 SER N N 35 115.942 115.942 114.887 1.055 19881 2517 1 10 . 1 1 35 35 SER HA H 35 4.342 4.342 4.225 0.117 19881 2518 1 10 . 1 1 35 35 SER C C 35 176.430 176.430 176.912 -0.482 19881 2519 1 10 . 1 1 35 35 SER CA C 35 61.552 61.552 61.646 -0.094 19881 2520 1 10 . 1 1 35 35 SER CB C 35 63.404 63.404 63.242 0.162 19881 2521 1 10 . 1 1 35 35 SER H H 35 8.021 8.021 7.887 0.134 19881 2522 1 10 . 1 1 36 36 ILE N N 36 121.829 121.829 122.691 -0.862 19881 2523 1 10 . 1 1 36 36 ILE HA H 36 3.855 3.855 3.842 0.013 19881 2524 1 10 . 1 1 36 36 ILE C C 36 177.310 177.310 177.469 -0.159 19881 2525 1 10 . 1 1 36 36 ILE CA C 36 64.467 64.467 63.414 1.053 19881 2526 1 10 . 1 1 36 36 ILE CB C 36 37.790 37.790 37.533 0.257 19881 2527 1 10 . 1 1 36 36 ILE H H 36 8.170 8.170 8.428 -0.258 19881 2528 1 10 . 1 1 37 37 LYS N N 37 120.804 120.804 120.907 -0.103 19881 2529 1 10 . 1 1 37 37 LYS HA H 37 3.998 3.998 3.985 0.013 19881 2530 1 10 . 1 1 37 37 LYS C C 37 178.932 178.932 179.404 -0.472 19881 2531 1 10 . 1 1 37 37 LYS CA C 37 59.665 59.665 60.468 -0.803 19881 2532 1 10 . 1 1 37 37 LYS CB C 37 32.400 32.400 32.187 0.214 19881 2533 1 10 . 1 1 37 37 LYS H H 37 8.039 8.039 8.084 -0.045 19881 2534 1 10 . 1 1 38 38 GLY N N 38 107.479 107.479 106.377 1.102 19881 2535 1 10 . 1 1 38 38 GLY C C 38 176.690 176.690 175.989 0.701 19881 2536 1 10 . 1 1 38 38 GLY CA C 38 46.426 46.426 46.880 -0.454 19881 2537 1 10 . 1 1 38 38 GLY H H 38 8.145 8.145 8.247 -0.102 19881 2538 1 10 . 1 1 39 39 PHE N N 39 122.726 122.726 123.333 -0.607 19881 2539 1 10 . 1 1 39 39 PHE HA H 39 4.389 4.389 4.293 0.096 19881 2540 1 10 . 1 1 39 39 PHE C C 39 176.506 176.506 176.708 -0.202 19881 2541 1 10 . 1 1 39 39 PHE CA C 39 60.235 60.235 60.609 -0.374 19881 2542 1 10 . 1 1 39 39 PHE CB C 39 39.354 39.354 39.654 -0.300 19881 2543 1 10 . 1 1 39 39 PHE H H 39 8.078 8.078 8.041 0.037 19881 2544 1 10 . 1 1 40 40 LYS N N 40 119.668 119.668 119.448 0.220 19881 2545 1 10 . 1 1 40 40 LYS HA H 40 3.925 3.925 3.953 -0.028 19881 2546 1 10 . 1 1 40 40 LYS C C 40 178.275 178.275 178.528 -0.253 19881 2547 1 10 . 1 1 40 40 LYS CA C 40 58.940 58.940 59.625 -0.685 19881 2548 1 10 . 1 1 40 40 LYS CB C 40 32.523 32.523 32.130 0.392 19881 2549 1 10 . 1 1 40 40 LYS H H 40 8.192 8.192 9.147 -0.955 19881 2550 1 10 . 1 1 41 41 LYS N N 41 120.878 120.878 119.668 1.210 19881 2551 1 10 . 1 1 41 41 LYS HA H 41 4.109 4.109 3.940 0.169 19881 2552 1 10 . 1 1 41 41 LYS C C 41 177.740 177.740 177.849 -0.109 19881 2553 1 10 . 1 1 41 41 LYS CA C 41 58.105 58.105 59.058 -0.953 19881 2554 1 10 . 1 1 41 41 LYS CB C 41 32.516 32.516 32.193 0.323 19881 2555 1 10 . 1 1 41 41 LYS H H 41 7.997 7.997 8.111 -0.114 19881 2556 1 10 . 1 1 42 42 ALA N N 42 122.719 122.719 120.998 1.721 19881 2557 1 10 . 1 1 42 42 ALA HA H 42 4.213 4.213 4.099 0.114 19881 2558 1 10 . 1 1 42 42 ALA C C 42 178.450 178.450 179.247 -0.797 19881 2559 1 10 . 1 1 42 42 ALA CA C 42 53.586 53.586 54.413 -0.827 19881 2560 1 10 . 1 1 42 42 ALA CB C 42 18.919 18.919 18.803 0.116 19881 2561 1 10 . 1 1 42 42 ALA H H 42 7.900 7.900 7.472 0.428 19881 2562 1 10 . 1 1 43 43 MET N N 43 115.999 115.999 115.961 0.038 19881 2563 1 10 . 1 1 43 43 MET HA H 43 4.415 4.415 4.527 -0.112 19881 2564 1 10 . 1 1 43 43 MET C C 43 176.270 176.270 177.341 -1.071 19881 2565 1 10 . 1 1 43 43 MET CA C 43 55.488 55.488 54.998 0.490 19881 2566 1 10 . 1 1 43 43 MET CB C 43 33.279 33.279 32.367 0.912 19881 2567 1 10 . 1 1 43 43 MET H H 43 7.757 7.757 7.377 0.380 19881 2568 1 10 . 1 1 44 44 SER N N 44 115.396 115.396 114.581 0.815 19881 2569 1 10 . 1 1 44 44 SER HA H 44 4.463 4.463 4.146 0.317 19881 2570 1 10 . 1 1 44 44 SER C C 44 173.950 173.950 173.560 0.390 19881 2571 1 10 . 1 1 44 44 SER CA C 44 58.536 58.536 59.730 -1.194 19881 2572 1 10 . 1 1 44 44 SER CB C 44 64.380 64.380 63.672 0.708 19881 2573 1 10 . 1 1 44 44 SER H H 44 7.821 7.821 8.298 -0.477 19881 2574 1 10 . 1 1 45 45 ASP N N 45 123.208 123.208 120.901 2.307 19881 2575 1 10 . 1 1 45 45 ASP HA H 45 4.576 4.576 4.614 -0.038 19881 2576 1 10 . 1 1 45 45 ASP C C 45 175.990 175.990 175.722 0.268 19881 2577 1 10 . 1 1 45 45 ASP CA C 45 54.264 54.264 54.922 -0.658 19881 2578 1 10 . 1 1 45 45 ASP CB C 45 41.410 41.410 41.188 0.222 19881 2579 1 10 . 1 1 45 45 ASP H H 45 8.293 8.293 8.382 -0.089 19881 2580 1 10 . 1 1 46 46 ASP N N 46 121.430 121.430 119.682 1.748 19881 2581 1 10 . 1 1 46 46 ASP HA H 46 4.542 4.542 4.542 -0.000 19881 2582 1 10 . 1 1 46 46 ASP C C 46 176.060 176.060 175.923 0.137 19881 2583 1 10 . 1 1 46 46 ASP CA C 46 54.250 54.250 53.630 0.620 19881 2584 1 10 . 1 1 46 46 ASP CB C 46 41.500 41.500 39.675 1.825 19881 2585 1 10 . 1 1 46 46 ASP H H 46 8.239 8.239 8.022 0.217 19881 2586 1 10 . 1 1 47 47 GLU N N 47 123.031 123.031 118.638 4.393 19881 2587 1 10 . 1 1 47 47 GLU HA H 47 4.528 4.528 3.982 0.546 19881 2588 1 10 . 1 1 47 47 GLU CA C 47 54.651 54.651 56.156 -1.505 19881 2589 1 10 . 1 1 47 47 GLU CB C 47 29.910 29.910 28.102 1.808 19881 2590 1 10 . 1 1 47 47 GLU H H 47 8.163 8.163 7.948 0.215 19881 2591 1 11 . 1 1 2 2 GLY N N 2 109.485 109.485 107.394 2.091 19881 2592 1 11 . 1 1 2 2 GLY C C 2 174.370 174.370 174.468 -0.098 19881 2593 1 11 . 1 1 2 2 GLY CA C 2 46.411 46.411 45.103 1.308 19881 2594 1 11 . 1 1 2 2 GLY H H 2 8.713 8.713 8.089 0.624 19881 2595 1 11 . 1 1 3 3 GLY N N 3 108.308 108.308 108.627 -0.319 19881 2596 1 11 . 1 1 3 3 GLY C C 3 173.840 173.840 175.001 -1.161 19881 2597 1 11 . 1 1 3 3 GLY CA C 3 45.276 45.276 44.590 0.686 19881 2598 1 11 . 1 1 3 3 GLY H H 3 8.326 8.326 7.845 0.481 19881 2599 1 11 . 1 1 4 4 ILE N N 4 120.682 120.682 119.286 1.396 19881 2600 1 11 . 1 1 4 4 ILE HA H 4 4.330 4.330 4.052 0.278 19881 2601 1 11 . 1 1 4 4 ILE CA C 4 60.610 60.610 63.206 -2.596 19881 2602 1 11 . 1 1 4 4 ILE CB C 4 39.100 39.100 38.370 0.730 19881 2603 1 11 . 1 1 4 4 ILE H H 4 7.605 7.605 7.963 -0.358 19881 2604 1 11 . 1 1 5 5 SER N N 5 121.157 121.157 110.683 10.474 19881 2605 1 11 . 1 1 5 5 SER HA H 5 4.676 4.676 4.641 0.035 19881 2606 1 11 . 1 1 5 5 SER C C 5 175.720 175.720 174.432 1.288 19881 2607 1 11 . 1 1 5 5 SER CA C 5 57.000 57.000 57.718 -0.718 19881 2608 1 11 . 1 1 5 5 SER CB C 5 65.760 65.760 64.468 1.292 19881 2609 1 11 . 1 1 5 5 SER H H 5 8.167 8.167 7.511 0.656 19881 2610 1 11 . 1 1 6 6 ILE N N 6 123.227 123.227 123.563 -0.336 19881 2611 1 11 . 1 1 6 6 ILE HA H 6 3.771 3.771 3.899 -0.128 19881 2612 1 11 . 1 1 6 6 ILE C C 6 176.660 176.660 177.534 -0.874 19881 2613 1 11 . 1 1 6 6 ILE CA C 6 63.890 63.890 64.597 -0.707 19881 2614 1 11 . 1 1 6 6 ILE CB C 6 37.173 37.173 37.523 -0.350 19881 2615 1 11 . 1 1 6 6 ILE H H 6 9.080 9.080 8.743 0.337 19881 2616 1 11 . 1 1 7 7 TRP N N 7 119.286 119.286 121.094 -1.808 19881 2617 1 11 . 1 1 7 7 TRP HA H 7 4.365 4.365 4.418 -0.053 19881 2618 1 11 . 1 1 7 7 TRP C C 7 177.800 177.800 177.808 -0.008 19881 2619 1 11 . 1 1 7 7 TRP CA C 7 59.411 59.411 60.728 -1.317 19881 2620 1 11 . 1 1 7 7 TRP CB C 7 29.263 29.263 28.849 0.414 19881 2621 1 11 . 1 1 7 7 TRP H H 7 7.536 7.536 8.347 -0.811 19881 2622 1 11 . 1 1 8 8 GLN N N 8 117.821 117.821 117.688 0.133 19881 2623 1 11 . 1 1 8 8 GLN HA H 8 3.732 3.732 3.798 -0.066 19881 2624 1 11 . 1 1 8 8 GLN C C 8 177.765 177.765 178.466 -0.701 19881 2625 1 11 . 1 1 8 8 GLN CA C 8 59.367 59.367 58.763 0.604 19881 2626 1 11 . 1 1 8 8 GLN CB C 8 28.094 28.094 28.127 -0.033 19881 2627 1 11 . 1 1 8 8 GLN H H 8 7.132 7.132 8.363 -1.231 19881 2628 1 11 . 1 1 9 9 LEU N N 9 118.175 118.175 120.939 -2.764 19881 2629 1 11 . 1 1 9 9 LEU HA H 9 3.916 3.916 3.919 -0.003 19881 2630 1 11 . 1 1 9 9 LEU C C 9 178.096 178.096 179.179 -1.083 19881 2631 1 11 . 1 1 9 9 LEU CA C 9 58.057 58.057 58.014 0.042 19881 2632 1 11 . 1 1 9 9 LEU CB C 9 41.803 41.803 41.577 0.226 19881 2633 1 11 . 1 1 9 9 LEU H H 9 7.680 7.680 8.374 -0.694 19881 2634 1 11 . 1 1 10 10 LEU N N 10 118.370 118.370 120.118 -1.748 19881 2635 1 11 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.818 0.136 19881 2636 1 11 . 1 1 10 10 LEU C C 10 177.930 177.930 178.982 -1.052 19881 2637 1 11 . 1 1 10 10 LEU CA C 10 58.215 58.215 58.234 -0.019 19881 2638 1 11 . 1 1 10 10 LEU CB C 10 41.770 41.770 41.633 0.137 19881 2639 1 11 . 1 1 10 10 LEU H H 10 8.182 8.182 7.821 0.361 19881 2640 1 11 . 1 1 11 11 ILE N N 11 117.907 117.907 119.590 -1.683 19881 2641 1 11 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.437 0.179 19881 2642 1 11 . 1 1 11 11 ILE C C 11 177.370 177.370 177.953 -0.583 19881 2643 1 11 . 1 1 11 11 ILE CA C 11 65.245 65.245 65.605 -0.360 19881 2644 1 11 . 1 1 11 11 ILE CB C 11 37.290 37.290 37.626 -0.336 19881 2645 1 11 . 1 1 11 11 ILE H H 11 7.676 7.676 7.094 0.582 19881 2646 1 11 . 1 1 12 12 ILE N N 12 118.851 118.851 120.600 -1.749 19881 2647 1 11 . 1 1 12 12 ILE HA H 12 3.525 3.525 3.639 -0.114 19881 2648 1 11 . 1 1 12 12 ILE C C 12 176.908 176.908 177.798 -0.890 19881 2649 1 11 . 1 1 12 12 ILE CA C 12 65.463 65.463 63.693 1.770 19881 2650 1 11 . 1 1 12 12 ILE CB C 12 37.450 37.450 36.932 0.518 19881 2651 1 11 . 1 1 12 12 ILE H H 12 7.756 7.756 7.880 -0.124 19881 2652 1 11 . 1 1 13 13 ALA N N 13 121.114 121.114 122.172 -1.058 19881 2653 1 11 . 1 1 13 13 ALA HA H 13 3.822 3.822 4.085 -0.263 19881 2654 1 11 . 1 1 13 13 ALA C C 13 178.605 178.605 180.023 -1.418 19881 2655 1 11 . 1 1 13 13 ALA CA C 13 55.753 55.753 55.339 0.414 19881 2656 1 11 . 1 1 13 13 ALA CB C 13 17.799 17.799 18.100 -0.301 19881 2657 1 11 . 1 1 13 13 ALA H H 13 8.367 8.367 8.787 -0.420 19881 2658 1 11 . 1 1 14 14 VAL N N 14 116.560 116.560 119.427 -2.867 19881 2659 1 11 . 1 1 14 14 VAL HA H 14 3.418 3.418 3.549 -0.131 19881 2660 1 11 . 1 1 14 14 VAL C C 14 177.236 177.236 177.938 -0.702 19881 2661 1 11 . 1 1 14 14 VAL CA C 14 67.304 67.304 66.753 0.551 19881 2662 1 11 . 1 1 14 14 VAL CB C 14 31.360 31.360 31.842 -0.482 19881 2663 1 11 . 1 1 14 14 VAL H H 14 8.164 8.164 8.060 0.104 19881 2664 1 11 . 1 1 15 15 ILE N N 15 119.573 119.573 120.014 -0.441 19881 2665 1 11 . 1 1 15 15 ILE HA H 15 3.517 3.517 3.639 -0.122 19881 2666 1 11 . 1 1 15 15 ILE C C 15 177.490 177.490 178.000 -0.510 19881 2667 1 11 . 1 1 15 15 ILE CA C 15 65.828 65.828 65.555 0.273 19881 2668 1 11 . 1 1 15 15 ILE CB C 15 37.364 37.364 37.808 -0.444 19881 2669 1 11 . 1 1 15 15 ILE H H 15 8.045 8.045 7.883 0.162 19881 2670 1 11 . 1 1 16 16 VAL N N 16 118.777 118.777 119.941 -1.164 19881 2671 1 11 . 1 1 16 16 VAL HA H 16 3.597 3.597 3.663 -0.066 19881 2672 1 11 . 1 1 16 16 VAL C C 16 177.993 177.993 177.613 0.380 19881 2673 1 11 . 1 1 16 16 VAL CA C 16 67.680 67.680 67.041 0.639 19881 2674 1 11 . 1 1 16 16 VAL CB C 16 31.240 31.240 31.992 -0.752 19881 2675 1 11 . 1 1 16 16 VAL H H 16 8.481 8.481 8.118 0.363 19881 2676 1 11 . 1 1 17 17 VAL N N 17 120.072 120.072 119.791 0.281 19881 2677 1 11 . 1 1 17 17 VAL HA H 17 3.602 3.602 3.668 -0.066 19881 2678 1 11 . 1 1 17 17 VAL C C 17 178.199 178.199 177.899 0.300 19881 2679 1 11 . 1 1 17 17 VAL CA C 17 67.426 67.426 66.930 0.496 19881 2680 1 11 . 1 1 17 17 VAL CB C 17 31.187 31.187 31.666 -0.479 19881 2681 1 11 . 1 1 17 17 VAL H H 17 8.329 8.329 7.740 0.589 19881 2682 1 11 . 1 1 18 18 LEU N N 18 120.167 120.167 119.240 0.927 19881 2683 1 11 . 1 1 18 18 LEU HA H 18 4.012 4.012 3.966 0.046 19881 2684 1 11 . 1 1 18 18 LEU C C 18 178.985 178.985 179.288 -0.303 19881 2685 1 11 . 1 1 18 18 LEU CA C 18 58.130 58.130 57.674 0.456 19881 2686 1 11 . 1 1 18 18 LEU CB C 18 42.045 42.045 41.495 0.550 19881 2687 1 11 . 1 1 18 18 LEU H H 18 8.413 8.413 7.527 0.886 19881 2688 1 11 . 1 1 19 19 LEU N N 19 118.603 118.603 116.841 1.762 19881 2689 1 11 . 1 1 19 19 LEU HA H 19 3.984 3.984 4.043 -0.059 19881 2690 1 11 . 1 1 19 19 LEU C C 19 178.510 178.510 178.825 -0.315 19881 2691 1 11 . 1 1 19 19 LEU CA C 19 57.831 57.831 57.490 0.341 19881 2692 1 11 . 1 1 19 19 LEU CB C 19 42.406 42.406 41.332 1.074 19881 2693 1 11 . 1 1 19 19 LEU H H 19 8.420 8.420 7.688 0.732 19881 2694 1 11 . 1 1 20 20 PHE N N 20 116.154 116.154 118.825 -2.671 19881 2695 1 11 . 1 1 20 20 PHE HA H 20 4.508 4.508 4.289 0.219 19881 2696 1 11 . 1 1 20 20 PHE C C 20 178.062 178.062 176.799 1.263 19881 2697 1 11 . 1 1 20 20 PHE CA C 20 60.202 60.202 60.336 -0.134 19881 2698 1 11 . 1 1 20 20 PHE CB C 20 40.126 40.126 39.865 0.261 19881 2699 1 11 . 1 1 20 20 PHE H H 20 8.451 8.451 8.259 0.192 19881 2700 1 11 . 1 1 21 21 GLY N N 21 108.705 108.705 103.741 4.964 19881 2701 1 11 . 1 1 21 21 GLY C C 21 173.997 173.997 174.438 -0.441 19881 2702 1 11 . 1 1 21 21 GLY CA C 21 46.189 46.189 45.438 0.751 19881 2703 1 11 . 1 1 21 21 GLY H H 21 8.754 8.754 8.045 0.709 19881 2704 1 11 . 1 1 22 22 THR N N 22 111.556 111.556 110.067 1.489 19881 2705 1 11 . 1 1 22 22 THR HA H 22 4.080 4.080 3.868 0.212 19881 2706 1 11 . 1 1 22 22 THR CA C 22 64.722 64.722 63.807 0.915 19881 2707 1 11 . 1 1 22 22 THR CB C 22 69.150 69.150 67.585 1.565 19881 2708 1 11 . 1 1 22 22 THR H H 22 8.190 8.190 8.059 0.131 19881 2709 1 11 . 1 1 23 23 LYS N N 23 121.733 121.733 118.741 2.992 19881 2710 1 11 . 1 1 23 23 LYS HA H 23 4.175 4.175 4.247 -0.072 19881 2711 1 11 . 1 1 23 23 LYS C C 23 178.622 178.622 177.472 1.150 19881 2712 1 11 . 1 1 23 23 LYS CA C 23 58.378 58.378 58.118 0.260 19881 2713 1 11 . 1 1 23 23 LYS CB C 23 31.639 31.639 32.680 -1.041 19881 2714 1 11 . 1 1 23 23 LYS H H 23 8.165 8.165 8.124 0.041 19881 2715 1 11 . 1 1 24 24 LYS N N 24 118.854 118.854 120.525 -1.671 19881 2716 1 11 . 1 1 24 24 LYS HA H 24 4.246 4.246 4.316 -0.070 19881 2717 1 11 . 1 1 24 24 LYS C C 24 177.705 177.705 178.384 -0.679 19881 2718 1 11 . 1 1 24 24 LYS CA C 24 57.026 57.026 57.814 -0.788 19881 2719 1 11 . 1 1 24 24 LYS CB C 24 32.471 32.471 31.530 0.941 19881 2720 1 11 . 1 1 24 24 LYS H H 24 8.144 8.144 7.740 0.404 19881 2721 1 11 . 1 1 25 25 LEU N N 25 118.583 118.583 119.085 -0.502 19881 2722 1 11 . 1 1 25 25 LEU HA H 25 4.148 4.148 3.888 0.260 19881 2723 1 11 . 1 1 25 25 LEU C C 25 177.815 177.815 178.757 -0.942 19881 2724 1 11 . 1 1 25 25 LEU CA C 25 56.511 56.511 58.437 -1.926 19881 2725 1 11 . 1 1 25 25 LEU CB C 25 41.955 41.955 40.989 0.967 19881 2726 1 11 . 1 1 25 25 LEU H H 25 7.820 7.820 8.229 -0.409 19881 2727 1 11 . 1 1 26 26 GLY N N 26 106.160 106.160 102.314 3.846 19881 2728 1 11 . 1 1 26 26 GLY C C 26 175.013 175.013 175.631 -0.618 19881 2729 1 11 . 1 1 26 26 GLY CA C 26 46.414 46.414 46.495 -0.081 19881 2730 1 11 . 1 1 26 26 GLY H H 26 8.146 8.146 8.067 0.079 19881 2731 1 11 . 1 1 27 27 SER N N 27 116.361 116.361 116.186 0.175 19881 2732 1 11 . 1 1 27 27 SER HA H 27 4.441 4.441 4.557 -0.116 19881 2733 1 11 . 1 1 27 27 SER C C 27 175.407 175.407 175.933 -0.526 19881 2734 1 11 . 1 1 27 27 SER CA C 27 59.665 59.665 60.139 -0.474 19881 2735 1 11 . 1 1 27 27 SER CB C 27 63.672 63.672 64.193 -0.521 19881 2736 1 11 . 1 1 27 27 SER H H 27 8.046 8.046 8.061 -0.015 19881 2737 1 11 . 1 1 28 28 ILE N N 28 121.108 121.108 115.159 5.949 19881 2738 1 11 . 1 1 28 28 ILE HA H 28 4.090 4.090 4.465 -0.375 19881 2739 1 11 . 1 1 28 28 ILE C C 28 176.733 176.733 177.143 -0.410 19881 2740 1 11 . 1 1 28 28 ILE CA C 28 62.883 62.883 63.216 -0.333 19881 2741 1 11 . 1 1 28 28 ILE CB C 28 38.348 38.348 38.136 0.211 19881 2742 1 11 . 1 1 28 28 ILE H H 28 7.847 7.847 8.709 -0.862 19881 2743 1 11 . 1 1 29 29 GLY N N 29 109.304 109.304 108.896 0.408 19881 2744 1 11 . 1 1 29 29 GLY C C 29 174.534 174.534 175.969 -1.435 19881 2745 1 11 . 1 1 29 29 GLY CA C 29 46.278 46.278 47.785 -1.507 19881 2746 1 11 . 1 1 29 29 GLY H H 29 8.329 8.329 8.166 0.163 19881 2747 1 11 . 1 1 30 30 SER N N 30 115.814 115.814 116.520 -0.706 19881 2748 1 11 . 1 1 30 30 SER HA H 30 4.301 4.301 4.122 0.179 19881 2749 1 11 . 1 1 30 30 SER C C 30 175.445 175.445 176.540 -1.095 19881 2750 1 11 . 1 1 30 30 SER CA C 30 60.378 60.378 61.731 -1.353 19881 2751 1 11 . 1 1 30 30 SER CB C 30 63.575 63.575 62.968 0.607 19881 2752 1 11 . 1 1 30 30 SER H H 30 8.026 8.026 8.159 -0.133 19881 2753 1 11 . 1 1 31 31 ASP N N 31 122.351 122.351 123.251 -0.900 19881 2754 1 11 . 1 1 31 31 ASP HA H 31 4.648 4.648 4.580 0.068 19881 2755 1 11 . 1 1 31 31 ASP C C 31 177.501 177.501 178.383 -0.882 19881 2756 1 11 . 1 1 31 31 ASP CA C 31 55.138 55.138 56.404 -1.266 19881 2757 1 11 . 1 1 31 31 ASP CB C 31 40.847 40.847 40.571 0.276 19881 2758 1 11 . 1 1 31 31 ASP H H 31 8.261 8.261 7.648 0.613 19881 2759 1 11 . 1 1 32 32 LEU N N 32 123.303 123.303 120.865 2.438 19881 2760 1 11 . 1 1 32 32 LEU HA H 32 4.146 4.146 4.093 0.053 19881 2761 1 11 . 1 1 32 32 LEU C C 32 178.653 178.653 179.241 -0.588 19881 2762 1 11 . 1 1 32 32 LEU CA C 32 57.539 57.539 57.983 -0.444 19881 2763 1 11 . 1 1 32 32 LEU CB C 32 42.175 42.175 41.515 0.660 19881 2764 1 11 . 1 1 32 32 LEU H H 32 8.400 8.400 8.145 0.255 19881 2765 1 11 . 1 1 33 33 GLY N N 33 107.221 107.221 106.594 0.627 19881 2766 1 11 . 1 1 33 33 GLY C C 33 175.646 175.646 175.509 0.137 19881 2767 1 11 . 1 1 33 33 GLY CA C 33 47.342 47.342 47.265 0.077 19881 2768 1 11 . 1 1 33 33 GLY H H 33 8.582 8.582 8.817 -0.235 19881 2769 1 11 . 1 1 34 34 ALA N N 34 123.643 123.643 123.767 -0.124 19881 2770 1 11 . 1 1 34 34 ALA HA H 34 4.165 4.165 4.246 -0.081 19881 2771 1 11 . 1 1 34 34 ALA C C 34 180.302 180.302 179.842 0.460 19881 2772 1 11 . 1 1 34 34 ALA CA C 34 54.422 54.422 54.710 -0.288 19881 2773 1 11 . 1 1 34 34 ALA CB C 34 18.645 18.645 18.511 0.134 19881 2774 1 11 . 1 1 34 34 ALA H H 34 8.012 8.012 7.719 0.293 19881 2775 1 11 . 1 1 35 35 SER N N 35 115.942 115.942 115.758 0.184 19881 2776 1 11 . 1 1 35 35 SER HA H 35 4.342 4.342 4.217 0.125 19881 2777 1 11 . 1 1 35 35 SER C C 35 176.430 176.430 176.891 -0.461 19881 2778 1 11 . 1 1 35 35 SER CA C 35 61.552 61.552 62.260 -0.708 19881 2779 1 11 . 1 1 35 35 SER CB C 35 63.404 63.404 63.130 0.274 19881 2780 1 11 . 1 1 35 35 SER H H 35 8.021 8.021 8.384 -0.363 19881 2781 1 11 . 1 1 36 36 ILE N N 36 121.829 121.829 122.246 -0.417 19881 2782 1 11 . 1 1 36 36 ILE HA H 36 3.855 3.855 3.920 -0.065 19881 2783 1 11 . 1 1 36 36 ILE C C 36 177.310 177.310 177.292 0.018 19881 2784 1 11 . 1 1 36 36 ILE CA C 36 64.467 64.467 63.264 1.203 19881 2785 1 11 . 1 1 36 36 ILE CB C 36 37.790 37.790 37.635 0.155 19881 2786 1 11 . 1 1 36 36 ILE H H 36 8.170 8.170 8.453 -0.283 19881 2787 1 11 . 1 1 37 37 LYS N N 37 120.804 120.804 120.902 -0.098 19881 2788 1 11 . 1 1 37 37 LYS HA H 37 3.998 3.998 3.978 0.020 19881 2789 1 11 . 1 1 37 37 LYS C C 37 178.932 178.932 179.347 -0.415 19881 2790 1 11 . 1 1 37 37 LYS CA C 37 59.665 59.665 60.429 -0.764 19881 2791 1 11 . 1 1 37 37 LYS CB C 37 32.400 32.400 32.165 0.235 19881 2792 1 11 . 1 1 37 37 LYS H H 37 8.039 8.039 7.956 0.083 19881 2793 1 11 . 1 1 38 38 GLY N N 38 107.479 107.479 106.360 1.119 19881 2794 1 11 . 1 1 38 38 GLY C C 38 176.690 176.690 176.085 0.605 19881 2795 1 11 . 1 1 38 38 GLY CA C 38 46.426 46.426 46.974 -0.548 19881 2796 1 11 . 1 1 38 38 GLY H H 38 8.145 8.145 8.255 -0.110 19881 2797 1 11 . 1 1 39 39 PHE N N 39 122.726 122.726 123.465 -0.739 19881 2798 1 11 . 1 1 39 39 PHE HA H 39 4.389 4.389 4.294 0.095 19881 2799 1 11 . 1 1 39 39 PHE C C 39 176.506 176.506 176.718 -0.212 19881 2800 1 11 . 1 1 39 39 PHE CA C 39 60.235 60.235 60.522 -0.286 19881 2801 1 11 . 1 1 39 39 PHE CB C 39 39.354 39.354 39.552 -0.198 19881 2802 1 11 . 1 1 39 39 PHE H H 39 8.078 8.078 7.930 0.148 19881 2803 1 11 . 1 1 40 40 LYS N N 40 119.668 119.668 119.222 0.446 19881 2804 1 11 . 1 1 40 40 LYS HA H 40 3.925 3.925 3.723 0.202 19881 2805 1 11 . 1 1 40 40 LYS C C 40 178.275 178.275 178.685 -0.410 19881 2806 1 11 . 1 1 40 40 LYS CA C 40 58.940 58.940 59.391 -0.451 19881 2807 1 11 . 1 1 40 40 LYS CB C 40 32.523 32.523 32.110 0.413 19881 2808 1 11 . 1 1 40 40 LYS H H 40 8.192 8.192 9.002 -0.810 19881 2809 1 11 . 1 1 41 41 LYS N N 41 120.878 120.878 119.806 1.072 19881 2810 1 11 . 1 1 41 41 LYS HA H 41 4.109 4.109 3.995 0.114 19881 2811 1 11 . 1 1 41 41 LYS C C 41 177.740 177.740 178.632 -0.892 19881 2812 1 11 . 1 1 41 41 LYS CA C 41 58.105 58.105 59.112 -1.007 19881 2813 1 11 . 1 1 41 41 LYS CB C 41 32.516 32.516 32.373 0.143 19881 2814 1 11 . 1 1 41 41 LYS H H 41 7.997 7.997 8.170 -0.173 19881 2815 1 11 . 1 1 42 42 ALA N N 42 122.719 122.719 120.859 1.860 19881 2816 1 11 . 1 1 42 42 ALA HA H 42 4.213 4.213 4.055 0.158 19881 2817 1 11 . 1 1 42 42 ALA C C 42 178.450 178.450 179.074 -0.624 19881 2818 1 11 . 1 1 42 42 ALA CA C 42 53.586 53.586 54.503 -0.917 19881 2819 1 11 . 1 1 42 42 ALA CB C 42 18.919 18.919 18.637 0.281 19881 2820 1 11 . 1 1 42 42 ALA H H 42 7.900 7.900 7.443 0.457 19881 2821 1 11 . 1 1 43 43 MET N N 43 115.999 115.999 115.706 0.293 19881 2822 1 11 . 1 1 43 43 MET HA H 43 4.415 4.415 4.261 0.154 19881 2823 1 11 . 1 1 43 43 MET C C 43 176.270 176.270 177.830 -1.560 19881 2824 1 11 . 1 1 43 43 MET CA C 43 55.488 55.488 56.471 -0.983 19881 2825 1 11 . 1 1 43 43 MET CB C 43 33.279 33.279 32.794 0.485 19881 2826 1 11 . 1 1 43 43 MET H H 43 7.757 7.757 7.545 0.212 19881 2827 1 11 . 1 1 44 44 SER N N 44 115.396 115.396 115.450 -0.054 19881 2828 1 11 . 1 1 44 44 SER HA H 44 4.463 4.463 4.196 0.267 19881 2829 1 11 . 1 1 44 44 SER C C 44 173.950 173.950 175.237 -1.287 19881 2830 1 11 . 1 1 44 44 SER CA C 44 58.536 58.536 59.832 -1.296 19881 2831 1 11 . 1 1 44 44 SER CB C 44 64.380 64.380 63.605 0.775 19881 2832 1 11 . 1 1 44 44 SER H H 44 7.821 7.821 7.793 0.028 19881 2833 1 11 . 1 1 45 45 ASP N N 45 123.208 123.208 121.609 1.599 19881 2834 1 11 . 1 1 45 45 ASP HA H 45 4.576 4.576 4.327 0.249 19881 2835 1 11 . 1 1 45 45 ASP C C 45 175.990 175.990 175.825 0.165 19881 2836 1 11 . 1 1 45 45 ASP CA C 45 54.264 54.264 54.886 -0.622 19881 2837 1 11 . 1 1 45 45 ASP CB C 45 41.410 41.410 40.246 1.164 19881 2838 1 11 . 1 1 45 45 ASP H H 45 8.293 8.293 7.837 0.456 19881 2839 1 11 . 1 1 46 46 ASP N N 46 121.430 121.430 124.311 -2.881 19881 2840 1 11 . 1 1 46 46 ASP HA H 46 4.542 4.542 4.499 0.043 19881 2841 1 11 . 1 1 46 46 ASP C C 46 176.060 176.060 175.697 0.363 19881 2842 1 11 . 1 1 46 46 ASP CA C 46 54.250 54.250 53.788 0.462 19881 2843 1 11 . 1 1 46 46 ASP CB C 46 41.500 41.500 39.998 1.502 19881 2844 1 11 . 1 1 46 46 ASP H H 46 8.239 8.239 8.572 -0.333 19881 2845 1 11 . 1 1 47 47 GLU N N 47 123.031 123.031 118.799 4.232 19881 2846 1 11 . 1 1 47 47 GLU HA H 47 4.528 4.528 4.034 0.494 19881 2847 1 11 . 1 1 47 47 GLU CA C 47 54.651 54.651 57.027 -2.376 19881 2848 1 11 . 1 1 47 47 GLU CB C 47 29.910 29.910 28.320 1.589 19881 2849 1 11 . 1 1 47 47 GLU H H 47 8.163 8.163 8.177 -0.014 19881 2850 1 12 . 1 1 2 2 GLY N N 2 109.485 109.485 108.548 0.937 19881 2851 1 12 . 1 1 2 2 GLY C C 2 174.370 174.370 174.040 0.330 19881 2852 1 12 . 1 1 2 2 GLY CA C 2 46.411 46.411 45.822 0.590 19881 2853 1 12 . 1 1 2 2 GLY H H 2 8.713 8.713 8.603 0.110 19881 2854 1 12 . 1 1 3 3 GLY N N 3 108.308 108.308 107.843 0.465 19881 2855 1 12 . 1 1 3 3 GLY C C 3 173.840 173.840 174.818 -0.978 19881 2856 1 12 . 1 1 3 3 GLY CA C 3 45.276 45.276 44.508 0.768 19881 2857 1 12 . 1 1 3 3 GLY H H 3 8.326 8.326 7.925 0.401 19881 2858 1 12 . 1 1 4 4 ILE N N 4 120.682 120.682 119.490 1.192 19881 2859 1 12 . 1 1 4 4 ILE HA H 4 4.330 4.330 4.038 0.292 19881 2860 1 12 . 1 1 4 4 ILE CA C 4 60.610 60.610 63.132 -2.522 19881 2861 1 12 . 1 1 4 4 ILE CB C 4 39.100 39.100 38.430 0.670 19881 2862 1 12 . 1 1 4 4 ILE H H 4 7.605 7.605 8.108 -0.503 19881 2863 1 12 . 1 1 5 5 SER N N 5 121.157 121.157 110.800 10.357 19881 2864 1 12 . 1 1 5 5 SER HA H 5 4.676 4.676 4.556 0.120 19881 2865 1 12 . 1 1 5 5 SER C C 5 175.720 175.720 174.220 1.500 19881 2866 1 12 . 1 1 5 5 SER CA C 5 57.000 57.000 57.533 -0.533 19881 2867 1 12 . 1 1 5 5 SER CB C 5 65.760 65.760 64.284 1.476 19881 2868 1 12 . 1 1 5 5 SER H H 5 8.167 8.167 7.445 0.722 19881 2869 1 12 . 1 1 6 6 ILE N N 6 123.227 123.227 123.704 -0.477 19881 2870 1 12 . 1 1 6 6 ILE HA H 6 3.771 3.771 3.847 -0.076 19881 2871 1 12 . 1 1 6 6 ILE C C 6 176.660 176.660 177.197 -0.537 19881 2872 1 12 . 1 1 6 6 ILE CA C 6 63.890 63.890 64.570 -0.680 19881 2873 1 12 . 1 1 6 6 ILE CB C 6 37.173 37.173 37.759 -0.586 19881 2874 1 12 . 1 1 6 6 ILE H H 6 9.080 9.080 8.721 0.359 19881 2875 1 12 . 1 1 7 7 TRP N N 7 119.286 119.286 120.106 -0.820 19881 2876 1 12 . 1 1 7 7 TRP HA H 7 4.365 4.365 4.313 0.052 19881 2877 1 12 . 1 1 7 7 TRP C C 7 177.800 177.800 178.650 -0.850 19881 2878 1 12 . 1 1 7 7 TRP CA C 7 59.411 59.411 60.912 -1.501 19881 2879 1 12 . 1 1 7 7 TRP CB C 7 29.263 29.263 28.646 0.617 19881 2880 1 12 . 1 1 7 7 TRP H H 7 7.536 7.536 8.093 -0.557 19881 2881 1 12 . 1 1 8 8 GLN N N 8 117.821 117.821 117.517 0.304 19881 2882 1 12 . 1 1 8 8 GLN HA H 8 3.732 3.732 4.173 -0.441 19881 2883 1 12 . 1 1 8 8 GLN C C 8 177.765 177.765 178.470 -0.705 19881 2884 1 12 . 1 1 8 8 GLN CA C 8 59.367 59.367 59.216 0.151 19881 2885 1 12 . 1 1 8 8 GLN CB C 8 28.094 28.094 27.726 0.368 19881 2886 1 12 . 1 1 8 8 GLN H H 8 7.132 7.132 8.621 -1.489 19881 2887 1 12 . 1 1 9 9 LEU N N 9 118.175 118.175 120.751 -2.576 19881 2888 1 12 . 1 1 9 9 LEU HA H 9 3.916 3.916 4.215 -0.299 19881 2889 1 12 . 1 1 9 9 LEU C C 9 178.096 178.096 178.338 -0.242 19881 2890 1 12 . 1 1 9 9 LEU CA C 9 58.057 58.057 58.284 -0.227 19881 2891 1 12 . 1 1 9 9 LEU CB C 9 41.803 41.803 41.347 0.456 19881 2892 1 12 . 1 1 9 9 LEU H H 9 7.680 7.680 8.311 -0.631 19881 2893 1 12 . 1 1 10 10 LEU N N 10 118.370 118.370 121.010 -2.640 19881 2894 1 12 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.866 0.088 19881 2895 1 12 . 1 1 10 10 LEU C C 10 177.930 177.930 179.286 -1.356 19881 2896 1 12 . 1 1 10 10 LEU CA C 10 58.215 58.215 58.340 -0.125 19881 2897 1 12 . 1 1 10 10 LEU CB C 10 41.770 41.770 41.589 0.181 19881 2898 1 12 . 1 1 10 10 LEU H H 10 8.182 8.182 8.329 -0.147 19881 2899 1 12 . 1 1 11 11 ILE N N 11 117.907 117.907 119.481 -1.574 19881 2900 1 12 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.702 -0.086 19881 2901 1 12 . 1 1 11 11 ILE C C 11 177.370 177.370 178.003 -0.633 19881 2902 1 12 . 1 1 11 11 ILE CA C 11 65.245 65.245 66.084 -0.839 19881 2903 1 12 . 1 1 11 11 ILE CB C 11 37.290 37.290 38.067 -0.777 19881 2904 1 12 . 1 1 11 11 ILE H H 11 7.676 7.676 8.028 -0.352 19881 2905 1 12 . 1 1 12 12 ILE N N 12 118.851 118.851 120.334 -1.483 19881 2906 1 12 . 1 1 12 12 ILE HA H 12 3.525 3.525 3.608 -0.083 19881 2907 1 12 . 1 1 12 12 ILE C C 12 176.908 176.908 177.757 -0.849 19881 2908 1 12 . 1 1 12 12 ILE CA C 12 65.463 65.463 65.689 -0.226 19881 2909 1 12 . 1 1 12 12 ILE CB C 12 37.450 37.450 37.674 -0.224 19881 2910 1 12 . 1 1 12 12 ILE H H 12 7.756 7.756 7.860 -0.104 19881 2911 1 12 . 1 1 13 13 ALA N N 13 121.114 121.114 122.483 -1.369 19881 2912 1 12 . 1 1 13 13 ALA HA H 13 3.822 3.822 4.093 -0.271 19881 2913 1 12 . 1 1 13 13 ALA C C 13 178.605 178.605 179.755 -1.150 19881 2914 1 12 . 1 1 13 13 ALA CA C 13 55.753 55.753 55.401 0.352 19881 2915 1 12 . 1 1 13 13 ALA CB C 13 17.799 17.799 18.112 -0.313 19881 2916 1 12 . 1 1 13 13 ALA H H 13 8.367 8.367 8.674 -0.307 19881 2917 1 12 . 1 1 14 14 VAL N N 14 116.560 116.560 119.745 -3.185 19881 2918 1 12 . 1 1 14 14 VAL HA H 14 3.418 3.418 3.626 -0.208 19881 2919 1 12 . 1 1 14 14 VAL C C 14 177.236 177.236 178.103 -0.867 19881 2920 1 12 . 1 1 14 14 VAL CA C 14 67.304 67.304 66.663 0.641 19881 2921 1 12 . 1 1 14 14 VAL CB C 14 31.360 31.360 31.832 -0.472 19881 2922 1 12 . 1 1 14 14 VAL H H 14 8.164 8.164 7.886 0.278 19881 2923 1 12 . 1 1 15 15 ILE N N 15 119.573 119.573 119.841 -0.268 19881 2924 1 12 . 1 1 15 15 ILE HA H 15 3.517 3.517 3.774 -0.257 19881 2925 1 12 . 1 1 15 15 ILE C C 15 177.490 177.490 178.346 -0.856 19881 2926 1 12 . 1 1 15 15 ILE CA C 15 65.828 65.828 64.590 1.238 19881 2927 1 12 . 1 1 15 15 ILE CB C 15 37.364 37.364 36.871 0.493 19881 2928 1 12 . 1 1 15 15 ILE H H 15 8.045 8.045 8.008 0.037 19881 2929 1 12 . 1 1 16 16 VAL N N 16 118.777 118.777 120.343 -1.566 19881 2930 1 12 . 1 1 16 16 VAL HA H 16 3.597 3.597 3.746 -0.149 19881 2931 1 12 . 1 1 16 16 VAL C C 16 177.993 177.993 177.957 0.036 19881 2932 1 12 . 1 1 16 16 VAL CA C 16 67.680 67.680 67.083 0.597 19881 2933 1 12 . 1 1 16 16 VAL CB C 16 31.240 31.240 31.989 -0.750 19881 2934 1 12 . 1 1 16 16 VAL H H 16 8.481 8.481 8.450 0.031 19881 2935 1 12 . 1 1 17 17 VAL N N 17 120.072 120.072 120.041 0.031 19881 2936 1 12 . 1 1 17 17 VAL HA H 17 3.602 3.602 3.756 -0.154 19881 2937 1 12 . 1 1 17 17 VAL C C 17 178.199 178.199 177.939 0.260 19881 2938 1 12 . 1 1 17 17 VAL CA C 17 67.426 67.426 67.210 0.216 19881 2939 1 12 . 1 1 17 17 VAL CB C 17 31.187 31.187 31.707 -0.520 19881 2940 1 12 . 1 1 17 17 VAL H H 17 8.329 8.329 7.752 0.577 19881 2941 1 12 . 1 1 18 18 LEU N N 18 120.167 120.167 119.181 0.986 19881 2942 1 12 . 1 1 18 18 LEU HA H 18 4.012 4.012 3.969 0.043 19881 2943 1 12 . 1 1 18 18 LEU C C 18 178.985 178.985 179.200 -0.215 19881 2944 1 12 . 1 1 18 18 LEU CA C 18 58.130 58.130 57.772 0.358 19881 2945 1 12 . 1 1 18 18 LEU CB C 18 42.045 42.045 41.432 0.613 19881 2946 1 12 . 1 1 18 18 LEU H H 18 8.413 8.413 7.574 0.839 19881 2947 1 12 . 1 1 19 19 LEU N N 19 118.603 118.603 117.087 1.516 19881 2948 1 12 . 1 1 19 19 LEU HA H 19 3.984 3.984 4.049 -0.065 19881 2949 1 12 . 1 1 19 19 LEU C C 19 178.510 178.510 178.941 -0.431 19881 2950 1 12 . 1 1 19 19 LEU CA C 19 57.831 57.831 57.552 0.279 19881 2951 1 12 . 1 1 19 19 LEU CB C 19 42.406 42.406 41.323 1.083 19881 2952 1 12 . 1 1 19 19 LEU H H 19 8.420 8.420 7.704 0.716 19881 2953 1 12 . 1 1 20 20 PHE N N 20 116.154 116.154 118.775 -2.621 19881 2954 1 12 . 1 1 20 20 PHE HA H 20 4.508 4.508 4.305 0.203 19881 2955 1 12 . 1 1 20 20 PHE C C 20 178.062 178.062 177.354 0.708 19881 2956 1 12 . 1 1 20 20 PHE CA C 20 60.202 60.202 60.170 0.031 19881 2957 1 12 . 1 1 20 20 PHE CB C 20 40.126 40.126 39.650 0.476 19881 2958 1 12 . 1 1 20 20 PHE H H 20 8.451 8.451 8.335 0.116 19881 2959 1 12 . 1 1 21 21 GLY N N 21 108.705 108.705 105.806 2.899 19881 2960 1 12 . 1 1 21 21 GLY C C 21 173.997 173.997 174.572 -0.575 19881 2961 1 12 . 1 1 21 21 GLY CA C 21 46.189 46.189 45.601 0.588 19881 2962 1 12 . 1 1 21 21 GLY H H 21 8.754 8.754 8.003 0.751 19881 2963 1 12 . 1 1 22 22 THR N N 22 111.556 111.556 109.239 2.317 19881 2964 1 12 . 1 1 22 22 THR HA H 22 4.080 4.080 3.897 0.183 19881 2965 1 12 . 1 1 22 22 THR CA C 22 64.722 64.722 63.724 0.998 19881 2966 1 12 . 1 1 22 22 THR CB C 22 69.150 69.150 67.651 1.499 19881 2967 1 12 . 1 1 22 22 THR H H 22 8.190 8.190 7.912 0.278 19881 2968 1 12 . 1 1 23 23 LYS N N 23 121.733 121.733 118.693 3.040 19881 2969 1 12 . 1 1 23 23 LYS HA H 23 4.175 4.175 4.139 0.036 19881 2970 1 12 . 1 1 23 23 LYS C C 23 178.622 178.622 178.045 0.577 19881 2971 1 12 . 1 1 23 23 LYS CA C 23 58.378 58.378 58.570 -0.192 19881 2972 1 12 . 1 1 23 23 LYS CB C 23 31.639 31.639 32.417 -0.778 19881 2973 1 12 . 1 1 23 23 LYS H H 23 8.165 8.165 7.636 0.529 19881 2974 1 12 . 1 1 24 24 LYS N N 24 118.854 118.854 119.674 -0.820 19881 2975 1 12 . 1 1 24 24 LYS HA H 24 4.246 4.246 4.104 0.142 19881 2976 1 12 . 1 1 24 24 LYS C C 24 177.705 177.705 178.366 -0.661 19881 2977 1 12 . 1 1 24 24 LYS CA C 24 57.026 57.026 58.667 -1.641 19881 2978 1 12 . 1 1 24 24 LYS CB C 24 32.471 32.471 31.793 0.678 19881 2979 1 12 . 1 1 24 24 LYS H H 24 8.144 8.144 8.297 -0.153 19881 2980 1 12 . 1 1 25 25 LEU N N 25 118.583 118.583 118.835 -0.252 19881 2981 1 12 . 1 1 25 25 LEU HA H 25 4.148 4.148 3.970 0.178 19881 2982 1 12 . 1 1 25 25 LEU C C 25 177.815 177.815 179.007 -1.192 19881 2983 1 12 . 1 1 25 25 LEU CA C 25 56.511 56.511 58.319 -1.808 19881 2984 1 12 . 1 1 25 25 LEU CB C 25 41.955 41.955 41.388 0.567 19881 2985 1 12 . 1 1 25 25 LEU H H 25 7.820 7.820 8.007 -0.187 19881 2986 1 12 . 1 1 26 26 GLY N N 26 106.160 106.160 103.970 2.190 19881 2987 1 12 . 1 1 26 26 GLY C C 26 175.013 175.013 175.590 -0.577 19881 2988 1 12 . 1 1 26 26 GLY CA C 26 46.414 46.414 46.714 -0.299 19881 2989 1 12 . 1 1 26 26 GLY H H 26 8.146 8.146 7.878 0.268 19881 2990 1 12 . 1 1 27 27 SER N N 27 116.361 116.361 115.593 0.768 19881 2991 1 12 . 1 1 27 27 SER HA H 27 4.441 4.441 4.581 -0.140 19881 2992 1 12 . 1 1 27 27 SER C C 27 175.407 175.407 175.496 -0.089 19881 2993 1 12 . 1 1 27 27 SER CA C 27 59.665 59.665 60.299 -0.634 19881 2994 1 12 . 1 1 27 27 SER CB C 27 63.672 63.672 64.836 -1.164 19881 2995 1 12 . 1 1 27 27 SER H H 27 8.046 8.046 7.639 0.407 19881 2996 1 12 . 1 1 28 28 ILE N N 28 121.108 121.108 121.797 -0.689 19881 2997 1 12 . 1 1 28 28 ILE HA H 28 4.090 4.090 4.116 -0.026 19881 2998 1 12 . 1 1 28 28 ILE C C 28 176.733 176.733 176.601 0.132 19881 2999 1 12 . 1 1 28 28 ILE CA C 28 62.883 62.883 63.157 -0.274 19881 3000 1 12 . 1 1 28 28 ILE CB C 28 38.348 38.348 38.229 0.119 19881 3001 1 12 . 1 1 28 28 ILE H H 28 7.847 7.847 9.071 -1.224 19881 3002 1 12 . 1 1 29 29 GLY N N 29 109.304 109.304 108.728 0.576 19881 3003 1 12 . 1 1 29 29 GLY C C 29 174.534 174.534 176.573 -2.039 19881 3004 1 12 . 1 1 29 29 GLY CA C 29 46.278 46.278 47.750 -1.472 19881 3005 1 12 . 1 1 29 29 GLY H H 29 8.329 8.329 8.221 0.108 19881 3006 1 12 . 1 1 30 30 SER N N 30 115.814 115.814 116.417 -0.603 19881 3007 1 12 . 1 1 30 30 SER HA H 30 4.301 4.301 4.245 0.056 19881 3008 1 12 . 1 1 30 30 SER C C 30 175.445 175.445 176.468 -1.023 19881 3009 1 12 . 1 1 30 30 SER CA C 30 60.378 60.378 61.784 -1.406 19881 3010 1 12 . 1 1 30 30 SER CB C 30 63.575 63.575 62.737 0.838 19881 3011 1 12 . 1 1 30 30 SER H H 30 8.026 8.026 8.201 -0.175 19881 3012 1 12 . 1 1 31 31 ASP N N 31 122.351 122.351 122.871 -0.520 19881 3013 1 12 . 1 1 31 31 ASP HA H 31 4.648 4.648 4.496 0.152 19881 3014 1 12 . 1 1 31 31 ASP C C 31 177.501 177.501 178.768 -1.267 19881 3015 1 12 . 1 1 31 31 ASP CA C 31 55.138 55.138 56.974 -1.836 19881 3016 1 12 . 1 1 31 31 ASP CB C 31 40.847 40.847 40.628 0.219 19881 3017 1 12 . 1 1 31 31 ASP H H 31 8.261 8.261 7.483 0.778 19881 3018 1 12 . 1 1 32 32 LEU N N 32 123.303 123.303 120.683 2.620 19881 3019 1 12 . 1 1 32 32 LEU HA H 32 4.146 4.146 4.092 0.054 19881 3020 1 12 . 1 1 32 32 LEU C C 32 178.653 178.653 179.217 -0.564 19881 3021 1 12 . 1 1 32 32 LEU CA C 32 57.539 57.539 58.105 -0.566 19881 3022 1 12 . 1 1 32 32 LEU CB C 32 42.175 42.175 41.514 0.661 19881 3023 1 12 . 1 1 32 32 LEU H H 32 8.400 8.400 8.924 -0.524 19881 3024 1 12 . 1 1 33 33 GLY N N 33 107.221 107.221 106.554 0.667 19881 3025 1 12 . 1 1 33 33 GLY C C 33 175.646 175.646 175.439 0.207 19881 3026 1 12 . 1 1 33 33 GLY CA C 33 47.342 47.342 47.292 0.050 19881 3027 1 12 . 1 1 33 33 GLY H H 33 8.582 8.582 8.753 -0.171 19881 3028 1 12 . 1 1 34 34 ALA N N 34 123.643 123.643 123.531 0.112 19881 3029 1 12 . 1 1 34 34 ALA HA H 34 4.165 4.165 4.177 -0.012 19881 3030 1 12 . 1 1 34 34 ALA C C 34 180.302 180.302 179.531 0.771 19881 3031 1 12 . 1 1 34 34 ALA CA C 34 54.422 54.422 54.731 -0.309 19881 3032 1 12 . 1 1 34 34 ALA CB C 34 18.645 18.645 18.292 0.353 19881 3033 1 12 . 1 1 34 34 ALA H H 34 8.012 8.012 7.658 0.354 19881 3034 1 12 . 1 1 35 35 SER N N 35 115.942 115.942 114.991 0.951 19881 3035 1 12 . 1 1 35 35 SER HA H 35 4.342 4.342 4.225 0.117 19881 3036 1 12 . 1 1 35 35 SER C C 35 176.430 176.430 176.923 -0.493 19881 3037 1 12 . 1 1 35 35 SER CA C 35 61.552 61.552 61.766 -0.214 19881 3038 1 12 . 1 1 35 35 SER CB C 35 63.404 63.404 63.282 0.122 19881 3039 1 12 . 1 1 35 35 SER H H 35 8.021 8.021 8.209 -0.188 19881 3040 1 12 . 1 1 36 36 ILE N N 36 121.829 121.829 122.124 -0.295 19881 3041 1 12 . 1 1 36 36 ILE HA H 36 3.855 3.855 3.893 -0.038 19881 3042 1 12 . 1 1 36 36 ILE C C 36 177.310 177.310 177.086 0.224 19881 3043 1 12 . 1 1 36 36 ILE CA C 36 64.467 64.467 63.275 1.192 19881 3044 1 12 . 1 1 36 36 ILE CB C 36 37.790 37.790 37.679 0.111 19881 3045 1 12 . 1 1 36 36 ILE H H 36 8.170 8.170 8.336 -0.166 19881 3046 1 12 . 1 1 37 37 LYS N N 37 120.804 120.804 121.296 -0.492 19881 3047 1 12 . 1 1 37 37 LYS HA H 37 3.998 3.998 4.029 -0.031 19881 3048 1 12 . 1 1 37 37 LYS C C 37 178.932 178.932 179.187 -0.255 19881 3049 1 12 . 1 1 37 37 LYS CA C 37 59.665 59.665 60.153 -0.488 19881 3050 1 12 . 1 1 37 37 LYS CB C 37 32.400 32.400 31.764 0.636 19881 3051 1 12 . 1 1 37 37 LYS H H 37 8.039 8.039 8.085 -0.046 19881 3052 1 12 . 1 1 38 38 GLY N N 38 107.479 107.479 107.478 0.001 19881 3053 1 12 . 1 1 38 38 GLY C C 38 176.690 176.690 176.203 0.487 19881 3054 1 12 . 1 1 38 38 GLY CA C 38 46.426 46.426 46.908 -0.482 19881 3055 1 12 . 1 1 38 38 GLY H H 38 8.145 8.145 8.236 -0.091 19881 3056 1 12 . 1 1 39 39 PHE N N 39 122.726 122.726 123.041 -0.315 19881 3057 1 12 . 1 1 39 39 PHE HA H 39 4.389 4.389 4.331 0.058 19881 3058 1 12 . 1 1 39 39 PHE C C 39 176.506 176.506 177.211 -0.705 19881 3059 1 12 . 1 1 39 39 PHE CA C 39 60.235 60.235 60.661 -0.426 19881 3060 1 12 . 1 1 39 39 PHE CB C 39 39.354 39.354 39.398 -0.044 19881 3061 1 12 . 1 1 39 39 PHE H H 39 8.078 8.078 8.031 0.047 19881 3062 1 12 . 1 1 40 40 LYS N N 40 119.668 119.668 118.969 0.699 19881 3063 1 12 . 1 1 40 40 LYS HA H 40 3.925 3.925 3.893 0.032 19881 3064 1 12 . 1 1 40 40 LYS C C 40 178.275 178.275 179.047 -0.772 19881 3065 1 12 . 1 1 40 40 LYS CA C 40 58.940 58.940 58.695 0.245 19881 3066 1 12 . 1 1 40 40 LYS CB C 40 32.523 32.523 31.955 0.568 19881 3067 1 12 . 1 1 40 40 LYS H H 40 8.192 8.192 8.925 -0.733 19881 3068 1 12 . 1 1 41 41 LYS N N 41 120.878 120.878 119.653 1.225 19881 3069 1 12 . 1 1 41 41 LYS HA H 41 4.109 4.109 4.055 0.054 19881 3070 1 12 . 1 1 41 41 LYS C C 41 177.740 177.740 178.456 -0.716 19881 3071 1 12 . 1 1 41 41 LYS CA C 41 58.105 58.105 58.909 -0.804 19881 3072 1 12 . 1 1 41 41 LYS CB C 41 32.516 32.516 32.400 0.116 19881 3073 1 12 . 1 1 41 41 LYS H H 41 7.997 7.997 8.167 -0.170 19881 3074 1 12 . 1 1 42 42 ALA N N 42 122.719 122.719 120.665 2.054 19881 3075 1 12 . 1 1 42 42 ALA HA H 42 4.213 4.213 4.079 0.134 19881 3076 1 12 . 1 1 42 42 ALA C C 42 178.450 178.450 178.911 -0.461 19881 3077 1 12 . 1 1 42 42 ALA CA C 42 53.586 53.586 54.334 -0.748 19881 3078 1 12 . 1 1 42 42 ALA CB C 42 18.919 18.919 18.953 -0.034 19881 3079 1 12 . 1 1 42 42 ALA H H 42 7.900 7.900 7.619 0.281 19881 3080 1 12 . 1 1 43 43 MET N N 43 115.999 115.999 116.156 -0.157 19881 3081 1 12 . 1 1 43 43 MET HA H 43 4.415 4.415 4.425 -0.010 19881 3082 1 12 . 1 1 43 43 MET C C 43 176.270 176.270 177.299 -1.029 19881 3083 1 12 . 1 1 43 43 MET CA C 43 55.488 55.488 55.459 0.029 19881 3084 1 12 . 1 1 43 43 MET CB C 43 33.279 33.279 33.278 0.001 19881 3085 1 12 . 1 1 43 43 MET H H 43 7.757 7.757 7.665 0.092 19881 3086 1 12 . 1 1 44 44 SER N N 44 115.396 115.396 115.228 0.168 19881 3087 1 12 . 1 1 44 44 SER HA H 44 4.463 4.463 4.036 0.427 19881 3088 1 12 . 1 1 44 44 SER C C 44 173.950 173.950 173.674 0.276 19881 3089 1 12 . 1 1 44 44 SER CA C 44 58.536 58.536 60.261 -1.725 19881 3090 1 12 . 1 1 44 44 SER CB C 44 64.380 64.380 63.453 0.927 19881 3091 1 12 . 1 1 44 44 SER H H 44 7.821 7.821 7.953 -0.132 19881 3092 1 12 . 1 1 45 45 ASP N N 45 123.208 123.208 116.734 6.474 19881 3093 1 12 . 1 1 45 45 ASP HA H 45 4.576 4.576 4.344 0.232 19881 3094 1 12 . 1 1 45 45 ASP C C 45 175.990 175.990 175.274 0.716 19881 3095 1 12 . 1 1 45 45 ASP CA C 45 54.264 54.264 55.486 -1.222 19881 3096 1 12 . 1 1 45 45 ASP CB C 45 41.410 41.410 39.924 1.486 19881 3097 1 12 . 1 1 45 45 ASP H H 45 8.293 8.293 8.471 -0.178 19881 3098 1 12 . 1 1 46 46 ASP N N 46 121.430 121.430 119.045 2.385 19881 3099 1 12 . 1 1 46 46 ASP HA H 46 4.542 4.542 4.634 -0.092 19881 3100 1 12 . 1 1 46 46 ASP C C 46 176.060 176.060 175.776 0.284 19881 3101 1 12 . 1 1 46 46 ASP CA C 46 54.250 54.250 54.583 -0.333 19881 3102 1 12 . 1 1 46 46 ASP CB C 46 41.500 41.500 41.126 0.374 19881 3103 1 12 . 1 1 46 46 ASP H H 46 8.239 8.239 8.353 -0.114 19881 3104 1 12 . 1 1 47 47 GLU N N 47 123.031 123.031 119.079 3.952 19881 3105 1 12 . 1 1 47 47 GLU HA H 47 4.528 4.528 4.477 0.051 19881 3106 1 12 . 1 1 47 47 GLU CA C 47 54.651 54.651 53.991 0.660 19881 3107 1 12 . 1 1 47 47 GLU CB C 47 29.910 29.910 30.276 -0.366 19881 3108 1 12 . 1 1 47 47 GLU H H 47 8.163 8.163 7.860 0.303 19881 3109 1 13 . 1 1 2 2 GLY N N 2 109.485 109.485 109.056 0.429 19881 3110 1 13 . 1 1 2 2 GLY C C 2 174.370 174.370 175.180 -0.810 19881 3111 1 13 . 1 1 2 2 GLY CA C 2 46.411 46.411 45.279 1.132 19881 3112 1 13 . 1 1 2 2 GLY H H 2 8.713 8.713 8.736 -0.023 19881 3113 1 13 . 1 1 3 3 GLY N N 3 108.308 108.308 106.421 1.887 19881 3114 1 13 . 1 1 3 3 GLY C C 3 173.840 173.840 173.669 0.171 19881 3115 1 13 . 1 1 3 3 GLY CA C 3 45.276 45.276 44.794 0.482 19881 3116 1 13 . 1 1 3 3 GLY H H 3 8.326 8.326 8.251 0.075 19881 3117 1 13 . 1 1 4 4 ILE N N 4 120.682 120.682 122.413 -1.731 19881 3118 1 13 . 1 1 4 4 ILE HA H 4 4.330 4.330 4.393 -0.063 19881 3119 1 13 . 1 1 4 4 ILE CA C 4 60.610 60.610 60.983 -0.372 19881 3120 1 13 . 1 1 4 4 ILE CB C 4 39.100 39.100 38.427 0.673 19881 3121 1 13 . 1 1 4 4 ILE H H 4 7.605 7.605 7.937 -0.332 19881 3122 1 13 . 1 1 5 5 SER N N 5 121.157 121.157 123.292 -2.135 19881 3123 1 13 . 1 1 5 5 SER HA H 5 4.676 4.676 4.577 0.099 19881 3124 1 13 . 1 1 5 5 SER C C 5 175.720 175.720 174.303 1.417 19881 3125 1 13 . 1 1 5 5 SER CA C 5 57.000 57.000 59.251 -2.251 19881 3126 1 13 . 1 1 5 5 SER CB C 5 65.760 65.760 64.506 1.254 19881 3127 1 13 . 1 1 5 5 SER H H 5 8.167 8.167 8.680 -0.513 19881 3128 1 13 . 1 1 6 6 ILE N N 6 123.227 123.227 121.571 1.656 19881 3129 1 13 . 1 1 6 6 ILE HA H 6 3.771 3.771 4.173 -0.402 19881 3130 1 13 . 1 1 6 6 ILE C C 6 176.660 176.660 176.656 0.004 19881 3131 1 13 . 1 1 6 6 ILE CA C 6 63.890 63.890 62.002 1.888 19881 3132 1 13 . 1 1 6 6 ILE CB C 6 37.173 37.173 38.263 -1.089 19881 3133 1 13 . 1 1 6 6 ILE H H 6 9.080 9.080 8.151 0.929 19881 3134 1 13 . 1 1 7 7 TRP N N 7 119.286 119.286 120.937 -1.651 19881 3135 1 13 . 1 1 7 7 TRP HA H 7 4.365 4.365 4.249 0.116 19881 3136 1 13 . 1 1 7 7 TRP C C 7 177.800 177.800 178.353 -0.553 19881 3137 1 13 . 1 1 7 7 TRP CA C 7 59.411 59.411 61.455 -2.044 19881 3138 1 13 . 1 1 7 7 TRP CB C 7 29.263 29.263 29.116 0.147 19881 3139 1 13 . 1 1 7 7 TRP H H 7 7.536 7.536 8.091 -0.555 19881 3140 1 13 . 1 1 8 8 GLN N N 8 117.821 117.821 117.990 -0.169 19881 3141 1 13 . 1 1 8 8 GLN HA H 8 3.732 3.732 4.136 -0.404 19881 3142 1 13 . 1 1 8 8 GLN C C 8 177.765 177.765 178.439 -0.674 19881 3143 1 13 . 1 1 8 8 GLN CA C 8 59.367 59.367 59.455 -0.088 19881 3144 1 13 . 1 1 8 8 GLN CB C 8 28.094 28.094 27.573 0.521 19881 3145 1 13 . 1 1 8 8 GLN H H 8 7.132 7.132 8.732 -1.600 19881 3146 1 13 . 1 1 9 9 LEU N N 9 118.175 118.175 119.827 -1.652 19881 3147 1 13 . 1 1 9 9 LEU HA H 9 3.916 3.916 4.101 -0.185 19881 3148 1 13 . 1 1 9 9 LEU C C 9 178.096 178.096 179.288 -1.192 19881 3149 1 13 . 1 1 9 9 LEU CA C 9 58.057 58.057 57.974 0.083 19881 3150 1 13 . 1 1 9 9 LEU CB C 9 41.803 41.803 40.782 1.021 19881 3151 1 13 . 1 1 9 9 LEU H H 9 7.680 7.680 8.263 -0.583 19881 3152 1 13 . 1 1 10 10 LEU N N 10 118.370 118.370 120.708 -2.338 19881 3153 1 13 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.887 0.067 19881 3154 1 13 . 1 1 10 10 LEU C C 10 177.930 177.930 179.259 -1.329 19881 3155 1 13 . 1 1 10 10 LEU CA C 10 58.215 58.215 58.525 -0.310 19881 3156 1 13 . 1 1 10 10 LEU CB C 10 41.770 41.770 41.768 0.002 19881 3157 1 13 . 1 1 10 10 LEU H H 10 8.182 8.182 8.262 -0.080 19881 3158 1 13 . 1 1 11 11 ILE N N 11 117.907 117.907 119.586 -1.679 19881 3159 1 13 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.727 -0.111 19881 3160 1 13 . 1 1 11 11 ILE C C 11 177.370 177.370 178.070 -0.700 19881 3161 1 13 . 1 1 11 11 ILE CA C 11 65.245 65.245 65.818 -0.573 19881 3162 1 13 . 1 1 11 11 ILE CB C 11 37.290 37.290 37.899 -0.609 19881 3163 1 13 . 1 1 11 11 ILE H H 11 7.676 7.676 7.777 -0.101 19881 3164 1 13 . 1 1 12 12 ILE N N 12 118.851 118.851 120.340 -1.489 19881 3165 1 13 . 1 1 12 12 ILE HA H 12 3.525 3.525 3.599 -0.074 19881 3166 1 13 . 1 1 12 12 ILE C C 12 176.908 176.908 177.800 -0.892 19881 3167 1 13 . 1 1 12 12 ILE CA C 12 65.463 65.463 65.857 -0.394 19881 3168 1 13 . 1 1 12 12 ILE CB C 12 37.450 37.450 37.602 -0.152 19881 3169 1 13 . 1 1 12 12 ILE H H 12 7.756 7.756 8.347 -0.591 19881 3170 1 13 . 1 1 13 13 ALA N N 13 121.114 121.114 122.474 -1.360 19881 3171 1 13 . 1 1 13 13 ALA HA H 13 3.822 3.822 4.102 -0.280 19881 3172 1 13 . 1 1 13 13 ALA C C 13 178.605 178.605 179.734 -1.129 19881 3173 1 13 . 1 1 13 13 ALA CA C 13 55.753 55.753 55.335 0.418 19881 3174 1 13 . 1 1 13 13 ALA CB C 13 17.799 17.799 18.138 -0.339 19881 3175 1 13 . 1 1 13 13 ALA H H 13 8.367 8.367 8.631 -0.264 19881 3176 1 13 . 1 1 14 14 VAL N N 14 116.560 116.560 119.499 -2.939 19881 3177 1 13 . 1 1 14 14 VAL HA H 14 3.418 3.418 3.587 -0.169 19881 3178 1 13 . 1 1 14 14 VAL C C 14 177.236 177.236 178.007 -0.771 19881 3179 1 13 . 1 1 14 14 VAL CA C 14 67.304 67.304 66.838 0.466 19881 3180 1 13 . 1 1 14 14 VAL CB C 14 31.360 31.360 31.904 -0.544 19881 3181 1 13 . 1 1 14 14 VAL H H 14 8.164 8.164 8.011 0.153 19881 3182 1 13 . 1 1 15 15 ILE N N 15 119.573 119.573 120.050 -0.477 19881 3183 1 13 . 1 1 15 15 ILE HA H 15 3.517 3.517 3.683 -0.166 19881 3184 1 13 . 1 1 15 15 ILE C C 15 177.490 177.490 178.049 -0.559 19881 3185 1 13 . 1 1 15 15 ILE CA C 15 65.828 65.828 65.613 0.215 19881 3186 1 13 . 1 1 15 15 ILE CB C 15 37.364 37.364 37.853 -0.489 19881 3187 1 13 . 1 1 15 15 ILE H H 15 8.045 8.045 7.995 0.050 19881 3188 1 13 . 1 1 16 16 VAL N N 16 118.777 118.777 119.947 -1.170 19881 3189 1 13 . 1 1 16 16 VAL HA H 16 3.597 3.597 3.729 -0.132 19881 3190 1 13 . 1 1 16 16 VAL C C 16 177.993 177.993 177.618 0.375 19881 3191 1 13 . 1 1 16 16 VAL CA C 16 67.680 67.680 67.089 0.591 19881 3192 1 13 . 1 1 16 16 VAL CB C 16 31.240 31.240 32.042 -0.802 19881 3193 1 13 . 1 1 16 16 VAL H H 16 8.481 8.481 8.107 0.374 19881 3194 1 13 . 1 1 17 17 VAL N N 17 120.072 120.072 119.842 0.230 19881 3195 1 13 . 1 1 17 17 VAL HA H 17 3.602 3.602 3.658 -0.056 19881 3196 1 13 . 1 1 17 17 VAL C C 17 178.199 178.199 177.884 0.315 19881 3197 1 13 . 1 1 17 17 VAL CA C 17 67.426 67.426 66.970 0.456 19881 3198 1 13 . 1 1 17 17 VAL CB C 17 31.187 31.187 31.671 -0.484 19881 3199 1 13 . 1 1 17 17 VAL H H 17 8.329 8.329 7.737 0.592 19881 3200 1 13 . 1 1 18 18 LEU N N 18 120.167 120.167 119.123 1.044 19881 3201 1 13 . 1 1 18 18 LEU HA H 18 4.012 4.012 3.970 0.042 19881 3202 1 13 . 1 1 18 18 LEU C C 18 178.985 178.985 179.304 -0.319 19881 3203 1 13 . 1 1 18 18 LEU CA C 18 58.130 58.130 57.681 0.449 19881 3204 1 13 . 1 1 18 18 LEU CB C 18 42.045 42.045 41.472 0.573 19881 3205 1 13 . 1 1 18 18 LEU H H 18 8.413 8.413 7.484 0.929 19881 3206 1 13 . 1 1 19 19 LEU N N 19 118.603 118.603 116.000 2.603 19881 3207 1 13 . 1 1 19 19 LEU HA H 19 3.984 3.984 4.075 -0.091 19881 3208 1 13 . 1 1 19 19 LEU C C 19 178.510 178.510 178.580 -0.070 19881 3209 1 13 . 1 1 19 19 LEU CA C 19 57.831 57.831 57.884 -0.053 19881 3210 1 13 . 1 1 19 19 LEU CB C 19 42.406 42.406 41.381 1.025 19881 3211 1 13 . 1 1 19 19 LEU H H 19 8.420 8.420 7.673 0.747 19881 3212 1 13 . 1 1 20 20 PHE N N 20 116.154 116.154 119.134 -2.980 19881 3213 1 13 . 1 1 20 20 PHE HA H 20 4.508 4.508 4.370 0.138 19881 3214 1 13 . 1 1 20 20 PHE C C 20 178.062 178.062 177.238 0.824 19881 3215 1 13 . 1 1 20 20 PHE CA C 20 60.202 60.202 59.959 0.243 19881 3216 1 13 . 1 1 20 20 PHE CB C 20 40.126 40.126 39.593 0.533 19881 3217 1 13 . 1 1 20 20 PHE H H 20 8.451 8.451 8.367 0.084 19881 3218 1 13 . 1 1 21 21 GLY N N 21 108.705 108.705 104.967 3.738 19881 3219 1 13 . 1 1 21 21 GLY C C 21 173.997 173.997 174.788 -0.791 19881 3220 1 13 . 1 1 21 21 GLY CA C 21 46.189 46.189 45.263 0.926 19881 3221 1 13 . 1 1 21 21 GLY H H 21 8.754 8.754 8.117 0.637 19881 3222 1 13 . 1 1 22 22 THR N N 22 111.556 111.556 108.909 2.647 19881 3223 1 13 . 1 1 22 22 THR HA H 22 4.080 4.080 3.890 0.190 19881 3224 1 13 . 1 1 22 22 THR CA C 22 64.722 64.722 64.174 0.548 19881 3225 1 13 . 1 1 22 22 THR CB C 22 69.150 69.150 67.597 1.553 19881 3226 1 13 . 1 1 22 22 THR H H 22 8.190 8.190 7.996 0.194 19881 3227 1 13 . 1 1 23 23 LYS N N 23 121.733 121.733 120.791 0.942 19881 3228 1 13 . 1 1 23 23 LYS HA H 23 4.175 4.175 4.124 0.051 19881 3229 1 13 . 1 1 23 23 LYS C C 23 178.622 178.622 177.906 0.716 19881 3230 1 13 . 1 1 23 23 LYS CA C 23 58.378 58.378 58.776 -0.399 19881 3231 1 13 . 1 1 23 23 LYS CB C 23 31.639 31.639 32.489 -0.850 19881 3232 1 13 . 1 1 23 23 LYS H H 23 8.165 8.165 8.235 -0.070 19881 3233 1 13 . 1 1 24 24 LYS N N 24 118.854 118.854 119.612 -0.758 19881 3234 1 13 . 1 1 24 24 LYS HA H 24 4.246 4.246 4.055 0.191 19881 3235 1 13 . 1 1 24 24 LYS C C 24 177.705 177.705 178.516 -0.811 19881 3236 1 13 . 1 1 24 24 LYS CA C 24 57.026 57.026 58.901 -1.875 19881 3237 1 13 . 1 1 24 24 LYS CB C 24 32.471 32.471 31.480 0.991 19881 3238 1 13 . 1 1 24 24 LYS H H 24 8.144 8.144 8.324 -0.180 19881 3239 1 13 . 1 1 25 25 LEU N N 25 118.583 118.583 117.945 0.638 19881 3240 1 13 . 1 1 25 25 LEU HA H 25 4.148 4.148 3.997 0.151 19881 3241 1 13 . 1 1 25 25 LEU C C 25 177.815 177.815 179.312 -1.497 19881 3242 1 13 . 1 1 25 25 LEU CA C 25 56.511 56.511 58.362 -1.851 19881 3243 1 13 . 1 1 25 25 LEU CB C 25 41.955 41.955 41.389 0.566 19881 3244 1 13 . 1 1 25 25 LEU H H 25 7.820 7.820 7.884 -0.064 19881 3245 1 13 . 1 1 26 26 GLY N N 26 106.160 106.160 105.394 0.766 19881 3246 1 13 . 1 1 26 26 GLY C C 26 175.013 175.013 175.780 -0.767 19881 3247 1 13 . 1 1 26 26 GLY CA C 26 46.414 46.414 46.796 -0.382 19881 3248 1 13 . 1 1 26 26 GLY H H 26 8.146 8.146 7.655 0.491 19881 3249 1 13 . 1 1 27 27 SER N N 27 116.361 116.361 116.645 -0.284 19881 3250 1 13 . 1 1 27 27 SER HA H 27 4.441 4.441 4.431 0.010 19881 3251 1 13 . 1 1 27 27 SER C C 27 175.407 175.407 176.086 -0.679 19881 3252 1 13 . 1 1 27 27 SER CA C 27 59.665 59.665 60.449 -0.784 19881 3253 1 13 . 1 1 27 27 SER CB C 27 63.672 63.672 63.562 0.110 19881 3254 1 13 . 1 1 27 27 SER H H 27 8.046 8.046 7.597 0.449 19881 3255 1 13 . 1 1 28 28 ILE N N 28 121.108 121.108 114.615 6.493 19881 3256 1 13 . 1 1 28 28 ILE HA H 28 4.090 4.090 4.374 -0.284 19881 3257 1 13 . 1 1 28 28 ILE C C 28 176.733 176.733 177.355 -0.622 19881 3258 1 13 . 1 1 28 28 ILE CA C 28 62.883 62.883 62.830 0.053 19881 3259 1 13 . 1 1 28 28 ILE CB C 28 38.348 38.348 38.115 0.233 19881 3260 1 13 . 1 1 28 28 ILE H H 28 7.847 7.847 8.352 -0.505 19881 3261 1 13 . 1 1 29 29 GLY N N 29 109.304 109.304 108.686 0.618 19881 3262 1 13 . 1 1 29 29 GLY C C 29 174.534 174.534 176.524 -1.990 19881 3263 1 13 . 1 1 29 29 GLY CA C 29 46.278 46.278 47.446 -1.168 19881 3264 1 13 . 1 1 29 29 GLY H H 29 8.329 8.329 8.716 -0.387 19881 3265 1 13 . 1 1 30 30 SER N N 30 115.814 115.814 116.226 -0.412 19881 3266 1 13 . 1 1 30 30 SER HA H 30 4.301 4.301 4.268 0.033 19881 3267 1 13 . 1 1 30 30 SER C C 30 175.445 175.445 176.280 -0.835 19881 3268 1 13 . 1 1 30 30 SER CA C 30 60.378 60.378 61.902 -1.524 19881 3269 1 13 . 1 1 30 30 SER CB C 30 63.575 63.575 62.903 0.672 19881 3270 1 13 . 1 1 30 30 SER H H 30 8.026 8.026 7.917 0.109 19881 3271 1 13 . 1 1 31 31 ASP N N 31 122.351 122.351 122.786 -0.435 19881 3272 1 13 . 1 1 31 31 ASP HA H 31 4.648 4.648 4.597 0.051 19881 3273 1 13 . 1 1 31 31 ASP C C 31 177.501 177.501 178.643 -1.142 19881 3274 1 13 . 1 1 31 31 ASP CA C 31 55.138 55.138 56.600 -1.462 19881 3275 1 13 . 1 1 31 31 ASP CB C 31 40.847 40.847 40.866 -0.019 19881 3276 1 13 . 1 1 31 31 ASP H H 31 8.261 8.261 7.694 0.567 19881 3277 1 13 . 1 1 32 32 LEU N N 32 123.303 123.303 120.858 2.445 19881 3278 1 13 . 1 1 32 32 LEU HA H 32 4.146 4.146 4.162 -0.016 19881 3279 1 13 . 1 1 32 32 LEU C C 32 178.653 178.653 179.079 -0.426 19881 3280 1 13 . 1 1 32 32 LEU CA C 32 57.539 57.539 57.804 -0.265 19881 3281 1 13 . 1 1 32 32 LEU CB C 32 42.175 42.175 41.539 0.636 19881 3282 1 13 . 1 1 32 32 LEU H H 32 8.400 8.400 8.526 -0.126 19881 3283 1 13 . 1 1 33 33 GLY N N 33 107.221 107.221 106.602 0.619 19881 3284 1 13 . 1 1 33 33 GLY C C 33 175.646 175.646 175.384 0.262 19881 3285 1 13 . 1 1 33 33 GLY CA C 33 47.342 47.342 47.355 -0.013 19881 3286 1 13 . 1 1 33 33 GLY H H 33 8.582 8.582 8.753 -0.171 19881 3287 1 13 . 1 1 34 34 ALA N N 34 123.643 123.643 123.472 0.171 19881 3288 1 13 . 1 1 34 34 ALA HA H 34 4.165 4.165 4.186 -0.021 19881 3289 1 13 . 1 1 34 34 ALA C C 34 180.302 180.302 179.562 0.740 19881 3290 1 13 . 1 1 34 34 ALA CA C 34 54.422 54.422 54.752 -0.330 19881 3291 1 13 . 1 1 34 34 ALA CB C 34 18.645 18.645 18.381 0.264 19881 3292 1 13 . 1 1 34 34 ALA H H 34 8.012 8.012 7.601 0.411 19881 3293 1 13 . 1 1 35 35 SER N N 35 115.942 115.942 114.733 1.209 19881 3294 1 13 . 1 1 35 35 SER HA H 35 4.342 4.342 4.230 0.112 19881 3295 1 13 . 1 1 35 35 SER C C 35 176.430 176.430 176.839 -0.409 19881 3296 1 13 . 1 1 35 35 SER CA C 35 61.552 61.552 61.682 -0.130 19881 3297 1 13 . 1 1 35 35 SER CB C 35 63.404 63.404 63.271 0.133 19881 3298 1 13 . 1 1 35 35 SER H H 35 8.021 8.021 7.934 0.087 19881 3299 1 13 . 1 1 36 36 ILE N N 36 121.829 121.829 122.151 -0.322 19881 3300 1 13 . 1 1 36 36 ILE HA H 36 3.855 3.855 3.842 0.013 19881 3301 1 13 . 1 1 36 36 ILE C C 36 177.310 177.310 177.036 0.274 19881 3302 1 13 . 1 1 36 36 ILE CA C 36 64.467 64.467 63.212 1.255 19881 3303 1 13 . 1 1 36 36 ILE CB C 36 37.790 37.790 37.721 0.069 19881 3304 1 13 . 1 1 36 36 ILE H H 36 8.170 8.170 8.349 -0.179 19881 3305 1 13 . 1 1 37 37 LYS N N 37 120.804 120.804 121.307 -0.503 19881 3306 1 13 . 1 1 37 37 LYS HA H 37 3.998 3.998 4.025 -0.027 19881 3307 1 13 . 1 1 37 37 LYS C C 37 178.932 178.932 179.167 -0.235 19881 3308 1 13 . 1 1 37 37 LYS CA C 37 59.665 59.665 60.149 -0.484 19881 3309 1 13 . 1 1 37 37 LYS CB C 37 32.400 32.400 31.707 0.693 19881 3310 1 13 . 1 1 37 37 LYS H H 37 8.039 8.039 8.132 -0.093 19881 3311 1 13 . 1 1 38 38 GLY N N 38 107.479 107.479 107.451 0.028 19881 3312 1 13 . 1 1 38 38 GLY C C 38 176.690 176.690 176.104 0.586 19881 3313 1 13 . 1 1 38 38 GLY CA C 38 46.426 46.426 46.874 -0.448 19881 3314 1 13 . 1 1 38 38 GLY H H 38 8.145 8.145 8.014 0.131 19881 3315 1 13 . 1 1 39 39 PHE N N 39 122.726 122.726 122.991 -0.265 19881 3316 1 13 . 1 1 39 39 PHE HA H 39 4.389 4.389 4.315 0.074 19881 3317 1 13 . 1 1 39 39 PHE C C 39 176.506 176.506 177.217 -0.711 19881 3318 1 13 . 1 1 39 39 PHE CA C 39 60.235 60.235 60.488 -0.253 19881 3319 1 13 . 1 1 39 39 PHE CB C 39 39.354 39.354 39.429 -0.075 19881 3320 1 13 . 1 1 39 39 PHE H H 39 8.078 8.078 7.903 0.175 19881 3321 1 13 . 1 1 40 40 LYS N N 40 119.668 119.668 119.229 0.439 19881 3322 1 13 . 1 1 40 40 LYS HA H 40 3.925 3.925 3.832 0.093 19881 3323 1 13 . 1 1 40 40 LYS C C 40 178.275 178.275 178.683 -0.408 19881 3324 1 13 . 1 1 40 40 LYS CA C 40 58.940 58.940 59.672 -0.732 19881 3325 1 13 . 1 1 40 40 LYS CB C 40 32.523 32.523 32.364 0.159 19881 3326 1 13 . 1 1 40 40 LYS H H 40 8.192 8.192 8.954 -0.762 19881 3327 1 13 . 1 1 41 41 LYS N N 41 120.878 120.878 119.233 1.645 19881 3328 1 13 . 1 1 41 41 LYS HA H 41 4.109 4.109 3.986 0.123 19881 3329 1 13 . 1 1 41 41 LYS C C 41 177.740 177.740 178.603 -0.863 19881 3330 1 13 . 1 1 41 41 LYS CA C 41 58.105 58.105 59.354 -1.249 19881 3331 1 13 . 1 1 41 41 LYS CB C 41 32.516 32.516 32.422 0.094 19881 3332 1 13 . 1 1 41 41 LYS H H 41 7.997 7.997 8.223 -0.226 19881 3333 1 13 . 1 1 42 42 ALA N N 42 122.719 122.719 120.419 2.300 19881 3334 1 13 . 1 1 42 42 ALA HA H 42 4.213 4.213 4.089 0.124 19881 3335 1 13 . 1 1 42 42 ALA C C 42 178.450 178.450 179.084 -0.634 19881 3336 1 13 . 1 1 42 42 ALA CA C 42 53.586 53.586 54.366 -0.780 19881 3337 1 13 . 1 1 42 42 ALA CB C 42 18.919 18.919 18.547 0.372 19881 3338 1 13 . 1 1 42 42 ALA H H 42 7.900 7.900 7.369 0.531 19881 3339 1 13 . 1 1 43 43 MET N N 43 115.999 115.999 116.120 -0.121 19881 3340 1 13 . 1 1 43 43 MET HA H 43 4.415 4.415 4.413 0.002 19881 3341 1 13 . 1 1 43 43 MET C C 43 176.270 176.270 177.789 -1.519 19881 3342 1 13 . 1 1 43 43 MET CA C 43 55.488 55.488 56.544 -1.056 19881 3343 1 13 . 1 1 43 43 MET CB C 43 33.279 33.279 33.332 -0.053 19881 3344 1 13 . 1 1 43 43 MET H H 43 7.757 7.757 7.491 0.266 19881 3345 1 13 . 1 1 44 44 SER N N 44 115.396 115.396 117.422 -2.026 19881 3346 1 13 . 1 1 44 44 SER HA H 44 4.463 4.463 4.171 0.292 19881 3347 1 13 . 1 1 44 44 SER C C 44 173.950 173.950 174.795 -0.845 19881 3348 1 13 . 1 1 44 44 SER CA C 44 58.536 58.536 61.263 -2.727 19881 3349 1 13 . 1 1 44 44 SER CB C 44 64.380 64.380 63.307 1.073 19881 3350 1 13 . 1 1 44 44 SER H H 44 7.821 7.821 8.233 -0.412 19881 3351 1 13 . 1 1 45 45 ASP N N 45 123.208 123.208 120.186 3.022 19881 3352 1 13 . 1 1 45 45 ASP HA H 45 4.576 4.576 4.596 -0.020 19881 3353 1 13 . 1 1 45 45 ASP C C 45 175.990 175.990 175.560 0.430 19881 3354 1 13 . 1 1 45 45 ASP CA C 45 54.264 54.264 53.620 0.644 19881 3355 1 13 . 1 1 45 45 ASP CB C 45 41.410 41.410 38.933 2.477 19881 3356 1 13 . 1 1 45 45 ASP H H 45 8.293 8.293 7.889 0.404 19881 3357 1 13 . 1 1 46 46 ASP N N 46 121.430 121.430 122.091 -0.661 19881 3358 1 13 . 1 1 46 46 ASP HA H 46 4.542 4.542 4.743 -0.201 19881 3359 1 13 . 1 1 46 46 ASP C C 46 176.060 176.060 175.803 0.257 19881 3360 1 13 . 1 1 46 46 ASP CA C 46 54.250 54.250 53.498 0.752 19881 3361 1 13 . 1 1 46 46 ASP CB C 46 41.500 41.500 40.703 0.797 19881 3362 1 13 . 1 1 46 46 ASP H H 46 8.239 8.239 8.035 0.204 19881 3363 1 13 . 1 1 47 47 GLU N N 47 123.031 123.031 119.602 3.429 19881 3364 1 13 . 1 1 47 47 GLU HA H 47 4.528 4.528 4.451 0.077 19881 3365 1 13 . 1 1 47 47 GLU CA C 47 54.651 54.651 54.903 -0.252 19881 3366 1 13 . 1 1 47 47 GLU CB C 47 29.910 29.910 31.070 -1.160 19881 3367 1 13 . 1 1 47 47 GLU H H 47 8.163 8.163 8.241 -0.078 19881 3368 1 14 . 1 1 2 2 GLY N N 2 109.485 109.485 109.379 0.106 19881 3369 1 14 . 1 1 2 2 GLY C C 2 174.370 174.370 174.575 -0.205 19881 3370 1 14 . 1 1 2 2 GLY CA C 2 46.411 46.411 45.339 1.072 19881 3371 1 14 . 1 1 2 2 GLY H H 2 8.713 8.713 8.502 0.211 19881 3372 1 14 . 1 1 3 3 GLY N N 3 108.308 108.308 108.813 -0.505 19881 3373 1 14 . 1 1 3 3 GLY C C 3 173.840 173.840 174.523 -0.683 19881 3374 1 14 . 1 1 3 3 GLY CA C 3 45.276 45.276 44.723 0.553 19881 3375 1 14 . 1 1 3 3 GLY H H 3 8.326 8.326 8.278 0.048 19881 3376 1 14 . 1 1 4 4 ILE N N 4 120.682 120.682 120.154 0.528 19881 3377 1 14 . 1 1 4 4 ILE HA H 4 4.330 4.330 3.856 0.474 19881 3378 1 14 . 1 1 4 4 ILE CA C 4 60.610 60.610 61.033 -0.423 19881 3379 1 14 . 1 1 4 4 ILE CB C 4 39.100 39.100 37.881 1.219 19881 3380 1 14 . 1 1 4 4 ILE H H 4 7.605 7.605 8.049 -0.444 19881 3381 1 14 . 1 1 5 5 SER N N 5 121.157 121.157 119.911 1.246 19881 3382 1 14 . 1 1 5 5 SER HA H 5 4.676 4.676 4.730 -0.054 19881 3383 1 14 . 1 1 5 5 SER C C 5 175.720 175.720 175.838 -0.118 19881 3384 1 14 . 1 1 5 5 SER CA C 5 57.000 57.000 57.605 -0.605 19881 3385 1 14 . 1 1 5 5 SER CB C 5 65.760 65.760 64.630 1.130 19881 3386 1 14 . 1 1 5 5 SER H H 5 8.167 8.167 8.031 0.136 19881 3387 1 14 . 1 1 6 6 ILE N N 6 123.227 123.227 122.601 0.626 19881 3388 1 14 . 1 1 6 6 ILE HA H 6 3.771 3.771 3.938 -0.167 19881 3389 1 14 . 1 1 6 6 ILE C C 6 176.660 176.660 178.105 -1.445 19881 3390 1 14 . 1 1 6 6 ILE CA C 6 63.890 63.890 64.446 -0.556 19881 3391 1 14 . 1 1 6 6 ILE CB C 6 37.173 37.173 36.987 0.186 19881 3392 1 14 . 1 1 6 6 ILE H H 6 9.080 9.080 8.756 0.324 19881 3393 1 14 . 1 1 7 7 TRP N N 7 119.286 119.286 121.050 -1.764 19881 3394 1 14 . 1 1 7 7 TRP HA H 7 4.365 4.365 4.415 -0.050 19881 3395 1 14 . 1 1 7 7 TRP C C 7 177.800 177.800 177.700 0.100 19881 3396 1 14 . 1 1 7 7 TRP CA C 7 59.411 59.411 60.695 -1.284 19881 3397 1 14 . 1 1 7 7 TRP CB C 7 29.263 29.263 28.863 0.400 19881 3398 1 14 . 1 1 7 7 TRP H H 7 7.536 7.536 8.355 -0.819 19881 3399 1 14 . 1 1 8 8 GLN N N 8 117.821 117.821 117.705 0.116 19881 3400 1 14 . 1 1 8 8 GLN HA H 8 3.732 3.732 3.749 -0.017 19881 3401 1 14 . 1 1 8 8 GLN C C 8 177.765 177.765 178.471 -0.706 19881 3402 1 14 . 1 1 8 8 GLN CA C 8 59.367 59.367 58.582 0.785 19881 3403 1 14 . 1 1 8 8 GLN CB C 8 28.094 28.094 28.040 0.054 19881 3404 1 14 . 1 1 8 8 GLN H H 8 7.132 7.132 8.302 -1.170 19881 3405 1 14 . 1 1 9 9 LEU N N 9 118.175 118.175 120.605 -2.430 19881 3406 1 14 . 1 1 9 9 LEU HA H 9 3.916 3.916 3.927 -0.011 19881 3407 1 14 . 1 1 9 9 LEU C C 9 178.096 178.096 178.992 -0.896 19881 3408 1 14 . 1 1 9 9 LEU CA C 9 58.057 58.057 57.845 0.212 19881 3409 1 14 . 1 1 9 9 LEU CB C 9 41.803 41.803 41.539 0.264 19881 3410 1 14 . 1 1 9 9 LEU H H 9 7.680 7.680 8.396 -0.716 19881 3411 1 14 . 1 1 10 10 LEU N N 10 118.370 118.370 120.064 -1.694 19881 3412 1 14 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.837 0.117 19881 3413 1 14 . 1 1 10 10 LEU C C 10 177.930 177.930 178.978 -1.048 19881 3414 1 14 . 1 1 10 10 LEU CA C 10 58.215 58.215 58.192 0.023 19881 3415 1 14 . 1 1 10 10 LEU CB C 10 41.770 41.770 41.674 0.096 19881 3416 1 14 . 1 1 10 10 LEU H H 10 8.182 8.182 7.814 0.368 19881 3417 1 14 . 1 1 11 11 ILE N N 11 117.907 117.907 119.397 -1.490 19881 3418 1 14 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.454 0.162 19881 3419 1 14 . 1 1 11 11 ILE C C 11 177.370 177.370 177.925 -0.555 19881 3420 1 14 . 1 1 11 11 ILE CA C 11 65.245 65.245 65.469 -0.224 19881 3421 1 14 . 1 1 11 11 ILE CB C 11 37.290 37.290 37.565 -0.275 19881 3422 1 14 . 1 1 11 11 ILE H H 11 7.676 7.676 7.036 0.640 19881 3423 1 14 . 1 1 12 12 ILE N N 12 118.851 118.851 120.457 -1.606 19881 3424 1 14 . 1 1 12 12 ILE HA H 12 3.525 3.525 3.646 -0.121 19881 3425 1 14 . 1 1 12 12 ILE C C 12 176.908 176.908 177.793 -0.885 19881 3426 1 14 . 1 1 12 12 ILE CA C 12 65.463 65.463 63.552 1.911 19881 3427 1 14 . 1 1 12 12 ILE CB C 12 37.450 37.450 36.933 0.517 19881 3428 1 14 . 1 1 12 12 ILE H H 12 7.756 7.756 7.855 -0.099 19881 3429 1 14 . 1 1 13 13 ALA N N 13 121.114 121.114 122.158 -1.044 19881 3430 1 14 . 1 1 13 13 ALA HA H 13 3.822 3.822 4.082 -0.260 19881 3431 1 14 . 1 1 13 13 ALA C C 13 178.605 178.605 179.971 -1.366 19881 3432 1 14 . 1 1 13 13 ALA CA C 13 55.753 55.753 55.324 0.429 19881 3433 1 14 . 1 1 13 13 ALA CB C 13 17.799 17.799 18.061 -0.262 19881 3434 1 14 . 1 1 13 13 ALA H H 13 8.367 8.367 8.780 -0.413 19881 3435 1 14 . 1 1 14 14 VAL N N 14 116.560 116.560 119.657 -3.097 19881 3436 1 14 . 1 1 14 14 VAL HA H 14 3.418 3.418 3.576 -0.158 19881 3437 1 14 . 1 1 14 14 VAL C C 14 177.236 177.236 177.748 -0.512 19881 3438 1 14 . 1 1 14 14 VAL CA C 14 67.304 67.304 66.764 0.540 19881 3439 1 14 . 1 1 14 14 VAL CB C 14 31.360 31.360 31.901 -0.540 19881 3440 1 14 . 1 1 14 14 VAL H H 14 8.164 8.164 7.832 0.332 19881 3441 1 14 . 1 1 15 15 ILE N N 15 119.573 119.573 117.273 2.300 19881 3442 1 14 . 1 1 15 15 ILE HA H 15 3.517 3.517 3.736 -0.219 19881 3443 1 14 . 1 1 15 15 ILE C C 15 177.490 177.490 177.630 -0.140 19881 3444 1 14 . 1 1 15 15 ILE CA C 15 65.828 65.828 65.005 0.823 19881 3445 1 14 . 1 1 15 15 ILE CB C 15 37.364 37.364 37.250 0.114 19881 3446 1 14 . 1 1 15 15 ILE H H 15 8.045 8.045 7.621 0.424 19881 3447 1 14 . 1 1 16 16 VAL N N 16 118.777 118.777 120.842 -2.065 19881 3448 1 14 . 1 1 16 16 VAL HA H 16 3.597 3.597 3.694 -0.097 19881 3449 1 14 . 1 1 16 16 VAL C C 16 177.993 177.993 178.224 -0.231 19881 3450 1 14 . 1 1 16 16 VAL CA C 16 67.680 67.680 66.145 1.535 19881 3451 1 14 . 1 1 16 16 VAL CB C 16 31.240 31.240 31.317 -0.077 19881 3452 1 14 . 1 1 16 16 VAL H H 16 8.481 8.481 7.990 0.491 19881 3453 1 14 . 1 1 17 17 VAL N N 17 120.072 120.072 119.820 0.252 19881 3454 1 14 . 1 1 17 17 VAL HA H 17 3.602 3.602 3.682 -0.080 19881 3455 1 14 . 1 1 17 17 VAL C C 17 178.199 178.199 178.127 0.072 19881 3456 1 14 . 1 1 17 17 VAL CA C 17 67.426 67.426 66.945 0.481 19881 3457 1 14 . 1 1 17 17 VAL CB C 17 31.187 31.187 31.685 -0.498 19881 3458 1 14 . 1 1 17 17 VAL H H 17 8.329 8.329 7.814 0.515 19881 3459 1 14 . 1 1 18 18 LEU N N 18 120.167 120.167 119.289 0.878 19881 3460 1 14 . 1 1 18 18 LEU HA H 18 4.012 4.012 3.957 0.055 19881 3461 1 14 . 1 1 18 18 LEU C C 18 178.985 178.985 179.319 -0.334 19881 3462 1 14 . 1 1 18 18 LEU CA C 18 58.130 58.130 57.700 0.430 19881 3463 1 14 . 1 1 18 18 LEU CB C 18 42.045 42.045 41.501 0.544 19881 3464 1 14 . 1 1 18 18 LEU H H 18 8.413 8.413 7.546 0.867 19881 3465 1 14 . 1 1 19 19 LEU N N 19 118.603 118.603 116.659 1.944 19881 3466 1 14 . 1 1 19 19 LEU HA H 19 3.984 3.984 4.070 -0.086 19881 3467 1 14 . 1 1 19 19 LEU C C 19 178.510 178.510 178.353 0.157 19881 3468 1 14 . 1 1 19 19 LEU CA C 19 57.831 57.831 57.500 0.331 19881 3469 1 14 . 1 1 19 19 LEU CB C 19 42.406 42.406 41.336 1.070 19881 3470 1 14 . 1 1 19 19 LEU H H 19 8.420 8.420 7.779 0.641 19881 3471 1 14 . 1 1 20 20 PHE N N 20 116.154 116.154 118.640 -2.486 19881 3472 1 14 . 1 1 20 20 PHE HA H 20 4.508 4.508 4.297 0.211 19881 3473 1 14 . 1 1 20 20 PHE C C 20 178.062 178.062 176.671 1.391 19881 3474 1 14 . 1 1 20 20 PHE CA C 20 60.202 60.202 60.121 0.081 19881 3475 1 14 . 1 1 20 20 PHE CB C 20 40.126 40.126 40.099 0.027 19881 3476 1 14 . 1 1 20 20 PHE H H 20 8.451 8.451 8.133 0.318 19881 3477 1 14 . 1 1 21 21 GLY N N 21 108.705 108.705 103.411 5.294 19881 3478 1 14 . 1 1 21 21 GLY C C 21 173.997 173.997 174.558 -0.561 19881 3479 1 14 . 1 1 21 21 GLY CA C 21 46.189 46.189 45.453 0.736 19881 3480 1 14 . 1 1 21 21 GLY H H 21 8.754 8.754 8.052 0.702 19881 3481 1 14 . 1 1 22 22 THR N N 22 111.556 111.556 109.948 1.608 19881 3482 1 14 . 1 1 22 22 THR HA H 22 4.080 4.080 3.856 0.224 19881 3483 1 14 . 1 1 22 22 THR CA C 22 64.722 64.722 63.776 0.946 19881 3484 1 14 . 1 1 22 22 THR CB C 22 69.150 69.150 67.589 1.561 19881 3485 1 14 . 1 1 22 22 THR H H 22 8.190 8.190 8.054 0.136 19881 3486 1 14 . 1 1 23 23 LYS N N 23 121.733 121.733 118.609 3.124 19881 3487 1 14 . 1 1 23 23 LYS HA H 23 4.175 4.175 4.225 -0.050 19881 3488 1 14 . 1 1 23 23 LYS C C 23 178.622 178.622 177.218 1.404 19881 3489 1 14 . 1 1 23 23 LYS CA C 23 58.378 58.378 58.105 0.273 19881 3490 1 14 . 1 1 23 23 LYS CB C 23 31.639 31.639 32.766 -1.127 19881 3491 1 14 . 1 1 23 23 LYS H H 23 8.165 8.165 8.244 -0.079 19881 3492 1 14 . 1 1 24 24 LYS N N 24 118.854 118.854 120.888 -2.034 19881 3493 1 14 . 1 1 24 24 LYS HA H 24 4.246 4.246 4.339 -0.093 19881 3494 1 14 . 1 1 24 24 LYS C C 24 177.705 177.705 178.244 -0.539 19881 3495 1 14 . 1 1 24 24 LYS CA C 24 57.026 57.026 57.820 -0.794 19881 3496 1 14 . 1 1 24 24 LYS CB C 24 32.471 32.471 31.425 1.046 19881 3497 1 14 . 1 1 24 24 LYS H H 24 8.144 8.144 7.580 0.564 19881 3498 1 14 . 1 1 25 25 LEU N N 25 118.583 118.583 119.236 -0.653 19881 3499 1 14 . 1 1 25 25 LEU HA H 25 4.148 4.148 3.887 0.261 19881 3500 1 14 . 1 1 25 25 LEU C C 25 177.815 177.815 178.747 -0.932 19881 3501 1 14 . 1 1 25 25 LEU CA C 25 56.511 56.511 58.497 -1.986 19881 3502 1 14 . 1 1 25 25 LEU CB C 25 41.955 41.955 40.983 0.972 19881 3503 1 14 . 1 1 25 25 LEU H H 25 7.820 7.820 8.234 -0.414 19881 3504 1 14 . 1 1 26 26 GLY N N 26 106.160 106.160 102.584 3.576 19881 3505 1 14 . 1 1 26 26 GLY C C 26 175.013 175.013 175.686 -0.673 19881 3506 1 14 . 1 1 26 26 GLY CA C 26 46.414 46.414 46.560 -0.146 19881 3507 1 14 . 1 1 26 26 GLY H H 26 8.146 8.146 8.222 -0.076 19881 3508 1 14 . 1 1 27 27 SER N N 27 116.361 116.361 116.048 0.313 19881 3509 1 14 . 1 1 27 27 SER HA H 27 4.441 4.441 4.582 -0.141 19881 3510 1 14 . 1 1 27 27 SER C C 27 175.407 175.407 175.742 -0.335 19881 3511 1 14 . 1 1 27 27 SER CA C 27 59.665 59.665 60.446 -0.780 19881 3512 1 14 . 1 1 27 27 SER CB C 27 63.672 63.672 64.857 -1.185 19881 3513 1 14 . 1 1 27 27 SER H H 27 8.046 8.046 8.129 -0.083 19881 3514 1 14 . 1 1 28 28 ILE N N 28 121.108 121.108 117.068 4.040 19881 3515 1 14 . 1 1 28 28 ILE HA H 28 4.090 4.090 4.387 -0.297 19881 3516 1 14 . 1 1 28 28 ILE C C 28 176.733 176.733 177.289 -0.556 19881 3517 1 14 . 1 1 28 28 ILE CA C 28 62.883 62.883 63.536 -0.653 19881 3518 1 14 . 1 1 28 28 ILE CB C 28 38.348 38.348 38.040 0.308 19881 3519 1 14 . 1 1 28 28 ILE H H 28 7.847 7.847 8.746 -0.899 19881 3520 1 14 . 1 1 29 29 GLY N N 29 109.304 109.304 108.953 0.351 19881 3521 1 14 . 1 1 29 29 GLY C C 29 174.534 174.534 176.419 -1.885 19881 3522 1 14 . 1 1 29 29 GLY CA C 29 46.278 46.278 47.730 -1.452 19881 3523 1 14 . 1 1 29 29 GLY H H 29 8.329 8.329 8.261 0.068 19881 3524 1 14 . 1 1 30 30 SER N N 30 115.814 115.814 116.911 -1.097 19881 3525 1 14 . 1 1 30 30 SER HA H 30 4.301 4.301 4.180 0.121 19881 3526 1 14 . 1 1 30 30 SER C C 30 175.445 175.445 176.226 -0.781 19881 3527 1 14 . 1 1 30 30 SER CA C 30 60.378 60.378 62.040 -1.662 19881 3528 1 14 . 1 1 30 30 SER CB C 30 63.575 63.575 62.627 0.948 19881 3529 1 14 . 1 1 30 30 SER H H 30 8.026 8.026 8.155 -0.129 19881 3530 1 14 . 1 1 31 31 ASP N N 31 122.351 122.351 123.345 -0.994 19881 3531 1 14 . 1 1 31 31 ASP HA H 31 4.648 4.648 4.586 0.062 19881 3532 1 14 . 1 1 31 31 ASP C C 31 177.501 177.501 178.448 -0.947 19881 3533 1 14 . 1 1 31 31 ASP CA C 31 55.138 55.138 56.273 -1.135 19881 3534 1 14 . 1 1 31 31 ASP CB C 31 40.847 40.847 40.655 0.192 19881 3535 1 14 . 1 1 31 31 ASP H H 31 8.261 8.261 7.506 0.755 19881 3536 1 14 . 1 1 32 32 LEU N N 32 123.303 123.303 121.002 2.301 19881 3537 1 14 . 1 1 32 32 LEU HA H 32 4.146 4.146 4.120 0.026 19881 3538 1 14 . 1 1 32 32 LEU C C 32 178.653 178.653 179.244 -0.591 19881 3539 1 14 . 1 1 32 32 LEU CA C 32 57.539 57.539 57.817 -0.278 19881 3540 1 14 . 1 1 32 32 LEU CB C 32 42.175 42.175 41.648 0.527 19881 3541 1 14 . 1 1 32 32 LEU H H 32 8.400 8.400 8.195 0.205 19881 3542 1 14 . 1 1 33 33 GLY N N 33 107.221 107.221 106.444 0.777 19881 3543 1 14 . 1 1 33 33 GLY C C 33 175.646 175.646 175.437 0.209 19881 3544 1 14 . 1 1 33 33 GLY CA C 33 47.342 47.342 47.291 0.050 19881 3545 1 14 . 1 1 33 33 GLY H H 33 8.582 8.582 8.833 -0.251 19881 3546 1 14 . 1 1 34 34 ALA N N 34 123.643 123.643 123.735 -0.092 19881 3547 1 14 . 1 1 34 34 ALA HA H 34 4.165 4.165 4.213 -0.048 19881 3548 1 14 . 1 1 34 34 ALA C C 34 180.302 180.302 179.893 0.409 19881 3549 1 14 . 1 1 34 34 ALA CA C 34 54.422 54.422 54.778 -0.356 19881 3550 1 14 . 1 1 34 34 ALA CB C 34 18.645 18.645 18.445 0.200 19881 3551 1 14 . 1 1 34 34 ALA H H 34 8.012 8.012 7.708 0.304 19881 3552 1 14 . 1 1 35 35 SER N N 35 115.942 115.942 115.690 0.252 19881 3553 1 14 . 1 1 35 35 SER HA H 35 4.342 4.342 4.203 0.139 19881 3554 1 14 . 1 1 35 35 SER C C 35 176.430 176.430 176.879 -0.449 19881 3555 1 14 . 1 1 35 35 SER CA C 35 61.552 61.552 62.307 -0.755 19881 3556 1 14 . 1 1 35 35 SER CB C 35 63.404 63.404 63.213 0.191 19881 3557 1 14 . 1 1 35 35 SER H H 35 8.021 8.021 8.273 -0.252 19881 3558 1 14 . 1 1 36 36 ILE N N 36 121.829 121.829 122.025 -0.196 19881 3559 1 14 . 1 1 36 36 ILE HA H 36 3.855 3.855 3.909 -0.054 19881 3560 1 14 . 1 1 36 36 ILE C C 36 177.310 177.310 177.048 0.262 19881 3561 1 14 . 1 1 36 36 ILE CA C 36 64.467 64.467 63.288 1.179 19881 3562 1 14 . 1 1 36 36 ILE CB C 36 37.790 37.790 37.526 0.264 19881 3563 1 14 . 1 1 36 36 ILE H H 36 8.170 8.170 8.476 -0.306 19881 3564 1 14 . 1 1 37 37 LYS N N 37 120.804 120.804 121.694 -0.890 19881 3565 1 14 . 1 1 37 37 LYS HA H 37 3.998 3.998 3.980 0.018 19881 3566 1 14 . 1 1 37 37 LYS C C 37 178.932 178.932 179.060 -0.128 19881 3567 1 14 . 1 1 37 37 LYS CA C 37 59.665 59.665 60.324 -0.659 19881 3568 1 14 . 1 1 37 37 LYS CB C 37 32.400 32.400 31.768 0.632 19881 3569 1 14 . 1 1 37 37 LYS H H 37 8.039 8.039 8.175 -0.136 19881 3570 1 14 . 1 1 38 38 GLY N N 38 107.479 107.479 107.440 0.039 19881 3571 1 14 . 1 1 38 38 GLY C C 38 176.690 176.690 176.138 0.552 19881 3572 1 14 . 1 1 38 38 GLY CA C 38 46.426 46.426 46.889 -0.463 19881 3573 1 14 . 1 1 38 38 GLY H H 38 8.145 8.145 8.246 -0.101 19881 3574 1 14 . 1 1 39 39 PHE N N 39 122.726 122.726 122.969 -0.243 19881 3575 1 14 . 1 1 39 39 PHE HA H 39 4.389 4.389 4.345 0.044 19881 3576 1 14 . 1 1 39 39 PHE C C 39 176.506 176.506 177.100 -0.594 19881 3577 1 14 . 1 1 39 39 PHE CA C 39 60.235 60.235 60.391 -0.156 19881 3578 1 14 . 1 1 39 39 PHE CB C 39 39.354 39.354 39.396 -0.042 19881 3579 1 14 . 1 1 39 39 PHE H H 39 8.078 8.078 8.065 0.013 19881 3580 1 14 . 1 1 40 40 LYS N N 40 119.668 119.668 118.861 0.807 19881 3581 1 14 . 1 1 40 40 LYS HA H 40 3.925 3.925 3.911 0.014 19881 3582 1 14 . 1 1 40 40 LYS C C 40 178.275 178.275 179.534 -1.259 19881 3583 1 14 . 1 1 40 40 LYS CA C 40 58.940 58.940 58.501 0.439 19881 3584 1 14 . 1 1 40 40 LYS CB C 40 32.523 32.523 31.853 0.670 19881 3585 1 14 . 1 1 40 40 LYS H H 40 8.192 8.192 8.869 -0.677 19881 3586 1 14 . 1 1 41 41 LYS N N 41 120.878 120.878 118.629 2.249 19881 3587 1 14 . 1 1 41 41 LYS HA H 41 4.109 4.109 4.044 0.065 19881 3588 1 14 . 1 1 41 41 LYS C C 41 177.740 177.740 178.061 -0.321 19881 3589 1 14 . 1 1 41 41 LYS CA C 41 58.105 58.105 59.013 -0.908 19881 3590 1 14 . 1 1 41 41 LYS CB C 41 32.516 32.516 32.455 0.061 19881 3591 1 14 . 1 1 41 41 LYS H H 41 7.997 7.997 8.262 -0.265 19881 3592 1 14 . 1 1 42 42 ALA N N 42 122.719 122.719 120.417 2.302 19881 3593 1 14 . 1 1 42 42 ALA HA H 42 4.213 4.213 4.115 0.098 19881 3594 1 14 . 1 1 42 42 ALA C C 42 178.450 178.450 178.418 0.032 19881 3595 1 14 . 1 1 42 42 ALA CA C 42 53.586 53.586 54.290 -0.704 19881 3596 1 14 . 1 1 42 42 ALA CB C 42 18.919 18.919 18.834 0.085 19881 3597 1 14 . 1 1 42 42 ALA H H 42 7.900 7.900 7.454 0.446 19881 3598 1 14 . 1 1 43 43 MET N N 43 115.999 115.999 115.639 0.360 19881 3599 1 14 . 1 1 43 43 MET HA H 43 4.415 4.415 4.376 0.039 19881 3600 1 14 . 1 1 43 43 MET C C 43 176.270 176.270 177.156 -0.886 19881 3601 1 14 . 1 1 43 43 MET CA C 43 55.488 55.488 56.779 -1.291 19881 3602 1 14 . 1 1 43 43 MET CB C 43 33.279 33.279 33.622 -0.343 19881 3603 1 14 . 1 1 43 43 MET H H 43 7.757 7.757 7.380 0.377 19881 3604 1 14 . 1 1 44 44 SER N N 44 115.396 115.396 114.412 0.984 19881 3605 1 14 . 1 1 44 44 SER HA H 44 4.463 4.463 4.051 0.412 19881 3606 1 14 . 1 1 44 44 SER C C 44 173.950 173.950 174.198 -0.248 19881 3607 1 14 . 1 1 44 44 SER CA C 44 58.536 58.536 60.711 -2.175 19881 3608 1 14 . 1 1 44 44 SER CB C 44 64.380 64.380 63.161 1.219 19881 3609 1 14 . 1 1 44 44 SER H H 44 7.821 7.821 8.258 -0.437 19881 3610 1 14 . 1 1 45 45 ASP N N 45 123.208 123.208 118.439 4.769 19881 3611 1 14 . 1 1 45 45 ASP HA H 45 4.576 4.576 4.810 -0.234 19881 3612 1 14 . 1 1 45 45 ASP C C 45 175.990 175.990 174.878 1.112 19881 3613 1 14 . 1 1 45 45 ASP CA C 45 54.264 54.264 53.690 0.574 19881 3614 1 14 . 1 1 45 45 ASP CB C 45 41.410 41.410 42.148 -0.738 19881 3615 1 14 . 1 1 45 45 ASP H H 45 8.293 8.293 8.242 0.051 19881 3616 1 14 . 1 1 46 46 ASP N N 46 121.430 121.430 120.015 1.415 19881 3617 1 14 . 1 1 46 46 ASP HA H 46 4.542 4.542 4.341 0.201 19881 3618 1 14 . 1 1 46 46 ASP C C 46 176.060 176.060 175.210 0.850 19881 3619 1 14 . 1 1 46 46 ASP CA C 46 54.250 54.250 54.821 -0.571 19881 3620 1 14 . 1 1 46 46 ASP CB C 46 41.500 41.500 40.180 1.320 19881 3621 1 14 . 1 1 46 46 ASP H H 46 8.239 8.239 8.492 -0.253 19881 3622 1 14 . 1 1 47 47 GLU N N 47 123.031 123.031 119.518 3.513 19881 3623 1 14 . 1 1 47 47 GLU HA H 47 4.528 4.528 4.105 0.423 19881 3624 1 14 . 1 1 47 47 GLU CA C 47 54.651 54.651 56.495 -1.844 19881 3625 1 14 . 1 1 47 47 GLU CB C 47 29.910 29.910 29.144 0.766 19881 3626 1 14 . 1 1 47 47 GLU H H 47 8.163 8.163 8.468 -0.305 19881 3627 1 15 . 1 1 2 2 GLY N N 2 109.485 109.485 107.137 2.348 19881 3628 1 15 . 1 1 2 2 GLY C C 2 174.370 174.370 175.229 -0.859 19881 3629 1 15 . 1 1 2 2 GLY CA C 2 46.411 46.411 45.476 0.935 19881 3630 1 15 . 1 1 2 2 GLY H H 2 8.713 8.713 9.671 -0.958 19881 3631 1 15 . 1 1 3 3 GLY N N 3 108.308 108.308 108.511 -0.203 19881 3632 1 15 . 1 1 3 3 GLY C C 3 173.840 173.840 175.246 -1.406 19881 3633 1 15 . 1 1 3 3 GLY CA C 3 45.276 45.276 44.680 0.596 19881 3634 1 15 . 1 1 3 3 GLY H H 3 8.326 8.326 8.198 0.128 19881 3635 1 15 . 1 1 4 4 ILE N N 4 120.682 120.682 118.943 1.739 19881 3636 1 15 . 1 1 4 4 ILE HA H 4 4.330 4.330 4.086 0.244 19881 3637 1 15 . 1 1 4 4 ILE CA C 4 60.610 60.610 62.878 -2.268 19881 3638 1 15 . 1 1 4 4 ILE CB C 4 39.100 39.100 38.325 0.775 19881 3639 1 15 . 1 1 4 4 ILE H H 4 7.605 7.605 7.849 -0.244 19881 3640 1 15 . 1 1 5 5 SER N N 5 121.157 121.157 112.344 8.813 19881 3641 1 15 . 1 1 5 5 SER HA H 5 4.676 4.676 4.657 0.019 19881 3642 1 15 . 1 1 5 5 SER C C 5 175.720 175.720 174.376 1.344 19881 3643 1 15 . 1 1 5 5 SER CA C 5 57.000 57.000 57.689 -0.689 19881 3644 1 15 . 1 1 5 5 SER CB C 5 65.760 65.760 64.700 1.060 19881 3645 1 15 . 1 1 5 5 SER H H 5 8.167 8.167 7.747 0.420 19881 3646 1 15 . 1 1 6 6 ILE N N 6 123.227 123.227 121.674 1.553 19881 3647 1 15 . 1 1 6 6 ILE HA H 6 3.771 3.771 4.320 -0.549 19881 3648 1 15 . 1 1 6 6 ILE C C 6 176.660 176.660 177.707 -1.047 19881 3649 1 15 . 1 1 6 6 ILE CA C 6 63.890 63.890 63.091 0.799 19881 3650 1 15 . 1 1 6 6 ILE CB C 6 37.173 37.173 38.039 -0.866 19881 3651 1 15 . 1 1 6 6 ILE H H 6 9.080 9.080 8.526 0.554 19881 3652 1 15 . 1 1 7 7 TRP N N 7 119.286 119.286 122.500 -3.214 19881 3653 1 15 . 1 1 7 7 TRP HA H 7 4.365 4.365 4.440 -0.075 19881 3654 1 15 . 1 1 7 7 TRP C C 7 177.800 177.800 177.475 0.325 19881 3655 1 15 . 1 1 7 7 TRP CA C 7 59.411 59.411 60.758 -1.347 19881 3656 1 15 . 1 1 7 7 TRP CB C 7 29.263 29.263 29.075 0.188 19881 3657 1 15 . 1 1 7 7 TRP H H 7 7.536 7.536 8.375 -0.839 19881 3658 1 15 . 1 1 8 8 GLN N N 8 117.821 117.821 117.004 0.817 19881 3659 1 15 . 1 1 8 8 GLN HA H 8 3.732 3.732 3.838 -0.106 19881 3660 1 15 . 1 1 8 8 GLN C C 8 177.765 177.765 178.220 -0.455 19881 3661 1 15 . 1 1 8 8 GLN CA C 8 59.367 59.367 58.770 0.597 19881 3662 1 15 . 1 1 8 8 GLN CB C 8 28.094 28.094 27.803 0.291 19881 3663 1 15 . 1 1 8 8 GLN H H 8 7.132 7.132 8.657 -1.525 19881 3664 1 15 . 1 1 9 9 LEU N N 9 118.175 118.175 120.152 -1.977 19881 3665 1 15 . 1 1 9 9 LEU HA H 9 3.916 3.916 3.968 -0.052 19881 3666 1 15 . 1 1 9 9 LEU C C 9 178.096 178.096 178.995 -0.899 19881 3667 1 15 . 1 1 9 9 LEU CA C 9 58.057 58.057 57.507 0.550 19881 3668 1 15 . 1 1 9 9 LEU CB C 9 41.803 41.803 41.463 0.340 19881 3669 1 15 . 1 1 9 9 LEU H H 9 7.680 7.680 7.587 0.093 19881 3670 1 15 . 1 1 10 10 LEU N N 10 118.370 118.370 120.163 -1.793 19881 3671 1 15 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.818 0.136 19881 3672 1 15 . 1 1 10 10 LEU C C 10 177.930 177.930 178.995 -1.065 19881 3673 1 15 . 1 1 10 10 LEU CA C 10 58.215 58.215 58.193 0.022 19881 3674 1 15 . 1 1 10 10 LEU CB C 10 41.770 41.770 41.609 0.161 19881 3675 1 15 . 1 1 10 10 LEU H H 10 8.182 8.182 7.619 0.563 19881 3676 1 15 . 1 1 11 11 ILE N N 11 117.907 117.907 119.463 -1.556 19881 3677 1 15 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.408 0.208 19881 3678 1 15 . 1 1 11 11 ILE C C 11 177.370 177.370 177.836 -0.466 19881 3679 1 15 . 1 1 11 11 ILE CA C 11 65.245 65.245 65.734 -0.489 19881 3680 1 15 . 1 1 11 11 ILE CB C 11 37.290 37.290 37.681 -0.391 19881 3681 1 15 . 1 1 11 11 ILE H H 11 7.676 7.676 7.111 0.565 19881 3682 1 15 . 1 1 12 12 ILE N N 12 118.851 118.851 120.273 -1.422 19881 3683 1 15 . 1 1 12 12 ILE HA H 12 3.525 3.525 3.533 -0.007 19881 3684 1 15 . 1 1 12 12 ILE C C 12 176.908 176.908 177.770 -0.862 19881 3685 1 15 . 1 1 12 12 ILE CA C 12 65.463 65.463 65.678 -0.215 19881 3686 1 15 . 1 1 12 12 ILE CB C 12 37.450 37.450 37.636 -0.186 19881 3687 1 15 . 1 1 12 12 ILE H H 12 7.756 7.756 7.845 -0.089 19881 3688 1 15 . 1 1 13 13 ALA N N 13 121.114 121.114 122.420 -1.306 19881 3689 1 15 . 1 1 13 13 ALA HA H 13 3.822 3.822 4.073 -0.251 19881 3690 1 15 . 1 1 13 13 ALA C C 13 178.605 178.605 179.665 -1.060 19881 3691 1 15 . 1 1 13 13 ALA CA C 13 55.753 55.753 55.442 0.311 19881 3692 1 15 . 1 1 13 13 ALA CB C 13 17.799 17.799 18.159 -0.360 19881 3693 1 15 . 1 1 13 13 ALA H H 13 8.367 8.367 8.786 -0.419 19881 3694 1 15 . 1 1 14 14 VAL N N 14 116.560 116.560 119.658 -3.098 19881 3695 1 15 . 1 1 14 14 VAL HA H 14 3.418 3.418 3.665 -0.247 19881 3696 1 15 . 1 1 14 14 VAL C C 14 177.236 177.236 177.913 -0.677 19881 3697 1 15 . 1 1 14 14 VAL CA C 14 67.304 67.304 66.371 0.933 19881 3698 1 15 . 1 1 14 14 VAL CB C 14 31.360 31.360 31.594 -0.234 19881 3699 1 15 . 1 1 14 14 VAL H H 14 8.164 8.164 8.012 0.152 19881 3700 1 15 . 1 1 15 15 ILE N N 15 119.573 119.573 119.804 -0.231 19881 3701 1 15 . 1 1 15 15 ILE HA H 15 3.517 3.517 3.624 -0.107 19881 3702 1 15 . 1 1 15 15 ILE C C 15 177.490 177.490 177.911 -0.421 19881 3703 1 15 . 1 1 15 15 ILE CA C 15 65.828 65.828 65.830 -0.002 19881 3704 1 15 . 1 1 15 15 ILE CB C 15 37.364 37.364 37.822 -0.458 19881 3705 1 15 . 1 1 15 15 ILE H H 15 8.045 8.045 7.917 0.128 19881 3706 1 15 . 1 1 16 16 VAL N N 16 118.777 118.777 120.090 -1.313 19881 3707 1 15 . 1 1 16 16 VAL HA H 16 3.597 3.597 3.663 -0.066 19881 3708 1 15 . 1 1 16 16 VAL C C 16 177.993 177.993 177.872 0.121 19881 3709 1 15 . 1 1 16 16 VAL CA C 16 67.680 67.680 67.024 0.656 19881 3710 1 15 . 1 1 16 16 VAL CB C 16 31.240 31.240 31.975 -0.735 19881 3711 1 15 . 1 1 16 16 VAL H H 16 8.481 8.481 8.158 0.323 19881 3712 1 15 . 1 1 17 17 VAL N N 17 120.072 120.072 120.210 -0.138 19881 3713 1 15 . 1 1 17 17 VAL HA H 17 3.602 3.602 3.738 -0.136 19881 3714 1 15 . 1 1 17 17 VAL C C 17 178.199 178.199 177.980 0.219 19881 3715 1 15 . 1 1 17 17 VAL CA C 17 67.426 67.426 67.148 0.278 19881 3716 1 15 . 1 1 17 17 VAL CB C 17 31.187 31.187 31.568 -0.381 19881 3717 1 15 . 1 1 17 17 VAL H H 17 8.329 8.329 7.734 0.595 19881 3718 1 15 . 1 1 18 18 LEU N N 18 120.167 120.167 119.143 1.024 19881 3719 1 15 . 1 1 18 18 LEU HA H 18 4.012 4.012 3.955 0.057 19881 3720 1 15 . 1 1 18 18 LEU C C 18 178.985 178.985 179.207 -0.222 19881 3721 1 15 . 1 1 18 18 LEU CA C 18 58.130 58.130 57.766 0.364 19881 3722 1 15 . 1 1 18 18 LEU CB C 18 42.045 42.045 41.395 0.650 19881 3723 1 15 . 1 1 18 18 LEU H H 18 8.413 8.413 7.491 0.922 19881 3724 1 15 . 1 1 19 19 LEU N N 19 118.603 118.603 116.793 1.810 19881 3725 1 15 . 1 1 19 19 LEU HA H 19 3.984 3.984 4.045 -0.061 19881 3726 1 15 . 1 1 19 19 LEU C C 19 178.510 178.510 178.887 -0.377 19881 3727 1 15 . 1 1 19 19 LEU CA C 19 57.831 57.831 57.518 0.313 19881 3728 1 15 . 1 1 19 19 LEU CB C 19 42.406 42.406 41.368 1.038 19881 3729 1 15 . 1 1 19 19 LEU H H 19 8.420 8.420 7.642 0.778 19881 3730 1 15 . 1 1 20 20 PHE N N 20 116.154 116.154 118.829 -2.675 19881 3731 1 15 . 1 1 20 20 PHE HA H 20 4.508 4.508 4.300 0.208 19881 3732 1 15 . 1 1 20 20 PHE C C 20 178.062 178.062 177.273 0.789 19881 3733 1 15 . 1 1 20 20 PHE CA C 20 60.202 60.202 60.053 0.149 19881 3734 1 15 . 1 1 20 20 PHE CB C 20 40.126 40.126 39.700 0.426 19881 3735 1 15 . 1 1 20 20 PHE H H 20 8.451 8.451 8.340 0.111 19881 3736 1 15 . 1 1 21 21 GLY N N 21 108.705 108.705 105.723 2.982 19881 3737 1 15 . 1 1 21 21 GLY C C 21 173.997 173.997 174.445 -0.448 19881 3738 1 15 . 1 1 21 21 GLY CA C 21 46.189 46.189 45.427 0.762 19881 3739 1 15 . 1 1 21 21 GLY H H 21 8.754 8.754 8.122 0.632 19881 3740 1 15 . 1 1 22 22 THR N N 22 111.556 111.556 109.852 1.704 19881 3741 1 15 . 1 1 22 22 THR HA H 22 4.080 4.080 3.907 0.173 19881 3742 1 15 . 1 1 22 22 THR CA C 22 64.722 64.722 63.401 1.321 19881 3743 1 15 . 1 1 22 22 THR CB C 22 69.150 69.150 67.591 1.559 19881 3744 1 15 . 1 1 22 22 THR H H 22 8.190 8.190 7.897 0.293 19881 3745 1 15 . 1 1 23 23 LYS N N 23 121.733 121.733 117.310 4.423 19881 3746 1 15 . 1 1 23 23 LYS HA H 23 4.175 4.175 4.200 -0.025 19881 3747 1 15 . 1 1 23 23 LYS C C 23 178.622 178.622 177.903 0.719 19881 3748 1 15 . 1 1 23 23 LYS CA C 23 58.378 58.378 57.831 0.547 19881 3749 1 15 . 1 1 23 23 LYS CB C 23 31.639 31.639 32.767 -1.127 19881 3750 1 15 . 1 1 23 23 LYS H H 23 8.165 8.165 7.891 0.274 19881 3751 1 15 . 1 1 24 24 LYS N N 24 118.854 118.854 121.247 -2.393 19881 3752 1 15 . 1 1 24 24 LYS HA H 24 4.246 4.246 4.176 0.070 19881 3753 1 15 . 1 1 24 24 LYS C C 24 177.705 177.705 178.307 -0.602 19881 3754 1 15 . 1 1 24 24 LYS CA C 24 57.026 57.026 58.482 -1.456 19881 3755 1 15 . 1 1 24 24 LYS CB C 24 32.471 32.471 31.409 1.062 19881 3756 1 15 . 1 1 24 24 LYS H H 24 8.144 8.144 8.181 -0.037 19881 3757 1 15 . 1 1 25 25 LEU N N 25 118.583 118.583 119.055 -0.472 19881 3758 1 15 . 1 1 25 25 LEU HA H 25 4.148 4.148 3.931 0.217 19881 3759 1 15 . 1 1 25 25 LEU C C 25 177.815 177.815 178.785 -0.970 19881 3760 1 15 . 1 1 25 25 LEU CA C 25 56.511 56.511 58.313 -1.802 19881 3761 1 15 . 1 1 25 25 LEU CB C 25 41.955 41.955 40.871 1.084 19881 3762 1 15 . 1 1 25 25 LEU H H 25 7.820 7.820 8.135 -0.315 19881 3763 1 15 . 1 1 26 26 GLY N N 26 106.160 106.160 102.335 3.825 19881 3764 1 15 . 1 1 26 26 GLY C C 26 175.013 175.013 175.884 -0.871 19881 3765 1 15 . 1 1 26 26 GLY CA C 26 46.414 46.414 46.611 -0.197 19881 3766 1 15 . 1 1 26 26 GLY H H 26 8.146 8.146 8.204 -0.058 19881 3767 1 15 . 1 1 27 27 SER N N 27 116.361 116.361 116.204 0.157 19881 3768 1 15 . 1 1 27 27 SER HA H 27 4.441 4.441 4.449 -0.008 19881 3769 1 15 . 1 1 27 27 SER C C 27 175.407 175.407 176.163 -0.756 19881 3770 1 15 . 1 1 27 27 SER CA C 27 59.665 59.665 60.150 -0.485 19881 3771 1 15 . 1 1 27 27 SER CB C 27 63.672 63.672 63.701 -0.029 19881 3772 1 15 . 1 1 27 27 SER H H 27 8.046 8.046 7.829 0.217 19881 3773 1 15 . 1 1 28 28 ILE N N 28 121.108 121.108 117.032 4.076 19881 3774 1 15 . 1 1 28 28 ILE HA H 28 4.090 4.090 4.308 -0.218 19881 3775 1 15 . 1 1 28 28 ILE C C 28 176.733 176.733 177.375 -0.642 19881 3776 1 15 . 1 1 28 28 ILE CA C 28 62.883 62.883 63.609 -0.726 19881 3777 1 15 . 1 1 28 28 ILE CB C 28 38.348 38.348 37.996 0.352 19881 3778 1 15 . 1 1 28 28 ILE H H 28 7.847 7.847 8.763 -0.916 19881 3779 1 15 . 1 1 29 29 GLY N N 29 109.304 109.304 108.798 0.506 19881 3780 1 15 . 1 1 29 29 GLY C C 29 174.534 174.534 176.253 -1.719 19881 3781 1 15 . 1 1 29 29 GLY CA C 29 46.278 46.278 47.624 -1.347 19881 3782 1 15 . 1 1 29 29 GLY H H 29 8.329 8.329 8.315 0.014 19881 3783 1 15 . 1 1 30 30 SER N N 30 115.814 115.814 116.713 -0.899 19881 3784 1 15 . 1 1 30 30 SER HA H 30 4.301 4.301 4.126 0.175 19881 3785 1 15 . 1 1 30 30 SER C C 30 175.445 175.445 176.018 -0.573 19881 3786 1 15 . 1 1 30 30 SER CA C 30 60.378 60.378 61.371 -0.993 19881 3787 1 15 . 1 1 30 30 SER CB C 30 63.575 63.575 62.871 0.704 19881 3788 1 15 . 1 1 30 30 SER H H 30 8.026 8.026 8.118 -0.092 19881 3789 1 15 . 1 1 31 31 ASP N N 31 122.351 122.351 123.453 -1.102 19881 3790 1 15 . 1 1 31 31 ASP HA H 31 4.648 4.648 4.556 0.092 19881 3791 1 15 . 1 1 31 31 ASP C C 31 177.501 177.501 178.367 -0.866 19881 3792 1 15 . 1 1 31 31 ASP CA C 31 55.138 55.138 56.329 -1.191 19881 3793 1 15 . 1 1 31 31 ASP CB C 31 40.847 40.847 40.835 0.012 19881 3794 1 15 . 1 1 31 31 ASP H H 31 8.261 8.261 7.573 0.688 19881 3795 1 15 . 1 1 32 32 LEU N N 32 123.303 123.303 120.968 2.335 19881 3796 1 15 . 1 1 32 32 LEU HA H 32 4.146 4.146 4.115 0.031 19881 3797 1 15 . 1 1 32 32 LEU C C 32 178.653 178.653 179.232 -0.579 19881 3798 1 15 . 1 1 32 32 LEU CA C 32 57.539 57.539 57.810 -0.271 19881 3799 1 15 . 1 1 32 32 LEU CB C 32 42.175 42.175 41.619 0.556 19881 3800 1 15 . 1 1 32 32 LEU H H 32 8.400 8.400 8.261 0.139 19881 3801 1 15 . 1 1 33 33 GLY N N 33 107.221 107.221 106.582 0.639 19881 3802 1 15 . 1 1 33 33 GLY C C 33 175.646 175.646 175.498 0.148 19881 3803 1 15 . 1 1 33 33 GLY CA C 33 47.342 47.342 47.299 0.043 19881 3804 1 15 . 1 1 33 33 GLY H H 33 8.582 8.582 8.790 -0.208 19881 3805 1 15 . 1 1 34 34 ALA N N 34 123.643 123.643 123.636 0.007 19881 3806 1 15 . 1 1 34 34 ALA HA H 34 4.165 4.165 4.180 -0.015 19881 3807 1 15 . 1 1 34 34 ALA C C 34 180.302 180.302 179.527 0.775 19881 3808 1 15 . 1 1 34 34 ALA CA C 34 54.422 54.422 54.803 -0.381 19881 3809 1 15 . 1 1 34 34 ALA CB C 34 18.645 18.645 18.266 0.379 19881 3810 1 15 . 1 1 34 34 ALA H H 34 8.012 8.012 7.769 0.243 19881 3811 1 15 . 1 1 35 35 SER N N 35 115.942 115.942 115.150 0.792 19881 3812 1 15 . 1 1 35 35 SER HA H 35 4.342 4.342 4.243 0.099 19881 3813 1 15 . 1 1 35 35 SER C C 35 176.430 176.430 176.912 -0.482 19881 3814 1 15 . 1 1 35 35 SER CA C 35 61.552 61.552 61.804 -0.252 19881 3815 1 15 . 1 1 35 35 SER CB C 35 63.404 63.404 63.266 0.138 19881 3816 1 15 . 1 1 35 35 SER H H 35 8.021 8.021 8.118 -0.097 19881 3817 1 15 . 1 1 36 36 ILE N N 36 121.829 121.829 122.596 -0.767 19881 3818 1 15 . 1 1 36 36 ILE HA H 36 3.855 3.855 3.911 -0.056 19881 3819 1 15 . 1 1 36 36 ILE C C 36 177.310 177.310 177.209 0.101 19881 3820 1 15 . 1 1 36 36 ILE CA C 36 64.467 64.467 63.162 1.305 19881 3821 1 15 . 1 1 36 36 ILE CB C 36 37.790 37.790 37.634 0.156 19881 3822 1 15 . 1 1 36 36 ILE H H 36 8.170 8.170 8.444 -0.274 19881 3823 1 15 . 1 1 37 37 LYS N N 37 120.804 120.804 121.340 -0.536 19881 3824 1 15 . 1 1 37 37 LYS HA H 37 3.998 3.998 4.033 -0.035 19881 3825 1 15 . 1 1 37 37 LYS C C 37 178.932 178.932 179.248 -0.316 19881 3826 1 15 . 1 1 37 37 LYS CA C 37 59.665 59.665 60.130 -0.465 19881 3827 1 15 . 1 1 37 37 LYS CB C 37 32.400 32.400 31.739 0.661 19881 3828 1 15 . 1 1 37 37 LYS H H 37 8.039 8.039 8.172 -0.133 19881 3829 1 15 . 1 1 38 38 GLY N N 38 107.479 107.479 107.451 0.028 19881 3830 1 15 . 1 1 38 38 GLY C C 38 176.690 176.690 176.083 0.607 19881 3831 1 15 . 1 1 38 38 GLY CA C 38 46.426 46.426 46.787 -0.361 19881 3832 1 15 . 1 1 38 38 GLY H H 38 8.145 8.145 8.030 0.115 19881 3833 1 15 . 1 1 39 39 PHE N N 39 122.726 122.726 123.031 -0.305 19881 3834 1 15 . 1 1 39 39 PHE HA H 39 4.389 4.389 4.322 0.067 19881 3835 1 15 . 1 1 39 39 PHE C C 39 176.506 176.506 177.228 -0.722 19881 3836 1 15 . 1 1 39 39 PHE CA C 39 60.235 60.235 60.426 -0.191 19881 3837 1 15 . 1 1 39 39 PHE CB C 39 39.354 39.354 39.448 -0.094 19881 3838 1 15 . 1 1 39 39 PHE H H 39 8.078 8.078 8.047 0.031 19881 3839 1 15 . 1 1 40 40 LYS N N 40 119.668 119.668 119.037 0.631 19881 3840 1 15 . 1 1 40 40 LYS HA H 40 3.925 3.925 3.852 0.073 19881 3841 1 15 . 1 1 40 40 LYS C C 40 178.275 178.275 178.747 -0.472 19881 3842 1 15 . 1 1 40 40 LYS CA C 40 58.940 58.940 59.698 -0.758 19881 3843 1 15 . 1 1 40 40 LYS CB C 40 32.523 32.523 32.355 0.168 19881 3844 1 15 . 1 1 40 40 LYS H H 40 8.192 8.192 8.983 -0.791 19881 3845 1 15 . 1 1 41 41 LYS N N 41 120.878 120.878 119.710 1.168 19881 3846 1 15 . 1 1 41 41 LYS HA H 41 4.109 4.109 4.070 0.039 19881 3847 1 15 . 1 1 41 41 LYS C C 41 177.740 177.740 178.127 -0.387 19881 3848 1 15 . 1 1 41 41 LYS CA C 41 58.105 58.105 58.911 -0.806 19881 3849 1 15 . 1 1 41 41 LYS CB C 41 32.516 32.516 32.322 0.194 19881 3850 1 15 . 1 1 41 41 LYS H H 41 7.997 7.997 8.003 -0.006 19881 3851 1 15 . 1 1 42 42 ALA N N 42 122.719 122.719 120.288 2.431 19881 3852 1 15 . 1 1 42 42 ALA HA H 42 4.213 4.213 4.053 0.160 19881 3853 1 15 . 1 1 42 42 ALA C C 42 178.450 178.450 178.824 -0.374 19881 3854 1 15 . 1 1 42 42 ALA CA C 42 53.586 53.586 54.367 -0.781 19881 3855 1 15 . 1 1 42 42 ALA CB C 42 18.919 18.919 18.883 0.036 19881 3856 1 15 . 1 1 42 42 ALA H H 42 7.900 7.900 7.446 0.454 19881 3857 1 15 . 1 1 43 43 MET N N 43 115.999 115.999 114.596 1.403 19881 3858 1 15 . 1 1 43 43 MET HA H 43 4.415 4.415 4.421 -0.006 19881 3859 1 15 . 1 1 43 43 MET C C 43 176.270 176.270 176.038 0.232 19881 3860 1 15 . 1 1 43 43 MET CA C 43 55.488 55.488 55.477 0.011 19881 3861 1 15 . 1 1 43 43 MET CB C 43 33.279 33.279 33.469 -0.191 19881 3862 1 15 . 1 1 43 43 MET H H 43 7.757 7.757 7.314 0.443 19881 3863 1 15 . 1 1 44 44 SER N N 44 115.396 115.396 116.036 -0.640 19881 3864 1 15 . 1 1 44 44 SER HA H 44 4.463 4.463 4.222 0.241 19881 3865 1 15 . 1 1 44 44 SER C C 44 173.950 173.950 174.516 -0.566 19881 3866 1 15 . 1 1 44 44 SER CA C 44 58.536 58.536 60.376 -1.840 19881 3867 1 15 . 1 1 44 44 SER CB C 44 64.380 64.380 63.718 0.662 19881 3868 1 15 . 1 1 44 44 SER H H 44 7.821 7.821 7.796 0.025 19881 3869 1 15 . 1 1 45 45 ASP N N 45 123.208 123.208 122.646 0.562 19881 3870 1 15 . 1 1 45 45 ASP HA H 45 4.576 4.576 4.343 0.233 19881 3871 1 15 . 1 1 45 45 ASP C C 45 175.990 175.990 175.879 0.111 19881 3872 1 15 . 1 1 45 45 ASP CA C 45 54.264 54.264 55.412 -1.148 19881 3873 1 15 . 1 1 45 45 ASP CB C 45 41.410 41.410 39.606 1.804 19881 3874 1 15 . 1 1 45 45 ASP H H 45 8.293 8.293 8.799 -0.506 19881 3875 1 15 . 1 1 46 46 ASP N N 46 121.430 121.430 119.832 1.598 19881 3876 1 15 . 1 1 46 46 ASP HA H 46 4.542 4.542 4.420 0.122 19881 3877 1 15 . 1 1 46 46 ASP C C 46 176.060 176.060 175.934 0.126 19881 3878 1 15 . 1 1 46 46 ASP CA C 46 54.250 54.250 53.117 1.133 19881 3879 1 15 . 1 1 46 46 ASP CB C 46 41.500 41.500 38.802 2.698 19881 3880 1 15 . 1 1 46 46 ASP H H 46 8.239 8.239 8.417 -0.178 19881 3881 1 15 . 1 1 47 47 GLU N N 47 123.031 123.031 117.999 5.032 19881 3882 1 15 . 1 1 47 47 GLU HA H 47 4.528 4.528 4.085 0.443 19881 3883 1 15 . 1 1 47 47 GLU CA C 47 54.651 54.651 56.434 -1.783 19881 3884 1 15 . 1 1 47 47 GLU CB C 47 29.910 29.910 28.287 1.623 19881 3885 1 15 . 1 1 47 47 GLU H H 47 8.163 8.163 8.173 -0.010 19881 3886 1 16 . 1 1 2 2 GLY N N 2 109.485 109.485 108.011 1.474 19881 3887 1 16 . 1 1 2 2 GLY C C 2 174.370 174.370 174.285 0.085 19881 3888 1 16 . 1 1 2 2 GLY CA C 2 46.411 46.411 45.095 1.316 19881 3889 1 16 . 1 1 2 2 GLY H H 2 8.713 8.713 8.202 0.511 19881 3890 1 16 . 1 1 3 3 GLY N N 3 108.308 108.308 109.240 -0.932 19881 3891 1 16 . 1 1 3 3 GLY C C 3 173.840 173.840 174.279 -0.439 19881 3892 1 16 . 1 1 3 3 GLY CA C 3 45.276 45.276 45.163 0.113 19881 3893 1 16 . 1 1 3 3 GLY H H 3 8.326 8.326 8.140 0.186 19881 3894 1 16 . 1 1 4 4 ILE N N 4 120.682 120.682 119.740 0.942 19881 3895 1 16 . 1 1 4 4 ILE HA H 4 4.330 4.330 4.472 -0.142 19881 3896 1 16 . 1 1 4 4 ILE CA C 4 60.610 60.610 60.540 0.070 19881 3897 1 16 . 1 1 4 4 ILE CB C 4 39.100 39.100 38.058 1.042 19881 3898 1 16 . 1 1 4 4 ILE H H 4 7.605 7.605 7.422 0.183 19881 3899 1 16 . 1 1 5 5 SER N N 5 121.157 121.157 114.194 6.963 19881 3900 1 16 . 1 1 5 5 SER HA H 5 4.676 4.676 4.018 0.658 19881 3901 1 16 . 1 1 5 5 SER C C 5 175.720 175.720 176.185 -0.465 19881 3902 1 16 . 1 1 5 5 SER CA C 5 57.000 57.000 61.195 -4.195 19881 3903 1 16 . 1 1 5 5 SER CB C 5 65.760 65.760 62.047 3.712 19881 3904 1 16 . 1 1 5 5 SER H H 5 8.167 8.167 8.694 -0.527 19881 3905 1 16 . 1 1 6 6 ILE N N 6 123.227 123.227 121.800 1.427 19881 3906 1 16 . 1 1 6 6 ILE HA H 6 3.771 3.771 4.094 -0.323 19881 3907 1 16 . 1 1 6 6 ILE C C 6 176.660 176.660 176.694 -0.034 19881 3908 1 16 . 1 1 6 6 ILE CA C 6 63.890 63.890 61.926 1.964 19881 3909 1 16 . 1 1 6 6 ILE CB C 6 37.173 37.173 38.200 -1.026 19881 3910 1 16 . 1 1 6 6 ILE H H 6 9.080 9.080 8.065 1.015 19881 3911 1 16 . 1 1 7 7 TRP N N 7 119.286 119.286 120.960 -1.674 19881 3912 1 16 . 1 1 7 7 TRP HA H 7 4.365 4.365 4.301 0.064 19881 3913 1 16 . 1 1 7 7 TRP C C 7 177.800 177.800 178.062 -0.262 19881 3914 1 16 . 1 1 7 7 TRP CA C 7 59.411 59.411 61.701 -2.290 19881 3915 1 16 . 1 1 7 7 TRP CB C 7 29.263 29.263 28.627 0.636 19881 3916 1 16 . 1 1 7 7 TRP H H 7 7.536 7.536 7.633 -0.097 19881 3917 1 16 . 1 1 8 8 GLN N N 8 117.821 117.821 118.028 -0.207 19881 3918 1 16 . 1 1 8 8 GLN HA H 8 3.732 3.732 4.126 -0.394 19881 3919 1 16 . 1 1 8 8 GLN C C 8 177.765 177.765 177.819 -0.054 19881 3920 1 16 . 1 1 8 8 GLN CA C 8 59.367 59.367 58.632 0.735 19881 3921 1 16 . 1 1 8 8 GLN CB C 8 28.094 28.094 27.682 0.412 19881 3922 1 16 . 1 1 8 8 GLN H H 8 7.132 7.132 8.877 -1.745 19881 3923 1 16 . 1 1 9 9 LEU N N 9 118.175 118.175 120.944 -2.769 19881 3924 1 16 . 1 1 9 9 LEU HA H 9 3.916 3.916 4.076 -0.160 19881 3925 1 16 . 1 1 9 9 LEU C C 9 178.096 178.096 179.355 -1.259 19881 3926 1 16 . 1 1 9 9 LEU CA C 9 58.057 58.057 57.161 0.896 19881 3927 1 16 . 1 1 9 9 LEU CB C 9 41.803 41.803 41.742 0.061 19881 3928 1 16 . 1 1 9 9 LEU H H 9 7.680 7.680 7.507 0.173 19881 3929 1 16 . 1 1 10 10 LEU N N 10 118.370 118.370 120.722 -2.352 19881 3930 1 16 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.881 0.073 19881 3931 1 16 . 1 1 10 10 LEU C C 10 177.930 177.930 179.259 -1.329 19881 3932 1 16 . 1 1 10 10 LEU CA C 10 58.215 58.215 58.289 -0.074 19881 3933 1 16 . 1 1 10 10 LEU CB C 10 41.770 41.770 41.718 0.052 19881 3934 1 16 . 1 1 10 10 LEU H H 10 8.182 8.182 8.515 -0.333 19881 3935 1 16 . 1 1 11 11 ILE N N 11 117.907 117.907 119.492 -1.585 19881 3936 1 16 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.762 -0.146 19881 3937 1 16 . 1 1 11 11 ILE C C 11 177.370 177.370 178.080 -0.710 19881 3938 1 16 . 1 1 11 11 ILE CA C 11 65.245 65.245 65.584 -0.339 19881 3939 1 16 . 1 1 11 11 ILE CB C 11 37.290 37.290 37.786 -0.496 19881 3940 1 16 . 1 1 11 11 ILE H H 11 7.676 7.676 7.752 -0.076 19881 3941 1 16 . 1 1 12 12 ILE N N 12 118.851 118.851 120.564 -1.713 19881 3942 1 16 . 1 1 12 12 ILE HA H 12 3.525 3.525 3.719 -0.194 19881 3943 1 16 . 1 1 12 12 ILE C C 12 176.908 176.908 177.864 -0.956 19881 3944 1 16 . 1 1 12 12 ILE CA C 12 65.463 65.463 63.612 1.851 19881 3945 1 16 . 1 1 12 12 ILE CB C 12 37.450 37.450 37.000 0.450 19881 3946 1 16 . 1 1 12 12 ILE H H 12 7.756 7.756 7.846 -0.090 19881 3947 1 16 . 1 1 13 13 ALA N N 13 121.114 121.114 122.409 -1.295 19881 3948 1 16 . 1 1 13 13 ALA HA H 13 3.822 3.822 4.129 -0.307 19881 3949 1 16 . 1 1 13 13 ALA C C 13 178.605 178.605 179.958 -1.353 19881 3950 1 16 . 1 1 13 13 ALA CA C 13 55.753 55.753 55.433 0.320 19881 3951 1 16 . 1 1 13 13 ALA CB C 13 17.799 17.799 18.106 -0.307 19881 3952 1 16 . 1 1 13 13 ALA H H 13 8.367 8.367 8.809 -0.442 19881 3953 1 16 . 1 1 14 14 VAL N N 14 116.560 116.560 119.819 -3.259 19881 3954 1 16 . 1 1 14 14 VAL HA H 14 3.418 3.418 3.691 -0.273 19881 3955 1 16 . 1 1 14 14 VAL C C 14 177.236 177.236 177.827 -0.591 19881 3956 1 16 . 1 1 14 14 VAL CA C 14 67.304 67.304 66.600 0.704 19881 3957 1 16 . 1 1 14 14 VAL CB C 14 31.360 31.360 31.600 -0.240 19881 3958 1 16 . 1 1 14 14 VAL H H 14 8.164 8.164 7.988 0.176 19881 3959 1 16 . 1 1 15 15 ILE N N 15 119.573 119.573 117.122 2.451 19881 3960 1 16 . 1 1 15 15 ILE HA H 15 3.517 3.517 3.741 -0.224 19881 3961 1 16 . 1 1 15 15 ILE C C 15 177.490 177.490 177.662 -0.172 19881 3962 1 16 . 1 1 15 15 ILE CA C 15 65.828 65.828 65.345 0.483 19881 3963 1 16 . 1 1 15 15 ILE CB C 15 37.364 37.364 37.329 0.035 19881 3964 1 16 . 1 1 15 15 ILE H H 15 8.045 8.045 7.671 0.374 19881 3965 1 16 . 1 1 16 16 VAL N N 16 118.777 118.777 120.823 -2.046 19881 3966 1 16 . 1 1 16 16 VAL HA H 16 3.597 3.597 3.670 -0.073 19881 3967 1 16 . 1 1 16 16 VAL C C 16 177.993 177.993 178.105 -0.112 19881 3968 1 16 . 1 1 16 16 VAL CA C 16 67.680 67.680 66.786 0.894 19881 3969 1 16 . 1 1 16 16 VAL CB C 16 31.240 31.240 31.980 -0.740 19881 3970 1 16 . 1 1 16 16 VAL H H 16 8.481 8.481 7.973 0.508 19881 3971 1 16 . 1 1 17 17 VAL N N 17 120.072 120.072 120.253 -0.181 19881 3972 1 16 . 1 1 17 17 VAL HA H 17 3.602 3.602 3.760 -0.158 19881 3973 1 16 . 1 1 17 17 VAL C C 17 178.199 178.199 177.993 0.206 19881 3974 1 16 . 1 1 17 17 VAL CA C 17 67.426 67.426 67.141 0.285 19881 3975 1 16 . 1 1 17 17 VAL CB C 17 31.187 31.187 31.581 -0.394 19881 3976 1 16 . 1 1 17 17 VAL H H 17 8.329 8.329 7.852 0.477 19881 3977 1 16 . 1 1 18 18 LEU N N 18 120.167 120.167 119.260 0.907 19881 3978 1 16 . 1 1 18 18 LEU HA H 18 4.012 4.012 3.962 0.050 19881 3979 1 16 . 1 1 18 18 LEU C C 18 178.985 178.985 179.225 -0.240 19881 3980 1 16 . 1 1 18 18 LEU CA C 18 58.130 58.130 57.799 0.331 19881 3981 1 16 . 1 1 18 18 LEU CB C 18 42.045 42.045 41.387 0.658 19881 3982 1 16 . 1 1 18 18 LEU H H 18 8.413 8.413 7.560 0.853 19881 3983 1 16 . 1 1 19 19 LEU N N 19 118.603 118.603 116.938 1.665 19881 3984 1 16 . 1 1 19 19 LEU HA H 19 3.984 3.984 4.044 -0.060 19881 3985 1 16 . 1 1 19 19 LEU C C 19 178.510 178.510 178.896 -0.386 19881 3986 1 16 . 1 1 19 19 LEU CA C 19 57.831 57.831 57.534 0.297 19881 3987 1 16 . 1 1 19 19 LEU CB C 19 42.406 42.406 41.357 1.049 19881 3988 1 16 . 1 1 19 19 LEU H H 19 8.420 8.420 7.726 0.694 19881 3989 1 16 . 1 1 20 20 PHE N N 20 116.154 116.154 118.940 -2.786 19881 3990 1 16 . 1 1 20 20 PHE HA H 20 4.508 4.508 4.291 0.217 19881 3991 1 16 . 1 1 20 20 PHE C C 20 178.062 178.062 177.271 0.791 19881 3992 1 16 . 1 1 20 20 PHE CA C 20 60.202 60.202 60.198 0.004 19881 3993 1 16 . 1 1 20 20 PHE CB C 20 40.126 40.126 39.710 0.416 19881 3994 1 16 . 1 1 20 20 PHE H H 20 8.451 8.451 8.329 0.122 19881 3995 1 16 . 1 1 21 21 GLY N N 21 108.705 108.705 105.486 3.219 19881 3996 1 16 . 1 1 21 21 GLY C C 21 173.997 173.997 174.413 -0.416 19881 3997 1 16 . 1 1 21 21 GLY CA C 21 46.189 46.189 45.254 0.935 19881 3998 1 16 . 1 1 21 21 GLY H H 21 8.754 8.754 8.130 0.624 19881 3999 1 16 . 1 1 22 22 THR N N 22 111.556 111.556 109.518 2.038 19881 4000 1 16 . 1 1 22 22 THR HA H 22 4.080 4.080 3.895 0.185 19881 4001 1 16 . 1 1 22 22 THR CA C 22 64.722 64.722 63.439 1.283 19881 4002 1 16 . 1 1 22 22 THR CB C 22 69.150 69.150 67.670 1.480 19881 4003 1 16 . 1 1 22 22 THR H H 22 8.190 8.190 7.902 0.288 19881 4004 1 16 . 1 1 23 23 LYS N N 23 121.733 121.733 118.454 3.279 19881 4005 1 16 . 1 1 23 23 LYS HA H 23 4.175 4.175 4.246 -0.071 19881 4006 1 16 . 1 1 23 23 LYS C C 23 178.622 178.622 177.328 1.294 19881 4007 1 16 . 1 1 23 23 LYS CA C 23 58.378 58.378 57.709 0.669 19881 4008 1 16 . 1 1 23 23 LYS CB C 23 31.639 31.639 32.800 -1.161 19881 4009 1 16 . 1 1 23 23 LYS H H 23 8.165 8.165 8.251 -0.086 19881 4010 1 16 . 1 1 24 24 LYS N N 24 118.854 118.854 120.210 -1.356 19881 4011 1 16 . 1 1 24 24 LYS HA H 24 4.246 4.246 4.312 -0.066 19881 4012 1 16 . 1 1 24 24 LYS C C 24 177.705 177.705 178.192 -0.487 19881 4013 1 16 . 1 1 24 24 LYS CA C 24 57.026 57.026 58.233 -1.206 19881 4014 1 16 . 1 1 24 24 LYS CB C 24 32.471 32.471 32.002 0.469 19881 4015 1 16 . 1 1 24 24 LYS H H 24 8.144 8.144 7.857 0.287 19881 4016 1 16 . 1 1 25 25 LEU N N 25 118.583 118.583 119.355 -0.772 19881 4017 1 16 . 1 1 25 25 LEU HA H 25 4.148 4.148 3.915 0.233 19881 4018 1 16 . 1 1 25 25 LEU C C 25 177.815 177.815 178.742 -0.927 19881 4019 1 16 . 1 1 25 25 LEU CA C 25 56.511 56.511 58.381 -1.870 19881 4020 1 16 . 1 1 25 25 LEU CB C 25 41.955 41.955 40.882 1.073 19881 4021 1 16 . 1 1 25 25 LEU H H 25 7.820 7.820 8.153 -0.333 19881 4022 1 16 . 1 1 26 26 GLY N N 26 106.160 106.160 102.716 3.444 19881 4023 1 16 . 1 1 26 26 GLY C C 26 175.013 175.013 175.572 -0.559 19881 4024 1 16 . 1 1 26 26 GLY CA C 26 46.414 46.414 46.455 -0.041 19881 4025 1 16 . 1 1 26 26 GLY H H 26 8.146 8.146 8.104 0.042 19881 4026 1 16 . 1 1 27 27 SER N N 27 116.361 116.361 116.207 0.154 19881 4027 1 16 . 1 1 27 27 SER HA H 27 4.441 4.441 4.624 -0.183 19881 4028 1 16 . 1 1 27 27 SER C C 27 175.407 175.407 175.870 -0.463 19881 4029 1 16 . 1 1 27 27 SER CA C 27 59.665 59.665 59.700 -0.035 19881 4030 1 16 . 1 1 27 27 SER CB C 27 63.672 63.672 63.833 -0.161 19881 4031 1 16 . 1 1 27 27 SER H H 27 8.046 8.046 7.907 0.139 19881 4032 1 16 . 1 1 28 28 ILE N N 28 121.108 121.108 116.061 5.047 19881 4033 1 16 . 1 1 28 28 ILE HA H 28 4.090 4.090 4.628 -0.538 19881 4034 1 16 . 1 1 28 28 ILE C C 28 176.733 176.733 177.297 -0.564 19881 4035 1 16 . 1 1 28 28 ILE CA C 28 62.883 62.883 62.837 0.046 19881 4036 1 16 . 1 1 28 28 ILE CB C 28 38.348 38.348 38.546 -0.198 19881 4037 1 16 . 1 1 28 28 ILE H H 28 7.847 7.847 8.672 -0.825 19881 4038 1 16 . 1 1 29 29 GLY N N 29 109.304 109.304 109.030 0.274 19881 4039 1 16 . 1 1 29 29 GLY C C 29 174.534 174.534 176.473 -1.939 19881 4040 1 16 . 1 1 29 29 GLY CA C 29 46.278 46.278 47.610 -1.332 19881 4041 1 16 . 1 1 29 29 GLY H H 29 8.329 8.329 8.261 0.068 19881 4042 1 16 . 1 1 30 30 SER N N 30 115.814 115.814 116.486 -0.672 19881 4043 1 16 . 1 1 30 30 SER HA H 30 4.301 4.301 4.247 0.054 19881 4044 1 16 . 1 1 30 30 SER C C 30 175.445 175.445 176.340 -0.895 19881 4045 1 16 . 1 1 30 30 SER CA C 30 60.378 60.378 61.722 -1.344 19881 4046 1 16 . 1 1 30 30 SER CB C 30 63.575 63.575 62.716 0.859 19881 4047 1 16 . 1 1 30 30 SER H H 30 8.026 8.026 8.231 -0.205 19881 4048 1 16 . 1 1 31 31 ASP N N 31 122.351 122.351 122.843 -0.492 19881 4049 1 16 . 1 1 31 31 ASP HA H 31 4.648 4.648 4.465 0.183 19881 4050 1 16 . 1 1 31 31 ASP C C 31 177.501 177.501 178.656 -1.155 19881 4051 1 16 . 1 1 31 31 ASP CA C 31 55.138 55.138 57.011 -1.873 19881 4052 1 16 . 1 1 31 31 ASP CB C 31 40.847 40.847 40.642 0.205 19881 4053 1 16 . 1 1 31 31 ASP H H 31 8.261 8.261 7.707 0.554 19881 4054 1 16 . 1 1 32 32 LEU N N 32 123.303 123.303 120.870 2.433 19881 4055 1 16 . 1 1 32 32 LEU HA H 32 4.146 4.146 4.071 0.075 19881 4056 1 16 . 1 1 32 32 LEU C C 32 178.653 178.653 179.239 -0.586 19881 4057 1 16 . 1 1 32 32 LEU CA C 32 57.539 57.539 57.944 -0.405 19881 4058 1 16 . 1 1 32 32 LEU CB C 32 42.175 42.175 41.450 0.725 19881 4059 1 16 . 1 1 32 32 LEU H H 32 8.400 8.400 8.186 0.214 19881 4060 1 16 . 1 1 33 33 GLY N N 33 107.221 107.221 106.655 0.566 19881 4061 1 16 . 1 1 33 33 GLY C C 33 175.646 175.646 175.527 0.119 19881 4062 1 16 . 1 1 33 33 GLY CA C 33 47.342 47.342 47.257 0.085 19881 4063 1 16 . 1 1 33 33 GLY H H 33 8.582 8.582 8.813 -0.231 19881 4064 1 16 . 1 1 34 34 ALA N N 34 123.643 123.643 123.639 0.004 19881 4065 1 16 . 1 1 34 34 ALA HA H 34 4.165 4.165 4.164 0.001 19881 4066 1 16 . 1 1 34 34 ALA C C 34 180.302 180.302 179.495 0.807 19881 4067 1 16 . 1 1 34 34 ALA CA C 34 54.422 54.422 54.757 -0.335 19881 4068 1 16 . 1 1 34 34 ALA CB C 34 18.645 18.645 18.394 0.251 19881 4069 1 16 . 1 1 34 34 ALA H H 34 8.012 8.012 7.782 0.230 19881 4070 1 16 . 1 1 35 35 SER N N 35 115.942 115.942 114.828 1.114 19881 4071 1 16 . 1 1 35 35 SER HA H 35 4.342 4.342 4.206 0.136 19881 4072 1 16 . 1 1 35 35 SER C C 35 176.430 176.430 176.924 -0.494 19881 4073 1 16 . 1 1 35 35 SER CA C 35 61.552 61.552 61.685 -0.133 19881 4074 1 16 . 1 1 35 35 SER CB C 35 63.404 63.404 63.244 0.160 19881 4075 1 16 . 1 1 35 35 SER H H 35 8.021 8.021 8.288 -0.267 19881 4076 1 16 . 1 1 36 36 ILE N N 36 121.829 121.829 122.486 -0.657 19881 4077 1 16 . 1 1 36 36 ILE HA H 36 3.855 3.855 3.877 -0.022 19881 4078 1 16 . 1 1 36 36 ILE C C 36 177.310 177.310 177.285 0.025 19881 4079 1 16 . 1 1 36 36 ILE CA C 36 64.467 64.467 63.424 1.043 19881 4080 1 16 . 1 1 36 36 ILE CB C 36 37.790 37.790 37.615 0.175 19881 4081 1 16 . 1 1 36 36 ILE H H 36 8.170 8.170 8.424 -0.254 19881 4082 1 16 . 1 1 37 37 LYS N N 37 120.804 120.804 120.957 -0.153 19881 4083 1 16 . 1 1 37 37 LYS HA H 37 3.998 3.998 3.975 0.023 19881 4084 1 16 . 1 1 37 37 LYS C C 37 178.932 178.932 179.361 -0.429 19881 4085 1 16 . 1 1 37 37 LYS CA C 37 59.665 59.665 60.440 -0.775 19881 4086 1 16 . 1 1 37 37 LYS CB C 37 32.400 32.400 32.157 0.243 19881 4087 1 16 . 1 1 37 37 LYS H H 37 8.039 8.039 8.036 0.003 19881 4088 1 16 . 1 1 38 38 GLY N N 38 107.479 107.479 106.593 0.886 19881 4089 1 16 . 1 1 38 38 GLY C C 38 176.690 176.690 176.203 0.487 19881 4090 1 16 . 1 1 38 38 GLY CA C 38 46.426 46.426 46.997 -0.571 19881 4091 1 16 . 1 1 38 38 GLY H H 38 8.145 8.145 8.329 -0.184 19881 4092 1 16 . 1 1 39 39 PHE N N 39 122.726 122.726 123.099 -0.373 19881 4093 1 16 . 1 1 39 39 PHE HA H 39 4.389 4.389 4.313 0.076 19881 4094 1 16 . 1 1 39 39 PHE C C 39 176.506 176.506 177.237 -0.731 19881 4095 1 16 . 1 1 39 39 PHE CA C 39 60.235 60.235 60.546 -0.311 19881 4096 1 16 . 1 1 39 39 PHE CB C 39 39.354 39.354 39.443 -0.089 19881 4097 1 16 . 1 1 39 39 PHE H H 39 8.078 8.078 8.036 0.042 19881 4098 1 16 . 1 1 40 40 LYS N N 40 119.668 119.668 119.193 0.475 19881 4099 1 16 . 1 1 40 40 LYS HA H 40 3.925 3.925 3.828 0.097 19881 4100 1 16 . 1 1 40 40 LYS C C 40 178.275 178.275 178.696 -0.421 19881 4101 1 16 . 1 1 40 40 LYS CA C 40 58.940 58.940 59.727 -0.787 19881 4102 1 16 . 1 1 40 40 LYS CB C 40 32.523 32.523 32.357 0.166 19881 4103 1 16 . 1 1 40 40 LYS H H 40 8.192 8.192 9.008 -0.816 19881 4104 1 16 . 1 1 41 41 LYS N N 41 120.878 120.878 119.819 1.059 19881 4105 1 16 . 1 1 41 41 LYS HA H 41 4.109 4.109 4.037 0.072 19881 4106 1 16 . 1 1 41 41 LYS C C 41 177.740 177.740 178.267 -0.527 19881 4107 1 16 . 1 1 41 41 LYS CA C 41 58.105 58.105 59.023 -0.918 19881 4108 1 16 . 1 1 41 41 LYS CB C 41 32.516 32.516 32.426 0.090 19881 4109 1 16 . 1 1 41 41 LYS H H 41 7.997 7.997 8.126 -0.129 19881 4110 1 16 . 1 1 42 42 ALA N N 42 122.719 122.719 120.864 1.855 19881 4111 1 16 . 1 1 42 42 ALA HA H 42 4.213 4.213 4.019 0.194 19881 4112 1 16 . 1 1 42 42 ALA C C 42 178.450 178.450 178.935 -0.485 19881 4113 1 16 . 1 1 42 42 ALA CA C 42 53.586 53.586 54.363 -0.777 19881 4114 1 16 . 1 1 42 42 ALA CB C 42 18.919 18.919 18.953 -0.034 19881 4115 1 16 . 1 1 42 42 ALA H H 42 7.900 7.900 7.671 0.229 19881 4116 1 16 . 1 1 43 43 MET N N 43 115.999 115.999 117.094 -1.095 19881 4117 1 16 . 1 1 43 43 MET HA H 43 4.415 4.415 4.312 0.103 19881 4118 1 16 . 1 1 43 43 MET C C 43 176.270 176.270 177.222 -0.952 19881 4119 1 16 . 1 1 43 43 MET CA C 43 55.488 55.488 56.119 -0.631 19881 4120 1 16 . 1 1 43 43 MET CB C 43 33.279 33.279 33.049 0.230 19881 4121 1 16 . 1 1 43 43 MET H H 43 7.757 7.757 7.765 -0.008 19881 4122 1 16 . 1 1 44 44 SER N N 44 115.396 115.396 115.139 0.257 19881 4123 1 16 . 1 1 44 44 SER HA H 44 4.463 4.463 4.035 0.428 19881 4124 1 16 . 1 1 44 44 SER C C 44 173.950 173.950 173.870 0.080 19881 4125 1 16 . 1 1 44 44 SER CA C 44 58.536 58.536 58.952 -0.416 19881 4126 1 16 . 1 1 44 44 SER CB C 44 64.380 64.380 62.948 1.432 19881 4127 1 16 . 1 1 44 44 SER H H 44 7.821 7.821 8.195 -0.374 19881 4128 1 16 . 1 1 45 45 ASP N N 45 123.208 123.208 120.713 2.495 19881 4129 1 16 . 1 1 45 45 ASP HA H 45 4.576 4.576 4.719 -0.143 19881 4130 1 16 . 1 1 45 45 ASP C C 45 175.990 175.990 175.375 0.615 19881 4131 1 16 . 1 1 45 45 ASP CA C 45 54.264 54.264 54.050 0.214 19881 4132 1 16 . 1 1 45 45 ASP CB C 45 41.410 41.410 40.995 0.415 19881 4133 1 16 . 1 1 45 45 ASP H H 45 8.293 8.293 8.285 0.008 19881 4134 1 16 . 1 1 46 46 ASP N N 46 121.430 121.430 126.689 -5.259 19881 4135 1 16 . 1 1 46 46 ASP HA H 46 4.542 4.542 4.628 -0.086 19881 4136 1 16 . 1 1 46 46 ASP C C 46 176.060 176.060 175.453 0.607 19881 4137 1 16 . 1 1 46 46 ASP CA C 46 54.250 54.250 53.041 1.209 19881 4138 1 16 . 1 1 46 46 ASP CB C 46 41.500 41.500 40.884 0.616 19881 4139 1 16 . 1 1 46 46 ASP H H 46 8.239 8.239 8.598 -0.359 19881 4140 1 16 . 1 1 47 47 GLU N N 47 123.031 123.031 119.296 3.735 19881 4141 1 16 . 1 1 47 47 GLU HA H 47 4.528 4.528 4.068 0.460 19881 4142 1 16 . 1 1 47 47 GLU CA C 47 54.651 54.651 56.511 -1.860 19881 4143 1 16 . 1 1 47 47 GLU CB C 47 29.910 29.910 28.056 1.854 19881 4144 1 16 . 1 1 47 47 GLU H H 47 8.163 8.163 8.192 -0.029 19881 4145 1 17 . 1 1 2 2 GLY N N 2 109.485 109.485 107.667 1.818 19881 4146 1 17 . 1 1 2 2 GLY C C 2 174.370 174.370 174.653 -0.283 19881 4147 1 17 . 1 1 2 2 GLY CA C 2 46.411 46.411 45.336 1.075 19881 4148 1 17 . 1 1 2 2 GLY H H 2 8.713 8.713 8.104 0.609 19881 4149 1 17 . 1 1 3 3 GLY N N 3 108.308 108.308 108.673 -0.365 19881 4150 1 17 . 1 1 3 3 GLY C C 3 173.840 173.840 175.753 -1.913 19881 4151 1 17 . 1 1 3 3 GLY CA C 3 45.276 45.276 44.367 0.909 19881 4152 1 17 . 1 1 3 3 GLY H H 3 8.326 8.326 8.049 0.277 19881 4153 1 17 . 1 1 4 4 ILE N N 4 120.682 120.682 118.974 1.708 19881 4154 1 17 . 1 1 4 4 ILE HA H 4 4.330 4.330 3.943 0.387 19881 4155 1 17 . 1 1 4 4 ILE CA C 4 60.610 60.610 62.950 -2.340 19881 4156 1 17 . 1 1 4 4 ILE CB C 4 39.100 39.100 38.321 0.779 19881 4157 1 17 . 1 1 4 4 ILE H H 4 7.605 7.605 7.922 -0.317 19881 4158 1 17 . 1 1 5 5 SER N N 5 121.157 121.157 110.712 10.445 19881 4159 1 17 . 1 1 5 5 SER HA H 5 4.676 4.676 4.502 0.174 19881 4160 1 17 . 1 1 5 5 SER C C 5 175.720 175.720 174.500 1.220 19881 4161 1 17 . 1 1 5 5 SER CA C 5 57.000 57.000 57.441 -0.441 19881 4162 1 17 . 1 1 5 5 SER CB C 5 65.760 65.760 64.306 1.454 19881 4163 1 17 . 1 1 5 5 SER H H 5 8.167 8.167 7.315 0.852 19881 4164 1 17 . 1 1 6 6 ILE N N 6 123.227 123.227 123.359 -0.132 19881 4165 1 17 . 1 1 6 6 ILE HA H 6 3.771 3.771 4.185 -0.414 19881 4166 1 17 . 1 1 6 6 ILE C C 6 176.660 176.660 176.716 -0.056 19881 4167 1 17 . 1 1 6 6 ILE CA C 6 63.890 63.890 63.683 0.207 19881 4168 1 17 . 1 1 6 6 ILE CB C 6 37.173 37.173 38.678 -1.505 19881 4169 1 17 . 1 1 6 6 ILE H H 6 9.080 9.080 8.523 0.557 19881 4170 1 17 . 1 1 7 7 TRP N N 7 119.286 119.286 121.319 -2.033 19881 4171 1 17 . 1 1 7 7 TRP HA H 7 4.365 4.365 4.378 -0.013 19881 4172 1 17 . 1 1 7 7 TRP C C 7 177.800 177.800 177.579 0.221 19881 4173 1 17 . 1 1 7 7 TRP CA C 7 59.411 59.411 60.864 -1.453 19881 4174 1 17 . 1 1 7 7 TRP CB C 7 29.263 29.263 28.721 0.542 19881 4175 1 17 . 1 1 7 7 TRP H H 7 7.536 7.536 8.432 -0.896 19881 4176 1 17 . 1 1 8 8 GLN N N 8 117.821 117.821 116.674 1.147 19881 4177 1 17 . 1 1 8 8 GLN HA H 8 3.732 3.732 4.086 -0.354 19881 4178 1 17 . 1 1 8 8 GLN C C 8 177.765 177.765 178.344 -0.579 19881 4179 1 17 . 1 1 8 8 GLN CA C 8 59.367 59.367 58.989 0.378 19881 4180 1 17 . 1 1 8 8 GLN CB C 8 28.094 28.094 27.697 0.397 19881 4181 1 17 . 1 1 8 8 GLN H H 8 7.132 7.132 8.850 -1.718 19881 4182 1 17 . 1 1 9 9 LEU N N 9 118.175 118.175 120.903 -2.728 19881 4183 1 17 . 1 1 9 9 LEU HA H 9 3.916 3.916 4.216 -0.300 19881 4184 1 17 . 1 1 9 9 LEU C C 9 178.096 178.096 178.468 -0.372 19881 4185 1 17 . 1 1 9 9 LEU CA C 9 58.057 58.057 57.684 0.372 19881 4186 1 17 . 1 1 9 9 LEU CB C 9 41.803 41.803 41.246 0.557 19881 4187 1 17 . 1 1 9 9 LEU H H 9 7.680 7.680 7.313 0.367 19881 4188 1 17 . 1 1 10 10 LEU N N 10 118.370 118.370 121.001 -2.631 19881 4189 1 17 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.829 0.125 19881 4190 1 17 . 1 1 10 10 LEU C C 10 177.930 177.930 178.782 -0.852 19881 4191 1 17 . 1 1 10 10 LEU CA C 10 58.215 58.215 58.153 0.062 19881 4192 1 17 . 1 1 10 10 LEU CB C 10 41.770 41.770 41.602 0.168 19881 4193 1 17 . 1 1 10 10 LEU H H 10 8.182 8.182 8.280 -0.098 19881 4194 1 17 . 1 1 11 11 ILE N N 11 117.907 117.907 119.353 -1.446 19881 4195 1 17 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.474 0.142 19881 4196 1 17 . 1 1 11 11 ILE C C 11 177.370 177.370 177.847 -0.477 19881 4197 1 17 . 1 1 11 11 ILE CA C 11 65.245 65.245 65.512 -0.267 19881 4198 1 17 . 1 1 11 11 ILE CB C 11 37.290 37.290 37.657 -0.367 19881 4199 1 17 . 1 1 11 11 ILE H H 11 7.676 7.676 7.566 0.110 19881 4200 1 17 . 1 1 12 12 ILE N N 12 118.851 118.851 120.168 -1.317 19881 4201 1 17 . 1 1 12 12 ILE HA H 12 3.525 3.525 3.526 -0.001 19881 4202 1 17 . 1 1 12 12 ILE C C 12 176.908 176.908 177.714 -0.806 19881 4203 1 17 . 1 1 12 12 ILE CA C 12 65.463 65.463 65.736 -0.273 19881 4204 1 17 . 1 1 12 12 ILE CB C 12 37.450 37.450 37.568 -0.118 19881 4205 1 17 . 1 1 12 12 ILE H H 12 7.756 7.756 7.502 0.254 19881 4206 1 17 . 1 1 13 13 ALA N N 13 121.114 121.114 122.456 -1.342 19881 4207 1 17 . 1 1 13 13 ALA HA H 13 3.822 3.822 4.007 -0.185 19881 4208 1 17 . 1 1 13 13 ALA C C 13 178.605 178.605 179.610 -1.005 19881 4209 1 17 . 1 1 13 13 ALA CA C 13 55.753 55.753 55.353 0.400 19881 4210 1 17 . 1 1 13 13 ALA CB C 13 17.799 17.799 18.041 -0.242 19881 4211 1 17 . 1 1 13 13 ALA H H 13 8.367 8.367 8.608 -0.241 19881 4212 1 17 . 1 1 14 14 VAL N N 14 116.560 116.560 119.400 -2.840 19881 4213 1 17 . 1 1 14 14 VAL HA H 14 3.418 3.418 3.525 -0.107 19881 4214 1 17 . 1 1 14 14 VAL C C 14 177.236 177.236 177.964 -0.728 19881 4215 1 17 . 1 1 14 14 VAL CA C 14 67.304 67.304 66.843 0.461 19881 4216 1 17 . 1 1 14 14 VAL CB C 14 31.360 31.360 31.789 -0.429 19881 4217 1 17 . 1 1 14 14 VAL H H 14 8.164 8.164 7.764 0.400 19881 4218 1 17 . 1 1 15 15 ILE N N 15 119.573 119.573 120.123 -0.550 19881 4219 1 17 . 1 1 15 15 ILE HA H 15 3.517 3.517 3.657 -0.140 19881 4220 1 17 . 1 1 15 15 ILE C C 15 177.490 177.490 178.136 -0.646 19881 4221 1 17 . 1 1 15 15 ILE CA C 15 65.828 65.828 65.608 0.220 19881 4222 1 17 . 1 1 15 15 ILE CB C 15 37.364 37.364 37.658 -0.294 19881 4223 1 17 . 1 1 15 15 ILE H H 15 8.045 8.045 7.782 0.263 19881 4224 1 17 . 1 1 16 16 VAL N N 16 118.777 118.777 120.347 -1.570 19881 4225 1 17 . 1 1 16 16 VAL HA H 16 3.597 3.597 3.912 -0.315 19881 4226 1 17 . 1 1 16 16 VAL C C 16 177.993 177.993 178.155 -0.162 19881 4227 1 17 . 1 1 16 16 VAL CA C 16 67.680 67.680 67.303 0.377 19881 4228 1 17 . 1 1 16 16 VAL CB C 16 31.240 31.240 31.425 -0.185 19881 4229 1 17 . 1 1 16 16 VAL H H 16 8.481 8.481 8.371 0.110 19881 4230 1 17 . 1 1 17 17 VAL N N 17 120.072 120.072 119.851 0.221 19881 4231 1 17 . 1 1 17 17 VAL HA H 17 3.602 3.602 3.719 -0.117 19881 4232 1 17 . 1 1 17 17 VAL C C 17 178.199 178.199 178.349 -0.150 19881 4233 1 17 . 1 1 17 17 VAL CA C 17 67.426 67.426 66.680 0.746 19881 4234 1 17 . 1 1 17 17 VAL CB C 17 31.187 31.187 31.084 0.103 19881 4235 1 17 . 1 1 17 17 VAL H H 17 8.329 8.329 8.190 0.139 19881 4236 1 17 . 1 1 18 18 LEU N N 18 120.167 120.167 118.281 1.886 19881 4237 1 17 . 1 1 18 18 LEU HA H 18 4.012 4.012 4.228 -0.216 19881 4238 1 17 . 1 1 18 18 LEU C C 18 178.985 178.985 179.236 -0.251 19881 4239 1 17 . 1 1 18 18 LEU CA C 18 58.130 58.130 58.342 -0.212 19881 4240 1 17 . 1 1 18 18 LEU CB C 18 42.045 42.045 41.019 1.026 19881 4241 1 17 . 1 1 18 18 LEU H H 18 8.413 8.413 7.726 0.687 19881 4242 1 17 . 1 1 19 19 LEU N N 19 118.603 118.603 119.725 -1.122 19881 4243 1 17 . 1 1 19 19 LEU HA H 19 3.984 3.984 4.009 -0.025 19881 4244 1 17 . 1 1 19 19 LEU C C 19 178.510 178.510 178.542 -0.032 19881 4245 1 17 . 1 1 19 19 LEU CA C 19 57.831 57.831 57.743 0.088 19881 4246 1 17 . 1 1 19 19 LEU CB C 19 42.406 42.406 41.453 0.953 19881 4247 1 17 . 1 1 19 19 LEU H H 19 8.420 8.420 8.373 0.047 19881 4248 1 17 . 1 1 20 20 PHE N N 20 116.154 116.154 116.843 -0.689 19881 4249 1 17 . 1 1 20 20 PHE HA H 20 4.508 4.508 4.294 0.214 19881 4250 1 17 . 1 1 20 20 PHE C C 20 178.062 178.062 176.608 1.454 19881 4251 1 17 . 1 1 20 20 PHE CA C 20 60.202 60.202 60.551 -0.349 19881 4252 1 17 . 1 1 20 20 PHE CB C 20 40.126 40.126 39.656 0.470 19881 4253 1 17 . 1 1 20 20 PHE H H 20 8.451 8.451 8.639 -0.188 19881 4254 1 17 . 1 1 21 21 GLY N N 21 108.705 108.705 104.946 3.759 19881 4255 1 17 . 1 1 21 21 GLY C C 21 173.997 173.997 174.399 -0.402 19881 4256 1 17 . 1 1 21 21 GLY CA C 21 46.189 46.189 44.972 1.217 19881 4257 1 17 . 1 1 21 21 GLY H H 21 8.754 8.754 7.984 0.770 19881 4258 1 17 . 1 1 22 22 THR N N 22 111.556 111.556 109.610 1.946 19881 4259 1 17 . 1 1 22 22 THR HA H 22 4.080 4.080 3.881 0.199 19881 4260 1 17 . 1 1 22 22 THR CA C 22 64.722 64.722 63.210 1.512 19881 4261 1 17 . 1 1 22 22 THR CB C 22 69.150 69.150 67.824 1.326 19881 4262 1 17 . 1 1 22 22 THR H H 22 8.190 8.190 7.983 0.207 19881 4263 1 17 . 1 1 23 23 LYS N N 23 121.733 121.733 117.747 3.986 19881 4264 1 17 . 1 1 23 23 LYS HA H 23 4.175 4.175 4.470 -0.295 19881 4265 1 17 . 1 1 23 23 LYS C C 23 178.622 178.622 176.760 1.862 19881 4266 1 17 . 1 1 23 23 LYS CA C 23 58.378 58.378 56.966 1.412 19881 4267 1 17 . 1 1 23 23 LYS CB C 23 31.639 31.639 33.110 -1.471 19881 4268 1 17 . 1 1 23 23 LYS H H 23 8.165 8.165 8.498 -0.333 19881 4269 1 17 . 1 1 24 24 LYS N N 24 118.854 118.854 122.137 -3.283 19881 4270 1 17 . 1 1 24 24 LYS HA H 24 4.246 4.246 4.401 -0.155 19881 4271 1 17 . 1 1 24 24 LYS C C 24 177.705 177.705 178.057 -0.352 19881 4272 1 17 . 1 1 24 24 LYS CA C 24 57.026 57.026 58.247 -1.221 19881 4273 1 17 . 1 1 24 24 LYS CB C 24 32.471 32.471 32.164 0.306 19881 4274 1 17 . 1 1 24 24 LYS H H 24 8.144 8.144 8.002 0.142 19881 4275 1 17 . 1 1 25 25 LEU N N 25 118.583 118.583 119.392 -0.809 19881 4276 1 17 . 1 1 25 25 LEU HA H 25 4.148 4.148 4.163 -0.015 19881 4277 1 17 . 1 1 25 25 LEU C C 25 177.815 177.815 179.178 -1.363 19881 4278 1 17 . 1 1 25 25 LEU CA C 25 56.511 56.511 57.908 -1.397 19881 4279 1 17 . 1 1 25 25 LEU CB C 25 41.955 41.955 40.805 1.150 19881 4280 1 17 . 1 1 25 25 LEU H H 25 7.820 7.820 7.984 -0.164 19881 4281 1 17 . 1 1 26 26 GLY N N 26 106.160 106.160 104.427 1.733 19881 4282 1 17 . 1 1 26 26 GLY C C 26 175.013 175.013 175.528 -0.515 19881 4283 1 17 . 1 1 26 26 GLY CA C 26 46.414 46.414 46.647 -0.233 19881 4284 1 17 . 1 1 26 26 GLY H H 26 8.146 8.146 8.314 -0.168 19881 4285 1 17 . 1 1 27 27 SER N N 27 116.361 116.361 115.669 0.692 19881 4286 1 17 . 1 1 27 27 SER HA H 27 4.441 4.441 4.430 0.011 19881 4287 1 17 . 1 1 27 27 SER C C 27 175.407 175.407 176.138 -0.731 19881 4288 1 17 . 1 1 27 27 SER CA C 27 59.665 59.665 60.576 -0.911 19881 4289 1 17 . 1 1 27 27 SER CB C 27 63.672 63.672 63.620 0.052 19881 4290 1 17 . 1 1 27 27 SER H H 27 8.046 8.046 7.320 0.726 19881 4291 1 17 . 1 1 28 28 ILE N N 28 121.108 121.108 114.577 6.531 19881 4292 1 17 . 1 1 28 28 ILE HA H 28 4.090 4.090 4.484 -0.394 19881 4293 1 17 . 1 1 28 28 ILE C C 28 176.733 176.733 177.362 -0.629 19881 4294 1 17 . 1 1 28 28 ILE CA C 28 62.883 62.883 62.959 -0.076 19881 4295 1 17 . 1 1 28 28 ILE CB C 28 38.348 38.348 38.250 0.098 19881 4296 1 17 . 1 1 28 28 ILE H H 28 7.847 7.847 8.262 -0.415 19881 4297 1 17 . 1 1 29 29 GLY N N 29 109.304 109.304 108.792 0.512 19881 4298 1 17 . 1 1 29 29 GLY C C 29 174.534 174.534 176.242 -1.708 19881 4299 1 17 . 1 1 29 29 GLY CA C 29 46.278 46.278 47.571 -1.293 19881 4300 1 17 . 1 1 29 29 GLY H H 29 8.329 8.329 8.618 -0.289 19881 4301 1 17 . 1 1 30 30 SER N N 30 115.814 115.814 115.870 -0.056 19881 4302 1 17 . 1 1 30 30 SER HA H 30 4.301 4.301 4.240 0.061 19881 4303 1 17 . 1 1 30 30 SER C C 30 175.445 175.445 176.463 -1.018 19881 4304 1 17 . 1 1 30 30 SER CA C 30 60.378 60.378 61.633 -1.254 19881 4305 1 17 . 1 1 30 30 SER CB C 30 63.575 63.575 63.091 0.484 19881 4306 1 17 . 1 1 30 30 SER H H 30 8.026 8.026 8.005 0.021 19881 4307 1 17 . 1 1 31 31 ASP N N 31 122.351 122.351 122.312 0.039 19881 4308 1 17 . 1 1 31 31 ASP HA H 31 4.648 4.648 4.530 0.118 19881 4309 1 17 . 1 1 31 31 ASP C C 31 177.501 177.501 178.626 -1.125 19881 4310 1 17 . 1 1 31 31 ASP CA C 31 55.138 55.138 56.888 -1.750 19881 4311 1 17 . 1 1 31 31 ASP CB C 31 40.847 40.847 40.616 0.231 19881 4312 1 17 . 1 1 31 31 ASP H H 31 8.261 8.261 7.719 0.542 19881 4313 1 17 . 1 1 32 32 LEU N N 32 123.303 123.303 120.780 2.523 19881 4314 1 17 . 1 1 32 32 LEU HA H 32 4.146 4.146 4.111 0.035 19881 4315 1 17 . 1 1 32 32 LEU C C 32 178.653 178.653 179.199 -0.546 19881 4316 1 17 . 1 1 32 32 LEU CA C 32 57.539 57.539 57.919 -0.380 19881 4317 1 17 . 1 1 32 32 LEU CB C 32 42.175 42.175 41.508 0.667 19881 4318 1 17 . 1 1 32 32 LEU H H 32 8.400 8.400 8.055 0.345 19881 4319 1 17 . 1 1 33 33 GLY N N 33 107.221 107.221 106.653 0.568 19881 4320 1 17 . 1 1 33 33 GLY C C 33 175.646 175.646 175.504 0.142 19881 4321 1 17 . 1 1 33 33 GLY CA C 33 47.342 47.342 47.270 0.072 19881 4322 1 17 . 1 1 33 33 GLY H H 33 8.582 8.582 8.794 -0.212 19881 4323 1 17 . 1 1 34 34 ALA N N 34 123.643 123.643 123.606 0.037 19881 4324 1 17 . 1 1 34 34 ALA HA H 34 4.165 4.165 4.174 -0.009 19881 4325 1 17 . 1 1 34 34 ALA C C 34 180.302 180.302 179.443 0.859 19881 4326 1 17 . 1 1 34 34 ALA CA C 34 54.422 54.422 54.770 -0.348 19881 4327 1 17 . 1 1 34 34 ALA CB C 34 18.645 18.645 18.294 0.351 19881 4328 1 17 . 1 1 34 34 ALA H H 34 8.012 8.012 7.730 0.282 19881 4329 1 17 . 1 1 35 35 SER N N 35 115.942 115.942 115.094 0.848 19881 4330 1 17 . 1 1 35 35 SER HA H 35 4.342 4.342 4.231 0.111 19881 4331 1 17 . 1 1 35 35 SER C C 35 176.430 176.430 176.934 -0.504 19881 4332 1 17 . 1 1 35 35 SER CA C 35 61.552 61.552 61.763 -0.211 19881 4333 1 17 . 1 1 35 35 SER CB C 35 63.404 63.404 63.287 0.117 19881 4334 1 17 . 1 1 35 35 SER H H 35 8.021 8.021 8.143 -0.122 19881 4335 1 17 . 1 1 36 36 ILE N N 36 121.829 121.829 122.787 -0.958 19881 4336 1 17 . 1 1 36 36 ILE HA H 36 3.855 3.855 3.866 -0.011 19881 4337 1 17 . 1 1 36 36 ILE C C 36 177.310 177.310 177.556 -0.246 19881 4338 1 17 . 1 1 36 36 ILE CA C 36 64.467 64.467 63.244 1.223 19881 4339 1 17 . 1 1 36 36 ILE CB C 36 37.790 37.790 37.531 0.259 19881 4340 1 17 . 1 1 36 36 ILE H H 36 8.170 8.170 8.505 -0.335 19881 4341 1 17 . 1 1 37 37 LYS N N 37 120.804 120.804 120.954 -0.150 19881 4342 1 17 . 1 1 37 37 LYS HA H 37 3.998 3.998 3.976 0.022 19881 4343 1 17 . 1 1 37 37 LYS C C 37 178.932 178.932 179.317 -0.385 19881 4344 1 17 . 1 1 37 37 LYS CA C 37 59.665 59.665 60.481 -0.816 19881 4345 1 17 . 1 1 37 37 LYS CB C 37 32.400 32.400 32.153 0.247 19881 4346 1 17 . 1 1 37 37 LYS H H 37 8.039 8.039 8.029 0.010 19881 4347 1 17 . 1 1 38 38 GLY N N 38 107.479 107.479 106.484 0.995 19881 4348 1 17 . 1 1 38 38 GLY C C 38 176.690 176.690 176.129 0.561 19881 4349 1 17 . 1 1 38 38 GLY CA C 38 46.426 46.426 47.016 -0.590 19881 4350 1 17 . 1 1 38 38 GLY H H 38 8.145 8.145 8.260 -0.115 19881 4351 1 17 . 1 1 39 39 PHE N N 39 122.726 122.726 123.379 -0.653 19881 4352 1 17 . 1 1 39 39 PHE HA H 39 4.389 4.389 4.223 0.166 19881 4353 1 17 . 1 1 39 39 PHE C C 39 176.506 176.506 177.321 -0.815 19881 4354 1 17 . 1 1 39 39 PHE CA C 39 60.235 60.235 61.168 -0.933 19881 4355 1 17 . 1 1 39 39 PHE CB C 39 39.354 39.354 39.387 -0.033 19881 4356 1 17 . 1 1 39 39 PHE H H 39 8.078 8.078 8.074 0.004 19881 4357 1 17 . 1 1 40 40 LYS N N 40 119.668 119.668 119.528 0.140 19881 4358 1 17 . 1 1 40 40 LYS HA H 40 3.925 3.925 3.829 0.096 19881 4359 1 17 . 1 1 40 40 LYS C C 40 178.275 178.275 179.058 -0.783 19881 4360 1 17 . 1 1 40 40 LYS CA C 40 58.940 58.940 59.932 -0.992 19881 4361 1 17 . 1 1 40 40 LYS CB C 40 32.523 32.523 32.389 0.134 19881 4362 1 17 . 1 1 40 40 LYS H H 40 8.192 8.192 9.027 -0.835 19881 4363 1 17 . 1 1 41 41 LYS N N 41 120.878 120.878 118.358 2.520 19881 4364 1 17 . 1 1 41 41 LYS HA H 41 4.109 4.109 3.979 0.130 19881 4365 1 17 . 1 1 41 41 LYS C C 41 177.740 177.740 178.634 -0.894 19881 4366 1 17 . 1 1 41 41 LYS CA C 41 58.105 58.105 59.609 -1.504 19881 4367 1 17 . 1 1 41 41 LYS CB C 41 32.516 32.516 32.322 0.194 19881 4368 1 17 . 1 1 41 41 LYS H H 41 7.997 7.997 8.323 -0.326 19881 4369 1 17 . 1 1 42 42 ALA N N 42 122.719 122.719 120.547 2.172 19881 4370 1 17 . 1 1 42 42 ALA HA H 42 4.213 4.213 4.069 0.144 19881 4371 1 17 . 1 1 42 42 ALA C C 42 178.450 178.450 178.645 -0.195 19881 4372 1 17 . 1 1 42 42 ALA CA C 42 53.586 53.586 54.352 -0.766 19881 4373 1 17 . 1 1 42 42 ALA CB C 42 18.919 18.919 18.658 0.261 19881 4374 1 17 . 1 1 42 42 ALA H H 42 7.900 7.900 7.366 0.534 19881 4375 1 17 . 1 1 43 43 MET N N 43 115.999 115.999 115.592 0.407 19881 4376 1 17 . 1 1 43 43 MET HA H 43 4.415 4.415 4.337 0.078 19881 4377 1 17 . 1 1 43 43 MET C C 43 176.270 176.270 177.782 -1.512 19881 4378 1 17 . 1 1 43 43 MET CA C 43 55.488 55.488 56.316 -0.828 19881 4379 1 17 . 1 1 43 43 MET CB C 43 33.279 33.279 33.037 0.242 19881 4380 1 17 . 1 1 43 43 MET H H 43 7.757 7.757 7.569 0.188 19881 4381 1 17 . 1 1 44 44 SER N N 44 115.396 115.396 116.119 -0.723 19881 4382 1 17 . 1 1 44 44 SER HA H 44 4.463 4.463 4.259 0.204 19881 4383 1 17 . 1 1 44 44 SER C C 44 173.950 173.950 175.030 -1.080 19881 4384 1 17 . 1 1 44 44 SER CA C 44 58.536 58.536 60.892 -2.356 19881 4385 1 17 . 1 1 44 44 SER CB C 44 64.380 64.380 63.689 0.691 19881 4386 1 17 . 1 1 44 44 SER H H 44 7.821 7.821 8.027 -0.206 19881 4387 1 17 . 1 1 45 45 ASP N N 45 123.208 123.208 121.688 1.520 19881 4388 1 17 . 1 1 45 45 ASP HA H 45 4.576 4.576 4.725 -0.149 19881 4389 1 17 . 1 1 45 45 ASP C C 45 175.990 175.990 175.732 0.258 19881 4390 1 17 . 1 1 45 45 ASP CA C 45 54.264 54.264 54.267 -0.003 19881 4391 1 17 . 1 1 45 45 ASP CB C 45 41.410 41.410 41.056 0.354 19881 4392 1 17 . 1 1 45 45 ASP H H 45 8.293 8.293 7.590 0.703 19881 4393 1 17 . 1 1 46 46 ASP N N 46 121.430 121.430 121.835 -0.405 19881 4394 1 17 . 1 1 46 46 ASP HA H 46 4.542 4.542 4.553 -0.011 19881 4395 1 17 . 1 1 46 46 ASP C C 46 176.060 176.060 176.143 -0.083 19881 4396 1 17 . 1 1 46 46 ASP CA C 46 54.250 54.250 53.728 0.522 19881 4397 1 17 . 1 1 46 46 ASP CB C 46 41.500 41.500 40.790 0.710 19881 4398 1 17 . 1 1 46 46 ASP H H 46 8.239 8.239 8.392 -0.153 19881 4399 1 17 . 1 1 47 47 GLU N N 47 123.031 123.031 119.206 3.825 19881 4400 1 17 . 1 1 47 47 GLU HA H 47 4.528 4.528 4.475 0.053 19881 4401 1 17 . 1 1 47 47 GLU CA C 47 54.651 54.651 54.604 0.047 19881 4402 1 17 . 1 1 47 47 GLU CB C 47 29.910 29.910 30.404 -0.494 19881 4403 1 17 . 1 1 47 47 GLU H H 47 8.163 8.163 8.035 0.128 19881 4404 1 18 . 1 1 2 2 GLY N N 2 109.485 109.485 107.868 1.617 19881 4405 1 18 . 1 1 2 2 GLY C C 2 174.370 174.370 174.867 -0.497 19881 4406 1 18 . 1 1 2 2 GLY CA C 2 46.411 46.411 45.835 0.576 19881 4407 1 18 . 1 1 2 2 GLY H H 2 8.713 8.713 7.979 0.734 19881 4408 1 18 . 1 1 3 3 GLY N N 3 108.308 108.308 112.165 -3.857 19881 4409 1 18 . 1 1 3 3 GLY C C 3 173.840 173.840 175.159 -1.319 19881 4410 1 18 . 1 1 3 3 GLY CA C 3 45.276 45.276 44.590 0.687 19881 4411 1 18 . 1 1 3 3 GLY H H 3 8.326 8.326 8.386 -0.060 19881 4412 1 18 . 1 1 4 4 ILE N N 4 120.682 120.682 118.673 2.009 19881 4413 1 18 . 1 1 4 4 ILE HA H 4 4.330 4.330 4.156 0.174 19881 4414 1 18 . 1 1 4 4 ILE CA C 4 60.610 60.610 62.950 -2.340 19881 4415 1 18 . 1 1 4 4 ILE CB C 4 39.100 39.100 37.486 1.614 19881 4416 1 18 . 1 1 4 4 ILE H H 4 7.605 7.605 8.089 -0.484 19881 4417 1 18 . 1 1 5 5 SER N N 5 121.157 121.157 110.162 10.995 19881 4418 1 18 . 1 1 5 5 SER HA H 5 4.676 4.676 4.617 0.059 19881 4419 1 18 . 1 1 5 5 SER C C 5 175.720 175.720 174.587 1.133 19881 4420 1 18 . 1 1 5 5 SER CA C 5 57.000 57.000 57.714 -0.714 19881 4421 1 18 . 1 1 5 5 SER CB C 5 65.760 65.760 64.048 1.712 19881 4422 1 18 . 1 1 5 5 SER H H 5 8.167 8.167 7.484 0.683 19881 4423 1 18 . 1 1 6 6 ILE N N 6 123.227 123.227 124.074 -0.847 19881 4424 1 18 . 1 1 6 6 ILE HA H 6 3.771 3.771 4.083 -0.312 19881 4425 1 18 . 1 1 6 6 ILE C C 6 176.660 176.660 178.141 -1.481 19881 4426 1 18 . 1 1 6 6 ILE CA C 6 63.890 63.890 63.590 0.299 19881 4427 1 18 . 1 1 6 6 ILE CB C 6 37.173 37.173 37.662 -0.489 19881 4428 1 18 . 1 1 6 6 ILE H H 6 9.080 9.080 8.696 0.384 19881 4429 1 18 . 1 1 7 7 TRP N N 7 119.286 119.286 121.383 -2.097 19881 4430 1 18 . 1 1 7 7 TRP HA H 7 4.365 4.365 4.434 -0.069 19881 4431 1 18 . 1 1 7 7 TRP C C 7 177.800 177.800 177.781 0.019 19881 4432 1 18 . 1 1 7 7 TRP CA C 7 59.411 59.411 60.716 -1.305 19881 4433 1 18 . 1 1 7 7 TRP CB C 7 29.263 29.263 29.020 0.243 19881 4434 1 18 . 1 1 7 7 TRP H H 7 7.536 7.536 8.334 -0.798 19881 4435 1 18 . 1 1 8 8 GLN N N 8 117.821 117.821 117.159 0.662 19881 4436 1 18 . 1 1 8 8 GLN HA H 8 3.732 3.732 3.780 -0.048 19881 4437 1 18 . 1 1 8 8 GLN C C 8 177.765 177.765 178.347 -0.582 19881 4438 1 18 . 1 1 8 8 GLN CA C 8 59.367 59.367 58.669 0.699 19881 4439 1 18 . 1 1 8 8 GLN CB C 8 28.094 28.094 27.958 0.136 19881 4440 1 18 . 1 1 8 8 GLN H H 8 7.132 7.132 8.472 -1.340 19881 4441 1 18 . 1 1 9 9 LEU N N 9 118.175 118.175 120.088 -1.913 19881 4442 1 18 . 1 1 9 9 LEU HA H 9 3.916 3.916 4.045 -0.129 19881 4443 1 18 . 1 1 9 9 LEU C C 9 178.096 178.096 178.328 -0.232 19881 4444 1 18 . 1 1 9 9 LEU CA C 9 58.057 58.057 58.053 0.004 19881 4445 1 18 . 1 1 9 9 LEU CB C 9 41.803 41.803 41.053 0.750 19881 4446 1 18 . 1 1 9 9 LEU H H 9 7.680 7.680 7.935 -0.255 19881 4447 1 18 . 1 1 10 10 LEU N N 10 118.370 118.370 120.474 -2.104 19881 4448 1 18 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.799 0.155 19881 4449 1 18 . 1 1 10 10 LEU C C 10 177.930 177.930 179.013 -1.083 19881 4450 1 18 . 1 1 10 10 LEU CA C 10 58.215 58.215 58.148 0.067 19881 4451 1 18 . 1 1 10 10 LEU CB C 10 41.770 41.770 41.466 0.304 19881 4452 1 18 . 1 1 10 10 LEU H H 10 8.182 8.182 7.642 0.540 19881 4453 1 18 . 1 1 11 11 ILE N N 11 117.907 117.907 119.330 -1.423 19881 4454 1 18 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.403 0.213 19881 4455 1 18 . 1 1 11 11 ILE C C 11 177.370 177.370 177.801 -0.431 19881 4456 1 18 . 1 1 11 11 ILE CA C 11 65.245 65.245 65.672 -0.427 19881 4457 1 18 . 1 1 11 11 ILE CB C 11 37.290 37.290 37.658 -0.368 19881 4458 1 18 . 1 1 11 11 ILE H H 11 7.676 7.676 7.088 0.588 19881 4459 1 18 . 1 1 12 12 ILE N N 12 118.851 118.851 120.098 -1.247 19881 4460 1 18 . 1 1 12 12 ILE HA H 12 3.525 3.525 3.525 -0.000 19881 4461 1 18 . 1 1 12 12 ILE C C 12 176.908 176.908 177.791 -0.883 19881 4462 1 18 . 1 1 12 12 ILE CA C 12 65.463 65.463 65.552 -0.089 19881 4463 1 18 . 1 1 12 12 ILE CB C 12 37.450 37.450 37.596 -0.146 19881 4464 1 18 . 1 1 12 12 ILE H H 12 7.756 7.756 7.598 0.158 19881 4465 1 18 . 1 1 13 13 ALA N N 13 121.114 121.114 122.466 -1.352 19881 4466 1 18 . 1 1 13 13 ALA HA H 13 3.822 3.822 4.007 -0.185 19881 4467 1 18 . 1 1 13 13 ALA C C 13 178.605 178.605 179.730 -1.125 19881 4468 1 18 . 1 1 13 13 ALA CA C 13 55.753 55.753 55.413 0.341 19881 4469 1 18 . 1 1 13 13 ALA CB C 13 17.799 17.799 18.128 -0.329 19881 4470 1 18 . 1 1 13 13 ALA H H 13 8.367 8.367 8.728 -0.361 19881 4471 1 18 . 1 1 14 14 VAL N N 14 116.560 116.560 119.481 -2.921 19881 4472 1 18 . 1 1 14 14 VAL HA H 14 3.418 3.418 3.656 -0.238 19881 4473 1 18 . 1 1 14 14 VAL C C 14 177.236 177.236 177.959 -0.723 19881 4474 1 18 . 1 1 14 14 VAL CA C 14 67.304 67.304 66.913 0.391 19881 4475 1 18 . 1 1 14 14 VAL CB C 14 31.360 31.360 31.351 0.009 19881 4476 1 18 . 1 1 14 14 VAL H H 14 8.164 8.164 7.922 0.242 19881 4477 1 18 . 1 1 15 15 ILE N N 15 119.573 119.573 117.316 2.257 19881 4478 1 18 . 1 1 15 15 ILE HA H 15 3.517 3.517 3.773 -0.256 19881 4479 1 18 . 1 1 15 15 ILE C C 15 177.490 177.490 177.968 -0.478 19881 4480 1 18 . 1 1 15 15 ILE CA C 15 65.828 65.828 65.269 0.559 19881 4481 1 18 . 1 1 15 15 ILE CB C 15 37.364 37.364 37.302 0.062 19881 4482 1 18 . 1 1 15 15 ILE H H 15 8.045 8.045 7.782 0.263 19881 4483 1 18 . 1 1 16 16 VAL N N 16 118.777 118.777 121.015 -2.238 19881 4484 1 18 . 1 1 16 16 VAL HA H 16 3.597 3.597 3.878 -0.281 19881 4485 1 18 . 1 1 16 16 VAL C C 16 177.993 177.993 178.568 -0.575 19881 4486 1 18 . 1 1 16 16 VAL CA C 16 67.680 67.680 66.991 0.689 19881 4487 1 18 . 1 1 16 16 VAL CB C 16 31.240 31.240 31.123 0.117 19881 4488 1 18 . 1 1 16 16 VAL H H 16 8.481 8.481 8.124 0.357 19881 4489 1 18 . 1 1 17 17 VAL N N 17 120.072 120.072 119.791 0.281 19881 4490 1 18 . 1 1 17 17 VAL HA H 17 3.602 3.602 3.622 -0.020 19881 4491 1 18 . 1 1 17 17 VAL C C 17 178.199 178.199 178.153 0.046 19881 4492 1 18 . 1 1 17 17 VAL CA C 17 67.426 67.426 66.927 0.499 19881 4493 1 18 . 1 1 17 17 VAL CB C 17 31.187 31.187 31.718 -0.531 19881 4494 1 18 . 1 1 17 17 VAL H H 17 8.329 8.329 8.169 0.160 19881 4495 1 18 . 1 1 18 18 LEU N N 18 120.167 120.167 118.672 1.495 19881 4496 1 18 . 1 1 18 18 LEU HA H 18 4.012 4.012 4.106 -0.094 19881 4497 1 18 . 1 1 18 18 LEU C C 18 178.985 178.985 178.946 0.039 19881 4498 1 18 . 1 1 18 18 LEU CA C 18 58.130 58.130 58.226 -0.096 19881 4499 1 18 . 1 1 18 18 LEU CB C 18 42.045 42.045 41.083 0.962 19881 4500 1 18 . 1 1 18 18 LEU H H 18 8.413 8.413 7.762 0.651 19881 4501 1 18 . 1 1 19 19 LEU N N 19 118.603 118.603 117.692 0.911 19881 4502 1 18 . 1 1 19 19 LEU HA H 19 3.984 3.984 4.096 -0.112 19881 4503 1 18 . 1 1 19 19 LEU C C 19 178.510 178.510 178.544 -0.034 19881 4504 1 18 . 1 1 19 19 LEU CA C 19 57.831 57.831 57.795 0.036 19881 4505 1 18 . 1 1 19 19 LEU CB C 19 42.406 42.406 41.644 0.762 19881 4506 1 18 . 1 1 19 19 LEU H H 19 8.420 8.420 8.200 0.220 19881 4507 1 18 . 1 1 20 20 PHE N N 20 116.154 116.154 117.887 -1.733 19881 4508 1 18 . 1 1 20 20 PHE HA H 20 4.508 4.508 4.289 0.219 19881 4509 1 18 . 1 1 20 20 PHE C C 20 178.062 178.062 176.684 1.378 19881 4510 1 18 . 1 1 20 20 PHE CA C 20 60.202 60.202 60.502 -0.300 19881 4511 1 18 . 1 1 20 20 PHE CB C 20 40.126 40.126 39.655 0.471 19881 4512 1 18 . 1 1 20 20 PHE H H 20 8.451 8.451 8.338 0.113 19881 4513 1 18 . 1 1 21 21 GLY N N 21 108.705 108.705 104.085 4.620 19881 4514 1 18 . 1 1 21 21 GLY C C 21 173.997 173.997 174.613 -0.616 19881 4515 1 18 . 1 1 21 21 GLY CA C 21 46.189 46.189 45.004 1.185 19881 4516 1 18 . 1 1 21 21 GLY H H 21 8.754 8.754 8.278 0.476 19881 4517 1 18 . 1 1 22 22 THR N N 22 111.556 111.556 110.767 0.789 19881 4518 1 18 . 1 1 22 22 THR HA H 22 4.080 4.080 3.947 0.133 19881 4519 1 18 . 1 1 22 22 THR CA C 22 64.722 64.722 63.785 0.937 19881 4520 1 18 . 1 1 22 22 THR CB C 22 69.150 69.150 67.597 1.553 19881 4521 1 18 . 1 1 22 22 THR H H 22 8.190 8.190 7.981 0.209 19881 4522 1 18 . 1 1 23 23 LYS N N 23 121.733 121.733 118.651 3.082 19881 4523 1 18 . 1 1 23 23 LYS HA H 23 4.175 4.175 4.435 -0.260 19881 4524 1 18 . 1 1 23 23 LYS C C 23 178.622 178.622 176.841 1.781 19881 4525 1 18 . 1 1 23 23 LYS CA C 23 58.378 58.378 57.210 1.168 19881 4526 1 18 . 1 1 23 23 LYS CB C 23 31.639 31.639 32.750 -1.111 19881 4527 1 18 . 1 1 23 23 LYS H H 23 8.165 8.165 8.366 -0.201 19881 4528 1 18 . 1 1 24 24 LYS N N 24 118.854 118.854 122.120 -3.266 19881 4529 1 18 . 1 1 24 24 LYS HA H 24 4.246 4.246 4.374 -0.128 19881 4530 1 18 . 1 1 24 24 LYS C C 24 177.705 177.705 178.105 -0.400 19881 4531 1 18 . 1 1 24 24 LYS CA C 24 57.026 57.026 58.378 -1.352 19881 4532 1 18 . 1 1 24 24 LYS CB C 24 32.471 32.471 32.119 0.352 19881 4533 1 18 . 1 1 24 24 LYS H H 24 8.144 8.144 7.961 0.183 19881 4534 1 18 . 1 1 25 25 LEU N N 25 118.583 118.583 119.302 -0.719 19881 4535 1 18 . 1 1 25 25 LEU HA H 25 4.148 4.148 4.137 0.011 19881 4536 1 18 . 1 1 25 25 LEU C C 25 177.815 177.815 179.212 -1.397 19881 4537 1 18 . 1 1 25 25 LEU CA C 25 56.511 56.511 57.986 -1.475 19881 4538 1 18 . 1 1 25 25 LEU CB C 25 41.955 41.955 40.785 1.170 19881 4539 1 18 . 1 1 25 25 LEU H H 25 7.820 7.820 8.011 -0.191 19881 4540 1 18 . 1 1 26 26 GLY N N 26 106.160 106.160 104.320 1.840 19881 4541 1 18 . 1 1 26 26 GLY C C 26 175.013 175.013 175.572 -0.559 19881 4542 1 18 . 1 1 26 26 GLY CA C 26 46.414 46.414 46.810 -0.396 19881 4543 1 18 . 1 1 26 26 GLY H H 26 8.146 8.146 8.376 -0.230 19881 4544 1 18 . 1 1 27 27 SER N N 27 116.361 116.361 115.733 0.628 19881 4545 1 18 . 1 1 27 27 SER HA H 27 4.441 4.441 4.482 -0.041 19881 4546 1 18 . 1 1 27 27 SER C C 27 175.407 175.407 176.149 -0.742 19881 4547 1 18 . 1 1 27 27 SER CA C 27 59.665 59.665 60.183 -0.518 19881 4548 1 18 . 1 1 27 27 SER CB C 27 63.672 63.672 63.991 -0.319 19881 4549 1 18 . 1 1 27 27 SER H H 27 8.046 8.046 7.566 0.480 19881 4550 1 18 . 1 1 28 28 ILE N N 28 121.108 121.108 114.730 6.378 19881 4551 1 18 . 1 1 28 28 ILE HA H 28 4.090 4.090 4.492 -0.402 19881 4552 1 18 . 1 1 28 28 ILE C C 28 176.733 176.733 177.437 -0.704 19881 4553 1 18 . 1 1 28 28 ILE CA C 28 62.883 62.883 62.974 -0.091 19881 4554 1 18 . 1 1 28 28 ILE CB C 28 38.348 38.348 38.048 0.300 19881 4555 1 18 . 1 1 28 28 ILE H H 28 7.847 7.847 8.419 -0.572 19881 4556 1 18 . 1 1 29 29 GLY N N 29 109.304 109.304 108.815 0.489 19881 4557 1 18 . 1 1 29 29 GLY C C 29 174.534 174.534 176.327 -1.793 19881 4558 1 18 . 1 1 29 29 GLY CA C 29 46.278 46.278 47.628 -1.350 19881 4559 1 18 . 1 1 29 29 GLY H H 29 8.329 8.329 8.588 -0.259 19881 4560 1 18 . 1 1 30 30 SER N N 30 115.814 115.814 116.028 -0.214 19881 4561 1 18 . 1 1 30 30 SER HA H 30 4.301 4.301 4.262 0.039 19881 4562 1 18 . 1 1 30 30 SER C C 30 175.445 175.445 176.478 -1.033 19881 4563 1 18 . 1 1 30 30 SER CA C 30 60.378 60.378 61.365 -0.987 19881 4564 1 18 . 1 1 30 30 SER CB C 30 63.575 63.575 62.852 0.723 19881 4565 1 18 . 1 1 30 30 SER H H 30 8.026 8.026 8.015 0.011 19881 4566 1 18 . 1 1 31 31 ASP N N 31 122.351 122.351 122.512 -0.161 19881 4567 1 18 . 1 1 31 31 ASP HA H 31 4.648 4.648 4.470 0.178 19881 4568 1 18 . 1 1 31 31 ASP C C 31 177.501 177.501 178.717 -1.216 19881 4569 1 18 . 1 1 31 31 ASP CA C 31 55.138 55.138 57.044 -1.906 19881 4570 1 18 . 1 1 31 31 ASP CB C 31 40.847 40.847 40.495 0.352 19881 4571 1 18 . 1 1 31 31 ASP H H 31 8.261 8.261 7.715 0.546 19881 4572 1 18 . 1 1 32 32 LEU N N 32 123.303 123.303 120.675 2.628 19881 4573 1 18 . 1 1 32 32 LEU HA H 32 4.146 4.146 4.074 0.072 19881 4574 1 18 . 1 1 32 32 LEU C C 32 178.653 178.653 179.268 -0.615 19881 4575 1 18 . 1 1 32 32 LEU CA C 32 57.539 57.539 58.026 -0.487 19881 4576 1 18 . 1 1 32 32 LEU CB C 32 42.175 42.175 41.479 0.696 19881 4577 1 18 . 1 1 32 32 LEU H H 32 8.400 8.400 7.877 0.523 19881 4578 1 18 . 1 1 33 33 GLY N N 33 107.221 107.221 106.730 0.491 19881 4579 1 18 . 1 1 33 33 GLY C C 33 175.646 175.646 175.562 0.084 19881 4580 1 18 . 1 1 33 33 GLY CA C 33 47.342 47.342 47.225 0.117 19881 4581 1 18 . 1 1 33 33 GLY H H 33 8.582 8.582 8.778 -0.196 19881 4582 1 18 . 1 1 34 34 ALA N N 34 123.643 123.643 123.804 -0.161 19881 4583 1 18 . 1 1 34 34 ALA HA H 34 4.165 4.165 4.207 -0.042 19881 4584 1 18 . 1 1 34 34 ALA C C 34 180.302 180.302 179.552 0.750 19881 4585 1 18 . 1 1 34 34 ALA CA C 34 54.422 54.422 54.767 -0.345 19881 4586 1 18 . 1 1 34 34 ALA CB C 34 18.645 18.645 18.324 0.321 19881 4587 1 18 . 1 1 34 34 ALA H H 34 8.012 8.012 8.010 0.002 19881 4588 1 18 . 1 1 35 35 SER N N 35 115.942 115.942 115.223 0.719 19881 4589 1 18 . 1 1 35 35 SER HA H 35 4.342 4.342 4.260 0.082 19881 4590 1 18 . 1 1 35 35 SER C C 35 176.430 176.430 176.919 -0.489 19881 4591 1 18 . 1 1 35 35 SER CA C 35 61.552 61.552 61.799 -0.247 19881 4592 1 18 . 1 1 35 35 SER CB C 35 63.404 63.404 63.165 0.239 19881 4593 1 18 . 1 1 35 35 SER H H 35 8.021 8.021 8.365 -0.344 19881 4594 1 18 . 1 1 36 36 ILE N N 36 121.829 121.829 122.558 -0.729 19881 4595 1 18 . 1 1 36 36 ILE HA H 36 3.855 3.855 3.901 -0.046 19881 4596 1 18 . 1 1 36 36 ILE C C 36 177.310 177.310 177.196 0.114 19881 4597 1 18 . 1 1 36 36 ILE CA C 36 64.467 64.467 63.291 1.175 19881 4598 1 18 . 1 1 36 36 ILE CB C 36 37.790 37.790 37.675 0.116 19881 4599 1 18 . 1 1 36 36 ILE H H 36 8.170 8.170 8.391 -0.221 19881 4600 1 18 . 1 1 37 37 LYS N N 37 120.804 120.804 121.281 -0.477 19881 4601 1 18 . 1 1 37 37 LYS HA H 37 3.998 3.998 4.037 -0.039 19881 4602 1 18 . 1 1 37 37 LYS C C 37 178.932 178.932 179.184 -0.252 19881 4603 1 18 . 1 1 37 37 LYS CA C 37 59.665 59.665 60.156 -0.491 19881 4604 1 18 . 1 1 37 37 LYS CB C 37 32.400 32.400 31.777 0.623 19881 4605 1 18 . 1 1 37 37 LYS H H 37 8.039 8.039 8.038 0.001 19881 4606 1 18 . 1 1 38 38 GLY N N 38 107.479 107.479 107.412 0.067 19881 4607 1 18 . 1 1 38 38 GLY C C 38 176.690 176.690 176.101 0.589 19881 4608 1 18 . 1 1 38 38 GLY CA C 38 46.426 46.426 46.867 -0.441 19881 4609 1 18 . 1 1 38 38 GLY H H 38 8.145 8.145 8.233 -0.088 19881 4610 1 18 . 1 1 39 39 PHE N N 39 122.726 122.726 123.018 -0.292 19881 4611 1 18 . 1 1 39 39 PHE HA H 39 4.389 4.389 4.176 0.213 19881 4612 1 18 . 1 1 39 39 PHE C C 39 176.506 176.506 176.850 -0.344 19881 4613 1 18 . 1 1 39 39 PHE CA C 39 60.235 60.235 61.009 -0.774 19881 4614 1 18 . 1 1 39 39 PHE CB C 39 39.354 39.354 39.325 0.029 19881 4615 1 18 . 1 1 39 39 PHE H H 39 8.078 8.078 8.063 0.015 19881 4616 1 18 . 1 1 40 40 LYS N N 40 119.668 119.668 118.597 1.071 19881 4617 1 18 . 1 1 40 40 LYS HA H 40 3.925 3.925 3.957 -0.032 19881 4618 1 18 . 1 1 40 40 LYS C C 40 178.275 178.275 178.407 -0.132 19881 4619 1 18 . 1 1 40 40 LYS CA C 40 58.940 58.940 58.478 0.462 19881 4620 1 18 . 1 1 40 40 LYS CB C 40 32.523 32.523 32.022 0.501 19881 4621 1 18 . 1 1 40 40 LYS H H 40 8.192 8.192 8.760 -0.568 19881 4622 1 18 . 1 1 41 41 LYS N N 41 120.878 120.878 118.317 2.561 19881 4623 1 18 . 1 1 41 41 LYS HA H 41 4.109 4.109 4.082 0.027 19881 4624 1 18 . 1 1 41 41 LYS C C 41 177.740 177.740 178.342 -0.602 19881 4625 1 18 . 1 1 41 41 LYS CA C 41 58.105 58.105 58.327 -0.222 19881 4626 1 18 . 1 1 41 41 LYS CB C 41 32.516 32.516 32.603 -0.087 19881 4627 1 18 . 1 1 41 41 LYS H H 41 7.997 7.997 8.020 -0.023 19881 4628 1 18 . 1 1 42 42 ALA N N 42 122.719 122.719 121.812 0.907 19881 4629 1 18 . 1 1 42 42 ALA HA H 42 4.213 4.213 4.041 0.172 19881 4630 1 18 . 1 1 42 42 ALA C C 42 178.450 178.450 178.611 -0.161 19881 4631 1 18 . 1 1 42 42 ALA CA C 42 53.586 53.586 54.567 -0.981 19881 4632 1 18 . 1 1 42 42 ALA CB C 42 18.919 18.919 18.719 0.200 19881 4633 1 18 . 1 1 42 42 ALA H H 42 7.900 7.900 7.740 0.160 19881 4634 1 18 . 1 1 43 43 MET N N 43 115.999 115.999 113.591 2.408 19881 4635 1 18 . 1 1 43 43 MET HA H 43 4.415 4.415 4.508 -0.093 19881 4636 1 18 . 1 1 43 43 MET C C 43 176.270 176.270 176.210 0.060 19881 4637 1 18 . 1 1 43 43 MET CA C 43 55.488 55.488 55.295 0.193 19881 4638 1 18 . 1 1 43 43 MET CB C 43 33.279 33.279 34.107 -0.828 19881 4639 1 18 . 1 1 43 43 MET H H 43 7.757 7.757 7.151 0.606 19881 4640 1 18 . 1 1 44 44 SER N N 44 115.396 115.396 115.993 -0.597 19881 4641 1 18 . 1 1 44 44 SER HA H 44 4.463 4.463 4.206 0.257 19881 4642 1 18 . 1 1 44 44 SER C C 44 173.950 173.950 172.952 0.998 19881 4643 1 18 . 1 1 44 44 SER CA C 44 58.536 58.536 59.341 -0.805 19881 4644 1 18 . 1 1 44 44 SER CB C 44 64.380 64.380 63.838 0.542 19881 4645 1 18 . 1 1 44 44 SER H H 44 7.821 7.821 7.698 0.123 19881 4646 1 18 . 1 1 45 45 ASP N N 45 123.208 123.208 123.699 -0.491 19881 4647 1 18 . 1 1 45 45 ASP HA H 45 4.576 4.576 4.696 -0.120 19881 4648 1 18 . 1 1 45 45 ASP C C 45 175.990 175.990 176.188 -0.198 19881 4649 1 18 . 1 1 45 45 ASP CA C 45 54.264 54.264 54.126 0.138 19881 4650 1 18 . 1 1 45 45 ASP CB C 45 41.410 41.410 41.494 -0.084 19881 4651 1 18 . 1 1 45 45 ASP H H 45 8.293 8.293 8.311 -0.018 19881 4652 1 18 . 1 1 46 46 ASP N N 46 121.430 121.430 122.589 -1.159 19881 4653 1 18 . 1 1 46 46 ASP HA H 46 4.542 4.542 4.486 0.056 19881 4654 1 18 . 1 1 46 46 ASP C C 46 176.060 176.060 175.806 0.254 19881 4655 1 18 . 1 1 46 46 ASP CA C 46 54.250 54.250 53.523 0.727 19881 4656 1 18 . 1 1 46 46 ASP CB C 46 41.500 41.500 40.726 0.774 19881 4657 1 18 . 1 1 46 46 ASP H H 46 8.239 8.239 8.325 -0.086 19881 4658 1 18 . 1 1 47 47 GLU N N 47 123.031 123.031 119.776 3.255 19881 4659 1 18 . 1 1 47 47 GLU HA H 47 4.528 4.528 4.202 0.326 19881 4660 1 18 . 1 1 47 47 GLU CA C 47 54.651 54.651 55.988 -1.337 19881 4661 1 18 . 1 1 47 47 GLU CB C 47 29.910 29.910 29.446 0.464 19881 4662 1 18 . 1 1 47 47 GLU H H 47 8.163 8.163 8.281 -0.118 19881 4663 1 19 . 1 1 2 2 GLY N N 2 109.485 109.485 109.860 -0.375 19881 4664 1 19 . 1 1 2 2 GLY C C 2 174.370 174.370 174.557 -0.187 19881 4665 1 19 . 1 1 2 2 GLY CA C 2 46.411 46.411 45.502 0.909 19881 4666 1 19 . 1 1 2 2 GLY H H 2 8.713 8.713 8.505 0.208 19881 4667 1 19 . 1 1 3 3 GLY N N 3 108.308 108.308 108.131 0.177 19881 4668 1 19 . 1 1 3 3 GLY C C 3 173.840 173.840 173.658 0.182 19881 4669 1 19 . 1 1 3 3 GLY CA C 3 45.276 45.276 44.705 0.571 19881 4670 1 19 . 1 1 3 3 GLY H H 3 8.326 8.326 7.707 0.619 19881 4671 1 19 . 1 1 4 4 ILE N N 4 120.682 120.682 121.099 -0.417 19881 4672 1 19 . 1 1 4 4 ILE HA H 4 4.330 4.330 3.833 0.497 19881 4673 1 19 . 1 1 4 4 ILE CA C 4 60.610 60.610 63.378 -2.768 19881 4674 1 19 . 1 1 4 4 ILE CB C 4 39.100 39.100 38.045 1.054 19881 4675 1 19 . 1 1 4 4 ILE H H 4 7.605 7.605 7.675 -0.070 19881 4676 1 19 . 1 1 5 5 SER N N 5 121.157 121.157 122.693 -1.536 19881 4677 1 19 . 1 1 5 5 SER HA H 5 4.676 4.676 4.482 0.194 19881 4678 1 19 . 1 1 5 5 SER C C 5 175.720 175.720 174.069 1.651 19881 4679 1 19 . 1 1 5 5 SER CA C 5 57.000 57.000 58.480 -1.480 19881 4680 1 19 . 1 1 5 5 SER CB C 5 65.760 65.760 64.427 1.333 19881 4681 1 19 . 1 1 5 5 SER H H 5 8.167 8.167 8.135 0.032 19881 4682 1 19 . 1 1 6 6 ILE N N 6 123.227 123.227 119.712 3.515 19881 4683 1 19 . 1 1 6 6 ILE HA H 6 3.771 3.771 4.245 -0.474 19881 4684 1 19 . 1 1 6 6 ILE C C 6 176.660 176.660 176.949 -0.289 19881 4685 1 19 . 1 1 6 6 ILE CA C 6 63.890 63.890 62.054 1.836 19881 4686 1 19 . 1 1 6 6 ILE CB C 6 37.173 37.173 39.237 -2.064 19881 4687 1 19 . 1 1 6 6 ILE H H 6 9.080 9.080 8.416 0.664 19881 4688 1 19 . 1 1 7 7 TRP N N 7 119.286 119.286 120.820 -1.534 19881 4689 1 19 . 1 1 7 7 TRP HA H 7 4.365 4.365 4.199 0.166 19881 4690 1 19 . 1 1 7 7 TRP C C 7 177.800 177.800 178.038 -0.238 19881 4691 1 19 . 1 1 7 7 TRP CA C 7 59.411 59.411 61.817 -2.406 19881 4692 1 19 . 1 1 7 7 TRP CB C 7 29.263 29.263 28.841 0.422 19881 4693 1 19 . 1 1 7 7 TRP H H 7 7.536 7.536 8.353 -0.817 19881 4694 1 19 . 1 1 8 8 GLN N N 8 117.821 117.821 117.840 -0.019 19881 4695 1 19 . 1 1 8 8 GLN HA H 8 3.732 3.732 4.098 -0.366 19881 4696 1 19 . 1 1 8 8 GLN C C 8 177.765 177.765 177.789 -0.024 19881 4697 1 19 . 1 1 8 8 GLN CA C 8 59.367 59.367 58.677 0.690 19881 4698 1 19 . 1 1 8 8 GLN CB C 8 28.094 28.094 27.243 0.851 19881 4699 1 19 . 1 1 8 8 GLN H H 8 7.132 7.132 8.762 -1.630 19881 4700 1 19 . 1 1 9 9 LEU N N 9 118.175 118.175 120.802 -2.627 19881 4701 1 19 . 1 1 9 9 LEU HA H 9 3.916 3.916 4.077 -0.161 19881 4702 1 19 . 1 1 9 9 LEU C C 9 178.096 178.096 179.441 -1.345 19881 4703 1 19 . 1 1 9 9 LEU CA C 9 58.057 58.057 57.288 0.770 19881 4704 1 19 . 1 1 9 9 LEU CB C 9 41.803 41.803 41.458 0.346 19881 4705 1 19 . 1 1 9 9 LEU H H 9 7.680 7.680 7.652 0.028 19881 4706 1 19 . 1 1 10 10 LEU N N 10 118.370 118.370 120.548 -2.178 19881 4707 1 19 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.884 0.070 19881 4708 1 19 . 1 1 10 10 LEU C C 10 177.930 177.930 179.249 -1.319 19881 4709 1 19 . 1 1 10 10 LEU CA C 10 58.215 58.215 58.247 -0.032 19881 4710 1 19 . 1 1 10 10 LEU CB C 10 41.770 41.770 41.684 0.085 19881 4711 1 19 . 1 1 10 10 LEU H H 10 8.182 8.182 8.237 -0.055 19881 4712 1 19 . 1 1 11 11 ILE N N 11 117.907 117.907 119.736 -1.829 19881 4713 1 19 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.766 -0.150 19881 4714 1 19 . 1 1 11 11 ILE C C 11 177.370 177.370 178.161 -0.791 19881 4715 1 19 . 1 1 11 11 ILE CA C 11 65.245 65.245 65.605 -0.360 19881 4716 1 19 . 1 1 11 11 ILE CB C 11 37.290 37.290 37.776 -0.486 19881 4717 1 19 . 1 1 11 11 ILE H H 11 7.676 7.676 7.641 0.035 19881 4718 1 19 . 1 1 12 12 ILE N N 12 118.851 118.851 120.787 -1.936 19881 4719 1 19 . 1 1 12 12 ILE HA H 12 3.525 3.525 3.716 -0.191 19881 4720 1 19 . 1 1 12 12 ILE C C 12 176.908 176.908 177.920 -1.012 19881 4721 1 19 . 1 1 12 12 ILE CA C 12 65.463 65.463 63.847 1.615 19881 4722 1 19 . 1 1 12 12 ILE CB C 12 37.450 37.450 37.046 0.404 19881 4723 1 19 . 1 1 12 12 ILE H H 12 7.756 7.756 8.218 -0.462 19881 4724 1 19 . 1 1 13 13 ALA N N 13 121.114 121.114 122.343 -1.229 19881 4725 1 19 . 1 1 13 13 ALA HA H 13 3.822 3.822 4.095 -0.273 19881 4726 1 19 . 1 1 13 13 ALA C C 13 178.605 178.605 179.957 -1.352 19881 4727 1 19 . 1 1 13 13 ALA CA C 13 55.753 55.753 55.447 0.306 19881 4728 1 19 . 1 1 13 13 ALA CB C 13 17.799 17.799 18.130 -0.331 19881 4729 1 19 . 1 1 13 13 ALA H H 13 8.367 8.367 8.853 -0.486 19881 4730 1 19 . 1 1 14 14 VAL N N 14 116.560 116.560 119.807 -3.247 19881 4731 1 19 . 1 1 14 14 VAL HA H 14 3.418 3.418 3.725 -0.307 19881 4732 1 19 . 1 1 14 14 VAL C C 14 177.236 177.236 178.142 -0.906 19881 4733 1 19 . 1 1 14 14 VAL CA C 14 67.304 67.304 66.421 0.883 19881 4734 1 19 . 1 1 14 14 VAL CB C 14 31.360 31.360 31.530 -0.170 19881 4735 1 19 . 1 1 14 14 VAL H H 14 8.164 8.164 8.193 -0.029 19881 4736 1 19 . 1 1 15 15 ILE N N 15 119.573 119.573 120.292 -0.719 19881 4737 1 19 . 1 1 15 15 ILE HA H 15 3.517 3.517 3.808 -0.291 19881 4738 1 19 . 1 1 15 15 ILE C C 15 177.490 177.490 178.284 -0.794 19881 4739 1 19 . 1 1 15 15 ILE CA C 15 65.828 65.828 64.227 1.601 19881 4740 1 19 . 1 1 15 15 ILE CB C 15 37.364 37.364 37.207 0.157 19881 4741 1 19 . 1 1 15 15 ILE H H 15 8.045 8.045 7.886 0.159 19881 4742 1 19 . 1 1 16 16 VAL N N 16 118.777 118.777 120.135 -1.358 19881 4743 1 19 . 1 1 16 16 VAL HA H 16 3.597 3.597 3.898 -0.301 19881 4744 1 19 . 1 1 16 16 VAL C C 16 177.993 177.993 178.239 -0.246 19881 4745 1 19 . 1 1 16 16 VAL CA C 16 67.680 67.680 67.468 0.212 19881 4746 1 19 . 1 1 16 16 VAL CB C 16 31.240 31.240 31.728 -0.488 19881 4747 1 19 . 1 1 16 16 VAL H H 16 8.481 8.481 8.166 0.315 19881 4748 1 19 . 1 1 17 17 VAL N N 17 120.072 120.072 119.838 0.234 19881 4749 1 19 . 1 1 17 17 VAL HA H 17 3.602 3.602 3.651 -0.049 19881 4750 1 19 . 1 1 17 17 VAL C C 17 178.199 178.199 178.009 0.190 19881 4751 1 19 . 1 1 17 17 VAL CA C 17 67.426 67.426 66.901 0.525 19881 4752 1 19 . 1 1 17 17 VAL CB C 17 31.187 31.187 31.696 -0.509 19881 4753 1 19 . 1 1 17 17 VAL H H 17 8.329 8.329 8.076 0.253 19881 4754 1 19 . 1 1 18 18 LEU N N 18 120.167 120.167 118.290 1.877 19881 4755 1 19 . 1 1 18 18 LEU HA H 18 4.012 4.012 4.183 -0.171 19881 4756 1 19 . 1 1 18 18 LEU C C 18 178.985 178.985 178.963 0.022 19881 4757 1 19 . 1 1 18 18 LEU CA C 18 58.130 58.130 58.348 -0.218 19881 4758 1 19 . 1 1 18 18 LEU CB C 18 42.045 42.045 41.146 0.899 19881 4759 1 19 . 1 1 18 18 LEU H H 18 8.413 8.413 7.837 0.576 19881 4760 1 19 . 1 1 19 19 LEU N N 19 118.603 118.603 119.799 -1.196 19881 4761 1 19 . 1 1 19 19 LEU HA H 19 3.984 3.984 4.018 -0.034 19881 4762 1 19 . 1 1 19 19 LEU C C 19 178.510 178.510 178.549 -0.039 19881 4763 1 19 . 1 1 19 19 LEU CA C 19 57.831 57.831 57.769 0.062 19881 4764 1 19 . 1 1 19 19 LEU CB C 19 42.406 42.406 41.469 0.937 19881 4765 1 19 . 1 1 19 19 LEU H H 19 8.420 8.420 8.400 0.020 19881 4766 1 19 . 1 1 20 20 PHE N N 20 116.154 116.154 118.163 -2.009 19881 4767 1 19 . 1 1 20 20 PHE HA H 20 4.508 4.508 4.376 0.132 19881 4768 1 19 . 1 1 20 20 PHE C C 20 178.062 178.062 176.503 1.559 19881 4769 1 19 . 1 1 20 20 PHE CA C 20 60.202 60.202 60.165 0.037 19881 4770 1 19 . 1 1 20 20 PHE CB C 20 40.126 40.126 39.636 0.490 19881 4771 1 19 . 1 1 20 20 PHE H H 20 8.451 8.451 8.781 -0.330 19881 4772 1 19 . 1 1 21 21 GLY N N 21 108.705 108.705 104.677 4.028 19881 4773 1 19 . 1 1 21 21 GLY C C 21 173.997 173.997 173.969 0.028 19881 4774 1 19 . 1 1 21 21 GLY CA C 21 46.189 46.189 45.166 1.023 19881 4775 1 19 . 1 1 21 21 GLY H H 21 8.754 8.754 7.927 0.827 19881 4776 1 19 . 1 1 22 22 THR N N 22 111.556 111.556 109.735 1.821 19881 4777 1 19 . 1 1 22 22 THR HA H 22 4.080 4.080 3.926 0.154 19881 4778 1 19 . 1 1 22 22 THR CA C 22 64.722 64.722 63.163 1.559 19881 4779 1 19 . 1 1 22 22 THR CB C 22 69.150 69.150 67.811 1.339 19881 4780 1 19 . 1 1 22 22 THR H H 22 8.190 8.190 7.884 0.306 19881 4781 1 19 . 1 1 23 23 LYS N N 23 121.733 121.733 117.849 3.884 19881 4782 1 19 . 1 1 23 23 LYS HA H 23 4.175 4.175 4.467 -0.292 19881 4783 1 19 . 1 1 23 23 LYS C C 23 178.622 178.622 176.810 1.812 19881 4784 1 19 . 1 1 23 23 LYS CA C 23 58.378 58.378 57.032 1.346 19881 4785 1 19 . 1 1 23 23 LYS CB C 23 31.639 31.639 33.079 -1.440 19881 4786 1 19 . 1 1 23 23 LYS H H 23 8.165 8.165 8.500 -0.335 19881 4787 1 19 . 1 1 24 24 LYS N N 24 118.854 118.854 122.143 -3.289 19881 4788 1 19 . 1 1 24 24 LYS HA H 24 4.246 4.246 4.390 -0.144 19881 4789 1 19 . 1 1 24 24 LYS C C 24 177.705 177.705 178.093 -0.388 19881 4790 1 19 . 1 1 24 24 LYS CA C 24 57.026 57.026 58.278 -1.252 19881 4791 1 19 . 1 1 24 24 LYS CB C 24 32.471 32.471 32.133 0.338 19881 4792 1 19 . 1 1 24 24 LYS H H 24 8.144 8.144 7.994 0.150 19881 4793 1 19 . 1 1 25 25 LEU N N 25 118.583 118.583 119.347 -0.764 19881 4794 1 19 . 1 1 25 25 LEU HA H 25 4.148 4.148 4.157 -0.009 19881 4795 1 19 . 1 1 25 25 LEU C C 25 177.815 177.815 179.186 -1.371 19881 4796 1 19 . 1 1 25 25 LEU CA C 25 56.511 56.511 57.944 -1.433 19881 4797 1 19 . 1 1 25 25 LEU CB C 25 41.955 41.955 40.799 1.156 19881 4798 1 19 . 1 1 25 25 LEU H H 25 7.820 7.820 7.992 -0.172 19881 4799 1 19 . 1 1 26 26 GLY N N 26 106.160 106.160 104.507 1.653 19881 4800 1 19 . 1 1 26 26 GLY C C 26 175.013 175.013 175.476 -0.463 19881 4801 1 19 . 1 1 26 26 GLY CA C 26 46.414 46.414 46.610 -0.196 19881 4802 1 19 . 1 1 26 26 GLY H H 26 8.146 8.146 8.322 -0.176 19881 4803 1 19 . 1 1 27 27 SER N N 27 116.361 116.361 115.626 0.735 19881 4804 1 19 . 1 1 27 27 SER HA H 27 4.441 4.441 4.413 0.028 19881 4805 1 19 . 1 1 27 27 SER C C 27 175.407 175.407 176.142 -0.735 19881 4806 1 19 . 1 1 27 27 SER CA C 27 59.665 59.665 60.394 -0.729 19881 4807 1 19 . 1 1 27 27 SER CB C 27 63.672 63.672 63.589 0.083 19881 4808 1 19 . 1 1 27 27 SER H H 27 8.046 8.046 7.303 0.743 19881 4809 1 19 . 1 1 28 28 ILE N N 28 121.108 121.108 114.624 6.484 19881 4810 1 19 . 1 1 28 28 ILE HA H 28 4.090 4.090 4.475 -0.385 19881 4811 1 19 . 1 1 28 28 ILE C C 28 176.733 176.733 177.375 -0.642 19881 4812 1 19 . 1 1 28 28 ILE CA C 28 62.883 62.883 62.883 0.000 19881 4813 1 19 . 1 1 28 28 ILE CB C 28 38.348 38.348 38.400 -0.052 19881 4814 1 19 . 1 1 28 28 ILE H H 28 7.847 7.847 8.310 -0.463 19881 4815 1 19 . 1 1 29 29 GLY N N 29 109.304 109.304 108.731 0.573 19881 4816 1 19 . 1 1 29 29 GLY C C 29 174.534 174.534 176.088 -1.554 19881 4817 1 19 . 1 1 29 29 GLY CA C 29 46.278 46.278 47.571 -1.293 19881 4818 1 19 . 1 1 29 29 GLY H H 29 8.329 8.329 8.601 -0.272 19881 4819 1 19 . 1 1 30 30 SER N N 30 115.814 115.814 115.741 0.073 19881 4820 1 19 . 1 1 30 30 SER HA H 30 4.301 4.301 4.214 0.087 19881 4821 1 19 . 1 1 30 30 SER C C 30 175.445 175.445 176.429 -0.984 19881 4822 1 19 . 1 1 30 30 SER CA C 30 60.378 60.378 61.793 -1.415 19881 4823 1 19 . 1 1 30 30 SER CB C 30 63.575 63.575 63.125 0.450 19881 4824 1 19 . 1 1 30 30 SER H H 30 8.026 8.026 7.946 0.080 19881 4825 1 19 . 1 1 31 31 ASP N N 31 122.351 122.351 122.610 -0.259 19881 4826 1 19 . 1 1 31 31 ASP HA H 31 4.648 4.648 4.484 0.164 19881 4827 1 19 . 1 1 31 31 ASP C C 31 177.501 177.501 178.603 -1.102 19881 4828 1 19 . 1 1 31 31 ASP CA C 31 55.138 55.138 56.985 -1.847 19881 4829 1 19 . 1 1 31 31 ASP CB C 31 40.847 40.847 40.485 0.362 19881 4830 1 19 . 1 1 31 31 ASP H H 31 8.261 8.261 7.691 0.570 19881 4831 1 19 . 1 1 32 32 LEU N N 32 123.303 123.303 120.690 2.613 19881 4832 1 19 . 1 1 32 32 LEU HA H 32 4.146 4.146 4.078 0.068 19881 4833 1 19 . 1 1 32 32 LEU C C 32 178.653 178.653 179.279 -0.626 19881 4834 1 19 . 1 1 32 32 LEU CA C 32 57.539 57.539 58.010 -0.471 19881 4835 1 19 . 1 1 32 32 LEU CB C 32 42.175 42.175 41.486 0.689 19881 4836 1 19 . 1 1 32 32 LEU H H 32 8.400 8.400 7.869 0.531 19881 4837 1 19 . 1 1 33 33 GLY N N 33 107.221 107.221 106.743 0.478 19881 4838 1 19 . 1 1 33 33 GLY C C 33 175.646 175.646 175.590 0.056 19881 4839 1 19 . 1 1 33 33 GLY CA C 33 47.342 47.342 47.216 0.126 19881 4840 1 19 . 1 1 33 33 GLY H H 33 8.582 8.582 8.772 -0.190 19881 4841 1 19 . 1 1 34 34 ALA N N 34 123.643 123.643 123.885 -0.242 19881 4842 1 19 . 1 1 34 34 ALA HA H 34 4.165 4.165 4.208 -0.043 19881 4843 1 19 . 1 1 34 34 ALA C C 34 180.302 180.302 179.528 0.774 19881 4844 1 19 . 1 1 34 34 ALA CA C 34 54.422 54.422 54.754 -0.332 19881 4845 1 19 . 1 1 34 34 ALA CB C 34 18.645 18.645 18.467 0.178 19881 4846 1 19 . 1 1 34 34 ALA H H 34 8.012 8.012 8.023 -0.011 19881 4847 1 19 . 1 1 35 35 SER N N 35 115.942 115.942 114.832 1.110 19881 4848 1 19 . 1 1 35 35 SER HA H 35 4.342 4.342 4.246 0.096 19881 4849 1 19 . 1 1 35 35 SER C C 35 176.430 176.430 176.797 -0.367 19881 4850 1 19 . 1 1 35 35 SER CA C 35 61.552 61.552 61.707 -0.155 19881 4851 1 19 . 1 1 35 35 SER CB C 35 63.404 63.404 63.215 0.189 19881 4852 1 19 . 1 1 35 35 SER H H 35 8.021 8.021 8.480 -0.459 19881 4853 1 19 . 1 1 36 36 ILE N N 36 121.829 121.829 122.386 -0.557 19881 4854 1 19 . 1 1 36 36 ILE HA H 36 3.855 3.855 3.862 -0.007 19881 4855 1 19 . 1 1 36 36 ILE C C 36 177.310 177.310 177.400 -0.090 19881 4856 1 19 . 1 1 36 36 ILE CA C 36 64.467 64.467 63.435 1.032 19881 4857 1 19 . 1 1 36 36 ILE CB C 36 37.790 37.790 37.690 0.100 19881 4858 1 19 . 1 1 36 36 ILE H H 36 8.170 8.170 8.375 -0.205 19881 4859 1 19 . 1 1 37 37 LYS N N 37 120.804 120.804 120.938 -0.134 19881 4860 1 19 . 1 1 37 37 LYS HA H 37 3.998 3.998 3.980 0.018 19881 4861 1 19 . 1 1 37 37 LYS C C 37 178.932 178.932 179.360 -0.428 19881 4862 1 19 . 1 1 37 37 LYS CA C 37 59.665 59.665 60.426 -0.761 19881 4863 1 19 . 1 1 37 37 LYS CB C 37 32.400 32.400 32.169 0.231 19881 4864 1 19 . 1 1 37 37 LYS H H 37 8.039 8.039 7.994 0.045 19881 4865 1 19 . 1 1 38 38 GLY N N 38 107.479 107.479 106.488 0.991 19881 4866 1 19 . 1 1 38 38 GLY C C 38 176.690 176.690 176.083 0.607 19881 4867 1 19 . 1 1 38 38 GLY CA C 38 46.426 46.426 46.949 -0.523 19881 4868 1 19 . 1 1 38 38 GLY H H 38 8.145 8.145 8.331 -0.186 19881 4869 1 19 . 1 1 39 39 PHE N N 39 122.726 122.726 122.953 -0.227 19881 4870 1 19 . 1 1 39 39 PHE HA H 39 4.389 4.389 4.300 0.089 19881 4871 1 19 . 1 1 39 39 PHE C C 39 176.506 176.506 177.082 -0.576 19881 4872 1 19 . 1 1 39 39 PHE CA C 39 60.235 60.235 60.807 -0.572 19881 4873 1 19 . 1 1 39 39 PHE CB C 39 39.354 39.354 39.498 -0.145 19881 4874 1 19 . 1 1 39 39 PHE H H 39 8.078 8.078 7.990 0.088 19881 4875 1 19 . 1 1 40 40 LYS N N 40 119.668 119.668 119.116 0.552 19881 4876 1 19 . 1 1 40 40 LYS HA H 40 3.925 3.925 3.825 0.100 19881 4877 1 19 . 1 1 40 40 LYS C C 40 178.275 178.275 178.699 -0.424 19881 4878 1 19 . 1 1 40 40 LYS CA C 40 58.940 58.940 59.583 -0.643 19881 4879 1 19 . 1 1 40 40 LYS CB C 40 32.523 32.523 32.376 0.147 19881 4880 1 19 . 1 1 40 40 LYS H H 40 8.192 8.192 8.962 -0.770 19881 4881 1 19 . 1 1 41 41 LYS N N 41 120.878 120.878 118.920 1.958 19881 4882 1 19 . 1 1 41 41 LYS HA H 41 4.109 4.109 3.992 0.117 19881 4883 1 19 . 1 1 41 41 LYS C C 41 177.740 177.740 177.707 0.033 19881 4884 1 19 . 1 1 41 41 LYS CA C 41 58.105 58.105 58.796 -0.691 19881 4885 1 19 . 1 1 41 41 LYS CB C 41 32.516 32.516 32.425 0.091 19881 4886 1 19 . 1 1 41 41 LYS H H 41 7.997 7.997 8.062 -0.065 19881 4887 1 19 . 1 1 42 42 ALA N N 42 122.719 122.719 120.787 1.932 19881 4888 1 19 . 1 1 42 42 ALA HA H 42 4.213 4.213 4.073 0.140 19881 4889 1 19 . 1 1 42 42 ALA C C 42 178.450 178.450 179.195 -0.745 19881 4890 1 19 . 1 1 42 42 ALA CA C 42 53.586 53.586 54.305 -0.719 19881 4891 1 19 . 1 1 42 42 ALA CB C 42 18.919 18.919 18.852 0.066 19881 4892 1 19 . 1 1 42 42 ALA H H 42 7.900 7.900 7.515 0.385 19881 4893 1 19 . 1 1 43 43 MET N N 43 115.999 115.999 115.570 0.429 19881 4894 1 19 . 1 1 43 43 MET HA H 43 4.415 4.415 4.428 -0.013 19881 4895 1 19 . 1 1 43 43 MET C C 43 176.270 176.270 177.476 -1.206 19881 4896 1 19 . 1 1 43 43 MET CA C 43 55.488 55.488 54.290 1.198 19881 4897 1 19 . 1 1 43 43 MET CB C 43 33.279 33.279 32.557 0.722 19881 4898 1 19 . 1 1 43 43 MET H H 43 7.757 7.757 7.331 0.426 19881 4899 1 19 . 1 1 44 44 SER N N 44 115.396 115.396 114.610 0.786 19881 4900 1 19 . 1 1 44 44 SER HA H 44 4.463 4.463 3.998 0.465 19881 4901 1 19 . 1 1 44 44 SER C C 44 173.950 173.950 176.011 -2.061 19881 4902 1 19 . 1 1 44 44 SER CA C 44 58.536 58.536 60.044 -1.508 19881 4903 1 19 . 1 1 44 44 SER CB C 44 64.380 64.380 62.606 1.774 19881 4904 1 19 . 1 1 44 44 SER H H 44 7.821 7.821 8.459 -0.638 19881 4905 1 19 . 1 1 45 45 ASP N N 45 123.208 123.208 120.664 2.544 19881 4906 1 19 . 1 1 45 45 ASP HA H 45 4.576 4.576 4.386 0.190 19881 4907 1 19 . 1 1 45 45 ASP C C 45 175.990 175.990 178.047 -2.057 19881 4908 1 19 . 1 1 45 45 ASP CA C 45 54.264 54.264 56.586 -2.322 19881 4909 1 19 . 1 1 45 45 ASP CB C 45 41.410 41.410 40.315 1.095 19881 4910 1 19 . 1 1 45 45 ASP H H 45 8.293 8.293 8.294 -0.001 19881 4911 1 19 . 1 1 46 46 ASP N N 46 121.430 121.430 119.153 2.277 19881 4912 1 19 . 1 1 46 46 ASP HA H 46 4.542 4.542 4.618 -0.076 19881 4913 1 19 . 1 1 46 46 ASP C C 46 176.060 176.060 175.329 0.731 19881 4914 1 19 . 1 1 46 46 ASP CA C 46 54.250 54.250 52.655 1.595 19881 4915 1 19 . 1 1 46 46 ASP CB C 46 41.500 41.500 39.652 1.848 19881 4916 1 19 . 1 1 46 46 ASP H H 46 8.239 8.239 8.381 -0.142 19881 4917 1 19 . 1 1 47 47 GLU N N 47 123.031 123.031 119.948 3.083 19881 4918 1 19 . 1 1 47 47 GLU HA H 47 4.528 4.528 4.217 0.311 19881 4919 1 19 . 1 1 47 47 GLU CA C 47 54.651 54.651 55.297 -0.646 19881 4920 1 19 . 1 1 47 47 GLU CB C 47 29.910 29.910 29.017 0.893 19881 4921 1 19 . 1 1 47 47 GLU H H 47 8.163 8.163 7.568 0.595 19881 4922 1 20 . 1 1 2 2 GLY N N 2 109.485 109.485 109.890 -0.405 19881 4923 1 20 . 1 1 2 2 GLY C C 2 174.370 174.370 174.543 -0.173 19881 4924 1 20 . 1 1 2 2 GLY CA C 2 46.411 46.411 45.290 1.121 19881 4925 1 20 . 1 1 2 2 GLY H H 2 8.713 8.713 8.734 -0.021 19881 4926 1 20 . 1 1 3 3 GLY N N 3 108.308 108.308 107.113 1.195 19881 4927 1 20 . 1 1 3 3 GLY C C 3 173.840 173.840 173.527 0.313 19881 4928 1 20 . 1 1 3 3 GLY CA C 3 45.276 45.276 44.733 0.543 19881 4929 1 20 . 1 1 3 3 GLY H H 3 8.326 8.326 7.833 0.493 19881 4930 1 20 . 1 1 4 4 ILE N N 4 120.682 120.682 122.239 -1.557 19881 4931 1 20 . 1 1 4 4 ILE HA H 4 4.330 4.330 4.424 -0.094 19881 4932 1 20 . 1 1 4 4 ILE CA C 4 60.610 60.610 61.098 -0.488 19881 4933 1 20 . 1 1 4 4 ILE CB C 4 39.100 39.100 38.342 0.758 19881 4934 1 20 . 1 1 4 4 ILE H H 4 7.605 7.605 7.911 -0.306 19881 4935 1 20 . 1 1 5 5 SER N N 5 121.157 121.157 124.160 -3.003 19881 4936 1 20 . 1 1 5 5 SER HA H 5 4.676 4.676 4.551 0.125 19881 4937 1 20 . 1 1 5 5 SER C C 5 175.720 175.720 173.879 1.841 19881 4938 1 20 . 1 1 5 5 SER CA C 5 57.000 57.000 59.464 -2.464 19881 4939 1 20 . 1 1 5 5 SER CB C 5 65.760 65.760 64.412 1.348 19881 4940 1 20 . 1 1 5 5 SER H H 5 8.167 8.167 8.744 -0.577 19881 4941 1 20 . 1 1 6 6 ILE N N 6 123.227 123.227 121.513 1.714 19881 4942 1 20 . 1 1 6 6 ILE HA H 6 3.771 3.771 4.197 -0.426 19881 4943 1 20 . 1 1 6 6 ILE C C 6 176.660 176.660 177.025 -0.365 19881 4944 1 20 . 1 1 6 6 ILE CA C 6 63.890 63.890 61.909 1.981 19881 4945 1 20 . 1 1 6 6 ILE CB C 6 37.173 37.173 38.424 -1.251 19881 4946 1 20 . 1 1 6 6 ILE H H 6 9.080 9.080 8.225 0.855 19881 4947 1 20 . 1 1 7 7 TRP N N 7 119.286 119.286 121.100 -1.814 19881 4948 1 20 . 1 1 7 7 TRP HA H 7 4.365 4.365 4.231 0.134 19881 4949 1 20 . 1 1 7 7 TRP C C 7 177.800 177.800 178.417 -0.617 19881 4950 1 20 . 1 1 7 7 TRP CA C 7 59.411 59.411 61.512 -2.101 19881 4951 1 20 . 1 1 7 7 TRP CB C 7 29.263 29.263 29.013 0.250 19881 4952 1 20 . 1 1 7 7 TRP H H 7 7.536 7.536 8.159 -0.624 19881 4953 1 20 . 1 1 8 8 GLN N N 8 117.821 117.821 118.053 -0.232 19881 4954 1 20 . 1 1 8 8 GLN HA H 8 3.732 3.732 4.129 -0.397 19881 4955 1 20 . 1 1 8 8 GLN C C 8 177.765 177.765 178.409 -0.644 19881 4956 1 20 . 1 1 8 8 GLN CA C 8 59.367 59.367 59.581 -0.214 19881 4957 1 20 . 1 1 8 8 GLN CB C 8 28.094 28.094 27.614 0.480 19881 4958 1 20 . 1 1 8 8 GLN H H 8 7.132 7.132 8.723 -1.591 19881 4959 1 20 . 1 1 9 9 LEU N N 9 118.175 118.175 119.810 -1.635 19881 4960 1 20 . 1 1 9 9 LEU HA H 9 3.916 3.916 4.082 -0.166 19881 4961 1 20 . 1 1 9 9 LEU C C 9 178.096 178.096 179.275 -1.179 19881 4962 1 20 . 1 1 9 9 LEU CA C 9 58.057 58.057 57.995 0.062 19881 4963 1 20 . 1 1 9 9 LEU CB C 9 41.803 41.803 40.750 1.053 19881 4964 1 20 . 1 1 9 9 LEU H H 9 7.680 7.680 8.280 -0.600 19881 4965 1 20 . 1 1 10 10 LEU N N 10 118.370 118.370 120.643 -2.273 19881 4966 1 20 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.881 0.073 19881 4967 1 20 . 1 1 10 10 LEU C C 10 177.930 177.930 179.247 -1.317 19881 4968 1 20 . 1 1 10 10 LEU CA C 10 58.215 58.215 58.491 -0.276 19881 4969 1 20 . 1 1 10 10 LEU CB C 10 41.770 41.770 41.767 0.003 19881 4970 1 20 . 1 1 10 10 LEU H H 10 8.182 8.182 8.152 0.030 19881 4971 1 20 . 1 1 11 11 ILE N N 11 117.907 117.907 119.655 -1.748 19881 4972 1 20 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.730 -0.114 19881 4973 1 20 . 1 1 11 11 ILE C C 11 177.370 177.370 178.083 -0.713 19881 4974 1 20 . 1 1 11 11 ILE CA C 11 65.245 65.245 65.794 -0.549 19881 4975 1 20 . 1 1 11 11 ILE CB C 11 37.290 37.290 37.910 -0.620 19881 4976 1 20 . 1 1 11 11 ILE H H 11 7.676 7.676 7.768 -0.092 19881 4977 1 20 . 1 1 12 12 ILE N N 12 118.851 118.851 120.426 -1.575 19881 4978 1 20 . 1 1 12 12 ILE HA H 12 3.525 3.525 3.601 -0.076 19881 4979 1 20 . 1 1 12 12 ILE C C 12 176.908 176.908 177.830 -0.922 19881 4980 1 20 . 1 1 12 12 ILE CA C 12 65.463 65.463 65.865 -0.402 19881 4981 1 20 . 1 1 12 12 ILE CB C 12 37.450 37.450 37.581 -0.132 19881 4982 1 20 . 1 1 12 12 ILE H H 12 7.756 7.756 8.441 -0.685 19881 4983 1 20 . 1 1 13 13 ALA N N 13 121.114 121.114 122.650 -1.536 19881 4984 1 20 . 1 1 13 13 ALA HA H 13 3.822 3.822 4.067 -0.245 19881 4985 1 20 . 1 1 13 13 ALA C C 13 178.605 178.605 179.824 -1.219 19881 4986 1 20 . 1 1 13 13 ALA CA C 13 55.753 55.753 55.464 0.289 19881 4987 1 20 . 1 1 13 13 ALA CB C 13 17.799 17.799 18.151 -0.352 19881 4988 1 20 . 1 1 13 13 ALA H H 13 8.367 8.367 8.768 -0.401 19881 4989 1 20 . 1 1 14 14 VAL N N 14 116.560 116.560 119.317 -2.757 19881 4990 1 20 . 1 1 14 14 VAL HA H 14 3.418 3.418 3.686 -0.268 19881 4991 1 20 . 1 1 14 14 VAL C C 14 177.236 177.236 178.198 -0.962 19881 4992 1 20 . 1 1 14 14 VAL CA C 14 67.304 67.304 67.005 0.299 19881 4993 1 20 . 1 1 14 14 VAL CB C 14 31.360 31.360 31.375 -0.015 19881 4994 1 20 . 1 1 14 14 VAL H H 14 8.164 8.164 8.116 0.048 19881 4995 1 20 . 1 1 15 15 ILE N N 15 119.573 119.573 120.477 -0.904 19881 4996 1 20 . 1 1 15 15 ILE HA H 15 3.517 3.517 3.701 -0.184 19881 4997 1 20 . 1 1 15 15 ILE C C 15 177.490 177.490 178.367 -0.877 19881 4998 1 20 . 1 1 15 15 ILE CA C 15 65.828 65.828 65.843 -0.015 19881 4999 1 20 . 1 1 15 15 ILE CB C 15 37.364 37.364 37.796 -0.432 19881 5000 1 20 . 1 1 15 15 ILE H H 15 8.045 8.045 8.172 -0.127 19881 5001 1 20 . 1 1 16 16 VAL N N 16 118.777 118.777 120.372 -1.595 19881 5002 1 20 . 1 1 16 16 VAL HA H 16 3.597 3.597 3.926 -0.329 19881 5003 1 20 . 1 1 16 16 VAL C C 16 177.993 177.993 178.189 -0.196 19881 5004 1 20 . 1 1 16 16 VAL CA C 16 67.680 67.680 67.347 0.333 19881 5005 1 20 . 1 1 16 16 VAL CB C 16 31.240 31.240 31.502 -0.262 19881 5006 1 20 . 1 1 16 16 VAL H H 16 8.481 8.481 8.351 0.130 19881 5007 1 20 . 1 1 17 17 VAL N N 17 120.072 120.072 119.891 0.181 19881 5008 1 20 . 1 1 17 17 VAL HA H 17 3.602 3.602 3.744 -0.142 19881 5009 1 20 . 1 1 17 17 VAL C C 17 178.199 178.199 178.385 -0.186 19881 5010 1 20 . 1 1 17 17 VAL CA C 17 67.426 67.426 66.633 0.793 19881 5011 1 20 . 1 1 17 17 VAL CB C 17 31.187 31.187 31.098 0.089 19881 5012 1 20 . 1 1 17 17 VAL H H 17 8.329 8.329 8.163 0.166 19881 5013 1 20 . 1 1 18 18 LEU N N 18 120.167 120.167 118.238 1.929 19881 5014 1 20 . 1 1 18 18 LEU HA H 18 4.012 4.012 4.235 -0.223 19881 5015 1 20 . 1 1 18 18 LEU C C 18 178.985 178.985 179.251 -0.266 19881 5016 1 20 . 1 1 18 18 LEU CA C 18 58.130 58.130 58.358 -0.228 19881 5017 1 20 . 1 1 18 18 LEU CB C 18 42.045 42.045 41.025 1.020 19881 5018 1 20 . 1 1 18 18 LEU H H 18 8.413 8.413 7.761 0.652 19881 5019 1 20 . 1 1 19 19 LEU N N 19 118.603 118.603 119.955 -1.352 19881 5020 1 20 . 1 1 19 19 LEU HA H 19 3.984 3.984 4.008 -0.024 19881 5021 1 20 . 1 1 19 19 LEU C C 19 178.510 178.510 178.944 -0.434 19881 5022 1 20 . 1 1 19 19 LEU CA C 19 57.831 57.831 57.823 0.008 19881 5023 1 20 . 1 1 19 19 LEU CB C 19 42.406 42.406 41.424 0.982 19881 5024 1 20 . 1 1 19 19 LEU H H 19 8.420 8.420 8.430 -0.010 19881 5025 1 20 . 1 1 20 20 PHE N N 20 116.154 116.154 116.729 -0.575 19881 5026 1 20 . 1 1 20 20 PHE HA H 20 4.508 4.508 4.236 0.272 19881 5027 1 20 . 1 1 20 20 PHE C C 20 178.062 178.062 176.423 1.639 19881 5028 1 20 . 1 1 20 20 PHE CA C 20 60.202 60.202 60.584 -0.382 19881 5029 1 20 . 1 1 20 20 PHE CB C 20 40.126 40.126 39.683 0.443 19881 5030 1 20 . 1 1 20 20 PHE H H 20 8.451 8.451 8.597 -0.146 19881 5031 1 20 . 1 1 21 21 GLY N N 21 108.705 108.705 104.559 4.146 19881 5032 1 20 . 1 1 21 21 GLY C C 21 173.997 173.997 174.430 -0.433 19881 5033 1 20 . 1 1 21 21 GLY CA C 21 46.189 46.189 44.950 1.239 19881 5034 1 20 . 1 1 21 21 GLY H H 21 8.754 8.754 7.909 0.845 19881 5035 1 20 . 1 1 22 22 THR N N 22 111.556 111.556 110.981 0.575 19881 5036 1 20 . 1 1 22 22 THR HA H 22 4.080 4.080 3.939 0.141 19881 5037 1 20 . 1 1 22 22 THR CA C 22 64.722 64.722 63.419 1.303 19881 5038 1 20 . 1 1 22 22 THR CB C 22 69.150 69.150 68.100 1.050 19881 5039 1 20 . 1 1 22 22 THR H H 22 8.190 8.190 7.995 0.195 19881 5040 1 20 . 1 1 23 23 LYS N N 23 121.733 121.733 120.860 0.873 19881 5041 1 20 . 1 1 23 23 LYS HA H 23 4.175 4.175 4.348 -0.173 19881 5042 1 20 . 1 1 23 23 LYS C C 23 178.622 178.622 176.727 1.895 19881 5043 1 20 . 1 1 23 23 LYS CA C 23 58.378 58.378 57.547 0.831 19881 5044 1 20 . 1 1 23 23 LYS CB C 23 31.639 31.639 34.090 -2.450 19881 5045 1 20 . 1 1 23 23 LYS H H 23 8.165 8.165 8.415 -0.250 19881 5046 1 20 . 1 1 24 24 LYS N N 24 118.854 118.854 121.928 -3.074 19881 5047 1 20 . 1 1 24 24 LYS HA H 24 4.246 4.246 4.395 -0.149 19881 5048 1 20 . 1 1 24 24 LYS C C 24 177.705 177.705 178.552 -0.847 19881 5049 1 20 . 1 1 24 24 LYS CA C 24 57.026 57.026 59.128 -2.102 19881 5050 1 20 . 1 1 24 24 LYS CB C 24 32.471 32.471 32.090 0.381 19881 5051 1 20 . 1 1 24 24 LYS H H 24 8.144 8.144 8.270 -0.126 19881 5052 1 20 . 1 1 25 25 LEU N N 25 118.583 118.583 119.636 -1.053 19881 5053 1 20 . 1 1 25 25 LEU HA H 25 4.148 4.148 4.077 0.071 19881 5054 1 20 . 1 1 25 25 LEU C C 25 177.815 177.815 178.832 -1.017 19881 5055 1 20 . 1 1 25 25 LEU CA C 25 56.511 56.511 57.999 -1.488 19881 5056 1 20 . 1 1 25 25 LEU CB C 25 41.955 41.955 40.608 1.347 19881 5057 1 20 . 1 1 25 25 LEU H H 25 7.820 7.820 8.084 -0.264 19881 5058 1 20 . 1 1 26 26 GLY N N 26 106.160 106.160 103.790 2.370 19881 5059 1 20 . 1 1 26 26 GLY C C 26 175.013 175.013 175.500 -0.487 19881 5060 1 20 . 1 1 26 26 GLY CA C 26 46.414 46.414 46.575 -0.161 19881 5061 1 20 . 1 1 26 26 GLY H H 26 8.146 8.146 8.413 -0.267 19881 5062 1 20 . 1 1 27 27 SER N N 27 116.361 116.361 116.149 0.212 19881 5063 1 20 . 1 1 27 27 SER HA H 27 4.441 4.441 4.417 0.024 19881 5064 1 20 . 1 1 27 27 SER C C 27 175.407 175.407 175.681 -0.274 19881 5065 1 20 . 1 1 27 27 SER CA C 27 59.665 59.665 61.723 -2.058 19881 5066 1 20 . 1 1 27 27 SER CB C 27 63.672 63.672 64.385 -0.713 19881 5067 1 20 . 1 1 27 27 SER H H 27 8.046 8.046 7.698 0.348 19881 5068 1 20 . 1 1 28 28 ILE N N 28 121.108 121.108 115.741 5.367 19881 5069 1 20 . 1 1 28 28 ILE HA H 28 4.090 4.090 4.423 -0.333 19881 5070 1 20 . 1 1 28 28 ILE C C 28 176.733 176.733 177.190 -0.457 19881 5071 1 20 . 1 1 28 28 ILE CA C 28 62.883 62.883 62.770 0.113 19881 5072 1 20 . 1 1 28 28 ILE CB C 28 38.348 38.348 38.305 0.043 19881 5073 1 20 . 1 1 28 28 ILE H H 28 7.847 7.847 8.754 -0.907 19881 5074 1 20 . 1 1 29 29 GLY N N 29 109.304 109.304 109.078 0.226 19881 5075 1 20 . 1 1 29 29 GLY C C 29 174.534 174.534 176.366 -1.832 19881 5076 1 20 . 1 1 29 29 GLY CA C 29 46.278 46.278 47.521 -1.243 19881 5077 1 20 . 1 1 29 29 GLY H H 29 8.329 8.329 8.316 0.013 19881 5078 1 20 . 1 1 30 30 SER N N 30 115.814 115.814 116.512 -0.698 19881 5079 1 20 . 1 1 30 30 SER HA H 30 4.301 4.301 4.234 0.067 19881 5080 1 20 . 1 1 30 30 SER C C 30 175.445 175.445 176.371 -0.926 19881 5081 1 20 . 1 1 30 30 SER CA C 30 60.378 60.378 61.406 -1.028 19881 5082 1 20 . 1 1 30 30 SER CB C 30 63.575 63.575 62.826 0.749 19881 5083 1 20 . 1 1 30 30 SER H H 30 8.026 8.026 8.152 -0.126 19881 5084 1 20 . 1 1 31 31 ASP N N 31 122.351 122.351 122.342 0.009 19881 5085 1 20 . 1 1 31 31 ASP HA H 31 4.648 4.648 4.521 0.127 19881 5086 1 20 . 1 1 31 31 ASP C C 31 177.501 177.501 178.617 -1.116 19881 5087 1 20 . 1 1 31 31 ASP CA C 31 55.138 55.138 56.859 -1.721 19881 5088 1 20 . 1 1 31 31 ASP CB C 31 40.847 40.847 40.520 0.327 19881 5089 1 20 . 1 1 31 31 ASP H H 31 8.261 8.261 7.615 0.646 19881 5090 1 20 . 1 1 32 32 LEU N N 32 123.303 123.303 120.901 2.402 19881 5091 1 20 . 1 1 32 32 LEU HA H 32 4.146 4.146 4.104 0.042 19881 5092 1 20 . 1 1 32 32 LEU C C 32 178.653 178.653 179.157 -0.504 19881 5093 1 20 . 1 1 32 32 LEU CA C 32 57.539 57.539 57.961 -0.422 19881 5094 1 20 . 1 1 32 32 LEU CB C 32 42.175 42.175 41.524 0.651 19881 5095 1 20 . 1 1 32 32 LEU H H 32 8.400 8.400 8.243 0.157 19881 5096 1 20 . 1 1 33 33 GLY N N 33 107.221 107.221 106.602 0.619 19881 5097 1 20 . 1 1 33 33 GLY C C 33 175.646 175.646 175.493 0.153 19881 5098 1 20 . 1 1 33 33 GLY CA C 33 47.342 47.342 47.343 -0.001 19881 5099 1 20 . 1 1 33 33 GLY H H 33 8.582 8.582 8.816 -0.234 19881 5100 1 20 . 1 1 34 34 ALA N N 34 123.643 123.643 123.717 -0.074 19881 5101 1 20 . 1 1 34 34 ALA HA H 34 4.165 4.165 4.209 -0.044 19881 5102 1 20 . 1 1 34 34 ALA C C 34 180.302 180.302 179.823 0.479 19881 5103 1 20 . 1 1 34 34 ALA CA C 34 54.422 54.422 54.766 -0.344 19881 5104 1 20 . 1 1 34 34 ALA CB C 34 18.645 18.645 18.511 0.134 19881 5105 1 20 . 1 1 34 34 ALA H H 34 8.012 8.012 7.756 0.256 19881 5106 1 20 . 1 1 35 35 SER N N 35 115.942 115.942 115.985 -0.043 19881 5107 1 20 . 1 1 35 35 SER HA H 35 4.342 4.342 4.164 0.178 19881 5108 1 20 . 1 1 35 35 SER C C 35 176.430 176.430 176.893 -0.463 19881 5109 1 20 . 1 1 35 35 SER CA C 35 61.552 61.552 61.763 -0.211 19881 5110 1 20 . 1 1 35 35 SER CB C 35 63.404 63.404 63.202 0.202 19881 5111 1 20 . 1 1 35 35 SER H H 35 8.021 8.021 8.223 -0.202 19881 5112 1 20 . 1 1 36 36 ILE N N 36 121.829 121.829 122.362 -0.533 19881 5113 1 20 . 1 1 36 36 ILE HA H 36 3.855 3.855 3.839 0.016 19881 5114 1 20 . 1 1 36 36 ILE C C 36 177.310 177.310 177.122 0.188 19881 5115 1 20 . 1 1 36 36 ILE CA C 36 64.467 64.467 64.552 -0.085 19881 5116 1 20 . 1 1 36 36 ILE CB C 36 37.790 37.790 37.755 0.035 19881 5117 1 20 . 1 1 36 36 ILE H H 36 8.170 8.170 8.544 -0.374 19881 5118 1 20 . 1 1 37 37 LYS N N 37 120.804 120.804 121.132 -0.328 19881 5119 1 20 . 1 1 37 37 LYS HA H 37 3.998 3.998 4.032 -0.034 19881 5120 1 20 . 1 1 37 37 LYS C C 37 178.932 178.932 179.249 -0.317 19881 5121 1 20 . 1 1 37 37 LYS CA C 37 59.665 59.665 60.111 -0.446 19881 5122 1 20 . 1 1 37 37 LYS CB C 37 32.400 32.400 31.798 0.602 19881 5123 1 20 . 1 1 37 37 LYS H H 37 8.039 8.039 8.145 -0.106 19881 5124 1 20 . 1 1 38 38 GLY N N 38 107.479 107.479 107.425 0.054 19881 5125 1 20 . 1 1 38 38 GLY C C 38 176.690 176.690 176.195 0.495 19881 5126 1 20 . 1 1 38 38 GLY CA C 38 46.426 46.426 46.782 -0.356 19881 5127 1 20 . 1 1 38 38 GLY H H 38 8.145 8.145 8.182 -0.037 19881 5128 1 20 . 1 1 39 39 PHE N N 39 122.726 122.726 123.335 -0.609 19881 5129 1 20 . 1 1 39 39 PHE HA H 39 4.389 4.389 4.308 0.081 19881 5130 1 20 . 1 1 39 39 PHE C C 39 176.506 176.506 177.267 -0.761 19881 5131 1 20 . 1 1 39 39 PHE CA C 39 60.235 60.235 60.703 -0.468 19881 5132 1 20 . 1 1 39 39 PHE CB C 39 39.354 39.354 39.420 -0.066 19881 5133 1 20 . 1 1 39 39 PHE H H 39 8.078 8.078 8.390 -0.312 19881 5134 1 20 . 1 1 40 40 LYS N N 40 119.668 119.668 119.378 0.290 19881 5135 1 20 . 1 1 40 40 LYS HA H 40 3.925 3.925 3.925 0.000 19881 5136 1 20 . 1 1 40 40 LYS C C 40 178.275 178.275 178.822 -0.547 19881 5137 1 20 . 1 1 40 40 LYS CA C 40 58.940 58.940 58.489 0.451 19881 5138 1 20 . 1 1 40 40 LYS CB C 40 32.523 32.523 31.844 0.679 19881 5139 1 20 . 1 1 40 40 LYS H H 40 8.192 8.192 8.900 -0.708 19881 5140 1 20 . 1 1 41 41 LYS N N 41 120.878 120.878 119.403 1.475 19881 5141 1 20 . 1 1 41 41 LYS HA H 41 4.109 4.109 4.025 0.084 19881 5142 1 20 . 1 1 41 41 LYS C C 41 177.740 177.740 178.324 -0.584 19881 5143 1 20 . 1 1 41 41 LYS CA C 41 58.105 58.105 59.144 -1.039 19881 5144 1 20 . 1 1 41 41 LYS CB C 41 32.516 32.516 32.272 0.244 19881 5145 1 20 . 1 1 41 41 LYS H H 41 7.997 7.997 8.125 -0.128 19881 5146 1 20 . 1 1 42 42 ALA N N 42 122.719 122.719 120.937 1.782 19881 5147 1 20 . 1 1 42 42 ALA HA H 42 4.213 4.213 4.071 0.142 19881 5148 1 20 . 1 1 42 42 ALA C C 42 178.450 178.450 179.018 -0.568 19881 5149 1 20 . 1 1 42 42 ALA CA C 42 53.586 53.586 54.396 -0.810 19881 5150 1 20 . 1 1 42 42 ALA CB C 42 18.919 18.919 18.975 -0.056 19881 5151 1 20 . 1 1 42 42 ALA H H 42 7.900 7.900 7.678 0.222 19881 5152 1 20 . 1 1 43 43 MET N N 43 115.999 115.999 117.398 -1.399 19881 5153 1 20 . 1 1 43 43 MET HA H 43 4.415 4.415 4.296 0.119 19881 5154 1 20 . 1 1 43 43 MET C C 43 176.270 176.270 176.825 -0.555 19881 5155 1 20 . 1 1 43 43 MET CA C 43 55.488 55.488 55.355 0.133 19881 5156 1 20 . 1 1 43 43 MET CB C 43 33.279 33.279 33.114 0.165 19881 5157 1 20 . 1 1 43 43 MET H H 43 7.757 7.757 7.697 0.060 19881 5158 1 20 . 1 1 44 44 SER N N 44 115.396 115.396 116.901 -1.505 19881 5159 1 20 . 1 1 44 44 SER HA H 44 4.463 4.463 4.138 0.325 19881 5160 1 20 . 1 1 44 44 SER C C 44 173.950 173.950 173.926 0.024 19881 5161 1 20 . 1 1 44 44 SER CA C 44 58.536 58.536 59.767 -1.231 19881 5162 1 20 . 1 1 44 44 SER CB C 44 64.380 64.380 63.682 0.697 19881 5163 1 20 . 1 1 44 44 SER H H 44 7.821 7.821 7.953 -0.132 19881 5164 1 20 . 1 1 45 45 ASP N N 45 123.208 123.208 121.995 1.213 19881 5165 1 20 . 1 1 45 45 ASP HA H 45 4.576 4.576 4.552 0.024 19881 5166 1 20 . 1 1 45 45 ASP C C 45 175.990 175.990 175.094 0.896 19881 5167 1 20 . 1 1 45 45 ASP CA C 45 54.264 54.264 54.146 0.118 19881 5168 1 20 . 1 1 45 45 ASP CB C 45 41.410 41.410 42.241 -0.831 19881 5169 1 20 . 1 1 45 45 ASP H H 45 8.293 8.293 8.072 0.221 19881 5170 1 20 . 1 1 46 46 ASP N N 46 121.430 121.430 123.318 -1.888 19881 5171 1 20 . 1 1 46 46 ASP HA H 46 4.542 4.542 4.280 0.262 19881 5172 1 20 . 1 1 46 46 ASP C C 46 176.060 176.060 175.020 1.040 19881 5173 1 20 . 1 1 46 46 ASP CA C 46 54.250 54.250 55.077 -0.827 19881 5174 1 20 . 1 1 46 46 ASP CB C 46 41.500 41.500 40.551 0.949 19881 5175 1 20 . 1 1 46 46 ASP H H 46 8.239 8.239 8.530 -0.291 19881 5176 1 20 . 1 1 47 47 GLU N N 47 123.031 123.031 119.368 3.663 19881 5177 1 20 . 1 1 47 47 GLU HA H 47 4.528 4.528 4.363 0.165 19881 5178 1 20 . 1 1 47 47 GLU CA C 47 54.651 54.651 55.756 -1.105 19881 5179 1 20 . 1 1 47 47 GLU CB C 47 29.910 29.910 30.022 -0.112 19881 5180 1 20 . 1 1 47 47 GLU H H 47 8.163 8.163 8.246 -0.083 19881 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 46 2.074 -0.295 2.076 19881 2 1 1 "Average Difference" HA 53 0.188 -0.022 0.189 19881 3 1 1 "Average Difference" C 43 0.838 0.328 0.780 19881 4 1 1 "Average Difference" CA 46 1.089 0.372 1.035 19881 5 1 1 "Average Difference" CB 39 0.811 -0.174 0.802 19881 6 1 1 "Average Difference" HN 46 0.457 0.068 0.456 19881 7 1 2 "Average Difference" N 46 2.485 -0.495 2.462 19881 8 1 2 "Average Difference" HA 53 0.181 -0.052 0.175 19881 9 1 2 "Average Difference" C 43 0.941 0.466 0.827 19881 10 1 2 "Average Difference" CA 46 1.145 0.431 1.072 19881 11 1 2 "Average Difference" CB 39 0.828 -0.316 0.776 19881 12 1 2 "Average Difference" HN 46 0.494 -0.018 0.499 19881 13 1 3 "Average Difference" N 46 2.088 -0.011 2.111 19881 14 1 3 "Average Difference" HA 53 0.190 -0.010 0.192 19881 15 1 3 "Average Difference" C 43 0.738 0.297 0.684 19881 16 1 3 "Average Difference" CA 46 0.835 0.163 0.828 19881 17 1 3 "Average Difference" CB 39 0.762 -0.255 0.727 19881 18 1 3 "Average Difference" HN 46 0.432 0.018 0.437 19881 19 1 4 "Average Difference" N 46 1.860 -0.097 1.878 19881 20 1 4 "Average Difference" HA 53 0.187 -0.028 0.187 19881 21 1 4 "Average Difference" C 43 0.801 0.377 0.715 19881 22 1 4 "Average Difference" CA 46 0.870 0.345 0.807 19881 23 1 4 "Average Difference" CB 39 0.836 -0.309 0.787 19881 24 1 4 "Average Difference" HN 46 0.429 0.036 0.432 19881 25 1 5 "Average Difference" N 46 2.188 -0.439 2.168 19881 26 1 5 "Average Difference" HA 53 0.187 -0.031 0.186 19881 27 1 5 "Average Difference" C 43 0.757 0.291 0.708 19881 28 1 5 "Average Difference" CA 46 0.942 0.186 0.933 19881 29 1 5 "Average Difference" CB 39 0.748 -0.145 0.744 19881 30 1 5 "Average Difference" HN 46 0.450 0.014 0.455 19881 31 1 6 "Average Difference" N 46 1.879 -0.066 1.899 19881 32 1 6 "Average Difference" HA 53 0.200 -0.041 0.198 19881 33 1 6 "Average Difference" C 43 0.776 0.309 0.720 19881 34 1 6 "Average Difference" CA 46 1.030 0.256 1.008 19881 35 1 6 "Average Difference" CB 39 0.961 -0.354 0.905 19881 36 1 6 "Average Difference" HN 46 0.448 0.007 0.452 19881 37 1 7 "Average Difference" N 46 2.623 -0.636 2.573 19881 38 1 7 "Average Difference" HA 53 0.220 0.010 0.221 19881 39 1 7 "Average Difference" C 43 0.805 0.359 0.729 19881 40 1 7 "Average Difference" CA 46 1.000 0.253 0.978 19881 41 1 7 "Average Difference" CB 39 0.735 -0.254 0.699 19881 42 1 7 "Average Difference" HN 46 0.447 -0.021 0.451 19881 43 1 8 "Average Difference" N 46 1.893 -0.027 1.914 19881 44 1 8 "Average Difference" HA 53 0.215 -0.031 0.214 19881 45 1 8 "Average Difference" C 43 0.722 0.375 0.625 19881 46 1 8 "Average Difference" CA 46 1.020 0.238 1.003 19881 47 1 8 "Average Difference" CB 39 0.791 -0.336 0.725 19881 48 1 8 "Average Difference" HN 46 0.480 0.019 0.485 19881 49 1 9 "Average Difference" N 46 1.688 -0.098 1.703 19881 50 1 9 "Average Difference" HA 53 0.203 -0.030 0.203 19881 51 1 9 "Average Difference" C 43 0.739 0.375 0.645 19881 52 1 9 "Average Difference" CA 46 0.830 0.280 0.790 19881 53 1 9 "Average Difference" CB 39 0.669 -0.212 0.643 19881 54 1 9 "Average Difference" HN 46 0.427 -0.047 0.429 19881 55 1 10 "Average Difference" N 46 1.740 -0.266 1.739 19881 56 1 10 "Average Difference" HA 53 0.176 -0.054 0.169 19881 57 1 10 "Average Difference" C 43 0.777 0.386 0.682 19881 58 1 10 "Average Difference" CA 46 0.903 0.130 0.903 19881 59 1 10 "Average Difference" CB 39 0.702 -0.388 0.592 19881 60 1 10 "Average Difference" HN 46 0.471 -0.042 0.474 19881 61 1 11 "Average Difference" N 46 2.514 -0.523 2.486 19881 62 1 11 "Average Difference" HA 53 0.212 -0.048 0.209 19881 63 1 11 "Average Difference" C 43 0.795 0.396 0.697 19881 64 1 11 "Average Difference" CA 46 0.965 0.283 0.933 19881 65 1 11 "Average Difference" CB 39 0.712 -0.324 0.643 19881 66 1 11 "Average Difference" HN 46 0.471 -0.060 0.473 19881 67 1 12 "Average Difference" N 46 2.389 -0.569 2.346 19881 68 1 12 "Average Difference" HA 53 0.201 -0.042 0.198 19881 69 1 12 "Average Difference" C 43 0.781 0.362 0.700 19881 70 1 12 "Average Difference" CA 46 0.910 0.316 0.862 19881 71 1 12 "Average Difference" CB 39 0.679 -0.248 0.640 19881 72 1 12 "Average Difference" HN 46 0.479 -0.001 0.485 19881 73 1 13 "Average Difference" N 46 1.907 -0.249 1.911 19881 74 1 13 "Average Difference" HA 53 0.177 -0.043 0.173 19881 75 1 13 "Average Difference" C 43 0.823 0.414 0.719 19881 76 1 13 "Average Difference" CA 46 0.997 0.297 0.962 19881 77 1 13 "Average Difference" CB 39 0.776 -0.256 0.743 19881 78 1 13 "Average Difference" HN 46 0.470 -0.015 0.475 19881 79 1 14 "Average Difference" N 46 1.993 -0.472 1.958 19881 80 1 14 "Average Difference" HA 53 0.191 -0.048 0.186 19881 81 1 14 "Average Difference" C 43 0.774 0.332 0.708 19881 82 1 14 "Average Difference" CA 46 0.938 0.184 0.930 19881 83 1 14 "Average Difference" CB 39 0.705 -0.295 0.649 19881 84 1 14 "Average Difference" HN 46 0.460 -0.013 0.465 19881 85 1 15 "Average Difference" N 46 2.342 -0.573 2.296 19881 86 1 15 "Average Difference" HA 53 0.199 -0.071 0.187 19881 87 1 15 "Average Difference" C 43 0.721 0.361 0.632 19881 88 1 15 "Average Difference" CA 46 0.913 0.231 0.893 19881 89 1 15 "Average Difference" CB 39 0.831 -0.352 0.763 19881 90 1 15 "Average Difference" HN 46 0.487 -0.026 0.491 19881 91 1 16 "Average Difference" N 46 2.277 -0.359 2.273 19881 92 1 16 "Average Difference" HA 53 0.234 -0.023 0.235 19881 93 1 16 "Average Difference" C 43 0.725 0.355 0.639 19881 94 1 16 "Average Difference" CA 46 1.145 0.147 1.148 19881 95 1 16 "Average Difference" CB 39 0.907 -0.362 0.843 19881 96 1 16 "Average Difference" HN 46 0.466 -0.013 0.471 19881 97 1 17 "Average Difference" N 46 2.499 -0.569 2.461 19881 98 1 17 "Average Difference" HA 53 0.196 0.003 0.198 19881 99 1 17 "Average Difference" C 43 0.850 0.387 0.766 19881 100 1 17 "Average Difference" CA 46 0.955 0.259 0.930 19881 101 1 17 "Average Difference" CB 39 0.648 -0.236 0.611 19881 102 1 17 "Average Difference" HN 46 0.475 -0.046 0.478 19881 103 1 18 "Average Difference" N 46 2.592 -0.482 2.575 19881 104 1 18 "Average Difference" HA 53 0.183 -0.023 0.184 19881 105 1 18 "Average Difference" C 43 0.811 0.313 0.757 19881 106 1 18 "Average Difference" CA 46 0.838 0.185 0.826 19881 107 1 18 "Average Difference" CB 39 0.678 -0.303 0.614 19881 108 1 18 "Average Difference" HN 46 0.418 -0.044 0.421 19881 109 1 19 "Average Difference" N 46 2.037 -0.351 2.029 19881 110 1 19 "Average Difference" HA 53 0.212 -0.019 0.213 19881 111 1 19 "Average Difference" C 43 0.943 0.389 0.869 19881 112 1 19 "Average Difference" CA 46 1.146 0.149 1.149 19881 113 1 19 "Average Difference" CB 39 0.825 -0.335 0.764 19881 114 1 19 "Average Difference" HN 46 0.460 0.007 0.465 19881 115 1 20 "Average Difference" N 46 1.811 0.084 1.829 19881 116 1 20 "Average Difference" HA 53 0.182 -0.018 0.183 19881 117 1 20 "Average Difference" C 43 0.856 0.298 0.812 19881 118 1 20 "Average Difference" CA 46 0.984 0.318 0.942 19881 119 1 20 "Average Difference" CB 39 0.753 -0.190 0.738 19881 120 1 20 "Average Difference" HN 46 0.451 0.095 0.445 19881 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 19881 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLY N N 2 109.485 109.485 108.727 0.758 19881 2 1 . 1 1 2 2 GLY C C 2 174.370 174.370 174.678 -0.308 19881 3 1 . 1 1 2 2 GLY CA C 2 46.411 46.411 45.410 1.001 19881 4 1 . 1 1 2 2 GLY H H 2 8.713 8.713 8.443 0.270 19881 5 1 . 1 1 3 3 GLY N N 3 108.308 108.308 108.010 0.298 19881 6 1 . 1 1 3 3 GLY C C 3 173.840 173.840 174.362 -0.522 19881 7 1 . 1 1 3 3 GLY CA C 3 45.276 45.276 44.734 0.542 19881 8 1 . 1 1 3 3 GLY H H 3 8.326 8.326 8.003 0.323 19881 9 1 . 1 1 4 4 ILE N N 4 120.682 120.682 120.684 -0.002 19881 10 1 . 1 1 4 4 ILE HA H 4 4.330 4.330 4.126 0.204 19881 11 1 . 1 1 4 4 ILE CA C 4 60.610 60.610 62.023 -1.413 19881 12 1 . 1 1 4 4 ILE CB C 4 39.100 39.100 38.235 0.865 19881 13 1 . 1 1 4 4 ILE H H 4 7.605 7.605 7.914 -0.309 19881 14 1 . 1 1 5 5 SER N N 5 121.157 121.157 117.629 3.528 19881 15 1 . 1 1 5 5 SER HA H 5 4.676 4.676 4.595 0.081 19881 16 1 . 1 1 5 5 SER C C 5 175.720 175.720 174.810 0.910 19881 17 1 . 1 1 5 5 SER CA C 5 57.000 57.000 58.183 -1.183 19881 18 1 . 1 1 5 5 SER CB C 5 65.760 65.760 64.364 1.396 19881 19 1 . 1 1 5 5 SER H H 5 8.167 8.167 8.049 0.118 19881 20 1 . 1 1 6 6 ILE N N 6 123.227 123.227 122.421 0.806 19881 21 1 . 1 1 6 6 ILE HA H 6 3.771 3.771 4.119 -0.348 19881 22 1 . 1 1 6 6 ILE C C 6 176.660 176.660 177.251 -0.591 19881 23 1 . 1 1 6 6 ILE CA C 6 63.890 63.890 63.041 0.849 19881 24 1 . 1 1 6 6 ILE CB C 6 37.173 37.173 38.075 -0.902 19881 25 1 . 1 1 6 6 ILE H H 6 9.080 9.080 8.481 0.599 19881 26 1 . 1 1 7 7 TRP N N 7 119.286 119.286 121.077 -1.791 19881 27 1 . 1 1 7 7 TRP HA H 7 4.365 4.365 4.338 0.027 19881 28 1 . 1 1 7 7 TRP C C 7 177.800 177.800 178.024 -0.224 19881 29 1 . 1 1 7 7 TRP CA C 7 59.411 59.411 61.110 -1.699 19881 30 1 . 1 1 7 7 TRP CB C 7 29.263 29.263 28.820 0.443 19881 31 1 . 1 1 7 7 TRP H H 7 7.536 7.536 8.195 -0.660 19881 32 1 . 1 1 8 8 GLN N N 8 117.821 117.821 117.624 0.197 19881 33 1 . 1 1 8 8 GLN HA H 8 3.732 3.732 4.003 -0.271 19881 34 1 . 1 1 8 8 GLN C C 8 177.765 177.765 178.310 -0.545 19881 35 1 . 1 1 8 8 GLN CA C 8 59.367 59.367 59.044 0.323 19881 36 1 . 1 1 8 8 GLN CB C 8 28.094 28.094 27.780 0.314 19881 37 1 . 1 1 8 8 GLN H H 8 7.132 7.132 8.630 -1.498 19881 38 1 . 1 1 9 9 LEU N N 9 118.175 118.175 120.353 -2.178 19881 39 1 . 1 1 9 9 LEU HA H 9 3.916 3.916 4.061 -0.145 19881 40 1 . 1 1 9 9 LEU C C 9 178.096 178.096 178.893 -0.797 19881 41 1 . 1 1 9 9 LEU CA C 9 58.057 58.057 57.797 0.260 19881 42 1 . 1 1 9 9 LEU CB C 9 41.803 41.803 41.357 0.446 19881 43 1 . 1 1 9 9 LEU H H 9 7.680 7.680 7.898 -0.218 19881 44 1 . 1 1 10 10 LEU N N 10 118.370 118.370 120.636 -2.266 19881 45 1 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.852 0.102 19881 46 1 . 1 1 10 10 LEU C C 10 177.930 177.930 179.119 -1.189 19881 47 1 . 1 1 10 10 LEU CA C 10 58.215 58.215 58.276 -0.060 19881 48 1 . 1 1 10 10 LEU CB C 10 41.770 41.770 41.664 0.106 19881 49 1 . 1 1 10 10 LEU H H 10 8.182 8.182 8.066 0.116 19881 50 1 . 1 1 11 11 ILE N N 11 117.907 117.907 119.489 -1.582 19881 51 1 . 1 1 11 11 ILE HA H 11 3.616 3.616 3.615 0.001 19881 52 1 . 1 1 11 11 ILE C C 11 177.370 177.370 177.966 -0.596 19881 53 1 . 1 1 11 11 ILE CA C 11 65.245 65.245 65.675 -0.430 19881 54 1 . 1 1 11 11 ILE CB C 11 37.290 37.290 37.789 -0.499 19881 55 1 . 1 1 11 11 ILE H H 11 7.676 7.676 7.559 0.117 19881 56 1 . 1 1 12 12 ILE N N 12 118.851 118.851 120.374 -1.523 19881 57 1 . 1 1 12 12 ILE HA H 12 3.525 3.525 3.604 -0.078 19881 58 1 . 1 1 12 12 ILE C C 12 176.908 176.908 177.797 -0.889 19881 59 1 . 1 1 12 12 ILE CA C 12 65.463 65.463 65.128 0.334 19881 60 1 . 1 1 12 12 ILE CB C 12 37.450 37.450 37.424 0.026 19881 61 1 . 1 1 12 12 ILE H H 12 7.756 7.756 7.953 -0.197 19881 62 1 . 1 1 13 13 ALA N N 13 121.114 121.114 122.446 -1.332 19881 63 1 . 1 1 13 13 ALA HA H 13 3.822 3.822 4.070 -0.248 19881 64 1 . 1 1 13 13 ALA C C 13 178.605 178.605 179.810 -1.205 19881 65 1 . 1 1 13 13 ALA CA C 13 55.753 55.753 55.405 0.348 19881 66 1 . 1 1 13 13 ALA CB C 13 17.799 17.799 18.116 -0.317 19881 67 1 . 1 1 13 13 ALA H H 13 8.367 8.367 8.766 -0.399 19881 68 1 . 1 1 14 14 VAL N N 14 116.560 116.560 119.598 -3.038 19881 69 1 . 1 1 14 14 VAL HA H 14 3.418 3.418 3.647 -0.229 19881 70 1 . 1 1 14 14 VAL C C 14 177.236 177.236 177.991 -0.755 19881 71 1 . 1 1 14 14 VAL CA C 14 67.304 67.304 66.750 0.553 19881 72 1 . 1 1 14 14 VAL CB C 14 31.360 31.360 31.594 -0.234 19881 73 1 . 1 1 14 14 VAL H H 14 8.164 8.164 7.961 0.203 19881 74 1 . 1 1 15 15 ILE N N 15 119.573 119.573 119.040 0.533 19881 75 1 . 1 1 15 15 ILE HA H 15 3.517 3.517 3.730 -0.213 19881 76 1 . 1 1 15 15 ILE C C 15 177.490 177.490 178.069 -0.579 19881 77 1 . 1 1 15 15 ILE CA C 15 65.828 65.828 65.250 0.578 19881 78 1 . 1 1 15 15 ILE CB C 15 37.364 37.364 37.389 -0.025 19881 79 1 . 1 1 15 15 ILE H H 15 8.045 8.045 7.863 0.182 19881 80 1 . 1 1 16 16 VAL N N 16 118.777 118.777 120.555 -1.778 19881 81 1 . 1 1 16 16 VAL HA H 16 3.597 3.597 3.802 -0.205 19881 82 1 . 1 1 16 16 VAL C C 16 177.993 177.993 178.155 -0.162 19881 83 1 . 1 1 16 16 VAL CA C 16 67.680 67.680 67.025 0.655 19881 84 1 . 1 1 16 16 VAL CB C 16 31.240 31.240 31.597 -0.357 19881 85 1 . 1 1 16 16 VAL H H 16 8.481 8.481 8.199 0.282 19881 86 1 . 1 1 17 17 VAL N N 17 120.072 120.072 119.962 0.110 19881 87 1 . 1 1 17 17 VAL HA H 17 3.602 3.602 3.701 -0.099 19881 88 1 . 1 1 17 17 VAL C C 17 178.199 178.199 178.116 0.083 19881 89 1 . 1 1 17 17 VAL CA C 17 67.426 67.426 66.959 0.467 19881 90 1 . 1 1 17 17 VAL CB C 17 31.187 31.187 31.550 -0.363 19881 91 1 . 1 1 17 17 VAL H H 17 8.329 8.329 7.982 0.347 19881 92 1 . 1 1 18 18 LEU N N 18 120.167 120.167 118.751 1.416 19881 93 1 . 1 1 18 18 LEU HA H 18 4.012 4.012 4.077 -0.065 19881 94 1 . 1 1 18 18 LEU C C 18 178.985 178.985 179.141 -0.156 19881 95 1 . 1 1 18 18 LEU CA C 18 58.130 58.130 58.052 0.078 19881 96 1 . 1 1 18 18 LEU CB C 18 42.045 42.045 41.227 0.818 19881 97 1 . 1 1 18 18 LEU H H 18 8.413 8.413 7.661 0.752 19881 98 1 . 1 1 19 19 LEU N N 19 118.603 118.603 118.187 0.416 19881 99 1 . 1 1 19 19 LEU HA H 19 3.984 3.984 4.042 -0.058 19881 100 1 . 1 1 19 19 LEU C C 19 178.510 178.510 178.723 -0.213 19881 101 1 . 1 1 19 19 LEU CA C 19 57.831 57.831 57.675 0.156 19881 102 1 . 1 1 19 19 LEU CB C 19 42.406 42.406 41.470 0.936 19881 103 1 . 1 1 19 19 LEU H H 19 8.420 8.420 8.053 0.367 19881 104 1 . 1 1 20 20 PHE N N 20 116.154 116.154 118.096 -1.942 19881 105 1 . 1 1 20 20 PHE HA H 20 4.508 4.508 4.303 0.205 19881 106 1 . 1 1 20 20 PHE C C 20 178.062 178.062 176.919 1.143 19881 107 1 . 1 1 20 20 PHE CA C 20 60.202 60.202 60.324 -0.122 19881 108 1 . 1 1 20 20 PHE CB C 20 40.126 40.126 39.743 0.383 19881 109 1 . 1 1 20 20 PHE H H 20 8.451 8.451 8.433 0.018 19881 110 1 . 1 1 21 21 GLY N N 21 108.705 108.705 104.869 3.836 19881 111 1 . 1 1 21 21 GLY C C 21 173.997 173.997 174.408 -0.411 19881 112 1 . 1 1 21 21 GLY CA C 21 46.189 46.189 45.214 0.975 19881 113 1 . 1 1 21 21 GLY H H 21 8.754 8.754 8.047 0.707 19881 114 1 . 1 1 22 22 THR N N 22 111.556 111.556 110.292 1.264 19881 115 1 . 1 1 22 22 THR HA H 22 4.080 4.080 3.921 0.160 19881 116 1 . 1 1 22 22 THR CA C 22 64.722 64.722 63.548 1.174 19881 117 1 . 1 1 22 22 THR CB C 22 69.150 69.150 67.711 1.439 19881 118 1 . 1 1 22 22 THR H H 22 8.190 8.190 7.979 0.211 19881 119 1 . 1 1 23 23 LYS N N 23 121.733 121.733 119.374 2.359 19881 120 1 . 1 1 23 23 LYS HA H 23 4.175 4.175 4.294 -0.119 19881 121 1 . 1 1 23 23 LYS C C 23 178.622 178.622 177.163 1.459 19881 122 1 . 1 1 23 23 LYS CA C 23 58.378 58.378 57.716 0.662 19881 123 1 . 1 1 23 23 LYS CB C 23 31.639 31.639 33.124 -1.485 19881 124 1 . 1 1 23 23 LYS H H 23 8.165 8.165 8.239 -0.074 19881 125 1 . 1 1 24 24 LYS N N 24 118.854 118.854 121.008 -2.154 19881 126 1 . 1 1 24 24 LYS HA H 24 4.246 4.246 4.301 -0.055 19881 127 1 . 1 1 24 24 LYS C C 24 177.705 177.705 178.248 -0.543 19881 128 1 . 1 1 24 24 LYS CA C 24 57.026 57.026 58.401 -1.375 19881 129 1 . 1 1 24 24 LYS CB C 24 32.471 32.471 31.852 0.619 19881 130 1 . 1 1 24 24 LYS H H 24 8.144 8.144 8.058 0.086 19881 131 1 . 1 1 25 25 LEU N N 25 118.583 118.583 119.388 -0.805 19881 132 1 . 1 1 25 25 LEU HA H 25 4.148 4.148 4.019 0.129 19881 133 1 . 1 1 25 25 LEU C C 25 177.815 177.815 178.967 -1.152 19881 134 1 . 1 1 25 25 LEU CA C 25 56.511 56.511 58.206 -1.695 19881 135 1 . 1 1 25 25 LEU CB C 25 41.955 41.955 40.858 1.097 19881 136 1 . 1 1 25 25 LEU H H 25 7.820 7.820 8.073 -0.253 19881 137 1 . 1 1 26 26 GLY N N 26 106.160 106.160 103.494 2.666 19881 138 1 . 1 1 26 26 GLY C C 26 175.013 175.013 175.609 -0.596 19881 139 1 . 1 1 26 26 GLY CA C 26 46.414 46.414 46.630 -0.216 19881 140 1 . 1 1 26 26 GLY H H 26 8.146 8.146 8.202 -0.056 19881 141 1 . 1 1 27 27 SER N N 27 116.361 116.361 116.087 0.274 19881 142 1 . 1 1 27 27 SER HA H 27 4.441 4.441 4.487 -0.046 19881 143 1 . 1 1 27 27 SER C C 27 175.407 175.407 175.990 -0.583 19881 144 1 . 1 1 27 27 SER CA C 27 59.665 59.665 60.489 -0.824 19881 145 1 . 1 1 27 27 SER CB C 27 63.672 63.672 63.988 -0.316 19881 146 1 . 1 1 27 27 SER H H 27 8.046 8.046 7.693 0.353 19881 147 1 . 1 1 28 28 ILE N N 28 121.108 121.108 116.024 5.084 19881 148 1 . 1 1 28 28 ILE HA H 28 4.090 4.090 4.416 -0.326 19881 149 1 . 1 1 28 28 ILE C C 28 176.733 176.733 177.254 -0.521 19881 150 1 . 1 1 28 28 ILE CA C 28 62.883 62.883 63.105 -0.222 19881 151 1 . 1 1 28 28 ILE CB C 28 38.348 38.348 38.195 0.152 19881 152 1 . 1 1 28 28 ILE H H 28 7.847 7.847 8.657 -0.810 19881 153 1 . 1 1 29 29 GLY N N 29 109.304 109.304 108.882 0.422 19881 154 1 . 1 1 29 29 GLY C C 29 174.534 174.534 176.289 -1.755 19881 155 1 . 1 1 29 29 GLY CA C 29 46.278 46.278 47.613 -1.335 19881 156 1 . 1 1 29 29 GLY H H 29 8.329 8.329 8.411 -0.082 19881 157 1 . 1 1 30 30 SER N N 30 115.814 115.814 116.471 -0.657 19881 158 1 . 1 1 30 30 SER HA H 30 4.301 4.301 4.200 0.101 19881 159 1 . 1 1 30 30 SER C C 30 175.445 175.445 176.316 -0.871 19881 160 1 . 1 1 30 30 SER CA C 30 60.378 60.378 61.754 -1.375 19881 161 1 . 1 1 30 30 SER CB C 30 63.575 63.575 62.899 0.676 19881 162 1 . 1 1 30 30 SER H H 30 8.026 8.026 8.082 -0.056 19881 163 1 . 1 1 31 31 ASP N N 31 122.351 122.351 122.794 -0.443 19881 164 1 . 1 1 31 31 ASP HA H 31 4.648 4.648 4.551 0.097 19881 165 1 . 1 1 31 31 ASP C C 31 177.501 177.501 178.504 -1.003 19881 166 1 . 1 1 31 31 ASP CA C 31 55.138 55.138 56.644 -1.506 19881 167 1 . 1 1 31 31 ASP CB C 31 40.847 40.847 40.702 0.145 19881 168 1 . 1 1 31 31 ASP H H 31 8.261 8.261 7.650 0.611 19881 169 1 . 1 1 32 32 LEU N N 32 123.303 123.303 120.832 2.471 19881 170 1 . 1 1 32 32 LEU HA H 32 4.146 4.146 4.120 0.026 19881 171 1 . 1 1 32 32 LEU C C 32 178.653 178.653 179.194 -0.541 19881 172 1 . 1 1 32 32 LEU CA C 32 57.539 57.539 57.910 -0.371 19881 173 1 . 1 1 32 32 LEU CB C 32 42.175 42.175 41.509 0.666 19881 174 1 . 1 1 32 32 LEU H H 32 8.400 8.400 8.251 0.149 19881 175 1 . 1 1 33 33 GLY N N 33 107.221 107.221 106.626 0.595 19881 176 1 . 1 1 33 33 GLY C C 33 175.646 175.646 175.500 0.146 19881 177 1 . 1 1 33 33 GLY CA C 33 47.342 47.342 47.284 0.058 19881 178 1 . 1 1 33 33 GLY H H 33 8.582 8.582 8.770 -0.188 19881 179 1 . 1 1 34 34 ALA N N 34 123.643 123.643 123.709 -0.066 19881 180 1 . 1 1 34 34 ALA HA H 34 4.165 4.165 4.194 -0.029 19881 181 1 . 1 1 34 34 ALA C C 34 180.302 180.302 179.628 0.674 19881 182 1 . 1 1 34 34 ALA CA C 34 54.422 54.422 54.771 -0.349 19881 183 1 . 1 1 34 34 ALA CB C 34 18.645 18.645 18.383 0.262 19881 184 1 . 1 1 34 34 ALA H H 34 8.012 8.012 7.786 0.226 19881 185 1 . 1 1 35 35 SER N N 35 115.942 115.942 115.279 0.663 19881 186 1 . 1 1 35 35 SER HA H 35 4.342 4.342 4.224 0.118 19881 187 1 . 1 1 35 35 SER C C 35 176.430 176.430 176.875 -0.445 19881 188 1 . 1 1 35 35 SER CA C 35 61.552 61.552 61.748 -0.196 19881 189 1 . 1 1 35 35 SER CB C 35 63.404 63.404 63.175 0.228 19881 190 1 . 1 1 35 35 SER H H 35 8.021 8.021 8.210 -0.189 19881 191 1 . 1 1 36 36 ILE N N 36 121.829 121.829 122.382 -0.553 19881 192 1 . 1 1 36 36 ILE HA H 36 3.855 3.855 3.871 -0.016 19881 193 1 . 1 1 36 36 ILE C C 36 177.310 177.310 177.239 0.071 19881 194 1 . 1 1 36 36 ILE CA C 36 64.467 64.467 63.374 1.093 19881 195 1 . 1 1 36 36 ILE CB C 36 37.790 37.790 37.623 0.167 19881 196 1 . 1 1 36 36 ILE H H 36 8.170 8.170 8.392 -0.221 19881 197 1 . 1 1 37 37 LYS N N 37 120.804 120.804 121.224 -0.420 19881 198 1 . 1 1 37 37 LYS HA H 37 3.998 3.998 3.994 0.004 19881 199 1 . 1 1 37 37 LYS C C 37 178.932 178.932 179.240 -0.308 19881 200 1 . 1 1 37 37 LYS CA C 37 59.665 59.665 60.298 -0.633 19881 201 1 . 1 1 37 37 LYS CB C 37 32.400 32.400 31.940 0.460 19881 202 1 . 1 1 37 37 LYS H H 37 8.039 8.039 8.080 -0.041 19881 203 1 . 1 1 38 38 GLY N N 38 107.479 107.479 107.002 0.477 19881 204 1 . 1 1 38 38 GLY C C 38 176.690 176.690 176.105 0.585 19881 205 1 . 1 1 38 38 GLY CA C 38 46.426 46.426 46.897 -0.471 19881 206 1 . 1 1 38 38 GLY H H 38 8.145 8.145 8.211 -0.066 19881 207 1 . 1 1 39 39 PHE N N 39 122.726 122.726 123.189 -0.463 19881 208 1 . 1 1 39 39 PHE HA H 39 4.389 4.389 4.283 0.106 19881 209 1 . 1 1 39 39 PHE C C 39 176.506 176.506 177.116 -0.610 19881 210 1 . 1 1 39 39 PHE CA C 39 60.235 60.235 60.757 -0.522 19881 211 1 . 1 1 39 39 PHE CB C 39 39.354 39.354 39.464 -0.111 19881 212 1 . 1 1 39 39 PHE H H 39 8.078 8.078 8.049 0.029 19881 213 1 . 1 1 40 40 LYS N N 40 119.668 119.668 119.231 0.437 19881 214 1 . 1 1 40 40 LYS HA H 40 3.925 3.925 3.879 0.046 19881 215 1 . 1 1 40 40 LYS C C 40 178.275 178.275 178.786 -0.511 19881 216 1 . 1 1 40 40 LYS CA C 40 58.940 58.940 59.479 -0.539 19881 217 1 . 1 1 40 40 LYS CB C 40 32.523 32.523 32.244 0.279 19881 218 1 . 1 1 40 40 LYS H H 40 8.192 8.192 8.990 -0.798 19881 219 1 . 1 1 41 41 LYS N N 41 120.878 120.878 119.312 1.566 19881 220 1 . 1 1 41 41 LYS HA H 41 4.109 4.109 4.016 0.093 19881 221 1 . 1 1 41 41 LYS C C 41 177.740 177.740 178.280 -0.540 19881 222 1 . 1 1 41 41 LYS CA C 41 58.105 58.105 59.085 -0.980 19881 223 1 . 1 1 41 41 LYS CB C 41 32.516 32.516 32.384 0.132 19881 224 1 . 1 1 41 41 LYS H H 41 7.997 7.997 8.155 -0.158 19881 225 1 . 1 1 42 42 ALA N N 42 122.719 122.719 120.846 1.873 19881 226 1 . 1 1 42 42 ALA HA H 42 4.213 4.213 4.069 0.144 19881 227 1 . 1 1 42 42 ALA C C 42 178.450 178.450 178.952 -0.502 19881 228 1 . 1 1 42 42 ALA CA C 42 53.586 53.586 54.387 -0.801 19881 229 1 . 1 1 42 42 ALA CB C 42 18.919 18.919 18.766 0.153 19881 230 1 . 1 1 42 42 ALA H H 42 7.900 7.900 7.531 0.369 19881 231 1 . 1 1 43 43 MET N N 43 115.999 115.999 115.853 0.146 19881 232 1 . 1 1 43 43 MET HA H 43 4.415 4.415 4.359 0.056 19881 233 1 . 1 1 43 43 MET C C 43 176.270 176.270 177.207 -0.937 19881 234 1 . 1 1 43 43 MET CA C 43 55.488 55.488 55.906 -0.418 19881 235 1 . 1 1 43 43 MET CB C 43 33.279 33.279 33.138 0.141 19881 236 1 . 1 1 43 43 MET H H 43 7.757 7.757 7.515 0.242 19881 237 1 . 1 1 44 44 SER N N 44 115.396 115.396 115.551 -0.155 19881 238 1 . 1 1 44 44 SER HA H 44 4.463 4.463 4.153 0.310 19881 239 1 . 1 1 44 44 SER C C 44 173.950 173.950 174.449 -0.499 19881 240 1 . 1 1 44 44 SER CA C 44 58.536 58.536 60.141 -1.605 19881 241 1 . 1 1 44 44 SER CB C 44 64.380 64.380 63.259 1.121 19881 242 1 . 1 1 44 44 SER H H 44 7.821 7.821 8.100 -0.279 19881 243 1 . 1 1 45 45 ASP N N 45 123.208 123.208 121.079 2.129 19881 244 1 . 1 1 45 45 ASP HA H 45 4.576 4.576 4.556 0.020 19881 245 1 . 1 1 45 45 ASP C C 45 175.990 175.990 175.858 0.132 19881 246 1 . 1 1 45 45 ASP CA C 45 54.264 54.264 54.829 -0.565 19881 247 1 . 1 1 45 45 ASP CB C 45 41.410 41.410 40.902 0.508 19881 248 1 . 1 1 45 45 ASP H H 45 8.293 8.293 8.176 0.117 19881 249 1 . 1 1 46 46 ASP N N 46 121.430 121.430 121.523 -0.093 19881 250 1 . 1 1 46 46 ASP HA H 46 4.542 4.542 4.519 0.023 19881 251 1 . 1 1 46 46 ASP C C 46 176.060 176.060 175.617 0.443 19881 252 1 . 1 1 46 46 ASP CA C 46 54.250 54.250 53.993 0.257 19881 253 1 . 1 1 46 46 ASP CB C 46 41.500 41.500 40.167 1.333 19881 254 1 . 1 1 46 46 ASP H H 46 8.239 8.239 8.380 -0.141 19881 255 1 . 1 1 47 47 GLU N N 47 123.031 123.031 119.183 3.848 19881 256 1 . 1 1 47 47 GLU HA H 47 4.528 4.528 4.268 0.260 19881 257 1 . 1 1 47 47 GLU CA C 47 54.651 54.651 55.665 -1.014 19881 258 1 . 1 1 47 47 GLU CB C 47 29.910 29.910 29.611 0.299 19881 259 1 . 1 1 47 47 GLU H H 47 8.163 8.163 8.079 0.084 19881 stop_ save_