data_17752 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17752 _Entry.PDB_ID 2LFG 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 17752 _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 TYR HA H 99 4.624 4.624 4.709 -0.085 17752 2 1 1 . 1 1 2 2 TYR C C 99 174.994 174.994 175.226 -0.232 17752 3 1 1 . 1 1 2 2 TYR CA C 99 57.524 57.524 57.396 0.128 17752 4 1 1 . 1 1 2 2 TYR CB C 99 38.543 38.543 39.205 -0.662 17752 5 1 1 . 1 1 3 3 ILE N N 100 124.242 124.242 127.207 -2.965 17752 6 1 1 . 1 1 3 3 ILE HA H 100 4.058 4.058 3.984 0.074 17752 7 1 1 . 1 1 3 3 ILE C C 100 174.994 174.994 174.768 0.226 17752 8 1 1 . 1 1 3 3 ILE CA C 100 60.621 60.621 61.825 -1.204 17752 9 1 1 . 1 1 3 3 ILE CB C 100 38.685 38.685 37.739 0.946 17752 10 1 1 . 1 1 3 3 ILE H H 100 8.034 8.034 8.090 -0.056 17752 11 1 1 . 1 1 4 4 VAL N N 101 123.770 123.770 125.320 -1.550 17752 12 1 1 . 1 1 4 4 VAL HA H 101 4.024 4.024 4.309 -0.285 17752 13 1 1 . 1 1 4 4 VAL C C 101 174.457 174.457 174.114 0.343 17752 14 1 1 . 1 1 4 4 VAL CA C 101 62.142 62.142 60.354 1.788 17752 15 1 1 . 1 1 4 4 VAL CB C 101 32.961 32.961 36.151 -3.190 17752 16 1 1 . 1 1 4 4 VAL H H 101 7.858 7.858 7.589 0.269 17752 17 1 1 . 1 1 5 5 GLN N N 102 124.937 124.937 127.934 -2.997 17752 18 1 1 . 1 1 5 5 GLN HA H 102 4.859 4.859 4.609 0.250 17752 19 1 1 . 1 1 5 5 GLN C C 102 173.189 173.189 174.585 -1.396 17752 20 1 1 . 1 1 5 5 GLN CA C 102 52.458 52.458 53.627 -1.169 17752 21 1 1 . 1 1 5 5 GLN CB C 102 30.185 30.185 28.675 1.510 17752 22 1 1 . 1 1 5 5 GLN H H 102 8.269 8.269 8.650 -0.381 17752 23 1 1 . 1 1 6 6 PRO HA H 103 4.533 4.533 4.405 0.128 17752 24 1 1 . 1 1 6 6 PRO C C 103 175.646 175.646 176.082 -0.436 17752 25 1 1 . 1 1 6 6 PRO CA C 103 62.290 62.290 64.330 -2.040 17752 26 1 1 . 1 1 6 6 PRO CB C 103 31.983 31.983 32.276 -0.293 17752 27 1 1 . 1 1 7 7 ASP N N 104 120.340 120.340 117.764 2.576 17752 28 1 1 . 1 1 7 7 ASP HA H 104 4.851 4.851 4.846 0.005 17752 29 1 1 . 1 1 7 7 ASP C C 104 171.565 171.565 173.636 -2.071 17752 30 1 1 . 1 1 7 7 ASP CA C 104 53.742 53.742 51.590 2.152 17752 31 1 1 . 1 1 7 7 ASP CB C 104 40.258 40.258 42.005 -1.747 17752 32 1 1 . 1 1 7 7 ASP H H 104 7.897 7.897 7.952 -0.055 17752 33 1 1 . 1 1 9 9 PRO HA H 106 4.332 4.332 4.476 -0.144 17752 34 1 1 . 1 1 9 9 PRO C C 106 174.091 174.091 176.337 -2.246 17752 35 1 1 . 1 1 9 9 PRO CA C 106 62.569 62.569 63.172 -0.603 17752 36 1 1 . 1 1 9 9 PRO CB C 106 32.391 32.391 32.383 0.008 17752 37 1 1 . 1 1 10 10 LEU N N 107 118.910 118.910 118.750 0.160 17752 38 1 1 . 1 1 10 10 LEU HA H 107 4.642 4.642 4.953 -0.311 17752 39 1 1 . 1 1 10 10 LEU C C 107 175.964 175.964 176.189 -0.225 17752 40 1 1 . 1 1 10 10 LEU CA C 107 53.919 53.919 53.236 0.683 17752 41 1 1 . 1 1 10 10 LEU CB C 107 46.315 46.315 44.685 1.630 17752 42 1 1 . 1 1 10 10 LEU H H 107 7.793 7.793 8.611 -0.818 17752 43 1 1 . 1 1 11 11 GLU N N 108 113.307 113.307 116.200 -2.893 17752 44 1 1 . 1 1 11 11 GLU HA H 108 3.805 3.805 3.982 -0.177 17752 45 1 1 . 1 1 11 11 GLU C C 108 175.118 175.118 175.284 -0.166 17752 46 1 1 . 1 1 11 11 GLU CA C 108 56.418 56.418 57.055 -0.637 17752 47 1 1 . 1 1 11 11 GLU CB C 108 27.789 27.789 27.802 -0.013 17752 48 1 1 . 1 1 11 11 GLU H H 108 8.539 8.539 8.749 -0.210 17752 49 1 1 . 1 1 12 12 LEU N N 109 120.420 120.420 121.087 -0.667 17752 50 1 1 . 1 1 12 12 LEU HA H 109 4.903 4.903 4.402 0.501 17752 51 1 1 . 1 1 12 12 LEU C C 109 176.238 176.238 175.540 0.698 17752 52 1 1 . 1 1 12 12 LEU CA C 109 56.228 56.228 54.836 1.392 17752 53 1 1 . 1 1 12 12 LEU CB C 109 42.021 42.021 41.608 0.413 17752 54 1 1 . 1 1 12 12 LEU H H 109 8.053 8.053 8.125 -0.072 17752 55 1 1 . 1 1 13 13 ALA N N 110 132.286 132.286 131.383 0.903 17752 56 1 1 . 1 1 13 13 ALA HA H 110 4.833 4.833 4.805 0.028 17752 57 1 1 . 1 1 13 13 ALA C C 110 175.560 175.560 175.338 0.222 17752 58 1 1 . 1 1 13 13 ALA CA C 110 51.152 51.152 50.654 0.498 17752 59 1 1 . 1 1 13 13 ALA CB C 110 21.788 21.788 21.388 0.400 17752 60 1 1 . 1 1 13 13 ALA H H 110 9.653 9.653 8.969 0.684 17752 61 1 1 . 1 1 14 14 VAL N N 111 116.305 116.305 123.405 -7.100 17752 62 1 1 . 1 1 14 14 VAL HA H 111 5.293 5.293 4.877 0.416 17752 63 1 1 . 1 1 14 14 VAL C C 111 174.459 174.459 175.137 -0.678 17752 64 1 1 . 1 1 14 14 VAL CA C 111 59.146 59.146 60.978 -1.833 17752 65 1 1 . 1 1 14 14 VAL CB C 111 35.256 35.256 33.883 1.373 17752 66 1 1 . 1 1 14 14 VAL H H 111 8.477 8.477 8.544 -0.067 17752 67 1 1 . 1 1 15 15 GLU N N 112 122.235 122.235 127.788 -5.553 17752 68 1 1 . 1 1 15 15 GLU HA H 112 4.659 4.659 4.751 -0.092 17752 69 1 1 . 1 1 15 15 GLU C C 112 174.581 174.581 174.591 -0.010 17752 70 1 1 . 1 1 15 15 GLU CA C 112 55.224 55.224 54.245 0.979 17752 71 1 1 . 1 1 15 15 GLU CB C 112 34.744 34.744 34.227 0.517 17752 72 1 1 . 1 1 15 15 GLU H H 112 8.947 8.947 9.067 -0.120 17752 73 1 1 . 1 1 16 16 VAL N N 113 124.568 124.568 126.503 -1.935 17752 74 1 1 . 1 1 16 16 VAL HA H 113 4.441 4.441 4.041 0.400 17752 75 1 1 . 1 1 16 16 VAL C C 113 175.480 175.480 175.185 0.295 17752 76 1 1 . 1 1 16 16 VAL CA C 113 62.281 62.281 62.660 -0.379 17752 77 1 1 . 1 1 16 16 VAL CB C 113 31.565 31.565 32.695 -1.130 17752 78 1 1 . 1 1 16 16 VAL H H 113 9.044 9.044 8.671 0.373 17752 79 1 1 . 1 1 17 17 LYS N N 114 128.676 128.676 130.179 -1.503 17752 80 1 1 . 1 1 17 17 LYS HA H 114 4.403 4.403 4.504 -0.101 17752 81 1 1 . 1 1 17 17 LYS C C 114 174.547 174.547 174.615 -0.068 17752 82 1 1 . 1 1 17 17 LYS CA C 114 53.518 53.518 53.815 -0.297 17752 83 1 1 . 1 1 17 17 LYS CB C 114 32.995 32.995 32.416 0.579 17752 84 1 1 . 1 1 17 17 LYS H H 114 8.788 8.788 8.803 -0.015 17752 85 1 1 . 1 1 18 18 GLN N N 115 119.854 119.854 124.029 -4.175 17752 86 1 1 . 1 1 18 18 GLN HA H 115 4.691 4.691 4.600 0.091 17752 87 1 1 . 1 1 18 18 GLN C C 115 172.587 172.587 174.368 -1.781 17752 88 1 1 . 1 1 18 18 GLN CA C 115 52.787 52.787 53.442 -0.655 17752 89 1 1 . 1 1 18 18 GLN CB C 115 30.109 30.109 29.798 0.311 17752 90 1 1 . 1 1 18 18 GLN H H 115 8.537 8.537 8.706 -0.169 17752 91 1 1 . 1 1 19 19 PRO HA H 116 4.526 4.526 4.384 0.142 17752 92 1 1 . 1 1 19 19 PRO C C 116 176.958 176.958 176.341 0.617 17752 93 1 1 . 1 1 19 19 PRO CA C 116 62.106 62.106 63.005 -0.899 17752 94 1 1 . 1 1 19 19 PRO CB C 116 32.375 32.375 32.042 0.333 17752 95 1 1 . 1 1 20 20 GLU N N 117 119.774 119.774 117.795 1.979 17752 96 1 1 . 1 1 20 20 GLU HA H 117 4.079 4.079 3.887 0.192 17752 97 1 1 . 1 1 20 20 GLU C C 117 176.961 176.961 176.040 0.921 17752 98 1 1 . 1 1 20 20 GLU CA C 117 58.256 58.256 56.843 1.413 17752 99 1 1 . 1 1 20 20 GLU CB C 117 29.653 29.653 29.383 0.270 17752 100 1 1 . 1 1 20 20 GLU H H 117 8.806 8.806 7.988 0.818 17752 101 1 1 . 1 1 21 21 ASP N N 118 116.513 116.513 121.241 -4.728 17752 102 1 1 . 1 1 21 21 ASP HA H 118 4.482 4.482 4.272 0.210 17752 103 1 1 . 1 1 21 21 ASP C C 118 175.271 175.271 175.781 -0.510 17752 104 1 1 . 1 1 21 21 ASP CA C 118 54.231 54.231 57.197 -2.966 17752 105 1 1 . 1 1 21 21 ASP CB C 118 40.460 40.460 40.618 -0.159 17752 106 1 1 . 1 1 21 21 ASP H H 118 8.449 8.449 8.772 -0.323 17752 107 1 1 . 1 1 22 22 ARG N N 119 115.342 115.342 120.546 -5.204 17752 108 1 1 . 1 1 22 22 ARG HA H 119 4.491 4.491 4.325 0.166 17752 109 1 1 . 1 1 22 22 ARG C C 119 174.745 174.745 175.779 -1.034 17752 110 1 1 . 1 1 22 22 ARG CA C 119 54.806 54.806 55.509 -0.703 17752 111 1 1 . 1 1 22 22 ARG CB C 119 32.004 32.004 31.014 0.990 17752 112 1 1 . 1 1 22 22 ARG H H 119 7.448 7.448 7.741 -0.293 17752 113 1 1 . 1 1 23 23 LYS N N 120 119.981 119.981 121.574 -1.593 17752 114 1 1 . 1 1 23 23 LYS HA H 120 4.489 4.489 4.291 0.198 17752 115 1 1 . 1 1 23 23 LYS C C 120 173.641 173.641 175.239 -1.598 17752 116 1 1 . 1 1 23 23 LYS CA C 120 54.621 54.621 55.717 -1.096 17752 117 1 1 . 1 1 23 23 LYS CB C 120 31.611 31.611 31.504 0.107 17752 118 1 1 . 1 1 23 23 LYS H H 120 7.982 7.982 8.377 -0.395 17752 119 1 1 . 1 1 24 24 PRO HA H 121 4.813 4.813 4.613 0.200 17752 120 1 1 . 1 1 24 24 PRO C C 121 174.901 174.901 175.184 -0.283 17752 121 1 1 . 1 1 24 24 PRO CA C 121 62.720 62.720 62.140 0.580 17752 122 1 1 . 1 1 24 24 PRO CB C 121 33.066 33.066 33.130 -0.064 17752 123 1 1 . 1 1 25 25 TYR N N 122 111.573 111.573 115.243 -3.670 17752 124 1 1 . 1 1 25 25 TYR HA H 122 5.134 5.134 5.317 -0.183 17752 125 1 1 . 1 1 25 25 TYR C C 122 172.672 172.672 173.154 -0.482 17752 126 1 1 . 1 1 25 25 TYR CA C 122 55.650 55.650 55.814 -0.164 17752 127 1 1 . 1 1 25 25 TYR CB C 122 40.394 40.394 40.856 -0.462 17752 128 1 1 . 1 1 25 25 TYR H H 122 8.287 8.287 8.711 -0.424 17752 129 1 1 . 1 1 26 26 LEU N N 123 120.288 120.288 121.890 -1.602 17752 130 1 1 . 1 1 26 26 LEU HA H 123 4.907 4.907 4.667 0.240 17752 131 1 1 . 1 1 26 26 LEU C C 123 174.277 174.277 175.329 -1.052 17752 132 1 1 . 1 1 26 26 LEU CA C 123 53.789 53.789 54.158 -0.369 17752 133 1 1 . 1 1 26 26 LEU CB C 123 44.717 44.717 44.742 -0.025 17752 134 1 1 . 1 1 26 26 LEU H H 123 9.073 9.073 8.968 0.105 17752 135 1 1 . 1 1 27 27 TRP N N 124 130.187 130.187 131.514 -1.327 17752 136 1 1 . 1 1 27 27 TRP HA H 124 5.555 5.555 5.325 0.230 17752 137 1 1 . 1 1 27 27 TRP C C 124 173.810 173.810 174.517 -0.707 17752 138 1 1 . 1 1 27 27 TRP CA C 124 55.161 55.161 54.428 0.733 17752 139 1 1 . 1 1 27 27 TRP CB C 124 31.383 31.383 30.322 1.061 17752 140 1 1 . 1 1 27 27 TRP H H 124 9.628 9.628 9.349 0.279 17752 141 1 1 . 1 1 28 28 ILE N N 125 128.941 128.941 129.918 -0.977 17752 142 1 1 . 1 1 28 28 ILE HA H 125 4.814 4.814 4.515 0.299 17752 143 1 1 . 1 1 28 28 ILE C C 125 173.004 173.004 174.107 -1.103 17752 144 1 1 . 1 1 28 28 ILE CA C 125 60.152 60.152 60.495 -0.343 17752 145 1 1 . 1 1 28 28 ILE CB C 125 41.018 41.018 38.767 2.251 17752 146 1 1 . 1 1 28 28 ILE H H 125 8.867 8.867 9.193 -0.326 17752 147 1 1 . 1 1 29 29 LYS N N 126 124.705 124.705 127.907 -3.202 17752 148 1 1 . 1 1 29 29 LYS HA H 126 4.553 4.553 4.496 0.057 17752 149 1 1 . 1 1 29 29 LYS C C 126 173.764 173.764 174.496 -0.732 17752 150 1 1 . 1 1 29 29 LYS CA C 126 55.137 55.137 54.149 0.988 17752 151 1 1 . 1 1 29 29 LYS CB C 126 35.952 35.952 35.177 0.775 17752 152 1 1 . 1 1 29 29 LYS H H 126 8.789 8.789 8.976 -0.187 17752 153 1 1 . 1 1 30 30 TRP N N 127 118.127 118.127 125.621 -7.494 17752 154 1 1 . 1 1 30 30 TRP HA H 127 5.010 5.010 5.777 -0.767 17752 155 1 1 . 1 1 30 30 TRP C C 127 173.354 173.354 174.604 -1.250 17752 156 1 1 . 1 1 30 30 TRP CA C 127 57.079 57.079 54.053 3.026 17752 157 1 1 . 1 1 30 30 TRP CB C 127 29.480 29.480 31.414 -1.934 17752 158 1 1 . 1 1 30 30 TRP H H 127 7.408 7.408 7.060 0.348 17752 159 1 1 . 1 1 31 31 SER N N 128 113.791 113.791 117.407 -3.616 17752 160 1 1 . 1 1 31 31 SER HA H 128 5.137 5.137 4.844 0.293 17752 161 1 1 . 1 1 31 31 SER C C 128 171.258 171.258 172.945 -1.687 17752 162 1 1 . 1 1 31 31 SER CA C 128 55.299 55.299 55.920 -0.621 17752 163 1 1 . 1 1 31 31 SER CB C 128 63.849 63.849 63.692 0.157 17752 164 1 1 . 1 1 31 31 SER H H 128 8.972 8.972 9.087 -0.115 17752 165 1 1 . 1 1 32 32 PRO HA H 129 4.953 4.953 4.878 0.075 17752 166 1 1 . 1 1 33 33 PRO HA H 130 4.515 4.515 4.508 0.007 17752 167 1 1 . 1 1 33 33 PRO C C 130 176.322 176.322 177.498 -1.176 17752 168 1 1 . 1 1 33 33 PRO CA C 130 62.668 62.668 63.250 -0.582 17752 169 1 1 . 1 1 33 33 PRO CB C 130 32.077 32.077 31.809 0.268 17752 170 1 1 . 1 1 34 34 THR N N 131 113.844 113.844 118.661 -4.817 17752 171 1 1 . 1 1 34 34 THR HA H 131 4.147 4.147 4.076 0.071 17752 172 1 1 . 1 1 34 34 THR C C 131 174.576 174.576 175.378 -0.802 17752 173 1 1 . 1 1 34 34 THR CA C 131 62.833 62.833 65.325 -2.492 17752 174 1 1 . 1 1 34 34 THR CB C 131 69.346 69.346 68.962 0.384 17752 175 1 1 . 1 1 34 34 THR H H 131 8.128 8.128 8.430 -0.302 17752 176 1 1 . 1 1 35 35 LEU N N 132 125.831 125.831 121.591 4.240 17752 177 1 1 . 1 1 35 35 LEU HA H 132 4.432 4.432 4.449 -0.017 17752 178 1 1 . 1 1 35 35 LEU C C 132 176.794 176.794 175.991 0.803 17752 179 1 1 . 1 1 35 35 LEU CA C 132 54.799 54.799 54.846 -0.047 17752 180 1 1 . 1 1 35 35 LEU CB C 132 42.344 42.344 41.618 0.726 17752 181 1 1 . 1 1 35 35 LEU H H 132 8.336 8.336 7.934 0.402 17752 182 1 1 . 1 1 36 36 ILE N N 133 121.733 121.733 122.165 -0.432 17752 183 1 1 . 1 1 36 36 ILE HA H 133 4.070 4.070 4.136 -0.066 17752 184 1 1 . 1 1 36 36 ILE C C 133 175.690 175.690 175.765 -0.075 17752 185 1 1 . 1 1 36 36 ILE CA C 133 61.695 61.695 61.014 0.681 17752 186 1 1 . 1 1 36 36 ILE CB C 133 38.553 38.553 39.114 -0.561 17752 187 1 1 . 1 1 36 36 ILE H H 133 8.054 8.054 8.591 -0.537 17752 188 1 1 . 1 1 37 37 ASP N N 134 121.852 121.852 120.909 0.943 17752 189 1 1 . 1 1 37 37 ASP HA H 134 4.573 4.573 4.485 0.088 17752 190 1 1 . 1 1 37 37 ASP C C 134 176.011 176.011 175.602 0.409 17752 191 1 1 . 1 1 37 37 ASP CA C 134 54.346 54.346 54.649 -0.303 17752 192 1 1 . 1 1 37 37 ASP CB C 134 41.096 41.096 40.810 0.286 17752 193 1 1 . 1 1 37 37 ASP H H 134 8.254 8.254 8.141 0.113 17752 194 1 1 . 1 1 38 38 LEU N N 135 122.044 122.044 116.906 5.138 17752 195 1 1 . 1 1 38 38 LEU HA H 135 4.225 4.225 4.591 -0.366 17752 196 1 1 . 1 1 38 38 LEU C C 135 177.779 177.779 175.731 2.048 17752 197 1 1 . 1 1 38 38 LEU CA C 135 55.748 55.748 52.874 2.873 17752 198 1 1 . 1 1 38 38 LEU CB C 135 42.220 42.220 44.253 -2.033 17752 199 1 1 . 1 1 38 38 LEU H H 135 8.052 8.052 7.437 0.615 17752 200 1 1 . 1 1 39 39 LYS N N 136 119.589 119.589 122.030 -2.441 17752 201 1 1 . 1 1 39 39 LYS HA H 136 4.225 4.225 4.372 -0.147 17752 202 1 1 . 1 1 39 39 LYS C C 136 177.024 177.024 176.138 0.886 17752 203 1 1 . 1 1 39 39 LYS CA C 136 57.161 57.161 56.808 0.353 17752 204 1 1 . 1 1 39 39 LYS CB C 136 32.220 32.220 32.284 -0.064 17752 205 1 1 . 1 1 39 39 LYS H H 136 8.295 8.295 8.623 -0.328 17752 206 1 1 . 1 1 40 40 THR N N 137 112.003 112.003 116.237 -4.234 17752 207 1 1 . 1 1 40 40 THR HA H 137 4.189 4.189 5.455 -1.266 17752 208 1 1 . 1 1 40 40 THR C C 137 174.914 174.914 175.951 -1.037 17752 209 1 1 . 1 1 40 40 THR CA C 137 62.152 62.152 60.692 1.460 17752 210 1 1 . 1 1 40 40 THR CB C 137 69.513 69.513 71.417 -1.904 17752 211 1 1 . 1 1 40 40 THR H H 137 7.787 7.787 8.015 -0.228 17752 212 1 1 . 1 1 41 41 GLY N N 138 109.975 109.975 110.665 -0.690 17752 213 1 1 . 1 1 41 41 GLY C C 138 173.470 173.470 175.330 -1.860 17752 214 1 1 . 1 1 41 41 GLY CA C 138 45.370 45.370 45.598 -0.228 17752 215 1 1 . 1 1 41 41 GLY H H 138 8.017 8.017 8.257 -0.240 17752 216 1 1 . 1 1 42 42 TRP N N 139 119.581 119.581 120.976 -1.395 17752 217 1 1 . 1 1 42 42 TRP HA H 139 4.634 4.634 4.606 0.028 17752 218 1 1 . 1 1 42 42 TRP C C 139 175.349 175.349 176.292 -0.943 17752 219 1 1 . 1 1 42 42 TRP CA C 139 56.762 56.762 58.389 -1.627 17752 220 1 1 . 1 1 42 42 TRP CB C 139 29.199 29.199 30.258 -1.059 17752 221 1 1 . 1 1 42 42 TRP H H 139 7.787 7.787 7.730 0.057 17752 222 1 1 . 1 1 43 43 PHE N N 140 119.509 119.509 118.024 1.485 17752 223 1 1 . 1 1 43 43 PHE HA H 140 4.675 4.675 4.911 -0.236 17752 224 1 1 . 1 1 43 43 PHE C C 140 174.658 174.658 173.068 1.590 17752 225 1 1 . 1 1 43 43 PHE CA C 140 57.106 57.106 57.234 -0.128 17752 226 1 1 . 1 1 43 43 PHE CB C 140 40.150 40.150 42.296 -2.146 17752 227 1 1 . 1 1 43 43 PHE H H 140 7.871 7.871 7.565 0.306 17752 228 1 1 . 1 1 44 44 THR N N 141 116.290 116.290 120.466 -4.176 17752 229 1 1 . 1 1 44 44 THR HA H 141 4.323 4.323 4.411 -0.088 17752 230 1 1 . 1 1 44 44 THR C C 141 173.009 173.009 172.337 0.672 17752 231 1 1 . 1 1 44 44 THR CA C 141 61.830 61.830 60.663 1.167 17752 232 1 1 . 1 1 44 44 THR CB C 141 70.489 70.489 71.389 -0.901 17752 233 1 1 . 1 1 44 44 THR H H 141 8.380 8.380 7.583 0.797 17752 234 1 1 . 1 1 45 45 LEU N N 142 124.270 124.270 127.943 -3.673 17752 235 1 1 . 1 1 45 45 LEU HA H 142 4.519 4.519 4.222 0.297 17752 236 1 1 . 1 1 45 45 LEU C C 142 174.651 174.651 175.055 -0.404 17752 237 1 1 . 1 1 45 45 LEU CA C 142 53.847 53.847 54.518 -0.671 17752 238 1 1 . 1 1 45 45 LEU CB C 142 44.418 44.418 42.390 2.028 17752 239 1 1 . 1 1 45 45 LEU H H 142 7.972 7.972 8.489 -0.517 17752 240 1 1 . 1 1 46 46 LEU N N 143 120.086 120.086 127.215 -7.129 17752 241 1 1 . 1 1 46 46 LEU HA H 143 4.666 4.666 4.826 -0.160 17752 242 1 1 . 1 1 46 46 LEU C C 143 176.553 176.553 175.402 1.151 17752 243 1 1 . 1 1 46 46 LEU CA C 143 52.236 52.236 53.318 -1.082 17752 244 1 1 . 1 1 46 46 LEU CB C 143 44.725 44.725 44.519 0.206 17752 245 1 1 . 1 1 46 46 LEU H H 143 8.330 8.330 8.155 0.175 17752 246 1 1 . 1 1 47 47 TYR N N 144 115.644 115.644 120.817 -5.173 17752 247 1 1 . 1 1 47 47 TYR HA H 144 5.650 5.650 4.970 0.680 17752 248 1 1 . 1 1 47 47 TYR C C 144 175.013 175.013 174.600 0.413 17752 249 1 1 . 1 1 47 47 TYR CA C 144 57.301 57.301 56.237 1.064 17752 250 1 1 . 1 1 47 47 TYR CB C 144 43.200 43.200 40.718 2.482 17752 251 1 1 . 1 1 47 47 TYR H H 144 8.674 8.674 8.571 0.103 17752 252 1 1 . 1 1 48 48 GLU N N 145 120.669 120.669 122.722 -2.053 17752 253 1 1 . 1 1 48 48 GLU HA H 145 4.835 4.835 4.785 0.050 17752 254 1 1 . 1 1 48 48 GLU C C 145 173.623 173.623 174.658 -1.035 17752 255 1 1 . 1 1 48 48 GLU CA C 145 54.810 54.810 54.434 0.376 17752 256 1 1 . 1 1 48 48 GLU CB C 145 35.923 35.923 34.078 1.845 17752 257 1 1 . 1 1 48 48 GLU H H 145 8.186 8.186 9.139 -0.953 17752 258 1 1 . 1 1 49 49 ILE N N 146 118.773 118.773 125.516 -6.743 17752 259 1 1 . 1 1 49 49 ILE HA H 146 5.069 5.069 5.072 -0.003 17752 260 1 1 . 1 1 49 49 ILE C C 146 174.840 174.840 174.488 0.352 17752 261 1 1 . 1 1 49 49 ILE CA C 146 58.375 58.375 59.783 -1.408 17752 262 1 1 . 1 1 49 49 ILE CB C 146 42.256 42.256 40.195 2.061 17752 263 1 1 . 1 1 49 49 ILE H H 146 8.707 8.707 9.143 -0.436 17752 264 1 1 . 1 1 50 50 ARG N N 147 120.594 120.594 127.105 -6.511 17752 265 1 1 . 1 1 50 50 ARG HA H 147 5.882 5.882 5.286 0.596 17752 266 1 1 . 1 1 50 50 ARG C C 147 172.997 172.997 174.613 -1.616 17752 267 1 1 . 1 1 50 50 ARG CA C 147 53.454 53.454 54.273 -0.819 17752 268 1 1 . 1 1 50 50 ARG CB C 147 34.273 34.273 31.736 2.537 17752 269 1 1 . 1 1 50 50 ARG H H 147 8.922 8.922 8.572 0.350 17752 270 1 1 . 1 1 51 51 LEU N N 148 119.958 119.958 117.462 2.496 17752 271 1 1 . 1 1 51 51 LEU HA H 148 6.200 6.200 6.086 0.114 17752 272 1 1 . 1 1 51 51 LEU C C 148 175.544 175.544 175.281 0.263 17752 273 1 1 . 1 1 51 51 LEU CA C 148 54.601 54.601 53.848 0.753 17752 274 1 1 . 1 1 51 51 LEU CB C 148 46.908 46.908 46.771 0.137 17752 275 1 1 . 1 1 51 51 LEU H H 148 9.242 9.242 9.116 0.126 17752 276 1 1 . 1 1 52 52 LYS N N 149 116.000 116.000 115.722 0.278 17752 277 1 1 . 1 1 52 52 LYS HA H 149 4.945 4.945 4.745 0.200 17752 278 1 1 . 1 1 52 52 LYS C C 149 172.459 172.459 173.245 -0.786 17752 279 1 1 . 1 1 52 52 LYS CA C 149 54.828 54.828 54.283 0.545 17752 280 1 1 . 1 1 52 52 LYS CB C 149 32.809 32.809 34.395 -1.586 17752 281 1 1 . 1 1 52 52 LYS H H 149 8.399 8.399 8.557 -0.158 17752 282 1 1 . 1 1 53 53 PRO HA H 150 4.103 4.103 4.538 -0.435 17752 283 1 1 . 1 1 53 53 PRO C C 150 178.630 178.630 178.403 0.227 17752 284 1 1 . 1 1 53 53 PRO CA C 150 61.651 61.651 61.849 -0.198 17752 285 1 1 . 1 1 53 53 PRO CB C 150 31.521 31.521 32.067 -0.546 17752 286 1 1 . 1 1 54 54 GLU N N 151 125.100 125.100 122.401 2.699 17752 287 1 1 . 1 1 54 54 GLU HA H 151 3.580 3.580 3.846 -0.266 17752 288 1 1 . 1 1 54 54 GLU C C 151 176.912 176.912 176.959 -0.047 17752 289 1 1 . 1 1 54 54 GLU CA C 151 60.163 60.163 58.795 1.368 17752 290 1 1 . 1 1 54 54 GLU CB C 151 30.024 30.024 28.881 1.143 17752 291 1 1 . 1 1 54 54 GLU H H 151 8.865 8.865 8.622 0.243 17752 292 1 1 . 1 1 55 55 LYS N N 152 113.857 113.857 116.570 -2.713 17752 293 1 1 . 1 1 55 55 LYS HA H 152 4.150 4.150 4.271 -0.121 17752 294 1 1 . 1 1 55 55 LYS C C 152 176.530 176.530 176.110 0.420 17752 295 1 1 . 1 1 55 55 LYS CA C 152 56.088 56.088 55.760 0.328 17752 296 1 1 . 1 1 55 55 LYS CB C 152 31.681 31.681 31.915 -0.234 17752 297 1 1 . 1 1 55 55 LYS H H 152 8.356 8.356 8.061 0.295 17752 298 1 1 . 1 1 56 56 ALA N N 153 121.720 121.720 122.548 -0.828 17752 299 1 1 . 1 1 56 56 ALA HA H 153 4.252 4.252 4.357 -0.105 17752 300 1 1 . 1 1 56 56 ALA C C 153 177.098 177.098 177.316 -0.218 17752 301 1 1 . 1 1 56 56 ALA CA C 153 51.651 51.651 51.818 -0.167 17752 302 1 1 . 1 1 56 56 ALA CB C 153 20.289 20.289 19.945 0.344 17752 303 1 1 . 1 1 56 56 ALA H H 153 7.359 7.359 7.747 -0.388 17752 304 1 1 . 1 1 57 57 ALA HA H 154 4.171 4.171 4.175 -0.004 17752 305 1 1 . 1 1 57 57 ALA C C 154 177.719 177.719 176.712 1.007 17752 306 1 1 . 1 1 57 57 ALA CA C 154 53.285 53.285 52.767 0.518 17752 307 1 1 . 1 1 57 57 ALA CB C 154 19.767 19.767 18.973 0.794 17752 308 1 1 . 1 1 58 58 GLU N N 155 115.658 115.658 116.761 -1.103 17752 309 1 1 . 1 1 58 58 GLU HA H 155 4.556 4.556 4.466 0.090 17752 310 1 1 . 1 1 58 58 GLU C C 155 174.857 174.857 174.821 0.036 17752 311 1 1 . 1 1 58 58 GLU CA C 155 54.771 54.771 54.335 0.436 17752 312 1 1 . 1 1 58 58 GLU CB C 155 32.247 32.247 31.723 0.524 17752 313 1 1 . 1 1 58 58 GLU H H 155 7.527 7.527 7.515 0.012 17752 314 1 1 . 1 1 59 59 TRP N N 156 121.007 121.007 121.036 -0.029 17752 315 1 1 . 1 1 59 59 TRP HA H 156 4.334 4.334 4.614 -0.280 17752 316 1 1 . 1 1 59 59 TRP C C 156 176.227 176.227 176.024 0.203 17752 317 1 1 . 1 1 59 59 TRP CA C 156 56.986 56.986 56.831 0.155 17752 318 1 1 . 1 1 59 59 TRP CB C 156 31.064 31.064 30.554 0.510 17752 319 1 1 . 1 1 59 59 TRP H H 156 8.499 8.499 8.388 0.111 17752 320 1 1 . 1 1 60 60 GLU N N 157 123.107 123.107 122.819 0.288 17752 321 1 1 . 1 1 60 60 GLU HA H 157 4.689 4.689 4.746 -0.057 17752 322 1 1 . 1 1 60 60 GLU C C 157 174.904 174.904 175.395 -0.491 17752 323 1 1 . 1 1 60 60 GLU CA C 157 55.797 55.797 55.035 0.762 17752 324 1 1 . 1 1 60 60 GLU CB C 157 31.671 31.671 31.568 0.103 17752 325 1 1 . 1 1 60 60 GLU H H 157 8.930 8.930 8.996 -0.066 17752 326 1 1 . 1 1 61 61 ILE N N 158 124.822 124.822 127.765 -2.943 17752 327 1 1 . 1 1 61 61 ILE HA H 158 4.972 4.972 4.208 0.764 17752 328 1 1 . 1 1 61 61 ILE C C 158 175.938 175.938 176.070 -0.132 17752 329 1 1 . 1 1 61 61 ILE CA C 158 60.029 60.029 61.115 -1.086 17752 330 1 1 . 1 1 61 61 ILE CB C 158 39.652 39.652 38.522 1.130 17752 331 1 1 . 1 1 61 61 ILE H H 158 8.371 8.371 8.782 -0.411 17752 332 1 1 . 1 1 62 62 HIS N N 159 125.647 125.647 126.647 -1.000 17752 333 1 1 . 1 1 62 62 HIS HA H 159 4.750 4.750 4.917 -0.167 17752 334 1 1 . 1 1 62 62 HIS C C 159 173.704 173.704 173.562 0.142 17752 335 1 1 . 1 1 62 62 HIS CA C 159 54.910 54.910 54.673 0.237 17752 336 1 1 . 1 1 62 62 HIS CB C 159 34.940 34.940 33.546 1.394 17752 337 1 1 . 1 1 62 62 HIS H H 159 9.326 9.326 9.305 0.021 17752 338 1 1 . 1 1 63 63 PHE N N 160 124.930 124.930 121.423 3.507 17752 339 1 1 . 1 1 63 63 PHE HA H 160 4.897 4.897 4.663 0.234 17752 340 1 1 . 1 1 63 63 PHE C C 160 174.606 174.606 174.623 -0.017 17752 341 1 1 . 1 1 63 63 PHE CA C 160 58.097 58.097 56.980 1.117 17752 342 1 1 . 1 1 63 63 PHE CB C 160 39.192 39.192 41.285 -2.093 17752 343 1 1 . 1 1 63 63 PHE H H 160 9.207 9.207 8.699 0.508 17752 344 1 1 . 1 1 64 64 ALA N N 161 130.696 130.696 129.920 0.776 17752 345 1 1 . 1 1 64 64 ALA HA H 161 4.645 4.645 4.426 0.219 17752 346 1 1 . 1 1 64 64 ALA C C 161 177.327 177.327 176.875 0.452 17752 347 1 1 . 1 1 64 64 ALA CA C 161 51.333 51.333 52.703 -1.370 17752 348 1 1 . 1 1 64 64 ALA CB C 161 19.696 19.696 20.351 -0.655 17752 349 1 1 . 1 1 64 64 ALA H H 161 8.371 8.371 8.205 0.166 17752 350 1 1 . 1 1 65 65 GLY N N 162 105.725 105.725 107.248 -1.523 17752 351 1 1 . 1 1 65 65 GLY C C 162 173.920 173.920 173.616 0.304 17752 352 1 1 . 1 1 65 65 GLY CA C 162 47.245 47.245 45.118 2.127 17752 353 1 1 . 1 1 65 65 GLY H H 162 6.059 6.059 7.238 -1.179 17752 354 1 1 . 1 1 66 66 GLN N N 163 122.418 122.418 125.215 -2.797 17752 355 1 1 . 1 1 66 66 GLN HA H 163 5.120 5.120 4.549 0.571 17752 356 1 1 . 1 1 66 66 GLN C C 163 176.832 176.832 175.019 1.813 17752 357 1 1 . 1 1 66 66 GLN CA C 163 55.887 55.887 55.063 0.824 17752 358 1 1 . 1 1 66 66 GLN CB C 163 30.063 30.063 27.593 2.470 17752 359 1 1 . 1 1 66 66 GLN H H 163 9.029 9.029 8.596 0.433 17752 360 1 1 . 1 1 67 67 GLN N N 164 119.220 119.220 119.880 -0.660 17752 361 1 1 . 1 1 67 67 GLN HA H 164 4.373 4.373 4.621 -0.248 17752 362 1 1 . 1 1 67 67 GLN C C 164 173.020 173.020 174.304 -1.284 17752 363 1 1 . 1 1 67 67 GLN CA C 164 56.025 56.025 54.975 1.050 17752 364 1 1 . 1 1 67 67 GLN CB C 164 30.868 30.868 31.362 -0.494 17752 365 1 1 . 1 1 67 67 GLN H H 164 7.746 7.746 7.888 -0.142 17752 366 1 1 . 1 1 68 68 THR N N 165 104.368 104.368 110.073 -5.705 17752 367 1 1 . 1 1 68 68 THR HA H 165 3.264 3.264 3.738 -0.474 17752 368 1 1 . 1 1 68 68 THR C C 165 171.726 171.726 172.321 -0.595 17752 369 1 1 . 1 1 68 68 THR CA C 165 58.963 58.963 61.100 -2.137 17752 370 1 1 . 1 1 68 68 THR CB C 165 66.777 66.777 68.373 -1.596 17752 371 1 1 . 1 1 68 68 THR H H 165 7.716 7.716 8.309 -0.593 17752 372 1 1 . 1 1 69 69 GLU N N 166 113.260 113.260 118.653 -5.393 17752 373 1 1 . 1 1 69 69 GLU HA H 166 4.597 4.597 4.749 -0.152 17752 374 1 1 . 1 1 69 69 GLU C C 166 174.977 174.977 174.675 0.302 17752 375 1 1 . 1 1 69 69 GLU CA C 166 53.742 53.742 54.129 -0.387 17752 376 1 1 . 1 1 69 69 GLU CB C 166 33.177 33.177 32.891 0.286 17752 377 1 1 . 1 1 69 69 GLU H H 166 6.562 6.562 7.371 -0.809 17752 378 1 1 . 1 1 70 70 PHE N N 167 122.043 122.043 123.872 -1.829 17752 379 1 1 . 1 1 70 70 PHE HA H 167 4.545 4.545 4.924 -0.379 17752 380 1 1 . 1 1 70 70 PHE C C 167 172.620 172.620 173.724 -1.104 17752 381 1 1 . 1 1 70 70 PHE CA C 167 58.957 58.957 56.573 2.384 17752 382 1 1 . 1 1 70 70 PHE CB C 167 45.667 45.667 43.796 1.871 17752 383 1 1 . 1 1 70 70 PHE H H 167 9.385 9.385 9.154 0.231 17752 384 1 1 . 1 1 71 71 LYS N N 168 122.342 122.342 124.423 -2.081 17752 385 1 1 . 1 1 71 71 LYS HA H 168 5.667 5.667 5.465 0.202 17752 386 1 1 . 1 1 71 71 LYS C C 168 174.656 174.656 175.074 -0.418 17752 387 1 1 . 1 1 71 71 LYS CA C 168 54.701 54.701 53.535 1.166 17752 388 1 1 . 1 1 71 71 LYS CB C 168 35.338 35.338 34.641 0.697 17752 389 1 1 . 1 1 71 71 LYS H H 168 7.129 7.129 7.634 -0.505 17752 390 1 1 . 1 1 72 72 ILE N N 169 122.191 122.191 123.049 -0.858 17752 391 1 1 . 1 1 72 72 ILE HA H 169 4.334 4.334 4.230 0.104 17752 392 1 1 . 1 1 72 72 ILE C C 169 175.258 175.258 175.198 0.060 17752 393 1 1 . 1 1 72 72 ILE CA C 169 59.091 59.091 58.565 0.526 17752 394 1 1 . 1 1 72 72 ILE CB C 169 39.295 39.295 39.712 -0.418 17752 395 1 1 . 1 1 72 72 ILE H H 169 8.978 8.978 8.766 0.212 17752 396 1 1 . 1 1 73 73 LEU N N 170 126.298 126.298 125.607 0.691 17752 397 1 1 . 1 1 73 73 LEU HA H 170 4.647 4.647 4.632 0.015 17752 398 1 1 . 1 1 73 73 LEU C C 170 176.979 176.979 178.076 -1.097 17752 399 1 1 . 1 1 73 73 LEU CA C 170 56.171 56.171 55.689 0.482 17752 400 1 1 . 1 1 73 73 LEU CB C 170 43.187 43.187 42.856 0.331 17752 401 1 1 . 1 1 73 73 LEU H H 170 8.647 8.647 8.697 -0.050 17752 402 1 1 . 1 1 74 74 SER N N 171 112.997 112.997 116.289 -3.292 17752 403 1 1 . 1 1 74 74 SER HA H 171 4.792 4.792 4.518 0.274 17752 404 1 1 . 1 1 74 74 SER C C 171 172.975 172.975 173.287 -0.312 17752 405 1 1 . 1 1 74 74 SER CA C 171 57.259 57.259 58.163 -0.904 17752 406 1 1 . 1 1 74 74 SER CB C 171 62.829 62.829 62.153 0.676 17752 407 1 1 . 1 1 74 74 SER H H 171 7.438 7.438 8.162 -0.724 17752 408 1 1 . 1 1 75 75 LEU N N 172 124.862 124.862 122.993 1.869 17752 409 1 1 . 1 1 75 75 LEU HA H 172 4.454 4.454 4.290 0.164 17752 410 1 1 . 1 1 75 75 LEU C C 172 175.166 175.166 176.082 -0.916 17752 411 1 1 . 1 1 75 75 LEU CA C 172 53.276 53.276 52.836 0.440 17752 412 1 1 . 1 1 75 75 LEU CB C 172 45.925 45.925 43.016 2.909 17752 413 1 1 . 1 1 75 75 LEU H H 172 7.932 7.932 7.547 0.385 17752 414 1 1 . 1 1 76 76 HIS N N 173 120.512 120.512 121.885 -1.373 17752 415 1 1 . 1 1 76 76 HIS HA H 173 5.027 5.027 4.905 0.122 17752 416 1 1 . 1 1 76 76 HIS C C 173 173.227 173.227 172.818 0.409 17752 417 1 1 . 1 1 76 76 HIS CA C 173 53.512 53.512 53.563 -0.051 17752 418 1 1 . 1 1 76 76 HIS CB C 173 30.896 30.896 32.174 -1.278 17752 419 1 1 . 1 1 76 76 HIS H H 173 8.350 8.350 8.603 -0.253 17752 420 1 1 . 1 1 77 77 PRO HA H 174 4.194 4.194 4.308 -0.114 17752 421 1 1 . 1 1 77 77 PRO C C 174 178.280 178.280 177.599 0.681 17752 422 1 1 . 1 1 77 77 PRO CA C 174 63.005 63.005 63.852 -0.847 17752 423 1 1 . 1 1 77 77 PRO CB C 174 32.946 32.946 31.753 1.194 17752 424 1 1 . 1 1 78 78 GLY N N 175 109.449 109.449 113.572 -4.123 17752 425 1 1 . 1 1 78 78 GLY C C 175 173.983 173.983 173.951 0.032 17752 426 1 1 . 1 1 78 78 GLY CA C 175 46.309 46.309 44.999 1.310 17752 427 1 1 . 1 1 78 78 GLY H H 175 7.323 7.323 8.850 -1.527 17752 428 1 1 . 1 1 79 79 GLN N N 176 116.806 116.806 119.520 -2.714 17752 429 1 1 . 1 1 79 79 GLN HA H 176 4.564 4.564 4.573 -0.009 17752 430 1 1 . 1 1 79 79 GLN C C 176 174.210 174.210 174.678 -0.468 17752 431 1 1 . 1 1 79 79 GLN CA C 176 54.321 54.321 53.710 0.611 17752 432 1 1 . 1 1 79 79 GLN CB C 176 30.805 30.805 31.816 -1.011 17752 433 1 1 . 1 1 79 79 GLN H H 176 7.122 7.122 7.658 -0.536 17752 434 1 1 . 1 1 80 80 LYS N N 177 123.628 123.628 124.749 -1.121 17752 435 1 1 . 1 1 80 80 LYS HA H 177 4.989 4.989 4.733 0.256 17752 436 1 1 . 1 1 80 80 LYS C C 177 175.461 175.461 175.342 0.119 17752 437 1 1 . 1 1 80 80 LYS CA C 177 55.580 55.580 56.440 -0.860 17752 438 1 1 . 1 1 80 80 LYS CB C 177 33.369 33.369 33.339 0.030 17752 439 1 1 . 1 1 80 80 LYS H H 177 8.679 8.679 8.701 -0.022 17752 440 1 1 . 1 1 81 81 TYR N N 178 126.820 126.820 125.290 1.530 17752 441 1 1 . 1 1 81 81 TYR HA H 178 5.084 5.084 5.039 0.045 17752 442 1 1 . 1 1 81 81 TYR C C 178 174.883 174.883 174.844 0.039 17752 443 1 1 . 1 1 81 81 TYR CA C 178 57.082 57.082 56.794 0.289 17752 444 1 1 . 1 1 81 81 TYR CB C 178 41.952 41.952 40.969 0.983 17752 445 1 1 . 1 1 81 81 TYR H H 178 9.407 9.407 9.257 0.150 17752 446 1 1 . 1 1 82 82 LEU N N 179 119.285 119.285 125.682 -6.397 17752 447 1 1 . 1 1 82 82 LEU HA H 179 4.993 4.993 4.983 0.010 17752 448 1 1 . 1 1 82 82 LEU C C 179 176.372 176.372 175.929 0.443 17752 449 1 1 . 1 1 82 82 LEU CA C 179 54.686 54.686 54.395 0.291 17752 450 1 1 . 1 1 82 82 LEU CB C 179 45.287 45.287 42.675 2.612 17752 451 1 1 . 1 1 82 82 LEU H H 179 8.457 8.457 9.096 -0.639 17752 452 1 1 . 1 1 83 83 VAL N N 180 119.136 119.136 118.007 1.129 17752 453 1 1 . 1 1 83 83 VAL HA H 180 5.167 5.167 5.329 -0.162 17752 454 1 1 . 1 1 83 83 VAL C C 180 175.007 175.007 174.522 0.485 17752 455 1 1 . 1 1 83 83 VAL CA C 180 60.829 60.829 59.137 1.692 17752 456 1 1 . 1 1 83 83 VAL CB C 180 35.132 35.132 35.251 -0.119 17752 457 1 1 . 1 1 83 83 VAL H H 180 8.442 8.442 9.198 -0.756 17752 458 1 1 . 1 1 84 84 GLN N N 181 121.769 121.769 122.026 -0.257 17752 459 1 1 . 1 1 84 84 GLN HA H 181 4.365 4.365 4.977 -0.612 17752 460 1 1 . 1 1 84 84 GLN C C 181 172.935 172.935 173.669 -0.734 17752 461 1 1 . 1 1 84 84 GLN CA C 181 55.052 55.052 54.428 0.624 17752 462 1 1 . 1 1 84 84 GLN CB C 181 36.079 36.079 33.135 2.944 17752 463 1 1 . 1 1 84 84 GLN H H 181 8.986 8.986 8.647 0.339 17752 464 1 1 . 1 1 85 85 VAL N N 182 116.946 116.946 121.409 -4.463 17752 465 1 1 . 1 1 85 85 VAL HA H 182 5.444 5.444 4.893 0.551 17752 466 1 1 . 1 1 85 85 VAL C C 182 172.842 172.842 174.234 -1.392 17752 467 1 1 . 1 1 85 85 VAL CA C 182 59.501 59.501 59.278 0.223 17752 468 1 1 . 1 1 85 85 VAL CB C 182 35.973 35.973 33.456 2.517 17752 469 1 1 . 1 1 85 85 VAL H H 182 8.425 8.425 8.523 -0.098 17752 470 1 1 . 1 1 86 86 ARG N N 183 122.701 122.701 126.920 -4.219 17752 471 1 1 . 1 1 86 86 ARG HA H 183 4.586 4.586 4.284 0.302 17752 472 1 1 . 1 1 86 86 ARG C C 183 173.613 173.613 173.938 -0.325 17752 473 1 1 . 1 1 86 86 ARG CA C 183 54.760 54.760 53.281 1.479 17752 474 1 1 . 1 1 86 86 ARG CB C 183 33.484 33.484 33.032 0.452 17752 475 1 1 . 1 1 86 86 ARG H H 183 8.853 8.853 8.711 0.142 17752 476 1 1 . 1 1 87 87 CYS N N 184 113.995 113.995 119.249 -5.254 17752 477 1 1 . 1 1 87 87 CYS HA H 184 6.281 6.281 5.569 0.712 17752 478 1 1 . 1 1 87 87 CYS C C 184 172.060 172.060 173.772 -1.712 17752 479 1 1 . 1 1 87 87 CYS CA C 184 54.763 54.763 55.296 -0.533 17752 480 1 1 . 1 1 87 87 CYS CB C 184 34.453 34.453 32.003 2.450 17752 481 1 1 . 1 1 87 87 CYS H H 184 8.869 8.869 8.317 0.552 17752 482 1 1 . 1 1 88 88 LYS N N 185 119.231 119.231 119.631 -0.400 17752 483 1 1 . 1 1 88 88 LYS HA H 185 4.650 4.650 5.241 -0.591 17752 484 1 1 . 1 1 88 88 LYS C C 185 172.274 172.274 174.071 -1.797 17752 485 1 1 . 1 1 88 88 LYS CA C 185 53.192 53.192 53.735 -0.543 17752 486 1 1 . 1 1 88 88 LYS CB C 185 33.530 33.530 32.965 0.565 17752 487 1 1 . 1 1 88 88 LYS H H 185 8.680 8.680 8.021 0.659 17752 488 1 1 . 1 1 89 89 PRO HA H 186 4.874 4.874 4.528 0.346 17752 489 1 1 . 1 1 89 89 PRO C C 186 177.163 177.163 176.861 0.302 17752 490 1 1 . 1 1 89 89 PRO CA C 186 60.867 60.867 61.890 -1.023 17752 491 1 1 . 1 1 89 89 PRO CB C 186 31.041 31.041 32.037 -0.996 17752 492 1 1 . 1 1 90 90 ASP N N 187 121.615 121.615 117.612 4.003 17752 493 1 1 . 1 1 90 90 ASP HA H 187 4.571 4.571 3.707 0.864 17752 494 1 1 . 1 1 90 90 ASP C C 187 176.587 176.587 175.912 0.675 17752 495 1 1 . 1 1 90 90 ASP CA C 187 56.898 56.898 55.983 0.915 17752 496 1 1 . 1 1 90 90 ASP CB C 187 40.161 40.161 39.755 0.406 17752 497 1 1 . 1 1 90 90 ASP H H 187 8.377 8.377 8.338 0.039 17752 498 1 1 . 1 1 91 91 HIS N N 188 115.767 115.767 116.485 -0.718 17752 499 1 1 . 1 1 91 91 HIS HA H 188 4.487 4.487 4.384 0.103 17752 500 1 1 . 1 1 91 91 HIS C C 188 174.877 174.877 174.871 0.006 17752 501 1 1 . 1 1 91 91 HIS CA C 188 56.060 56.060 56.501 -0.441 17752 502 1 1 . 1 1 91 91 HIS CB C 188 29.064 29.064 30.490 -1.426 17752 503 1 1 . 1 1 91 91 HIS H H 188 8.020 8.020 7.661 0.359 17752 504 1 1 . 1 1 92 92 GLY N N 189 108.492 108.492 105.409 3.083 17752 505 1 1 . 1 1 92 92 GLY C C 189 171.977 171.977 172.314 -0.337 17752 506 1 1 . 1 1 92 92 GLY CA C 189 44.356 44.356 44.861 -0.505 17752 507 1 1 . 1 1 92 92 GLY H H 189 7.648 7.648 7.142 0.506 17752 508 1 1 . 1 1 93 93 TYR N N 190 120.823 120.823 121.931 -1.108 17752 509 1 1 . 1 1 93 93 TYR HA H 190 4.589 4.589 4.377 0.212 17752 510 1 1 . 1 1 93 93 TYR C C 190 174.685 174.685 175.677 -0.992 17752 511 1 1 . 1 1 93 93 TYR CA C 190 55.924 55.924 57.165 -1.241 17752 512 1 1 . 1 1 93 93 TYR CB C 190 40.462 40.462 40.162 0.300 17752 513 1 1 . 1 1 93 93 TYR H H 190 8.265 8.265 7.843 0.422 17752 514 1 1 . 1 1 94 94 TRP N N 191 117.501 117.501 119.447 -1.946 17752 515 1 1 . 1 1 94 94 TRP HA H 191 4.399 4.399 4.935 -0.536 17752 516 1 1 . 1 1 94 94 TRP C C 191 178.522 178.522 175.510 3.012 17752 517 1 1 . 1 1 94 94 TRP CA C 191 57.620 57.620 55.824 1.796 17752 518 1 1 . 1 1 94 94 TRP CB C 191 30.530 30.530 30.741 -0.211 17752 519 1 1 . 1 1 94 94 TRP H H 191 7.637 7.637 7.946 -0.309 17752 520 1 1 . 1 1 95 95 SER N N 192 117.327 117.327 118.261 -0.934 17752 521 1 1 . 1 1 95 95 SER HA H 192 4.314 4.314 4.423 -0.109 17752 522 1 1 . 1 1 95 95 SER C C 192 173.924 173.924 173.922 0.002 17752 523 1 1 . 1 1 95 95 SER CA C 192 57.840 57.840 58.071 -0.231 17752 524 1 1 . 1 1 95 95 SER CB C 192 67.312 67.312 64.039 3.273 17752 525 1 1 . 1 1 95 95 SER H H 192 9.755 9.755 8.588 1.167 17752 526 1 1 . 1 1 96 96 ALA N N 193 120.747 120.747 123.758 -3.011 17752 527 1 1 . 1 1 96 96 ALA HA H 193 4.134 4.134 4.829 -0.695 17752 528 1 1 . 1 1 96 96 ALA C C 193 178.311 178.311 174.856 3.455 17752 529 1 1 . 1 1 96 96 ALA CA C 193 52.387 52.387 51.753 0.634 17752 530 1 1 . 1 1 96 96 ALA CB C 193 18.821 18.821 20.413 -1.592 17752 531 1 1 . 1 1 96 96 ALA H H 193 8.824 8.824 7.543 1.281 17752 532 1 1 . 1 1 97 97 TRP N N 194 120.634 120.634 119.306 1.328 17752 533 1 1 . 1 1 97 97 TRP HA H 194 4.314 4.314 5.148 -0.834 17752 534 1 1 . 1 1 97 97 TRP C C 194 177.944 177.944 175.740 2.204 17752 535 1 1 . 1 1 97 97 TRP CA C 194 57.825 57.825 57.122 0.703 17752 536 1 1 . 1 1 97 97 TRP CB C 194 29.702 29.702 31.538 -1.837 17752 537 1 1 . 1 1 97 97 TRP H H 194 8.118 8.118 8.432 -0.314 17752 538 1 1 . 1 1 98 98 SER N N 195 118.649 118.649 113.905 4.744 17752 539 1 1 . 1 1 98 98 SER HA H 195 4.372 4.372 4.677 -0.305 17752 540 1 1 . 1 1 98 98 SER C C 195 170.132 170.132 172.516 -2.384 17752 541 1 1 . 1 1 98 98 SER CA C 195 57.851 57.851 59.226 -1.375 17752 542 1 1 . 1 1 98 98 SER CB C 195 62.213 62.213 62.716 -0.503 17752 543 1 1 . 1 1 98 98 SER H H 195 9.327 9.327 8.572 0.755 17752 544 1 1 . 1 1 99 99 PRO HA H 196 4.585 4.585 4.487 0.098 17752 545 1 1 . 1 1 99 99 PRO C C 196 178.242 178.242 175.045 3.197 17752 546 1 1 . 1 1 99 99 PRO CA C 196 63.403 63.403 62.634 0.769 17752 547 1 1 . 1 1 99 99 PRO CB C 196 31.405 31.405 30.494 0.911 17752 548 1 1 . 1 1 100 100 ALA N N 197 127.219 127.219 127.965 -0.746 17752 549 1 1 . 1 1 100 100 ALA HA H 197 4.680 4.680 4.527 0.153 17752 550 1 1 . 1 1 100 100 ALA C C 197 178.043 178.043 176.926 1.117 17752 551 1 1 . 1 1 100 100 ALA CA C 197 52.309 52.309 51.004 1.305 17752 552 1 1 . 1 1 100 100 ALA CB C 197 18.973 18.973 19.446 -0.473 17752 553 1 1 . 1 1 100 100 ALA H H 197 9.001 9.001 7.913 1.088 17752 554 1 1 . 1 1 101 101 THR N N 198 118.178 118.178 121.050 -2.872 17752 555 1 1 . 1 1 101 101 THR HA H 198 4.598 4.598 4.568 0.030 17752 556 1 1 . 1 1 101 101 THR C C 198 172.242 172.242 173.132 -0.890 17752 557 1 1 . 1 1 101 101 THR CA C 198 61.440 61.440 61.552 -0.112 17752 558 1 1 . 1 1 101 101 THR CB C 198 70.945 70.945 70.253 0.692 17752 559 1 1 . 1 1 101 101 THR H H 198 8.617 8.617 8.700 -0.083 17752 560 1 1 . 1 1 102 102 PHE N N 199 123.141 123.141 125.879 -2.738 17752 561 1 1 . 1 1 102 102 PHE HA H 199 5.867 5.867 5.031 0.836 17752 562 1 1 . 1 1 102 102 PHE C C 199 175.273 175.273 175.626 -0.353 17752 563 1 1 . 1 1 102 102 PHE CA C 199 55.877 55.877 57.592 -1.715 17752 564 1 1 . 1 1 102 102 PHE CB C 199 42.052 42.052 40.092 1.960 17752 565 1 1 . 1 1 102 102 PHE H H 199 8.419 8.419 8.876 -0.457 17752 566 1 1 . 1 1 103 103 ILE N N 200 118.251 118.251 125.225 -6.974 17752 567 1 1 . 1 1 103 103 ILE HA H 200 4.674 4.674 4.598 0.076 17752 568 1 1 . 1 1 103 103 ILE C C 200 171.732 171.732 174.307 -2.575 17752 569 1 1 . 1 1 103 103 ILE CA C 200 58.046 58.046 59.069 -1.023 17752 570 1 1 . 1 1 103 103 ILE CB C 200 41.631 41.631 42.310 -0.679 17752 571 1 1 . 1 1 103 103 ILE H H 200 8.940 8.940 9.200 -0.260 17752 572 1 1 . 1 1 104 104 GLN N N 201 127.961 127.961 127.556 0.405 17752 573 1 1 . 1 1 104 104 GLN HA H 201 4.592 4.592 4.605 -0.013 17752 574 1 1 . 1 1 104 104 GLN C C 201 174.363 174.363 175.411 -1.048 17752 575 1 1 . 1 1 104 104 GLN CA C 201 54.484 54.484 54.352 0.132 17752 576 1 1 . 1 1 104 104 GLN CB C 201 29.320 29.320 29.457 -0.137 17752 577 1 1 . 1 1 104 104 GLN H H 201 8.641 8.641 8.594 0.047 17752 578 1 1 . 1 1 105 105 ILE N N 202 129.177 129.177 126.656 2.521 17752 579 1 1 . 1 1 105 105 ILE HA H 202 4.406 4.406 4.445 -0.039 17752 580 1 1 . 1 1 105 105 ILE C C 202 175.609 175.609 174.698 0.911 17752 581 1 1 . 1 1 105 105 ILE CA C 202 56.023 56.023 56.832 -0.809 17752 582 1 1 . 1 1 105 105 ILE CB C 202 35.689 35.689 37.393 -1.704 17752 583 1 1 . 1 1 105 105 ILE H H 202 8.676 8.676 8.456 0.220 17752 584 1 1 . 1 1 106 106 PRO HA H 203 4.578 4.578 4.625 -0.047 17752 585 1 1 . 1 1 106 106 PRO CB C 203 33.030 33.030 32.951 0.079 17752 586 1 1 . 1 1 107 107 SER N N 204 115.204 115.204 115.473 -0.269 17752 587 1 1 . 1 1 107 107 SER HA H 204 4.108 4.108 4.254 -0.146 17752 588 1 1 . 1 1 107 107 SER C C 204 173.757 173.757 175.547 -1.790 17752 589 1 1 . 1 1 107 107 SER CA C 204 60.355 60.355 60.542 -0.187 17752 590 1 1 . 1 1 107 107 SER CB C 204 63.094 63.094 63.050 0.044 17752 591 1 1 . 1 1 107 107 SER H H 204 7.914 7.914 8.798 -0.884 17752 592 1 1 . 1 1 108 108 ASP N N 205 118.737 118.737 119.965 -1.228 17752 593 1 1 . 1 1 108 108 ASP HA H 205 4.659 4.659 4.590 0.069 17752 594 1 1 . 1 1 108 108 ASP C C 205 175.704 175.704 176.099 -0.395 17752 595 1 1 . 1 1 108 108 ASP CA C 205 53.229 53.229 54.893 -1.664 17752 596 1 1 . 1 1 108 108 ASP CB C 205 40.152 40.152 40.161 -0.009 17752 597 1 1 . 1 1 108 108 ASP H H 205 8.244 8.244 8.351 -0.107 17752 598 1 1 . 1 1 109 109 PHE N N 206 120.285 120.285 118.808 1.477 17752 599 1 1 . 1 1 109 109 PHE HA H 206 4.411 4.411 4.389 0.022 17752 600 1 1 . 1 1 109 109 PHE C C 206 174.781 174.781 174.607 0.174 17752 601 1 1 . 1 1 109 109 PHE CA C 206 58.706 58.706 58.883 -0.177 17752 602 1 1 . 1 1 109 109 PHE CB C 206 40.075 40.075 39.345 0.730 17752 603 1 1 . 1 1 109 109 PHE H H 206 7.595 7.595 7.727 -0.132 17752 604 1 1 . 1 1 110 110 THR N N 207 115.253 115.253 111.262 3.991 17752 605 1 1 . 1 1 110 110 THR HA H 207 4.294 4.294 4.443 -0.149 17752 606 1 1 . 1 1 110 110 THR C C 207 173.714 173.714 174.680 -0.966 17752 607 1 1 . 1 1 110 110 THR CA C 207 61.742 61.742 61.771 -0.029 17752 608 1 1 . 1 1 110 110 THR CB C 207 70.070 70.070 70.019 0.051 17752 609 1 1 . 1 1 110 110 THR H H 207 7.812 7.812 7.394 0.418 17752 610 1 1 . 1 1 111 111 MET N N 208 122.575 122.575 114.097 8.478 17752 611 1 1 . 1 1 111 111 MET HA H 208 4.555 4.555 4.104 0.451 17752 612 1 1 . 1 1 111 111 MET C C 208 175.656 175.656 174.013 1.643 17752 613 1 1 . 1 1 111 111 MET CA C 208 55.451 55.451 55.907 -0.456 17752 614 1 1 . 1 1 111 111 MET CB C 208 33.175 33.175 30.859 2.316 17752 615 1 1 . 1 1 111 111 MET H H 208 8.391 8.391 8.411 -0.020 17752 616 1 1 . 1 1 112 112 ASN N N 209 120.351 120.351 116.233 4.118 17752 617 1 1 . 1 1 112 112 ASN HA H 209 4.785 4.785 4.836 -0.051 17752 618 1 1 . 1 1 112 112 ASN C C 209 173.846 173.846 174.460 -0.614 17752 619 1 1 . 1 1 112 112 ASN CA C 209 53.341 53.341 52.293 1.048 17752 620 1 1 . 1 1 112 112 ASN CB C 209 39.600 39.600 40.335 -0.735 17752 621 1 1 . 1 1 112 112 ASN H H 209 8.442 8.442 7.753 0.689 17752 622 1 2 . 1 1 2 2 TYR HA H 99 4.624 4.624 4.835 -0.211 17752 623 1 2 . 1 1 2 2 TYR C C 99 174.994 174.994 173.901 1.093 17752 624 1 2 . 1 1 2 2 TYR CA C 99 57.524 57.524 57.228 0.296 17752 625 1 2 . 1 1 2 2 TYR CB C 99 38.543 38.543 40.504 -1.961 17752 626 1 2 . 1 1 3 3 ILE N N 100 124.242 124.242 126.242 -2.000 17752 627 1 2 . 1 1 3 3 ILE HA H 100 4.058 4.058 3.861 0.197 17752 628 1 2 . 1 1 3 3 ILE C C 100 174.994 174.994 173.557 1.437 17752 629 1 2 . 1 1 3 3 ILE CA C 100 60.621 60.621 61.633 -1.012 17752 630 1 2 . 1 1 3 3 ILE CB C 100 38.685 38.685 37.043 1.642 17752 631 1 2 . 1 1 3 3 ILE H H 100 8.034 8.034 8.267 -0.233 17752 632 1 2 . 1 1 4 4 VAL N N 101 123.770 123.770 124.777 -1.007 17752 633 1 2 . 1 1 4 4 VAL HA H 101 4.024 4.024 4.055 -0.031 17752 634 1 2 . 1 1 4 4 VAL C C 101 174.457 174.457 174.411 0.046 17752 635 1 2 . 1 1 4 4 VAL CA C 101 62.142 62.142 59.899 2.243 17752 636 1 2 . 1 1 4 4 VAL CB C 101 32.961 32.961 35.055 -2.094 17752 637 1 2 . 1 1 4 4 VAL H H 101 7.858 7.858 7.398 0.460 17752 638 1 2 . 1 1 5 5 GLN N N 102 124.937 124.937 125.719 -0.782 17752 639 1 2 . 1 1 5 5 GLN HA H 102 4.859 4.859 4.583 0.276 17752 640 1 2 . 1 1 5 5 GLN C C 102 173.189 173.189 175.119 -1.930 17752 641 1 2 . 1 1 5 5 GLN CA C 102 52.458 52.458 54.223 -1.765 17752 642 1 2 . 1 1 5 5 GLN CB C 102 30.185 30.185 28.518 1.667 17752 643 1 2 . 1 1 5 5 GLN H H 102 8.269 8.269 8.581 -0.312 17752 644 1 2 . 1 1 6 6 PRO HA H 103 4.533 4.533 4.424 0.109 17752 645 1 2 . 1 1 6 6 PRO C C 103 175.646 175.646 175.988 -0.342 17752 646 1 2 . 1 1 6 6 PRO CA C 103 62.290 62.290 63.933 -1.643 17752 647 1 2 . 1 1 6 6 PRO CB C 103 31.983 31.983 32.277 -0.294 17752 648 1 2 . 1 1 7 7 ASP N N 104 120.340 120.340 118.781 1.559 17752 649 1 2 . 1 1 7 7 ASP HA H 104 4.851 4.851 4.948 -0.097 17752 650 1 2 . 1 1 7 7 ASP C C 104 171.565 171.565 174.350 -2.785 17752 651 1 2 . 1 1 7 7 ASP CA C 104 53.742 53.742 50.575 3.167 17752 652 1 2 . 1 1 7 7 ASP CB C 104 40.258 40.258 42.251 -1.993 17752 653 1 2 . 1 1 7 7 ASP H H 104 7.897 7.897 7.784 0.113 17752 654 1 2 . 1 1 9 9 PRO HA H 106 4.332 4.332 4.612 -0.280 17752 655 1 2 . 1 1 9 9 PRO C C 106 174.091 174.091 176.703 -2.612 17752 656 1 2 . 1 1 9 9 PRO CA C 106 62.569 62.569 63.266 -0.697 17752 657 1 2 . 1 1 9 9 PRO CB C 106 32.391 32.391 32.298 0.093 17752 658 1 2 . 1 1 10 10 LEU N N 107 118.910 118.910 118.418 0.492 17752 659 1 2 . 1 1 10 10 LEU HA H 107 4.642 4.642 4.903 -0.261 17752 660 1 2 . 1 1 10 10 LEU C C 107 175.964 175.964 176.070 -0.106 17752 661 1 2 . 1 1 10 10 LEU CA C 107 53.919 53.919 53.304 0.615 17752 662 1 2 . 1 1 10 10 LEU CB C 107 46.315 46.315 45.061 1.254 17752 663 1 2 . 1 1 10 10 LEU H H 107 7.793 7.793 8.603 -0.810 17752 664 1 2 . 1 1 11 11 GLU N N 108 113.307 113.307 116.342 -3.035 17752 665 1 2 . 1 1 11 11 GLU HA H 108 3.805 3.805 3.965 -0.160 17752 666 1 2 . 1 1 11 11 GLU C C 108 175.118 175.118 175.280 -0.162 17752 667 1 2 . 1 1 11 11 GLU CA C 108 56.418 56.418 56.864 -0.446 17752 668 1 2 . 1 1 11 11 GLU CB C 108 27.789 27.789 27.930 -0.141 17752 669 1 2 . 1 1 11 11 GLU H H 108 8.539 8.539 8.748 -0.209 17752 670 1 2 . 1 1 12 12 LEU N N 109 120.420 120.420 121.448 -1.028 17752 671 1 2 . 1 1 12 12 LEU HA H 109 4.903 4.903 4.616 0.287 17752 672 1 2 . 1 1 12 12 LEU C C 109 176.238 176.238 175.901 0.337 17752 673 1 2 . 1 1 12 12 LEU CA C 109 56.228 56.228 54.893 1.335 17752 674 1 2 . 1 1 12 12 LEU CB C 109 42.021 42.021 41.689 0.332 17752 675 1 2 . 1 1 12 12 LEU H H 109 8.053 8.053 7.997 0.057 17752 676 1 2 . 1 1 13 13 ALA N N 110 132.286 132.286 131.488 0.798 17752 677 1 2 . 1 1 13 13 ALA HA H 110 4.833 4.833 4.797 0.036 17752 678 1 2 . 1 1 13 13 ALA C C 110 175.560 175.560 175.484 0.076 17752 679 1 2 . 1 1 13 13 ALA CA C 110 51.152 51.152 50.801 0.351 17752 680 1 2 . 1 1 13 13 ALA CB C 110 21.788 21.788 20.601 1.187 17752 681 1 2 . 1 1 13 13 ALA H H 110 9.653 9.653 9.071 0.582 17752 682 1 2 . 1 1 14 14 VAL N N 111 116.305 116.305 125.348 -9.043 17752 683 1 2 . 1 1 14 14 VAL HA H 111 5.293 5.293 4.810 0.483 17752 684 1 2 . 1 1 14 14 VAL C C 111 174.459 174.459 175.595 -1.136 17752 685 1 2 . 1 1 14 14 VAL CA C 111 59.146 59.146 61.191 -2.045 17752 686 1 2 . 1 1 14 14 VAL CB C 111 35.256 35.256 33.430 1.826 17752 687 1 2 . 1 1 14 14 VAL H H 111 8.477 8.477 8.600 -0.123 17752 688 1 2 . 1 1 15 15 GLU N N 112 122.235 122.235 126.493 -4.258 17752 689 1 2 . 1 1 15 15 GLU HA H 112 4.659 4.659 4.717 -0.058 17752 690 1 2 . 1 1 15 15 GLU C C 112 174.581 174.581 174.225 0.356 17752 691 1 2 . 1 1 15 15 GLU CA C 112 55.224 55.224 53.964 1.260 17752 692 1 2 . 1 1 15 15 GLU CB C 112 34.744 34.744 33.410 1.334 17752 693 1 2 . 1 1 15 15 GLU H H 112 8.947 8.947 8.814 0.133 17752 694 1 2 . 1 1 16 16 VAL N N 113 124.568 124.568 121.220 3.348 17752 695 1 2 . 1 1 16 16 VAL HA H 113 4.441 4.441 4.420 0.021 17752 696 1 2 . 1 1 16 16 VAL C C 113 175.480 175.480 175.336 0.144 17752 697 1 2 . 1 1 16 16 VAL CA C 113 62.281 62.281 61.440 0.841 17752 698 1 2 . 1 1 16 16 VAL CB C 113 31.565 31.565 32.664 -1.099 17752 699 1 2 . 1 1 16 16 VAL H H 113 9.044 9.044 8.673 0.371 17752 700 1 2 . 1 1 17 17 LYS N N 114 128.676 128.676 127.314 1.362 17752 701 1 2 . 1 1 17 17 LYS HA H 114 4.403 4.403 4.448 -0.045 17752 702 1 2 . 1 1 17 17 LYS C C 114 174.547 174.547 175.053 -0.506 17752 703 1 2 . 1 1 17 17 LYS CA C 114 53.518 53.518 54.218 -0.700 17752 704 1 2 . 1 1 17 17 LYS CB C 114 32.995 32.995 33.602 -0.607 17752 705 1 2 . 1 1 17 17 LYS H H 114 8.788 8.788 8.801 -0.013 17752 706 1 2 . 1 1 18 18 GLN N N 115 119.854 119.854 122.250 -2.396 17752 707 1 2 . 1 1 18 18 GLN HA H 115 4.691 4.691 4.582 0.109 17752 708 1 2 . 1 1 18 18 GLN C C 115 172.587 172.587 173.932 -1.345 17752 709 1 2 . 1 1 18 18 GLN CA C 115 52.787 52.787 53.931 -1.144 17752 710 1 2 . 1 1 18 18 GLN CB C 115 30.109 30.109 29.148 0.961 17752 711 1 2 . 1 1 18 18 GLN H H 115 8.537 8.537 8.784 -0.247 17752 712 1 2 . 1 1 19 19 PRO HA H 116 4.526 4.526 4.381 0.145 17752 713 1 2 . 1 1 19 19 PRO C C 116 176.958 176.958 176.494 0.464 17752 714 1 2 . 1 1 19 19 PRO CA C 116 62.106 62.106 62.252 -0.146 17752 715 1 2 . 1 1 19 19 PRO CB C 116 32.375 32.375 30.123 2.252 17752 716 1 2 . 1 1 20 20 GLU N N 117 119.774 119.774 120.253 -0.479 17752 717 1 2 . 1 1 20 20 GLU HA H 117 4.079 4.079 3.691 0.388 17752 718 1 2 . 1 1 20 20 GLU C C 117 176.961 176.961 177.115 -0.154 17752 719 1 2 . 1 1 20 20 GLU CA C 117 58.256 58.256 59.431 -1.175 17752 720 1 2 . 1 1 20 20 GLU CB C 117 29.653 29.653 28.513 1.140 17752 721 1 2 . 1 1 20 20 GLU H H 117 8.806 8.806 8.259 0.547 17752 722 1 2 . 1 1 21 21 ASP N N 118 116.513 116.513 121.105 -4.592 17752 723 1 2 . 1 1 21 21 ASP HA H 118 4.482 4.482 4.462 0.020 17752 724 1 2 . 1 1 21 21 ASP C C 118 175.271 175.271 177.717 -2.446 17752 725 1 2 . 1 1 21 21 ASP CA C 118 54.231 54.231 55.876 -1.645 17752 726 1 2 . 1 1 21 21 ASP CB C 118 40.460 40.460 40.882 -0.422 17752 727 1 2 . 1 1 21 21 ASP H H 118 8.449 8.449 8.241 0.208 17752 728 1 2 . 1 1 22 22 ARG N N 119 115.342 115.342 118.288 -2.946 17752 729 1 2 . 1 1 22 22 ARG HA H 119 4.491 4.491 4.357 0.134 17752 730 1 2 . 1 1 22 22 ARG C C 119 174.745 174.745 175.348 -0.603 17752 731 1 2 . 1 1 22 22 ARG CA C 119 54.806 54.806 55.297 -0.491 17752 732 1 2 . 1 1 22 22 ARG CB C 119 32.004 32.004 29.805 2.199 17752 733 1 2 . 1 1 22 22 ARG H H 119 7.448 7.448 7.538 -0.090 17752 734 1 2 . 1 1 23 23 LYS N N 120 119.981 119.981 115.779 4.202 17752 735 1 2 . 1 1 23 23 LYS HA H 120 4.489 4.489 3.966 0.523 17752 736 1 2 . 1 1 23 23 LYS C C 120 173.641 173.641 173.969 -0.328 17752 737 1 2 . 1 1 23 23 LYS CA C 120 54.621 54.621 56.294 -1.673 17752 738 1 2 . 1 1 23 23 LYS CB C 120 31.611 31.611 30.650 0.961 17752 739 1 2 . 1 1 23 23 LYS H H 120 7.982 7.982 7.458 0.524 17752 740 1 2 . 1 1 24 24 PRO HA H 121 4.813 4.813 4.631 0.182 17752 741 1 2 . 1 1 24 24 PRO C C 121 174.901 174.901 175.540 -0.639 17752 742 1 2 . 1 1 24 24 PRO CA C 121 62.720 62.720 62.384 0.336 17752 743 1 2 . 1 1 24 24 PRO CB C 121 33.066 33.066 31.978 1.088 17752 744 1 2 . 1 1 25 25 TYR N N 122 111.573 111.573 118.886 -7.313 17752 745 1 2 . 1 1 25 25 TYR HA H 122 5.134 5.134 5.294 -0.160 17752 746 1 2 . 1 1 25 25 TYR C C 122 172.672 172.672 173.096 -0.424 17752 747 1 2 . 1 1 25 25 TYR CA C 122 55.650 55.650 55.759 -0.109 17752 748 1 2 . 1 1 25 25 TYR CB C 122 40.394 40.394 40.873 -0.479 17752 749 1 2 . 1 1 25 25 TYR H H 122 8.287 8.287 8.727 -0.440 17752 750 1 2 . 1 1 26 26 LEU N N 123 120.288 120.288 121.784 -1.496 17752 751 1 2 . 1 1 26 26 LEU HA H 123 4.907 4.907 4.604 0.303 17752 752 1 2 . 1 1 26 26 LEU C C 123 174.277 174.277 175.559 -1.282 17752 753 1 2 . 1 1 26 26 LEU CA C 123 53.789 53.789 54.752 -0.963 17752 754 1 2 . 1 1 26 26 LEU CB C 123 44.717 44.717 44.271 0.446 17752 755 1 2 . 1 1 26 26 LEU H H 123 9.073 9.073 8.812 0.261 17752 756 1 2 . 1 1 27 27 TRP N N 124 130.187 130.187 131.494 -1.307 17752 757 1 2 . 1 1 27 27 TRP HA H 124 5.555 5.555 5.379 0.176 17752 758 1 2 . 1 1 27 27 TRP C C 124 173.810 173.810 174.531 -0.721 17752 759 1 2 . 1 1 27 27 TRP CA C 124 55.161 55.161 54.213 0.948 17752 760 1 2 . 1 1 27 27 TRP CB C 124 31.383 31.383 30.423 0.960 17752 761 1 2 . 1 1 27 27 TRP H H 124 9.628 9.628 9.539 0.089 17752 762 1 2 . 1 1 28 28 ILE N N 125 128.941 128.941 129.848 -0.907 17752 763 1 2 . 1 1 28 28 ILE HA H 125 4.814 4.814 4.207 0.607 17752 764 1 2 . 1 1 28 28 ILE C C 125 173.004 173.004 173.999 -0.995 17752 765 1 2 . 1 1 28 28 ILE CA C 125 60.152 60.152 60.824 -0.672 17752 766 1 2 . 1 1 28 28 ILE CB C 125 41.018 41.018 38.086 2.932 17752 767 1 2 . 1 1 28 28 ILE H H 125 8.867 8.867 9.183 -0.316 17752 768 1 2 . 1 1 29 29 LYS N N 126 124.705 124.705 128.249 -3.544 17752 769 1 2 . 1 1 29 29 LYS HA H 126 4.553 4.553 4.524 0.029 17752 770 1 2 . 1 1 29 29 LYS C C 126 173.764 173.764 174.370 -0.606 17752 771 1 2 . 1 1 29 29 LYS CA C 126 55.137 55.137 54.233 0.904 17752 772 1 2 . 1 1 29 29 LYS CB C 126 35.952 35.952 35.291 0.661 17752 773 1 2 . 1 1 29 29 LYS H H 126 8.789 8.789 8.316 0.473 17752 774 1 2 . 1 1 30 30 TRP N N 127 118.127 118.127 124.958 -6.831 17752 775 1 2 . 1 1 30 30 TRP HA H 127 5.010 5.010 5.684 -0.674 17752 776 1 2 . 1 1 30 30 TRP C C 127 173.354 173.354 175.114 -1.760 17752 777 1 2 . 1 1 30 30 TRP CA C 127 57.079 57.079 53.664 3.415 17752 778 1 2 . 1 1 30 30 TRP CB C 127 29.480 29.480 31.475 -1.995 17752 779 1 2 . 1 1 30 30 TRP H H 127 7.408 7.408 7.547 -0.139 17752 780 1 2 . 1 1 31 31 SER N N 128 113.791 113.791 116.532 -2.741 17752 781 1 2 . 1 1 31 31 SER HA H 128 5.137 5.137 4.840 0.297 17752 782 1 2 . 1 1 31 31 SER C C 128 171.258 171.258 173.051 -1.793 17752 783 1 2 . 1 1 31 31 SER CA C 128 55.299 55.299 54.527 0.772 17752 784 1 2 . 1 1 31 31 SER CB C 128 63.849 63.849 63.988 -0.139 17752 785 1 2 . 1 1 31 31 SER H H 128 8.972 8.972 9.058 -0.086 17752 786 1 2 . 1 1 32 32 PRO HA H 129 4.953 4.953 4.718 0.235 17752 787 1 2 . 1 1 33 33 PRO HA H 130 4.515 4.515 4.367 0.148 17752 788 1 2 . 1 1 33 33 PRO C C 130 176.322 176.322 177.118 -0.796 17752 789 1 2 . 1 1 33 33 PRO CA C 130 62.668 62.668 63.173 -0.505 17752 790 1 2 . 1 1 33 33 PRO CB C 130 32.077 32.077 32.141 -0.064 17752 791 1 2 . 1 1 34 34 THR N N 131 113.844 113.844 114.453 -0.609 17752 792 1 2 . 1 1 34 34 THR HA H 131 4.147 4.147 4.298 -0.151 17752 793 1 2 . 1 1 34 34 THR C C 131 174.576 174.576 175.406 -0.830 17752 794 1 2 . 1 1 34 34 THR CA C 131 62.833 62.833 64.085 -1.252 17752 795 1 2 . 1 1 34 34 THR CB C 131 69.346 69.346 69.397 -0.051 17752 796 1 2 . 1 1 34 34 THR H H 131 8.128 8.128 8.631 -0.503 17752 797 1 2 . 1 1 35 35 LEU N N 132 125.831 125.831 119.337 6.494 17752 798 1 2 . 1 1 35 35 LEU HA H 132 4.432 4.432 4.288 0.144 17752 799 1 2 . 1 1 35 35 LEU C C 132 176.794 176.794 177.827 -1.033 17752 800 1 2 . 1 1 35 35 LEU CA C 132 54.799 54.799 56.043 -1.244 17752 801 1 2 . 1 1 35 35 LEU CB C 132 42.344 42.344 42.859 -0.515 17752 802 1 2 . 1 1 35 35 LEU H H 132 8.336 8.336 8.672 -0.336 17752 803 1 2 . 1 1 36 36 ILE N N 133 121.733 121.733 114.467 7.266 17752 804 1 2 . 1 1 36 36 ILE HA H 133 4.070 4.070 3.555 0.515 17752 805 1 2 . 1 1 36 36 ILE C C 133 175.690 175.690 175.190 0.500 17752 806 1 2 . 1 1 36 36 ILE CA C 133 61.695 61.695 63.999 -2.304 17752 807 1 2 . 1 1 36 36 ILE CB C 133 38.553 38.553 37.194 1.359 17752 808 1 2 . 1 1 36 36 ILE H H 133 8.054 8.054 7.480 0.574 17752 809 1 2 . 1 1 37 37 ASP N N 134 121.852 121.852 119.907 1.945 17752 810 1 2 . 1 1 37 37 ASP HA H 134 4.573 4.573 4.325 0.248 17752 811 1 2 . 1 1 37 37 ASP C C 134 176.011 176.011 175.505 0.506 17752 812 1 2 . 1 1 37 37 ASP CA C 134 54.346 54.346 54.820 -0.474 17752 813 1 2 . 1 1 37 37 ASP CB C 134 41.096 41.096 40.455 0.641 17752 814 1 2 . 1 1 37 37 ASP H H 134 8.254 8.254 8.193 0.061 17752 815 1 2 . 1 1 38 38 LEU N N 135 122.044 122.044 121.614 0.430 17752 816 1 2 . 1 1 38 38 LEU HA H 135 4.225 4.225 4.530 -0.305 17752 817 1 2 . 1 1 38 38 LEU C C 135 177.779 177.779 178.170 -0.391 17752 818 1 2 . 1 1 38 38 LEU CA C 135 55.748 55.748 56.357 -0.609 17752 819 1 2 . 1 1 38 38 LEU CB C 135 42.220 42.220 42.832 -0.612 17752 820 1 2 . 1 1 38 38 LEU H H 135 8.052 8.052 8.196 -0.144 17752 821 1 2 . 1 1 39 39 LYS N N 136 119.589 119.589 118.301 1.288 17752 822 1 2 . 1 1 39 39 LYS HA H 136 4.225 4.225 4.013 0.212 17752 823 1 2 . 1 1 39 39 LYS C C 136 177.024 177.024 176.257 0.767 17752 824 1 2 . 1 1 39 39 LYS CA C 136 57.161 57.161 58.417 -1.256 17752 825 1 2 . 1 1 39 39 LYS CB C 136 32.220 32.220 31.798 0.422 17752 826 1 2 . 1 1 39 39 LYS H H 136 8.295 8.295 8.329 -0.034 17752 827 1 2 . 1 1 40 40 THR N N 137 112.003 112.003 113.517 -1.514 17752 828 1 2 . 1 1 40 40 THR HA H 137 4.189 4.189 4.508 -0.319 17752 829 1 2 . 1 1 40 40 THR C C 137 174.914 174.914 173.792 1.122 17752 830 1 2 . 1 1 40 40 THR CA C 137 62.152 62.152 61.530 0.622 17752 831 1 2 . 1 1 40 40 THR CB C 137 69.513 69.513 70.441 -0.928 17752 832 1 2 . 1 1 40 40 THR H H 137 7.787 7.787 8.323 -0.536 17752 833 1 2 . 1 1 41 41 GLY N N 138 109.975 109.975 109.959 0.016 17752 834 1 2 . 1 1 41 41 GLY C C 138 173.470 173.470 174.118 -0.648 17752 835 1 2 . 1 1 41 41 GLY CA C 138 45.370 45.370 44.301 1.069 17752 836 1 2 . 1 1 41 41 GLY H H 138 8.017 8.017 8.008 0.009 17752 837 1 2 . 1 1 42 42 TRP N N 139 119.581 119.581 119.314 0.267 17752 838 1 2 . 1 1 42 42 TRP HA H 139 4.634 4.634 4.756 -0.122 17752 839 1 2 . 1 1 42 42 TRP C C 139 175.349 175.349 176.238 -0.889 17752 840 1 2 . 1 1 42 42 TRP CA C 139 56.762 56.762 56.933 -0.171 17752 841 1 2 . 1 1 42 42 TRP CB C 139 29.199 29.199 30.333 -1.134 17752 842 1 2 . 1 1 42 42 TRP H H 139 7.787 7.787 8.575 -0.788 17752 843 1 2 . 1 1 43 43 PHE N N 140 119.509 119.509 120.239 -0.730 17752 844 1 2 . 1 1 43 43 PHE HA H 140 4.675 4.675 4.546 0.129 17752 845 1 2 . 1 1 43 43 PHE C C 140 174.658 174.658 175.350 -0.692 17752 846 1 2 . 1 1 43 43 PHE CA C 140 57.106 57.106 58.532 -1.426 17752 847 1 2 . 1 1 43 43 PHE CB C 140 40.150 40.150 39.965 0.185 17752 848 1 2 . 1 1 43 43 PHE H H 140 7.871 7.871 8.084 -0.213 17752 849 1 2 . 1 1 44 44 THR N N 141 116.290 116.290 118.738 -2.448 17752 850 1 2 . 1 1 44 44 THR HA H 141 4.323 4.323 4.209 0.114 17752 851 1 2 . 1 1 44 44 THR C C 141 173.009 173.009 172.561 0.448 17752 852 1 2 . 1 1 44 44 THR CA C 141 61.830 61.830 59.172 2.659 17752 853 1 2 . 1 1 44 44 THR CB C 141 70.489 70.489 71.313 -0.824 17752 854 1 2 . 1 1 44 44 THR H H 141 8.380 8.380 7.830 0.550 17752 855 1 2 . 1 1 45 45 LEU N N 142 124.270 124.270 123.946 0.324 17752 856 1 2 . 1 1 45 45 LEU HA H 142 4.519 4.519 4.110 0.409 17752 857 1 2 . 1 1 45 45 LEU C C 142 174.651 174.651 175.206 -0.555 17752 858 1 2 . 1 1 45 45 LEU CA C 142 53.847 53.847 54.106 -0.259 17752 859 1 2 . 1 1 45 45 LEU CB C 142 44.418 44.418 42.574 1.844 17752 860 1 2 . 1 1 45 45 LEU H H 142 7.972 7.972 8.313 -0.341 17752 861 1 2 . 1 1 46 46 LEU N N 143 120.086 120.086 126.808 -6.722 17752 862 1 2 . 1 1 46 46 LEU HA H 143 4.666 4.666 4.918 -0.252 17752 863 1 2 . 1 1 46 46 LEU C C 143 176.553 176.553 175.807 0.746 17752 864 1 2 . 1 1 46 46 LEU CA C 143 52.236 52.236 52.257 -0.021 17752 865 1 2 . 1 1 46 46 LEU CB C 143 44.725 44.725 43.150 1.575 17752 866 1 2 . 1 1 46 46 LEU H H 143 8.330 8.330 8.105 0.225 17752 867 1 2 . 1 1 47 47 TYR N N 144 115.644 115.644 119.866 -4.222 17752 868 1 2 . 1 1 47 47 TYR HA H 144 5.650 5.650 4.641 1.009 17752 869 1 2 . 1 1 47 47 TYR C C 144 175.013 175.013 174.500 0.513 17752 870 1 2 . 1 1 47 47 TYR CA C 144 57.301 57.301 56.184 1.117 17752 871 1 2 . 1 1 47 47 TYR CB C 144 43.200 43.200 40.565 2.635 17752 872 1 2 . 1 1 47 47 TYR H H 144 8.674 8.674 9.036 -0.362 17752 873 1 2 . 1 1 48 48 GLU N N 145 120.669 120.669 122.371 -1.702 17752 874 1 2 . 1 1 48 48 GLU HA H 145 4.835 4.835 4.461 0.374 17752 875 1 2 . 1 1 48 48 GLU C C 145 173.623 173.623 174.828 -1.205 17752 876 1 2 . 1 1 48 48 GLU CA C 145 54.810 54.810 54.465 0.346 17752 877 1 2 . 1 1 48 48 GLU CB C 145 35.923 35.923 33.464 2.459 17752 878 1 2 . 1 1 48 48 GLU H H 145 8.186 8.186 8.587 -0.401 17752 879 1 2 . 1 1 49 49 ILE N N 146 118.773 118.773 126.167 -7.394 17752 880 1 2 . 1 1 49 49 ILE HA H 146 5.069 5.069 4.973 0.096 17752 881 1 2 . 1 1 49 49 ILE C C 146 174.840 174.840 174.293 0.547 17752 882 1 2 . 1 1 49 49 ILE CA C 146 58.375 58.375 59.896 -1.521 17752 883 1 2 . 1 1 49 49 ILE CB C 146 42.256 42.256 39.835 2.421 17752 884 1 2 . 1 1 49 49 ILE H H 146 8.707 8.707 9.121 -0.414 17752 885 1 2 . 1 1 50 50 ARG N N 147 120.594 120.594 127.997 -7.403 17752 886 1 2 . 1 1 50 50 ARG HA H 147 5.882 5.882 5.206 0.676 17752 887 1 2 . 1 1 50 50 ARG C C 147 172.997 172.997 174.402 -1.405 17752 888 1 2 . 1 1 50 50 ARG CA C 147 53.454 53.454 54.282 -0.828 17752 889 1 2 . 1 1 50 50 ARG CB C 147 34.273 34.273 31.338 2.935 17752 890 1 2 . 1 1 50 50 ARG H H 147 8.922 8.922 8.935 -0.013 17752 891 1 2 . 1 1 51 51 LEU N N 148 119.958 119.958 122.573 -2.615 17752 892 1 2 . 1 1 51 51 LEU HA H 148 6.200 6.200 6.158 0.042 17752 893 1 2 . 1 1 51 51 LEU C C 148 175.544 175.544 175.017 0.527 17752 894 1 2 . 1 1 51 51 LEU CA C 148 54.601 54.601 53.063 1.538 17752 895 1 2 . 1 1 51 51 LEU CB C 148 46.908 46.908 46.582 0.326 17752 896 1 2 . 1 1 51 51 LEU H H 148 9.242 9.242 9.393 -0.151 17752 897 1 2 . 1 1 52 52 LYS N N 149 116.000 116.000 114.970 1.030 17752 898 1 2 . 1 1 52 52 LYS HA H 149 4.945 4.945 4.744 0.201 17752 899 1 2 . 1 1 52 52 LYS C C 149 172.459 172.459 173.422 -0.963 17752 900 1 2 . 1 1 52 52 LYS CA C 149 54.828 54.828 54.460 0.368 17752 901 1 2 . 1 1 52 52 LYS CB C 149 32.809 32.809 34.149 -1.340 17752 902 1 2 . 1 1 52 52 LYS H H 149 8.399 8.399 8.060 0.339 17752 903 1 2 . 1 1 53 53 PRO HA H 150 4.103 4.103 4.087 0.016 17752 904 1 2 . 1 1 53 53 PRO C C 150 178.630 178.630 178.198 0.432 17752 905 1 2 . 1 1 53 53 PRO CA C 150 61.651 61.651 61.764 -0.113 17752 906 1 2 . 1 1 53 53 PRO CB C 150 31.521 31.521 32.164 -0.643 17752 907 1 2 . 1 1 54 54 GLU N N 151 125.100 125.100 119.725 5.375 17752 908 1 2 . 1 1 54 54 GLU HA H 151 3.580 3.580 3.888 -0.308 17752 909 1 2 . 1 1 54 54 GLU C C 151 176.912 176.912 177.622 -0.710 17752 910 1 2 . 1 1 54 54 GLU CA C 151 60.163 60.163 58.972 1.191 17752 911 1 2 . 1 1 54 54 GLU CB C 151 30.024 30.024 28.707 1.317 17752 912 1 2 . 1 1 54 54 GLU H H 151 8.865 8.865 8.281 0.584 17752 913 1 2 . 1 1 55 55 LYS N N 152 113.857 113.857 117.920 -4.063 17752 914 1 2 . 1 1 55 55 LYS HA H 152 4.150 4.150 4.194 -0.044 17752 915 1 2 . 1 1 55 55 LYS C C 152 176.530 176.530 175.576 0.954 17752 916 1 2 . 1 1 55 55 LYS CA C 152 56.088 56.088 55.659 0.429 17752 917 1 2 . 1 1 55 55 LYS CB C 152 31.681 31.681 32.160 -0.479 17752 918 1 2 . 1 1 55 55 LYS H H 152 8.356 8.356 7.911 0.445 17752 919 1 2 . 1 1 56 56 ALA N N 153 121.720 121.720 122.300 -0.580 17752 920 1 2 . 1 1 56 56 ALA HA H 153 4.252 4.252 4.423 -0.171 17752 921 1 2 . 1 1 56 56 ALA C C 153 177.098 177.098 176.712 0.386 17752 922 1 2 . 1 1 56 56 ALA CA C 153 51.651 51.651 51.151 0.500 17752 923 1 2 . 1 1 56 56 ALA CB C 153 20.289 20.289 19.824 0.465 17752 924 1 2 . 1 1 56 56 ALA H H 153 7.359 7.359 7.201 0.158 17752 925 1 2 . 1 1 57 57 ALA HA H 154 4.171 4.171 4.206 -0.035 17752 926 1 2 . 1 1 57 57 ALA C C 154 177.719 177.719 177.006 0.713 17752 927 1 2 . 1 1 57 57 ALA CA C 154 53.285 53.285 52.630 0.655 17752 928 1 2 . 1 1 57 57 ALA CB C 154 19.767 19.767 19.165 0.602 17752 929 1 2 . 1 1 58 58 GLU N N 155 115.658 115.658 117.503 -1.845 17752 930 1 2 . 1 1 58 58 GLU HA H 155 4.556 4.556 4.491 0.065 17752 931 1 2 . 1 1 58 58 GLU C C 155 174.857 174.857 174.682 0.175 17752 932 1 2 . 1 1 58 58 GLU CA C 155 54.771 54.771 54.905 -0.134 17752 933 1 2 . 1 1 58 58 GLU CB C 155 32.247 32.247 30.831 1.416 17752 934 1 2 . 1 1 58 58 GLU H H 155 7.527 7.527 7.788 -0.261 17752 935 1 2 . 1 1 59 59 TRP N N 156 121.007 121.007 121.281 -0.274 17752 936 1 2 . 1 1 59 59 TRP HA H 156 4.334 4.334 4.554 -0.220 17752 937 1 2 . 1 1 59 59 TRP C C 156 176.227 176.227 176.093 0.134 17752 938 1 2 . 1 1 59 59 TRP CA C 156 56.986 56.986 57.203 -0.217 17752 939 1 2 . 1 1 59 59 TRP CB C 156 31.064 31.064 30.396 0.668 17752 940 1 2 . 1 1 59 59 TRP H H 156 8.499 8.499 8.371 0.128 17752 941 1 2 . 1 1 60 60 GLU N N 157 123.107 123.107 122.873 0.234 17752 942 1 2 . 1 1 60 60 GLU HA H 157 4.689 4.689 4.791 -0.102 17752 943 1 2 . 1 1 60 60 GLU C C 157 174.904 174.904 175.150 -0.246 17752 944 1 2 . 1 1 60 60 GLU CA C 157 55.797 55.797 54.736 1.061 17752 945 1 2 . 1 1 60 60 GLU CB C 157 31.671 31.671 31.906 -0.235 17752 946 1 2 . 1 1 60 60 GLU H H 157 8.930 8.930 9.123 -0.193 17752 947 1 2 . 1 1 61 61 ILE N N 158 124.822 124.822 126.858 -2.036 17752 948 1 2 . 1 1 61 61 ILE HA H 158 4.972 4.972 4.697 0.275 17752 949 1 2 . 1 1 61 61 ILE C C 158 175.938 175.938 175.721 0.217 17752 950 1 2 . 1 1 61 61 ILE CA C 158 60.029 60.029 60.265 -0.236 17752 951 1 2 . 1 1 61 61 ILE CB C 158 39.652 39.652 39.440 0.212 17752 952 1 2 . 1 1 61 61 ILE H H 158 8.371 8.371 8.691 -0.320 17752 953 1 2 . 1 1 62 62 HIS N N 159 125.647 125.647 126.370 -0.723 17752 954 1 2 . 1 1 62 62 HIS HA H 159 4.750 4.750 4.964 -0.214 17752 955 1 2 . 1 1 62 62 HIS C C 159 173.704 173.704 173.127 0.577 17752 956 1 2 . 1 1 62 62 HIS CA C 159 54.910 54.910 54.666 0.244 17752 957 1 2 . 1 1 62 62 HIS CB C 159 34.940 34.940 34.113 0.827 17752 958 1 2 . 1 1 62 62 HIS H H 159 9.326 9.326 9.522 -0.196 17752 959 1 2 . 1 1 63 63 PHE N N 160 124.930 124.930 124.268 0.662 17752 960 1 2 . 1 1 63 63 PHE HA H 160 4.897 4.897 4.597 0.300 17752 961 1 2 . 1 1 63 63 PHE C C 160 174.606 174.606 175.148 -0.542 17752 962 1 2 . 1 1 63 63 PHE CA C 160 58.097 58.097 57.613 0.484 17752 963 1 2 . 1 1 63 63 PHE CB C 160 39.192 39.192 40.396 -1.204 17752 964 1 2 . 1 1 63 63 PHE H H 160 9.207 9.207 8.916 0.291 17752 965 1 2 . 1 1 64 64 ALA N N 161 130.696 130.696 129.105 1.591 17752 966 1 2 . 1 1 64 64 ALA HA H 161 4.645 4.645 4.425 0.220 17752 967 1 2 . 1 1 64 64 ALA C C 161 177.327 177.327 177.175 0.152 17752 968 1 2 . 1 1 64 64 ALA CA C 161 51.333 51.333 52.798 -1.465 17752 969 1 2 . 1 1 64 64 ALA CB C 161 19.696 19.696 20.028 -0.332 17752 970 1 2 . 1 1 64 64 ALA H H 161 8.371 8.371 8.209 0.162 17752 971 1 2 . 1 1 65 65 GLY N N 162 105.725 105.725 106.109 -0.384 17752 972 1 2 . 1 1 65 65 GLY C C 162 173.920 173.920 174.187 -0.267 17752 973 1 2 . 1 1 65 65 GLY CA C 162 47.245 47.245 45.297 1.948 17752 974 1 2 . 1 1 65 65 GLY H H 162 6.059 6.059 7.388 -1.329 17752 975 1 2 . 1 1 66 66 GLN N N 163 122.418 122.418 122.290 0.128 17752 976 1 2 . 1 1 66 66 GLN HA H 163 5.120 5.120 4.702 0.418 17752 977 1 2 . 1 1 66 66 GLN C C 163 176.832 176.832 175.186 1.646 17752 978 1 2 . 1 1 66 66 GLN CA C 163 55.887 55.887 55.730 0.157 17752 979 1 2 . 1 1 66 66 GLN CB C 163 30.063 30.063 29.288 0.775 17752 980 1 2 . 1 1 66 66 GLN H H 163 9.029 9.029 8.681 0.348 17752 981 1 2 . 1 1 67 67 GLN N N 164 119.220 119.220 117.149 2.071 17752 982 1 2 . 1 1 67 67 GLN HA H 164 4.373 4.373 4.457 -0.084 17752 983 1 2 . 1 1 67 67 GLN C C 164 173.020 173.020 175.326 -2.306 17752 984 1 2 . 1 1 67 67 GLN CA C 164 56.025 56.025 54.852 1.173 17752 985 1 2 . 1 1 67 67 GLN CB C 164 30.868 30.868 30.389 0.479 17752 986 1 2 . 1 1 67 67 GLN H H 164 7.746 7.746 7.697 0.049 17752 987 1 2 . 1 1 68 68 THR N N 165 104.368 104.368 108.854 -4.486 17752 988 1 2 . 1 1 68 68 THR HA H 165 3.264 3.264 3.619 -0.355 17752 989 1 2 . 1 1 68 68 THR C C 165 171.726 171.726 172.675 -0.949 17752 990 1 2 . 1 1 68 68 THR CA C 165 58.963 58.963 60.506 -1.543 17752 991 1 2 . 1 1 68 68 THR CB C 165 66.777 66.777 67.974 -1.197 17752 992 1 2 . 1 1 68 68 THR H H 165 7.716 7.716 8.045 -0.329 17752 993 1 2 . 1 1 69 69 GLU N N 166 113.260 113.260 117.162 -3.902 17752 994 1 2 . 1 1 69 69 GLU HA H 166 4.597 4.597 4.653 -0.056 17752 995 1 2 . 1 1 69 69 GLU C C 166 174.977 174.977 174.647 0.330 17752 996 1 2 . 1 1 69 69 GLU CA C 166 53.742 53.742 53.835 -0.093 17752 997 1 2 . 1 1 69 69 GLU CB C 166 33.177 33.177 32.941 0.236 17752 998 1 2 . 1 1 69 69 GLU H H 166 6.562 6.562 7.326 -0.764 17752 999 1 2 . 1 1 70 70 PHE N N 167 122.043 122.043 122.584 -0.541 17752 1000 1 2 . 1 1 70 70 PHE HA H 167 4.545 4.545 4.995 -0.450 17752 1001 1 2 . 1 1 70 70 PHE C C 167 172.620 172.620 173.390 -0.770 17752 1002 1 2 . 1 1 70 70 PHE CA C 167 58.957 58.957 56.916 2.041 17752 1003 1 2 . 1 1 70 70 PHE CB C 167 45.667 45.667 43.923 1.744 17752 1004 1 2 . 1 1 70 70 PHE H H 167 9.385 9.385 8.936 0.449 17752 1005 1 2 . 1 1 71 71 LYS N N 168 122.342 122.342 124.651 -2.309 17752 1006 1 2 . 1 1 71 71 LYS HA H 168 5.667 5.667 5.612 0.054 17752 1007 1 2 . 1 1 71 71 LYS C C 168 174.656 174.656 175.321 -0.665 17752 1008 1 2 . 1 1 71 71 LYS CA C 168 54.701 54.701 54.072 0.629 17752 1009 1 2 . 1 1 71 71 LYS CB C 168 35.338 35.338 34.676 0.662 17752 1010 1 2 . 1 1 71 71 LYS H H 168 7.129 7.129 7.623 -0.494 17752 1011 1 2 . 1 1 72 72 ILE N N 169 122.191 122.191 122.376 -0.185 17752 1012 1 2 . 1 1 72 72 ILE HA H 169 4.334 4.334 4.206 0.128 17752 1013 1 2 . 1 1 72 72 ILE C C 169 175.258 175.258 174.769 0.489 17752 1014 1 2 . 1 1 72 72 ILE CA C 169 59.091 59.091 58.995 0.096 17752 1015 1 2 . 1 1 72 72 ILE CB C 169 39.295 39.295 40.078 -0.783 17752 1016 1 2 . 1 1 72 72 ILE H H 169 8.978 8.978 8.810 0.168 17752 1017 1 2 . 1 1 73 73 LEU N N 170 126.298 126.298 126.712 -0.414 17752 1018 1 2 . 1 1 73 73 LEU HA H 170 4.647 4.647 4.749 -0.102 17752 1019 1 2 . 1 1 73 73 LEU C C 170 176.979 176.979 177.723 -0.744 17752 1020 1 2 . 1 1 73 73 LEU CA C 170 56.171 56.171 55.565 0.606 17752 1021 1 2 . 1 1 73 73 LEU CB C 170 43.187 43.187 42.623 0.564 17752 1022 1 2 . 1 1 73 73 LEU H H 170 8.647 8.647 8.709 -0.062 17752 1023 1 2 . 1 1 74 74 SER N N 171 112.997 112.997 116.812 -3.815 17752 1024 1 2 . 1 1 74 74 SER HA H 171 4.792 4.792 4.484 0.308 17752 1025 1 2 . 1 1 74 74 SER C C 171 172.975 172.975 173.313 -0.338 17752 1026 1 2 . 1 1 74 74 SER CA C 171 57.259 57.259 59.146 -1.887 17752 1027 1 2 . 1 1 74 74 SER CB C 171 62.829 62.829 61.411 1.418 17752 1028 1 2 . 1 1 74 74 SER H H 171 7.438 7.438 8.150 -0.712 17752 1029 1 2 . 1 1 75 75 LEU N N 172 124.862 124.862 122.308 2.554 17752 1030 1 2 . 1 1 75 75 LEU HA H 172 4.454 4.454 4.549 -0.095 17752 1031 1 2 . 1 1 75 75 LEU C C 172 175.166 175.166 175.483 -0.317 17752 1032 1 2 . 1 1 75 75 LEU CA C 172 53.276 53.276 53.280 -0.004 17752 1033 1 2 . 1 1 75 75 LEU CB C 172 45.925 45.925 45.041 0.884 17752 1034 1 2 . 1 1 75 75 LEU H H 172 7.932 7.932 7.715 0.217 17752 1035 1 2 . 1 1 76 76 HIS N N 173 120.512 120.512 117.896 2.616 17752 1036 1 2 . 1 1 76 76 HIS HA H 173 5.027 5.027 5.034 -0.007 17752 1037 1 2 . 1 1 76 76 HIS C C 173 173.227 173.227 172.778 0.449 17752 1038 1 2 . 1 1 76 76 HIS CA C 173 53.512 53.512 53.241 0.271 17752 1039 1 2 . 1 1 76 76 HIS CB C 173 30.896 30.896 32.612 -1.716 17752 1040 1 2 . 1 1 76 76 HIS H H 173 8.350 8.350 7.948 0.402 17752 1041 1 2 . 1 1 77 77 PRO HA H 174 4.194 4.194 4.373 -0.179 17752 1042 1 2 . 1 1 77 77 PRO C C 174 178.280 178.280 177.873 0.407 17752 1043 1 2 . 1 1 77 77 PRO CA C 174 63.005 63.005 63.621 -0.616 17752 1044 1 2 . 1 1 77 77 PRO CB C 174 32.946 32.946 31.831 1.115 17752 1045 1 2 . 1 1 78 78 GLY N N 175 109.449 109.449 113.081 -3.632 17752 1046 1 2 . 1 1 78 78 GLY C C 175 173.983 173.983 173.666 0.317 17752 1047 1 2 . 1 1 78 78 GLY CA C 175 46.309 46.309 45.127 1.182 17752 1048 1 2 . 1 1 78 78 GLY H H 175 7.323 7.323 8.768 -1.445 17752 1049 1 2 . 1 1 79 79 GLN N N 176 116.806 116.806 117.813 -1.007 17752 1050 1 2 . 1 1 79 79 GLN HA H 176 4.564 4.564 4.740 -0.176 17752 1051 1 2 . 1 1 79 79 GLN C C 176 174.210 174.210 174.461 -0.251 17752 1052 1 2 . 1 1 79 79 GLN CA C 176 54.321 54.321 53.891 0.430 17752 1053 1 2 . 1 1 79 79 GLN CB C 176 30.805 30.805 32.547 -1.742 17752 1054 1 2 . 1 1 79 79 GLN H H 176 7.122 7.122 7.649 -0.527 17752 1055 1 2 . 1 1 80 80 LYS N N 177 123.628 123.628 124.918 -1.290 17752 1056 1 2 . 1 1 80 80 LYS HA H 177 4.989 4.989 4.894 0.095 17752 1057 1 2 . 1 1 80 80 LYS C C 177 175.461 175.461 175.361 0.100 17752 1058 1 2 . 1 1 80 80 LYS CA C 177 55.580 55.580 55.751 -0.171 17752 1059 1 2 . 1 1 80 80 LYS CB C 177 33.369 33.369 33.769 -0.400 17752 1060 1 2 . 1 1 80 80 LYS H H 177 8.679 8.679 9.209 -0.530 17752 1061 1 2 . 1 1 81 81 TYR N N 178 126.820 126.820 125.319 1.501 17752 1062 1 2 . 1 1 81 81 TYR HA H 178 5.084 5.084 4.878 0.206 17752 1063 1 2 . 1 1 81 81 TYR C C 178 174.883 174.883 175.256 -0.373 17752 1064 1 2 . 1 1 81 81 TYR CA C 178 57.082 57.082 57.009 0.073 17752 1065 1 2 . 1 1 81 81 TYR CB C 178 41.952 41.952 40.648 1.304 17752 1066 1 2 . 1 1 81 81 TYR H H 178 9.407 9.407 9.469 -0.062 17752 1067 1 2 . 1 1 82 82 LEU N N 179 119.285 119.285 126.121 -6.836 17752 1068 1 2 . 1 1 82 82 LEU HA H 179 4.993 4.993 4.822 0.171 17752 1069 1 2 . 1 1 82 82 LEU C C 179 176.372 176.372 176.104 0.268 17752 1070 1 2 . 1 1 82 82 LEU CA C 179 54.686 54.686 54.451 0.235 17752 1071 1 2 . 1 1 82 82 LEU CB C 179 45.287 45.287 42.151 3.136 17752 1072 1 2 . 1 1 82 82 LEU H H 179 8.457 8.457 8.926 -0.469 17752 1073 1 2 . 1 1 83 83 VAL N N 180 119.136 119.136 120.198 -1.062 17752 1074 1 2 . 1 1 83 83 VAL HA H 180 5.167 5.167 5.004 0.163 17752 1075 1 2 . 1 1 83 83 VAL C C 180 175.007 175.007 174.781 0.226 17752 1076 1 2 . 1 1 83 83 VAL CA C 180 60.829 60.829 59.540 1.289 17752 1077 1 2 . 1 1 83 83 VAL CB C 180 35.132 35.132 34.371 0.761 17752 1078 1 2 . 1 1 83 83 VAL H H 180 8.442 8.442 9.172 -0.730 17752 1079 1 2 . 1 1 84 84 GLN N N 181 121.769 121.769 123.994 -2.225 17752 1080 1 2 . 1 1 84 84 GLN HA H 181 4.365 4.365 5.179 -0.814 17752 1081 1 2 . 1 1 84 84 GLN C C 181 172.935 172.935 173.967 -1.032 17752 1082 1 2 . 1 1 84 84 GLN CA C 181 55.052 55.052 54.326 0.726 17752 1083 1 2 . 1 1 84 84 GLN CB C 181 36.079 36.079 33.130 2.949 17752 1084 1 2 . 1 1 84 84 GLN H H 181 8.986 8.986 8.662 0.324 17752 1085 1 2 . 1 1 85 85 VAL N N 182 116.946 116.946 122.857 -5.911 17752 1086 1 2 . 1 1 85 85 VAL HA H 182 5.444 5.444 5.214 0.230 17752 1087 1 2 . 1 1 85 85 VAL C C 182 172.842 172.842 173.938 -1.096 17752 1088 1 2 . 1 1 85 85 VAL CA C 182 59.501 59.501 58.951 0.550 17752 1089 1 2 . 1 1 85 85 VAL CB C 182 35.973 35.973 34.514 1.460 17752 1090 1 2 . 1 1 85 85 VAL H H 182 8.425 8.425 8.646 -0.221 17752 1091 1 2 . 1 1 86 86 ARG N N 183 122.701 122.701 127.051 -4.350 17752 1092 1 2 . 1 1 86 86 ARG HA H 183 4.586 4.586 4.549 0.037 17752 1093 1 2 . 1 1 86 86 ARG C C 183 173.613 173.613 173.897 -0.284 17752 1094 1 2 . 1 1 86 86 ARG CA C 183 54.760 54.760 54.749 0.011 17752 1095 1 2 . 1 1 86 86 ARG CB C 183 33.484 33.484 33.944 -0.460 17752 1096 1 2 . 1 1 86 86 ARG H H 183 8.853 8.853 8.469 0.384 17752 1097 1 2 . 1 1 87 87 CYS N N 184 113.995 113.995 121.247 -7.252 17752 1098 1 2 . 1 1 87 87 CYS HA H 184 6.281 6.281 5.241 1.040 17752 1099 1 2 . 1 1 87 87 CYS C C 184 172.060 172.060 174.009 -1.949 17752 1100 1 2 . 1 1 87 87 CYS CA C 184 54.763 54.763 55.979 -1.216 17752 1101 1 2 . 1 1 87 87 CYS CB C 184 34.453 34.453 31.237 3.216 17752 1102 1 2 . 1 1 87 87 CYS H H 184 8.869 8.869 8.445 0.424 17752 1103 1 2 . 1 1 88 88 LYS N N 185 119.231 119.231 118.296 0.935 17752 1104 1 2 . 1 1 88 88 LYS HA H 185 4.650 4.650 4.626 0.024 17752 1105 1 2 . 1 1 88 88 LYS C C 185 172.274 172.274 174.067 -1.793 17752 1106 1 2 . 1 1 88 88 LYS CA C 185 53.192 53.192 53.825 -0.633 17752 1107 1 2 . 1 1 88 88 LYS CB C 185 33.530 33.530 32.519 1.011 17752 1108 1 2 . 1 1 88 88 LYS H H 185 8.680 8.680 8.128 0.552 17752 1109 1 2 . 1 1 89 89 PRO HA H 186 4.874 4.874 4.560 0.314 17752 1110 1 2 . 1 1 89 89 PRO C C 186 177.163 177.163 176.914 0.249 17752 1111 1 2 . 1 1 89 89 PRO CA C 186 60.867 60.867 62.802 -1.935 17752 1112 1 2 . 1 1 89 89 PRO CB C 186 31.041 31.041 32.301 -1.260 17752 1113 1 2 . 1 1 90 90 ASP N N 187 121.615 121.615 119.508 2.107 17752 1114 1 2 . 1 1 90 90 ASP HA H 187 4.571 4.571 4.314 0.257 17752 1115 1 2 . 1 1 90 90 ASP C C 187 176.587 176.587 176.706 -0.119 17752 1116 1 2 . 1 1 90 90 ASP CA C 187 56.898 56.898 55.562 1.336 17752 1117 1 2 . 1 1 90 90 ASP CB C 187 40.161 40.161 40.956 -0.795 17752 1118 1 2 . 1 1 90 90 ASP H H 187 8.377 8.377 8.929 -0.552 17752 1119 1 2 . 1 1 91 91 HIS N N 188 115.767 115.767 117.472 -1.705 17752 1120 1 2 . 1 1 91 91 HIS HA H 188 4.487 4.487 4.598 -0.111 17752 1121 1 2 . 1 1 91 91 HIS C C 188 174.877 174.877 174.619 0.258 17752 1122 1 2 . 1 1 91 91 HIS CA C 188 56.060 56.060 56.164 -0.104 17752 1123 1 2 . 1 1 91 91 HIS CB C 188 29.064 29.064 29.247 -0.183 17752 1124 1 2 . 1 1 91 91 HIS H H 188 8.020 8.020 8.540 -0.520 17752 1125 1 2 . 1 1 92 92 GLY N N 189 108.492 108.492 105.620 2.872 17752 1126 1 2 . 1 1 92 92 GLY C C 189 171.977 171.977 171.645 0.332 17752 1127 1 2 . 1 1 92 92 GLY CA C 189 44.356 44.356 45.259 -0.903 17752 1128 1 2 . 1 1 92 92 GLY H H 189 7.648 7.648 7.490 0.158 17752 1129 1 2 . 1 1 93 93 TYR N N 190 120.823 120.823 115.011 5.812 17752 1130 1 2 . 1 1 93 93 TYR HA H 190 4.589 4.589 5.042 -0.453 17752 1131 1 2 . 1 1 93 93 TYR C C 190 174.685 174.685 173.553 1.132 17752 1132 1 2 . 1 1 93 93 TYR CA C 190 55.924 55.924 56.571 -0.647 17752 1133 1 2 . 1 1 93 93 TYR CB C 190 40.462 40.462 40.694 -0.232 17752 1134 1 2 . 1 1 93 93 TYR H H 190 8.265 8.265 7.369 0.896 17752 1135 1 2 . 1 1 94 94 TRP N N 191 117.501 117.501 120.468 -2.967 17752 1136 1 2 . 1 1 94 94 TRP HA H 191 4.399 4.399 5.131 -0.732 17752 1137 1 2 . 1 1 94 94 TRP C C 191 178.522 178.522 175.375 3.147 17752 1138 1 2 . 1 1 94 94 TRP CA C 191 57.620 57.620 55.890 1.730 17752 1139 1 2 . 1 1 94 94 TRP CB C 191 30.530 30.530 32.257 -1.727 17752 1140 1 2 . 1 1 94 94 TRP H H 191 7.637 7.637 8.562 -0.925 17752 1141 1 2 . 1 1 95 95 SER N N 192 117.327 117.327 115.663 1.664 17752 1142 1 2 . 1 1 95 95 SER HA H 192 4.314 4.314 4.153 0.161 17752 1143 1 2 . 1 1 95 95 SER C C 192 173.924 173.924 173.136 0.788 17752 1144 1 2 . 1 1 95 95 SER CA C 192 57.840 57.840 58.228 -0.389 17752 1145 1 2 . 1 1 95 95 SER CB C 192 67.312 67.312 63.974 3.338 17752 1146 1 2 . 1 1 95 95 SER H H 192 9.755 9.755 8.599 1.156 17752 1147 1 2 . 1 1 96 96 ALA N N 193 120.747 120.747 122.721 -1.974 17752 1148 1 2 . 1 1 96 96 ALA HA H 193 4.134 4.134 4.529 -0.395 17752 1149 1 2 . 1 1 96 96 ALA C C 193 178.311 178.311 174.706 3.605 17752 1150 1 2 . 1 1 96 96 ALA CA C 193 52.387 52.387 52.135 0.252 17752 1151 1 2 . 1 1 96 96 ALA CB C 193 18.821 18.821 20.422 -1.601 17752 1152 1 2 . 1 1 96 96 ALA H H 193 8.824 8.824 7.580 1.244 17752 1153 1 2 . 1 1 97 97 TRP N N 194 120.634 120.634 119.348 1.286 17752 1154 1 2 . 1 1 97 97 TRP HA H 194 4.314 4.314 5.279 -0.965 17752 1155 1 2 . 1 1 97 97 TRP C C 194 177.944 177.944 175.982 1.962 17752 1156 1 2 . 1 1 97 97 TRP CA C 194 57.825 57.825 56.964 0.862 17752 1157 1 2 . 1 1 97 97 TRP CB C 194 29.702 29.702 31.715 -2.013 17752 1158 1 2 . 1 1 97 97 TRP H H 194 8.118 8.118 8.209 -0.091 17752 1159 1 2 . 1 1 98 98 SER N N 195 118.649 118.649 114.818 3.831 17752 1160 1 2 . 1 1 98 98 SER HA H 195 4.372 4.372 4.656 -0.284 17752 1161 1 2 . 1 1 98 98 SER C C 195 170.132 170.132 172.706 -2.574 17752 1162 1 2 . 1 1 98 98 SER CA C 195 57.851 57.851 59.286 -1.435 17752 1163 1 2 . 1 1 98 98 SER CB C 195 62.213 62.213 63.548 -1.335 17752 1164 1 2 . 1 1 98 98 SER H H 195 9.327 9.327 8.580 0.747 17752 1165 1 2 . 1 1 99 99 PRO HA H 196 4.585 4.585 4.486 0.099 17752 1166 1 2 . 1 1 99 99 PRO C C 196 178.242 178.242 174.978 3.264 17752 1167 1 2 . 1 1 99 99 PRO CA C 196 63.403 63.403 62.469 0.934 17752 1168 1 2 . 1 1 99 99 PRO CB C 196 31.405 31.405 30.447 0.958 17752 1169 1 2 . 1 1 100 100 ALA N N 197 127.219 127.219 127.480 -0.261 17752 1170 1 2 . 1 1 100 100 ALA HA H 197 4.680 4.680 4.610 0.070 17752 1171 1 2 . 1 1 100 100 ALA C C 197 178.043 178.043 176.735 1.308 17752 1172 1 2 . 1 1 100 100 ALA CA C 197 52.309 52.309 50.775 1.534 17752 1173 1 2 . 1 1 100 100 ALA CB C 197 18.973 18.973 19.635 -0.662 17752 1174 1 2 . 1 1 100 100 ALA H H 197 9.001 9.001 7.925 1.076 17752 1175 1 2 . 1 1 101 101 THR N N 198 118.178 118.178 121.165 -2.987 17752 1176 1 2 . 1 1 101 101 THR HA H 198 4.598 4.598 4.537 0.061 17752 1177 1 2 . 1 1 101 101 THR C C 198 172.242 172.242 173.201 -0.959 17752 1178 1 2 . 1 1 101 101 THR CA C 198 61.440 61.440 61.602 -0.162 17752 1179 1 2 . 1 1 101 101 THR CB C 198 70.945 70.945 70.132 0.813 17752 1180 1 2 . 1 1 101 101 THR H H 198 8.617 8.617 8.779 -0.162 17752 1181 1 2 . 1 1 102 102 PHE N N 199 123.141 123.141 126.268 -3.127 17752 1182 1 2 . 1 1 102 102 PHE HA H 199 5.867 5.867 5.006 0.861 17752 1183 1 2 . 1 1 102 102 PHE C C 199 175.273 175.273 175.716 -0.443 17752 1184 1 2 . 1 1 102 102 PHE CA C 199 55.877 55.877 57.738 -1.861 17752 1185 1 2 . 1 1 102 102 PHE CB C 199 42.052 42.052 39.830 2.222 17752 1186 1 2 . 1 1 102 102 PHE H H 199 8.419 8.419 8.883 -0.464 17752 1187 1 2 . 1 1 103 103 ILE N N 200 118.251 118.251 125.268 -7.017 17752 1188 1 2 . 1 1 103 103 ILE HA H 200 4.674 4.674 4.605 0.069 17752 1189 1 2 . 1 1 103 103 ILE C C 200 171.732 171.732 174.250 -2.518 17752 1190 1 2 . 1 1 103 103 ILE CA C 200 58.046 58.046 59.016 -0.970 17752 1191 1 2 . 1 1 103 103 ILE CB C 200 41.631 41.631 42.215 -0.584 17752 1192 1 2 . 1 1 103 103 ILE H H 200 8.940 8.940 9.177 -0.237 17752 1193 1 2 . 1 1 104 104 GLN N N 201 127.961 127.961 128.184 -0.223 17752 1194 1 2 . 1 1 104 104 GLN HA H 201 4.592 4.592 4.828 -0.236 17752 1195 1 2 . 1 1 104 104 GLN C C 201 174.363 174.363 175.750 -1.387 17752 1196 1 2 . 1 1 104 104 GLN CA C 201 54.484 54.484 54.422 0.062 17752 1197 1 2 . 1 1 104 104 GLN CB C 201 29.320 29.320 29.197 0.123 17752 1198 1 2 . 1 1 104 104 GLN H H 201 8.641 8.641 8.609 0.032 17752 1199 1 2 . 1 1 105 105 ILE N N 202 129.177 129.177 127.848 1.329 17752 1200 1 2 . 1 1 105 105 ILE HA H 202 4.406 4.406 4.262 0.144 17752 1201 1 2 . 1 1 105 105 ILE C C 202 175.609 175.609 174.763 0.846 17752 1202 1 2 . 1 1 105 105 ILE CA C 202 56.023 56.023 57.656 -1.633 17752 1203 1 2 . 1 1 105 105 ILE CB C 202 35.689 35.689 37.099 -1.410 17752 1204 1 2 . 1 1 105 105 ILE H H 202 8.676 8.676 8.976 -0.300 17752 1205 1 2 . 1 1 106 106 PRO HA H 203 4.578 4.578 4.570 0.008 17752 1206 1 2 . 1 1 106 106 PRO CB C 203 33.030 33.030 32.539 0.491 17752 1207 1 2 . 1 1 107 107 SER N N 204 115.204 115.204 115.764 -0.560 17752 1208 1 2 . 1 1 107 107 SER HA H 204 4.108 4.108 4.290 -0.182 17752 1209 1 2 . 1 1 107 107 SER C C 204 173.757 173.757 175.397 -1.640 17752 1210 1 2 . 1 1 107 107 SER CA C 204 60.355 60.355 60.840 -0.485 17752 1211 1 2 . 1 1 107 107 SER CB C 204 63.094 63.094 62.965 0.129 17752 1212 1 2 . 1 1 107 107 SER H H 204 7.914 7.914 8.804 -0.890 17752 1213 1 2 . 1 1 108 108 ASP N N 205 118.737 118.737 120.010 -1.273 17752 1214 1 2 . 1 1 108 108 ASP HA H 205 4.659 4.659 4.695 -0.036 17752 1215 1 2 . 1 1 108 108 ASP C C 205 175.704 175.704 176.043 -0.339 17752 1216 1 2 . 1 1 108 108 ASP CA C 205 53.229 53.229 54.650 -1.421 17752 1217 1 2 . 1 1 108 108 ASP CB C 205 40.152 40.152 39.999 0.153 17752 1218 1 2 . 1 1 108 108 ASP H H 205 8.244 8.244 8.526 -0.282 17752 1219 1 2 . 1 1 109 109 PHE N N 206 120.285 120.285 120.534 -0.249 17752 1220 1 2 . 1 1 109 109 PHE HA H 206 4.411 4.411 4.316 0.095 17752 1221 1 2 . 1 1 109 109 PHE C C 206 174.781 174.781 176.205 -1.424 17752 1222 1 2 . 1 1 109 109 PHE CA C 206 58.706 58.706 60.706 -2.000 17752 1223 1 2 . 1 1 109 109 PHE CB C 206 40.075 40.075 40.159 -0.084 17752 1224 1 2 . 1 1 109 109 PHE H H 206 7.595 7.595 7.869 -0.274 17752 1225 1 2 . 1 1 110 110 THR N N 207 115.253 115.253 113.388 1.865 17752 1226 1 2 . 1 1 110 110 THR HA H 207 4.294 4.294 3.944 0.350 17752 1227 1 2 . 1 1 110 110 THR C C 207 173.714 173.714 174.075 -0.361 17752 1228 1 2 . 1 1 110 110 THR CA C 207 61.742 61.742 64.208 -2.466 17752 1229 1 2 . 1 1 110 110 THR CB C 207 70.070 70.070 67.781 2.289 17752 1230 1 2 . 1 1 110 110 THR H H 207 7.812 7.812 7.910 -0.098 17752 1231 1 2 . 1 1 111 111 MET N N 208 122.575 122.575 118.554 4.021 17752 1232 1 2 . 1 1 111 111 MET HA H 208 4.555 4.555 4.534 0.021 17752 1233 1 2 . 1 1 111 111 MET C C 208 175.656 175.656 175.436 0.220 17752 1234 1 2 . 1 1 111 111 MET CA C 208 55.451 55.451 55.516 -0.065 17752 1235 1 2 . 1 1 111 111 MET CB C 208 33.175 33.175 33.829 -0.654 17752 1236 1 2 . 1 1 111 111 MET H H 208 8.391 8.391 8.008 0.383 17752 1237 1 2 . 1 1 112 112 ASN N N 209 120.351 120.351 118.735 1.616 17752 1238 1 2 . 1 1 112 112 ASN HA H 209 4.785 4.785 4.427 0.358 17752 1239 1 2 . 1 1 112 112 ASN C C 209 173.846 173.846 173.550 0.296 17752 1240 1 2 . 1 1 112 112 ASN CA C 209 53.341 53.341 53.168 0.173 17752 1241 1 2 . 1 1 112 112 ASN CB C 209 39.600 39.600 38.219 1.381 17752 1242 1 2 . 1 1 112 112 ASN H H 209 8.442 8.442 8.210 0.232 17752 1243 1 3 . 1 1 2 2 TYR HA H 99 4.624 4.624 4.671 -0.047 17752 1244 1 3 . 1 1 2 2 TYR C C 99 174.994 174.994 174.135 0.859 17752 1245 1 3 . 1 1 2 2 TYR CA C 99 57.524 57.524 57.892 -0.368 17752 1246 1 3 . 1 1 2 2 TYR CB C 99 38.543 38.543 40.519 -1.976 17752 1247 1 3 . 1 1 3 3 ILE N N 100 124.242 124.242 121.026 3.216 17752 1248 1 3 . 1 1 3 3 ILE HA H 100 4.058 4.058 3.787 0.271 17752 1249 1 3 . 1 1 3 3 ILE C C 100 174.994 174.994 175.510 -0.516 17752 1250 1 3 . 1 1 3 3 ILE CA C 100 60.621 60.621 63.152 -2.531 17752 1251 1 3 . 1 1 3 3 ILE CB C 100 38.685 38.685 37.749 0.936 17752 1252 1 3 . 1 1 3 3 ILE H H 100 8.034 8.034 7.237 0.797 17752 1253 1 3 . 1 1 4 4 VAL N N 101 123.770 123.770 118.615 5.155 17752 1254 1 3 . 1 1 4 4 VAL HA H 101 4.024 4.024 3.985 0.039 17752 1255 1 3 . 1 1 4 4 VAL C C 101 174.457 174.457 175.030 -0.573 17752 1256 1 3 . 1 1 4 4 VAL CA C 101 62.142 62.142 61.674 0.468 17752 1257 1 3 . 1 1 4 4 VAL CB C 101 32.961 32.961 31.811 1.150 17752 1258 1 3 . 1 1 4 4 VAL H H 101 7.858 7.858 7.512 0.346 17752 1259 1 3 . 1 1 5 5 GLN N N 102 124.937 124.937 128.938 -4.001 17752 1260 1 3 . 1 1 5 5 GLN HA H 102 4.859 4.859 4.748 0.111 17752 1261 1 3 . 1 1 5 5 GLN C C 102 173.189 173.189 173.642 -0.453 17752 1262 1 3 . 1 1 5 5 GLN CA C 102 52.458 52.458 52.500 -0.042 17752 1263 1 3 . 1 1 5 5 GLN CB C 102 30.185 30.185 29.344 0.841 17752 1264 1 3 . 1 1 5 5 GLN H H 102 8.269 8.269 8.093 0.176 17752 1265 1 3 . 1 1 6 6 PRO HA H 103 4.533 4.533 4.411 0.122 17752 1266 1 3 . 1 1 6 6 PRO C C 103 175.646 175.646 175.676 -0.030 17752 1267 1 3 . 1 1 6 6 PRO CA C 103 62.290 62.290 63.164 -0.874 17752 1268 1 3 . 1 1 6 6 PRO CB C 103 31.983 31.983 32.346 -0.363 17752 1269 1 3 . 1 1 7 7 ASP N N 104 120.340 120.340 122.753 -2.413 17752 1270 1 3 . 1 1 7 7 ASP HA H 104 4.851 4.851 4.829 0.022 17752 1271 1 3 . 1 1 7 7 ASP C C 104 171.565 171.565 173.872 -2.307 17752 1272 1 3 . 1 1 7 7 ASP CA C 104 53.742 53.742 51.936 1.806 17752 1273 1 3 . 1 1 7 7 ASP CB C 104 40.258 40.258 41.408 -1.150 17752 1274 1 3 . 1 1 7 7 ASP H H 104 7.897 7.897 8.467 -0.571 17752 1275 1 3 . 1 1 9 9 PRO HA H 106 4.332 4.332 4.511 -0.179 17752 1276 1 3 . 1 1 9 9 PRO C C 106 174.091 174.091 176.388 -2.297 17752 1277 1 3 . 1 1 9 9 PRO CA C 106 62.569 62.569 62.973 -0.404 17752 1278 1 3 . 1 1 9 9 PRO CB C 106 32.391 32.391 32.725 -0.334 17752 1279 1 3 . 1 1 10 10 LEU N N 107 118.910 118.910 115.986 2.924 17752 1280 1 3 . 1 1 10 10 LEU HA H 107 4.642 4.642 4.852 -0.210 17752 1281 1 3 . 1 1 10 10 LEU C C 107 175.964 175.964 175.947 0.017 17752 1282 1 3 . 1 1 10 10 LEU CA C 107 53.919 53.919 53.588 0.331 17752 1283 1 3 . 1 1 10 10 LEU CB C 107 46.315 46.315 43.979 2.336 17752 1284 1 3 . 1 1 10 10 LEU H H 107 7.793 7.793 8.591 -0.798 17752 1285 1 3 . 1 1 11 11 GLU N N 108 113.307 113.307 116.539 -3.232 17752 1286 1 3 . 1 1 11 11 GLU HA H 108 3.805 3.805 3.965 -0.160 17752 1287 1 3 . 1 1 11 11 GLU C C 108 175.118 175.118 175.073 0.045 17752 1288 1 3 . 1 1 11 11 GLU CA C 108 56.418 56.418 56.994 -0.576 17752 1289 1 3 . 1 1 11 11 GLU CB C 108 27.789 27.789 28.117 -0.328 17752 1290 1 3 . 1 1 11 11 GLU H H 108 8.539 8.539 8.648 -0.109 17752 1291 1 3 . 1 1 12 12 LEU N N 109 120.420 120.420 121.490 -1.070 17752 1292 1 3 . 1 1 12 12 LEU HA H 109 4.903 4.903 4.408 0.495 17752 1293 1 3 . 1 1 12 12 LEU C C 109 176.238 176.238 175.948 0.290 17752 1294 1 3 . 1 1 12 12 LEU CA C 109 56.228 56.228 55.042 1.186 17752 1295 1 3 . 1 1 12 12 LEU CB C 109 42.021 42.021 41.951 0.070 17752 1296 1 3 . 1 1 12 12 LEU H H 109 8.053 8.053 7.997 0.056 17752 1297 1 3 . 1 1 13 13 ALA N N 110 132.286 132.286 131.833 0.453 17752 1298 1 3 . 1 1 13 13 ALA HA H 110 4.833 4.833 4.674 0.159 17752 1299 1 3 . 1 1 13 13 ALA C C 110 175.560 175.560 175.503 0.057 17752 1300 1 3 . 1 1 13 13 ALA CA C 110 51.152 51.152 51.435 -0.283 17752 1301 1 3 . 1 1 13 13 ALA CB C 110 21.788 21.788 20.090 1.698 17752 1302 1 3 . 1 1 13 13 ALA H H 110 9.653 9.653 8.830 0.823 17752 1303 1 3 . 1 1 14 14 VAL N N 111 116.305 116.305 125.350 -9.045 17752 1304 1 3 . 1 1 14 14 VAL HA H 111 5.293 5.293 4.622 0.671 17752 1305 1 3 . 1 1 14 14 VAL C C 111 174.459 174.459 175.391 -0.932 17752 1306 1 3 . 1 1 14 14 VAL CA C 111 59.146 59.146 61.291 -2.145 17752 1307 1 3 . 1 1 14 14 VAL CB C 111 35.256 35.256 33.351 1.905 17752 1308 1 3 . 1 1 14 14 VAL H H 111 8.477 8.477 8.574 -0.097 17752 1309 1 3 . 1 1 15 15 GLU N N 112 122.235 122.235 125.775 -3.540 17752 1310 1 3 . 1 1 15 15 GLU HA H 112 4.659 4.659 4.678 -0.019 17752 1311 1 3 . 1 1 15 15 GLU C C 112 174.581 174.581 173.974 0.607 17752 1312 1 3 . 1 1 15 15 GLU CA C 112 55.224 55.224 53.954 1.270 17752 1313 1 3 . 1 1 15 15 GLU CB C 112 34.744 34.744 33.467 1.277 17752 1314 1 3 . 1 1 15 15 GLU H H 112 8.947 8.947 8.809 0.138 17752 1315 1 3 . 1 1 16 16 VAL N N 113 124.568 124.568 121.271 3.297 17752 1316 1 3 . 1 1 16 16 VAL HA H 113 4.441 4.441 4.798 -0.357 17752 1317 1 3 . 1 1 16 16 VAL C C 113 175.480 175.480 174.921 0.559 17752 1318 1 3 . 1 1 16 16 VAL CA C 113 62.281 62.281 60.743 1.538 17752 1319 1 3 . 1 1 16 16 VAL CB C 113 31.565 31.565 33.959 -2.394 17752 1320 1 3 . 1 1 16 16 VAL H H 113 9.044 9.044 8.615 0.429 17752 1321 1 3 . 1 1 17 17 LYS N N 114 128.676 128.676 128.872 -0.196 17752 1322 1 3 . 1 1 17 17 LYS HA H 114 4.403 4.403 4.610 -0.207 17752 1323 1 3 . 1 1 17 17 LYS C C 114 174.547 174.547 174.500 0.047 17752 1324 1 3 . 1 1 17 17 LYS CA C 114 53.518 53.518 53.861 -0.343 17752 1325 1 3 . 1 1 17 17 LYS CB C 114 32.995 32.995 34.663 -1.668 17752 1326 1 3 . 1 1 17 17 LYS H H 114 8.788 8.788 8.656 0.132 17752 1327 1 3 . 1 1 18 18 GLN N N 115 119.854 119.854 123.804 -3.950 17752 1328 1 3 . 1 1 18 18 GLN HA H 115 4.691 4.691 4.424 0.267 17752 1329 1 3 . 1 1 18 18 GLN C C 115 172.587 172.587 173.985 -1.398 17752 1330 1 3 . 1 1 18 18 GLN CA C 115 52.787 52.787 53.505 -0.718 17752 1331 1 3 . 1 1 18 18 GLN CB C 115 30.109 30.109 28.945 1.164 17752 1332 1 3 . 1 1 18 18 GLN H H 115 8.537 8.537 8.470 0.067 17752 1333 1 3 . 1 1 19 19 PRO HA H 116 4.526 4.526 4.442 0.084 17752 1334 1 3 . 1 1 19 19 PRO C C 116 176.958 176.958 176.421 0.537 17752 1335 1 3 . 1 1 19 19 PRO CA C 116 62.106 62.106 62.374 -0.268 17752 1336 1 3 . 1 1 19 19 PRO CB C 116 32.375 32.375 32.481 -0.106 17752 1337 1 3 . 1 1 20 20 GLU N N 117 119.774 119.774 118.721 1.053 17752 1338 1 3 . 1 1 20 20 GLU HA H 117 4.079 4.079 4.099 -0.020 17752 1339 1 3 . 1 1 20 20 GLU C C 117 176.961 176.961 176.624 0.337 17752 1340 1 3 . 1 1 20 20 GLU CA C 117 58.256 58.256 57.691 0.565 17752 1341 1 3 . 1 1 20 20 GLU CB C 117 29.653 29.653 29.629 0.024 17752 1342 1 3 . 1 1 20 20 GLU H H 117 8.806 8.806 8.365 0.441 17752 1343 1 3 . 1 1 21 21 ASP N N 118 116.513 116.513 118.886 -2.373 17752 1344 1 3 . 1 1 21 21 ASP HA H 118 4.482 4.482 4.576 -0.094 17752 1345 1 3 . 1 1 21 21 ASP C C 118 175.271 175.271 176.603 -1.332 17752 1346 1 3 . 1 1 21 21 ASP CA C 118 54.231 54.231 54.227 0.004 17752 1347 1 3 . 1 1 21 21 ASP CB C 118 40.460 40.460 40.807 -0.347 17752 1348 1 3 . 1 1 21 21 ASP H H 118 8.449 8.449 8.089 0.360 17752 1349 1 3 . 1 1 22 22 ARG N N 119 115.342 115.342 121.946 -6.604 17752 1350 1 3 . 1 1 22 22 ARG HA H 119 4.491 4.491 4.391 0.100 17752 1351 1 3 . 1 1 22 22 ARG C C 119 174.745 174.745 175.948 -1.203 17752 1352 1 3 . 1 1 22 22 ARG CA C 119 54.806 54.806 55.404 -0.598 17752 1353 1 3 . 1 1 22 22 ARG CB C 119 32.004 32.004 30.861 1.143 17752 1354 1 3 . 1 1 22 22 ARG H H 119 7.448 7.448 7.914 -0.466 17752 1355 1 3 . 1 1 23 23 LYS N N 120 119.981 119.981 121.902 -1.921 17752 1356 1 3 . 1 1 23 23 LYS HA H 120 4.489 4.489 4.393 0.096 17752 1357 1 3 . 1 1 23 23 LYS C C 120 173.641 173.641 175.073 -1.432 17752 1358 1 3 . 1 1 23 23 LYS CA C 120 54.621 54.621 54.889 -0.268 17752 1359 1 3 . 1 1 23 23 LYS CB C 120 31.611 31.611 32.317 -0.706 17752 1360 1 3 . 1 1 23 23 LYS H H 120 7.982 7.982 8.261 -0.279 17752 1361 1 3 . 1 1 24 24 PRO HA H 121 4.813 4.813 4.273 0.540 17752 1362 1 3 . 1 1 24 24 PRO C C 121 174.901 174.901 175.483 -0.582 17752 1363 1 3 . 1 1 24 24 PRO CA C 121 62.720 62.720 62.894 -0.174 17752 1364 1 3 . 1 1 24 24 PRO CB C 121 33.066 33.066 31.334 1.732 17752 1365 1 3 . 1 1 25 25 TYR N N 122 111.573 111.573 119.655 -8.082 17752 1366 1 3 . 1 1 25 25 TYR HA H 122 5.134 5.134 5.309 -0.175 17752 1367 1 3 . 1 1 25 25 TYR C C 122 172.672 172.672 173.413 -0.741 17752 1368 1 3 . 1 1 25 25 TYR CA C 122 55.650 55.650 55.268 0.382 17752 1369 1 3 . 1 1 25 25 TYR CB C 122 40.394 40.394 41.047 -0.653 17752 1370 1 3 . 1 1 25 25 TYR H H 122 8.287 8.287 8.377 -0.090 17752 1371 1 3 . 1 1 26 26 LEU N N 123 120.288 120.288 122.110 -1.822 17752 1372 1 3 . 1 1 26 26 LEU HA H 123 4.907 4.907 4.807 0.100 17752 1373 1 3 . 1 1 26 26 LEU C C 123 174.277 174.277 175.644 -1.367 17752 1374 1 3 . 1 1 26 26 LEU CA C 123 53.789 53.789 54.678 -0.889 17752 1375 1 3 . 1 1 26 26 LEU CB C 123 44.717 44.717 44.129 0.588 17752 1376 1 3 . 1 1 26 26 LEU H H 123 9.073 9.073 8.608 0.465 17752 1377 1 3 . 1 1 27 27 TRP N N 124 130.187 130.187 131.834 -1.647 17752 1378 1 3 . 1 1 27 27 TRP HA H 124 5.555 5.555 5.381 0.174 17752 1379 1 3 . 1 1 27 27 TRP C C 124 173.810 173.810 174.504 -0.694 17752 1380 1 3 . 1 1 27 27 TRP CA C 124 55.161 55.161 54.153 1.008 17752 1381 1 3 . 1 1 27 27 TRP CB C 124 31.383 31.383 30.379 1.004 17752 1382 1 3 . 1 1 27 27 TRP H H 124 9.628 9.628 9.629 -0.001 17752 1383 1 3 . 1 1 28 28 ILE N N 125 128.941 128.941 130.497 -1.556 17752 1384 1 3 . 1 1 28 28 ILE HA H 125 4.814 4.814 4.777 0.037 17752 1385 1 3 . 1 1 28 28 ILE C C 125 173.004 173.004 174.306 -1.302 17752 1386 1 3 . 1 1 28 28 ILE CA C 125 60.152 60.152 60.292 -0.140 17752 1387 1 3 . 1 1 28 28 ILE CB C 125 41.018 41.018 38.838 2.180 17752 1388 1 3 . 1 1 28 28 ILE H H 125 8.867 8.867 9.408 -0.541 17752 1389 1 3 . 1 1 29 29 LYS N N 126 124.705 124.705 125.709 -1.004 17752 1390 1 3 . 1 1 29 29 LYS HA H 126 4.553 4.553 4.555 -0.002 17752 1391 1 3 . 1 1 29 29 LYS C C 126 173.764 173.764 174.532 -0.768 17752 1392 1 3 . 1 1 29 29 LYS CA C 126 55.137 55.137 54.093 1.044 17752 1393 1 3 . 1 1 29 29 LYS CB C 126 35.952 35.952 35.239 0.713 17752 1394 1 3 . 1 1 29 29 LYS H H 126 8.789 8.789 8.851 -0.062 17752 1395 1 3 . 1 1 30 30 TRP N N 127 118.127 118.127 122.257 -4.130 17752 1396 1 3 . 1 1 30 30 TRP HA H 127 5.010 5.010 5.445 -0.435 17752 1397 1 3 . 1 1 30 30 TRP C C 127 173.354 173.354 175.536 -2.182 17752 1398 1 3 . 1 1 30 30 TRP CA C 127 57.079 57.079 54.186 2.893 17752 1399 1 3 . 1 1 30 30 TRP CB C 127 29.480 29.480 31.064 -1.584 17752 1400 1 3 . 1 1 30 30 TRP H H 127 7.408 7.408 7.244 0.164 17752 1401 1 3 . 1 1 31 31 SER N N 128 113.791 113.791 117.844 -4.053 17752 1402 1 3 . 1 1 31 31 SER HA H 128 5.137 5.137 4.820 0.317 17752 1403 1 3 . 1 1 31 31 SER C C 128 171.258 171.258 173.018 -1.760 17752 1404 1 3 . 1 1 31 31 SER CA C 128 55.299 55.299 56.148 -0.848 17752 1405 1 3 . 1 1 31 31 SER CB C 128 63.849 63.849 62.609 1.240 17752 1406 1 3 . 1 1 31 31 SER H H 128 8.972 8.972 8.858 0.114 17752 1407 1 3 . 1 1 32 32 PRO HA H 129 4.953 4.953 4.667 0.286 17752 1408 1 3 . 1 1 33 33 PRO HA H 130 4.515 4.515 4.452 0.063 17752 1409 1 3 . 1 1 33 33 PRO C C 130 176.322 176.322 178.168 -1.846 17752 1410 1 3 . 1 1 33 33 PRO CA C 130 62.668 62.668 63.177 -0.509 17752 1411 1 3 . 1 1 33 33 PRO CB C 130 32.077 32.077 32.137 -0.060 17752 1412 1 3 . 1 1 34 34 THR N N 131 113.844 113.844 117.110 -3.266 17752 1413 1 3 . 1 1 34 34 THR HA H 131 4.147 4.147 4.236 -0.089 17752 1414 1 3 . 1 1 34 34 THR C C 131 174.576 174.576 175.559 -0.983 17752 1415 1 3 . 1 1 34 34 THR CA C 131 62.833 62.833 64.891 -2.058 17752 1416 1 3 . 1 1 34 34 THR CB C 131 69.346 69.346 69.078 0.268 17752 1417 1 3 . 1 1 34 34 THR H H 131 8.128 8.128 8.563 -0.435 17752 1418 1 3 . 1 1 35 35 LEU N N 132 125.831 125.831 118.476 7.355 17752 1419 1 3 . 1 1 35 35 LEU HA H 132 4.432 4.432 4.328 0.104 17752 1420 1 3 . 1 1 35 35 LEU C C 132 176.794 176.794 178.711 -1.917 17752 1421 1 3 . 1 1 35 35 LEU CA C 132 54.799 54.799 54.556 0.243 17752 1422 1 3 . 1 1 35 35 LEU CB C 132 42.344 42.344 42.643 -0.299 17752 1423 1 3 . 1 1 35 35 LEU H H 132 8.336 8.336 7.629 0.707 17752 1424 1 3 . 1 1 36 36 ILE N N 133 121.733 121.733 114.362 7.371 17752 1425 1 3 . 1 1 36 36 ILE HA H 133 4.070 4.070 3.723 0.347 17752 1426 1 3 . 1 1 36 36 ILE C C 133 175.690 175.690 175.010 0.680 17752 1427 1 3 . 1 1 36 36 ILE CA C 133 61.695 61.695 63.608 -1.913 17752 1428 1 3 . 1 1 36 36 ILE CB C 133 38.553 38.553 37.795 0.758 17752 1429 1 3 . 1 1 36 36 ILE H H 133 8.054 8.054 8.855 -0.801 17752 1430 1 3 . 1 1 37 37 ASP N N 134 121.852 121.852 119.297 2.555 17752 1431 1 3 . 1 1 37 37 ASP HA H 134 4.573 4.573 4.306 0.267 17752 1432 1 3 . 1 1 37 37 ASP C C 134 176.011 176.011 175.658 0.353 17752 1433 1 3 . 1 1 37 37 ASP CA C 134 54.346 54.346 54.964 -0.618 17752 1434 1 3 . 1 1 37 37 ASP CB C 134 41.096 41.096 40.015 1.081 17752 1435 1 3 . 1 1 37 37 ASP H H 134 8.254 8.254 8.394 -0.140 17752 1436 1 3 . 1 1 38 38 LEU N N 135 122.044 122.044 122.020 0.024 17752 1437 1 3 . 1 1 38 38 LEU HA H 135 4.225 4.225 4.469 -0.244 17752 1438 1 3 . 1 1 38 38 LEU C C 135 177.779 177.779 177.397 0.382 17752 1439 1 3 . 1 1 38 38 LEU CA C 135 55.748 55.748 55.620 0.129 17752 1440 1 3 . 1 1 38 38 LEU CB C 135 42.220 42.220 41.570 0.650 17752 1441 1 3 . 1 1 38 38 LEU H H 135 8.052 8.052 8.540 -0.488 17752 1442 1 3 . 1 1 39 39 LYS N N 136 119.589 119.589 124.910 -5.321 17752 1443 1 3 . 1 1 39 39 LYS HA H 136 4.225 4.225 4.443 -0.218 17752 1444 1 3 . 1 1 39 39 LYS C C 136 177.024 177.024 176.291 0.733 17752 1445 1 3 . 1 1 39 39 LYS CA C 136 57.161 57.161 56.054 1.107 17752 1446 1 3 . 1 1 39 39 LYS CB C 136 32.220 32.220 33.181 -0.961 17752 1447 1 3 . 1 1 39 39 LYS H H 136 8.295 8.295 8.173 0.122 17752 1448 1 3 . 1 1 40 40 THR N N 137 112.003 112.003 114.632 -2.629 17752 1449 1 3 . 1 1 40 40 THR HA H 137 4.189 4.189 4.510 -0.321 17752 1450 1 3 . 1 1 40 40 THR C C 137 174.914 174.914 175.550 -0.636 17752 1451 1 3 . 1 1 40 40 THR CA C 137 62.152 62.152 61.871 0.281 17752 1452 1 3 . 1 1 40 40 THR CB C 137 69.513 69.513 69.638 -0.125 17752 1453 1 3 . 1 1 40 40 THR H H 137 7.787 7.787 8.085 -0.298 17752 1454 1 3 . 1 1 41 41 GLY N N 138 109.975 109.975 116.153 -6.178 17752 1455 1 3 . 1 1 41 41 GLY C C 138 173.470 173.470 174.350 -0.880 17752 1456 1 3 . 1 1 41 41 GLY CA C 138 45.370 45.370 44.941 0.429 17752 1457 1 3 . 1 1 41 41 GLY H H 138 8.017 8.017 8.534 -0.517 17752 1458 1 3 . 1 1 42 42 TRP N N 139 119.581 119.581 122.377 -2.796 17752 1459 1 3 . 1 1 42 42 TRP HA H 139 4.634 4.634 4.765 -0.131 17752 1460 1 3 . 1 1 42 42 TRP C C 139 175.349 175.349 175.715 -0.366 17752 1461 1 3 . 1 1 42 42 TRP CA C 139 56.762 56.762 56.283 0.479 17752 1462 1 3 . 1 1 42 42 TRP CB C 139 29.199 29.199 29.687 -0.488 17752 1463 1 3 . 1 1 42 42 TRP H H 139 7.787 7.787 8.357 -0.570 17752 1464 1 3 . 1 1 43 43 PHE N N 140 119.509 119.509 122.649 -3.140 17752 1465 1 3 . 1 1 43 43 PHE HA H 140 4.675 4.675 4.164 0.511 17752 1466 1 3 . 1 1 43 43 PHE C C 140 174.658 174.658 174.104 0.554 17752 1467 1 3 . 1 1 43 43 PHE CA C 140 57.106 57.106 58.026 -0.920 17752 1468 1 3 . 1 1 43 43 PHE CB C 140 40.150 40.150 39.111 1.038 17752 1469 1 3 . 1 1 43 43 PHE H H 140 7.871 7.871 7.366 0.505 17752 1470 1 3 . 1 1 44 44 THR N N 141 116.290 116.290 121.700 -5.410 17752 1471 1 3 . 1 1 44 44 THR HA H 141 4.323 4.323 3.968 0.355 17752 1472 1 3 . 1 1 44 44 THR C C 141 173.009 173.009 172.434 0.575 17752 1473 1 3 . 1 1 44 44 THR CA C 141 61.830 61.830 60.968 0.863 17752 1474 1 3 . 1 1 44 44 THR CB C 141 70.489 70.489 71.082 -0.593 17752 1475 1 3 . 1 1 44 44 THR H H 141 8.380 8.380 7.734 0.646 17752 1476 1 3 . 1 1 45 45 LEU N N 142 124.270 124.270 125.297 -1.027 17752 1477 1 3 . 1 1 45 45 LEU HA H 142 4.519 4.519 4.431 0.088 17752 1478 1 3 . 1 1 45 45 LEU C C 142 174.651 174.651 175.105 -0.454 17752 1479 1 3 . 1 1 45 45 LEU CA C 142 53.847 53.847 52.991 0.856 17752 1480 1 3 . 1 1 45 45 LEU CB C 142 44.418 44.418 43.763 0.655 17752 1481 1 3 . 1 1 45 45 LEU H H 142 7.972 7.972 7.994 -0.022 17752 1482 1 3 . 1 1 46 46 LEU N N 143 120.086 120.086 125.611 -5.525 17752 1483 1 3 . 1 1 46 46 LEU HA H 143 4.666 4.666 4.557 0.109 17752 1484 1 3 . 1 1 46 46 LEU C C 143 176.553 176.553 175.818 0.735 17752 1485 1 3 . 1 1 46 46 LEU CA C 143 52.236 52.236 53.686 -1.450 17752 1486 1 3 . 1 1 46 46 LEU CB C 143 44.725 44.725 42.555 2.170 17752 1487 1 3 . 1 1 46 46 LEU H H 143 8.330 8.330 8.351 -0.021 17752 1488 1 3 . 1 1 47 47 TYR N N 144 115.644 115.644 122.140 -6.496 17752 1489 1 3 . 1 1 47 47 TYR HA H 144 5.650 5.650 4.768 0.882 17752 1490 1 3 . 1 1 47 47 TYR C C 144 175.013 175.013 175.045 -0.032 17752 1491 1 3 . 1 1 47 47 TYR CA C 144 57.301 57.301 56.716 0.585 17752 1492 1 3 . 1 1 47 47 TYR CB C 144 43.200 43.200 40.988 2.212 17752 1493 1 3 . 1 1 47 47 TYR H H 144 8.674 8.674 8.684 -0.010 17752 1494 1 3 . 1 1 48 48 GLU N N 145 120.669 120.669 119.948 0.721 17752 1495 1 3 . 1 1 48 48 GLU HA H 145 4.835 4.835 4.719 0.116 17752 1496 1 3 . 1 1 48 48 GLU C C 145 173.623 173.623 174.710 -1.087 17752 1497 1 3 . 1 1 48 48 GLU CA C 145 54.810 54.810 55.278 -0.468 17752 1498 1 3 . 1 1 48 48 GLU CB C 145 35.923 35.923 34.503 1.420 17752 1499 1 3 . 1 1 48 48 GLU H H 145 8.186 8.186 8.878 -0.692 17752 1500 1 3 . 1 1 49 49 ILE N N 146 118.773 118.773 123.867 -5.094 17752 1501 1 3 . 1 1 49 49 ILE HA H 146 5.069 5.069 5.041 0.028 17752 1502 1 3 . 1 1 49 49 ILE C C 146 174.840 174.840 174.435 0.405 17752 1503 1 3 . 1 1 49 49 ILE CA C 146 58.375 58.375 59.909 -1.534 17752 1504 1 3 . 1 1 49 49 ILE CB C 146 42.256 42.256 40.090 2.166 17752 1505 1 3 . 1 1 49 49 ILE H H 146 8.707 8.707 9.152 -0.445 17752 1506 1 3 . 1 1 50 50 ARG N N 147 120.594 120.594 127.871 -7.277 17752 1507 1 3 . 1 1 50 50 ARG HA H 147 5.882 5.882 5.464 0.418 17752 1508 1 3 . 1 1 50 50 ARG C C 147 172.997 172.997 174.438 -1.441 17752 1509 1 3 . 1 1 50 50 ARG CA C 147 53.454 53.454 54.014 -0.560 17752 1510 1 3 . 1 1 50 50 ARG CB C 147 34.273 34.273 31.434 2.838 17752 1511 1 3 . 1 1 50 50 ARG H H 147 8.922 8.922 8.697 0.225 17752 1512 1 3 . 1 1 51 51 LEU N N 148 119.958 119.958 121.705 -1.747 17752 1513 1 3 . 1 1 51 51 LEU HA H 148 6.200 6.200 6.088 0.112 17752 1514 1 3 . 1 1 51 51 LEU C C 148 175.544 175.544 174.794 0.750 17752 1515 1 3 . 1 1 51 51 LEU CA C 148 54.601 54.601 53.433 1.168 17752 1516 1 3 . 1 1 51 51 LEU CB C 148 46.908 46.908 46.593 0.315 17752 1517 1 3 . 1 1 51 51 LEU H H 148 9.242 9.242 9.163 0.079 17752 1518 1 3 . 1 1 52 52 LYS N N 149 116.000 116.000 114.519 1.481 17752 1519 1 3 . 1 1 52 52 LYS HA H 149 4.945 4.945 4.767 0.178 17752 1520 1 3 . 1 1 52 52 LYS C C 149 172.459 172.459 173.449 -0.990 17752 1521 1 3 . 1 1 52 52 LYS CA C 149 54.828 54.828 54.450 0.378 17752 1522 1 3 . 1 1 52 52 LYS CB C 149 32.809 32.809 34.088 -1.279 17752 1523 1 3 . 1 1 52 52 LYS H H 149 8.399 8.399 8.360 0.039 17752 1524 1 3 . 1 1 53 53 PRO HA H 150 4.103 4.103 4.365 -0.262 17752 1525 1 3 . 1 1 53 53 PRO C C 150 178.630 178.630 178.380 0.250 17752 1526 1 3 . 1 1 53 53 PRO CA C 150 61.651 61.651 61.976 -0.325 17752 1527 1 3 . 1 1 53 53 PRO CB C 150 31.521 31.521 32.148 -0.627 17752 1528 1 3 . 1 1 54 54 GLU N N 151 125.100 125.100 120.722 4.378 17752 1529 1 3 . 1 1 54 54 GLU HA H 151 3.580 3.580 3.925 -0.345 17752 1530 1 3 . 1 1 54 54 GLU C C 151 176.912 176.912 177.053 -0.141 17752 1531 1 3 . 1 1 54 54 GLU CA C 151 60.163 60.163 58.759 1.404 17752 1532 1 3 . 1 1 54 54 GLU CB C 151 30.024 30.024 28.937 1.087 17752 1533 1 3 . 1 1 54 54 GLU H H 151 8.865 8.865 8.416 0.449 17752 1534 1 3 . 1 1 55 55 LYS N N 152 113.857 113.857 117.563 -3.706 17752 1535 1 3 . 1 1 55 55 LYS HA H 152 4.150 4.150 4.329 -0.179 17752 1536 1 3 . 1 1 55 55 LYS C C 152 176.530 176.530 175.557 0.973 17752 1537 1 3 . 1 1 55 55 LYS CA C 152 56.088 56.088 55.527 0.561 17752 1538 1 3 . 1 1 55 55 LYS CB C 152 31.681 31.681 32.479 -0.798 17752 1539 1 3 . 1 1 55 55 LYS H H 152 8.356 8.356 7.922 0.434 17752 1540 1 3 . 1 1 56 56 ALA N N 153 121.720 121.720 122.366 -0.646 17752 1541 1 3 . 1 1 56 56 ALA HA H 153 4.252 4.252 4.466 -0.214 17752 1542 1 3 . 1 1 56 56 ALA C C 153 177.098 177.098 177.141 -0.043 17752 1543 1 3 . 1 1 56 56 ALA CA C 153 51.651 51.651 51.406 0.245 17752 1544 1 3 . 1 1 56 56 ALA CB C 153 20.289 20.289 20.329 -0.041 17752 1545 1 3 . 1 1 56 56 ALA H H 153 7.359 7.359 7.560 -0.201 17752 1546 1 3 . 1 1 57 57 ALA HA H 154 4.171 4.171 4.172 -0.001 17752 1547 1 3 . 1 1 57 57 ALA C C 154 177.719 177.719 177.946 -0.227 17752 1548 1 3 . 1 1 57 57 ALA CA C 154 53.285 53.285 53.139 0.146 17752 1549 1 3 . 1 1 57 57 ALA CB C 154 19.767 19.767 18.760 1.007 17752 1550 1 3 . 1 1 58 58 GLU N N 155 115.658 115.658 117.825 -2.167 17752 1551 1 3 . 1 1 58 58 GLU HA H 155 4.556 4.556 4.456 0.100 17752 1552 1 3 . 1 1 58 58 GLU C C 155 174.857 174.857 175.244 -0.387 17752 1553 1 3 . 1 1 58 58 GLU CA C 155 54.771 54.771 55.271 -0.500 17752 1554 1 3 . 1 1 58 58 GLU CB C 155 32.247 32.247 30.570 1.677 17752 1555 1 3 . 1 1 58 58 GLU H H 155 7.527 7.527 8.106 -0.579 17752 1556 1 3 . 1 1 59 59 TRP N N 156 121.007 121.007 120.874 0.133 17752 1557 1 3 . 1 1 59 59 TRP HA H 156 4.334 4.334 4.629 -0.295 17752 1558 1 3 . 1 1 59 59 TRP C C 156 176.227 176.227 176.340 -0.113 17752 1559 1 3 . 1 1 59 59 TRP CA C 156 56.986 56.986 56.693 0.293 17752 1560 1 3 . 1 1 59 59 TRP CB C 156 31.064 31.064 30.830 0.234 17752 1561 1 3 . 1 1 59 59 TRP H H 156 8.499 8.499 8.359 0.140 17752 1562 1 3 . 1 1 60 60 GLU N N 157 123.107 123.107 123.524 -0.417 17752 1563 1 3 . 1 1 60 60 GLU HA H 157 4.689 4.689 4.565 0.124 17752 1564 1 3 . 1 1 60 60 GLU C C 157 174.904 174.904 175.802 -0.898 17752 1565 1 3 . 1 1 60 60 GLU CA C 157 55.797 55.797 55.876 -0.079 17752 1566 1 3 . 1 1 60 60 GLU CB C 157 31.671 31.671 31.250 0.421 17752 1567 1 3 . 1 1 60 60 GLU H H 157 8.930 8.930 9.054 -0.124 17752 1568 1 3 . 1 1 61 61 ILE N N 158 124.822 124.822 126.599 -1.777 17752 1569 1 3 . 1 1 61 61 ILE HA H 158 4.972 4.972 4.428 0.544 17752 1570 1 3 . 1 1 61 61 ILE C C 158 175.938 175.938 175.563 0.375 17752 1571 1 3 . 1 1 61 61 ILE CA C 158 60.029 60.029 60.563 -0.534 17752 1572 1 3 . 1 1 61 61 ILE CB C 158 39.652 39.652 38.309 1.343 17752 1573 1 3 . 1 1 61 61 ILE H H 158 8.371 8.371 8.789 -0.418 17752 1574 1 3 . 1 1 62 62 HIS N N 159 125.647 125.647 127.429 -1.782 17752 1575 1 3 . 1 1 62 62 HIS HA H 159 4.750 4.750 4.932 -0.182 17752 1576 1 3 . 1 1 62 62 HIS C C 159 173.704 173.704 173.714 -0.010 17752 1577 1 3 . 1 1 62 62 HIS CA C 159 54.910 54.910 54.309 0.602 17752 1578 1 3 . 1 1 62 62 HIS CB C 159 34.940 34.940 31.867 3.073 17752 1579 1 3 . 1 1 62 62 HIS H H 159 9.326 9.326 9.433 -0.107 17752 1580 1 3 . 1 1 63 63 PHE N N 160 124.930 124.930 125.713 -0.783 17752 1581 1 3 . 1 1 63 63 PHE HA H 160 4.897 4.897 4.448 0.449 17752 1582 1 3 . 1 1 63 63 PHE C C 160 174.606 174.606 175.314 -0.708 17752 1583 1 3 . 1 1 63 63 PHE CA C 160 58.097 58.097 58.425 -0.328 17752 1584 1 3 . 1 1 63 63 PHE CB C 160 39.192 39.192 40.274 -1.082 17752 1585 1 3 . 1 1 63 63 PHE H H 160 9.207 9.207 9.074 0.133 17752 1586 1 3 . 1 1 64 64 ALA N N 161 130.696 130.696 127.714 2.982 17752 1587 1 3 . 1 1 64 64 ALA HA H 161 4.645 4.645 4.166 0.479 17752 1588 1 3 . 1 1 64 64 ALA C C 161 177.327 177.327 177.761 -0.434 17752 1589 1 3 . 1 1 64 64 ALA CA C 161 51.333 51.333 53.015 -1.682 17752 1590 1 3 . 1 1 64 64 ALA CB C 161 19.696 19.696 19.651 0.045 17752 1591 1 3 . 1 1 64 64 ALA H H 161 8.371 8.371 8.147 0.224 17752 1592 1 3 . 1 1 65 65 GLY N N 162 105.725 105.725 106.692 -0.967 17752 1593 1 3 . 1 1 65 65 GLY C C 162 173.920 173.920 174.524 -0.604 17752 1594 1 3 . 1 1 65 65 GLY CA C 162 47.245 47.245 46.174 1.071 17752 1595 1 3 . 1 1 65 65 GLY H H 162 6.059 6.059 8.301 -2.242 17752 1596 1 3 . 1 1 66 66 GLN N N 163 122.418 122.418 120.330 2.088 17752 1597 1 3 . 1 1 66 66 GLN HA H 163 5.120 5.120 4.460 0.660 17752 1598 1 3 . 1 1 66 66 GLN C C 163 176.832 176.832 173.810 3.022 17752 1599 1 3 . 1 1 66 66 GLN CA C 163 55.887 55.887 56.201 -0.314 17752 1600 1 3 . 1 1 66 66 GLN CB C 163 30.063 30.063 29.054 1.009 17752 1601 1 3 . 1 1 66 66 GLN H H 163 9.029 9.029 8.204 0.825 17752 1602 1 3 . 1 1 67 67 GLN N N 164 119.220 119.220 118.514 0.706 17752 1603 1 3 . 1 1 67 67 GLN HA H 164 4.373 4.373 4.663 -0.290 17752 1604 1 3 . 1 1 67 67 GLN C C 164 173.020 173.020 174.441 -1.421 17752 1605 1 3 . 1 1 67 67 GLN CA C 164 56.025 56.025 54.264 1.761 17752 1606 1 3 . 1 1 67 67 GLN CB C 164 30.868 30.868 31.106 -0.238 17752 1607 1 3 . 1 1 67 67 GLN H H 164 7.746 7.746 7.943 -0.197 17752 1608 1 3 . 1 1 68 68 THR N N 165 104.368 104.368 109.694 -5.326 17752 1609 1 3 . 1 1 68 68 THR HA H 165 3.264 3.264 4.087 -0.823 17752 1610 1 3 . 1 1 68 68 THR C C 165 171.726 171.726 172.290 -0.564 17752 1611 1 3 . 1 1 68 68 THR CA C 165 58.963 58.963 61.213 -2.250 17752 1612 1 3 . 1 1 68 68 THR CB C 165 66.777 66.777 68.400 -1.623 17752 1613 1 3 . 1 1 68 68 THR H H 165 7.716 7.716 8.372 -0.656 17752 1614 1 3 . 1 1 69 69 GLU N N 166 113.260 113.260 118.421 -5.161 17752 1615 1 3 . 1 1 69 69 GLU HA H 166 4.597 4.597 4.497 0.100 17752 1616 1 3 . 1 1 69 69 GLU C C 166 174.977 174.977 174.337 0.640 17752 1617 1 3 . 1 1 69 69 GLU CA C 166 53.742 53.742 54.822 -1.080 17752 1618 1 3 . 1 1 69 69 GLU CB C 166 33.177 33.177 32.946 0.231 17752 1619 1 3 . 1 1 69 69 GLU H H 166 6.562 6.562 7.299 -0.737 17752 1620 1 3 . 1 1 70 70 PHE N N 167 122.043 122.043 123.573 -1.530 17752 1621 1 3 . 1 1 70 70 PHE HA H 167 4.545 4.545 5.023 -0.478 17752 1622 1 3 . 1 1 70 70 PHE C C 167 172.620 172.620 173.961 -1.341 17752 1623 1 3 . 1 1 70 70 PHE CA C 167 58.957 58.957 56.408 2.549 17752 1624 1 3 . 1 1 70 70 PHE CB C 167 45.667 45.667 44.196 1.471 17752 1625 1 3 . 1 1 70 70 PHE H H 167 9.385 9.385 9.307 0.078 17752 1626 1 3 . 1 1 71 71 LYS N N 168 122.342 122.342 123.268 -0.926 17752 1627 1 3 . 1 1 71 71 LYS HA H 168 5.667 5.667 5.586 0.081 17752 1628 1 3 . 1 1 71 71 LYS C C 168 174.656 174.656 175.128 -0.472 17752 1629 1 3 . 1 1 71 71 LYS CA C 168 54.701 54.701 54.036 0.665 17752 1630 1 3 . 1 1 71 71 LYS CB C 168 35.338 35.338 35.517 -0.179 17752 1631 1 3 . 1 1 71 71 LYS H H 168 7.129 7.129 7.639 -0.510 17752 1632 1 3 . 1 1 72 72 ILE N N 169 122.191 122.191 122.004 0.187 17752 1633 1 3 . 1 1 72 72 ILE HA H 169 4.334 4.334 4.243 0.091 17752 1634 1 3 . 1 1 72 72 ILE C C 169 175.258 175.258 174.944 0.314 17752 1635 1 3 . 1 1 72 72 ILE CA C 169 59.091 59.091 58.798 0.293 17752 1636 1 3 . 1 1 72 72 ILE CB C 169 39.295 39.295 39.727 -0.432 17752 1637 1 3 . 1 1 72 72 ILE H H 169 8.978 8.978 8.748 0.230 17752 1638 1 3 . 1 1 73 73 LEU N N 170 126.298 126.298 126.093 0.205 17752 1639 1 3 . 1 1 73 73 LEU HA H 170 4.647 4.647 4.549 0.098 17752 1640 1 3 . 1 1 73 73 LEU C C 170 176.979 176.979 177.897 -0.918 17752 1641 1 3 . 1 1 73 73 LEU CA C 170 56.171 56.171 55.676 0.495 17752 1642 1 3 . 1 1 73 73 LEU CB C 170 43.187 43.187 42.715 0.472 17752 1643 1 3 . 1 1 73 73 LEU H H 170 8.647 8.647 8.598 0.049 17752 1644 1 3 . 1 1 74 74 SER N N 171 112.997 112.997 116.163 -3.166 17752 1645 1 3 . 1 1 74 74 SER HA H 171 4.792 4.792 4.532 0.260 17752 1646 1 3 . 1 1 74 74 SER C C 171 172.975 172.975 173.689 -0.714 17752 1647 1 3 . 1 1 74 74 SER CA C 171 57.259 57.259 58.489 -1.230 17752 1648 1 3 . 1 1 74 74 SER CB C 171 62.829 62.829 62.205 0.624 17752 1649 1 3 . 1 1 74 74 SER H H 171 7.438 7.438 8.093 -0.655 17752 1650 1 3 . 1 1 75 75 LEU N N 172 124.862 124.862 124.348 0.514 17752 1651 1 3 . 1 1 75 75 LEU HA H 172 4.454 4.454 4.603 -0.149 17752 1652 1 3 . 1 1 75 75 LEU C C 172 175.166 175.166 176.122 -0.956 17752 1653 1 3 . 1 1 75 75 LEU CA C 172 53.276 53.276 53.597 -0.321 17752 1654 1 3 . 1 1 75 75 LEU CB C 172 45.925 45.925 45.463 0.462 17752 1655 1 3 . 1 1 75 75 LEU H H 172 7.932 7.932 7.890 0.042 17752 1656 1 3 . 1 1 76 76 HIS N N 173 120.512 120.512 120.064 0.448 17752 1657 1 3 . 1 1 76 76 HIS HA H 173 5.027 5.027 4.989 0.038 17752 1658 1 3 . 1 1 76 76 HIS C C 173 173.227 173.227 173.027 0.200 17752 1659 1 3 . 1 1 76 76 HIS CA C 173 53.512 53.512 53.063 0.449 17752 1660 1 3 . 1 1 76 76 HIS CB C 173 30.896 30.896 33.292 -2.396 17752 1661 1 3 . 1 1 76 76 HIS H H 173 8.350 8.350 8.491 -0.141 17752 1662 1 3 . 1 1 77 77 PRO HA H 174 4.194 4.194 4.351 -0.157 17752 1663 1 3 . 1 1 77 77 PRO C C 174 178.280 178.280 177.615 0.665 17752 1664 1 3 . 1 1 77 77 PRO CA C 174 63.005 63.005 63.926 -0.921 17752 1665 1 3 . 1 1 77 77 PRO CB C 174 32.946 32.946 31.591 1.355 17752 1666 1 3 . 1 1 78 78 GLY N N 175 109.449 109.449 112.996 -3.547 17752 1667 1 3 . 1 1 78 78 GLY C C 175 173.983 173.983 173.836 0.147 17752 1668 1 3 . 1 1 78 78 GLY CA C 175 46.309 46.309 45.019 1.290 17752 1669 1 3 . 1 1 78 78 GLY H H 175 7.323 7.323 8.365 -1.042 17752 1670 1 3 . 1 1 79 79 GLN N N 176 116.806 116.806 119.368 -2.562 17752 1671 1 3 . 1 1 79 79 GLN HA H 176 4.564 4.564 4.459 0.105 17752 1672 1 3 . 1 1 79 79 GLN C C 176 174.210 174.210 174.533 -0.323 17752 1673 1 3 . 1 1 79 79 GLN CA C 176 54.321 54.321 54.140 0.181 17752 1674 1 3 . 1 1 79 79 GLN CB C 176 30.805 30.805 31.653 -0.848 17752 1675 1 3 . 1 1 79 79 GLN H H 176 7.122 7.122 7.668 -0.546 17752 1676 1 3 . 1 1 80 80 LYS N N 177 123.628 123.628 125.165 -1.537 17752 1677 1 3 . 1 1 80 80 LYS HA H 177 4.989 4.989 5.033 -0.044 17752 1678 1 3 . 1 1 80 80 LYS C C 177 175.461 175.461 175.189 0.272 17752 1679 1 3 . 1 1 80 80 LYS CA C 177 55.580 55.580 55.579 0.001 17752 1680 1 3 . 1 1 80 80 LYS CB C 177 33.369 33.369 34.315 -0.946 17752 1681 1 3 . 1 1 80 80 LYS H H 177 8.679 8.679 8.228 0.451 17752 1682 1 3 . 1 1 81 81 TYR N N 178 126.820 126.820 123.759 3.061 17752 1683 1 3 . 1 1 81 81 TYR HA H 178 5.084 5.084 4.923 0.161 17752 1684 1 3 . 1 1 81 81 TYR C C 178 174.883 174.883 174.722 0.161 17752 1685 1 3 . 1 1 81 81 TYR CA C 178 57.082 57.082 56.733 0.349 17752 1686 1 3 . 1 1 81 81 TYR CB C 178 41.952 41.952 42.041 -0.089 17752 1687 1 3 . 1 1 81 81 TYR H H 178 9.407 9.407 9.170 0.237 17752 1688 1 3 . 1 1 82 82 LEU N N 179 119.285 119.285 125.075 -5.790 17752 1689 1 3 . 1 1 82 82 LEU HA H 179 4.993 4.993 4.832 0.161 17752 1690 1 3 . 1 1 82 82 LEU C C 179 176.372 176.372 175.856 0.516 17752 1691 1 3 . 1 1 82 82 LEU CA C 179 54.686 54.686 54.478 0.208 17752 1692 1 3 . 1 1 82 82 LEU CB C 179 45.287 45.287 42.169 3.118 17752 1693 1 3 . 1 1 82 82 LEU H H 179 8.457 8.457 9.106 -0.649 17752 1694 1 3 . 1 1 83 83 VAL N N 180 119.136 119.136 119.713 -0.577 17752 1695 1 3 . 1 1 83 83 VAL HA H 180 5.167 5.167 5.100 0.067 17752 1696 1 3 . 1 1 83 83 VAL C C 180 175.007 175.007 174.726 0.281 17752 1697 1 3 . 1 1 83 83 VAL CA C 180 60.829 60.829 59.171 1.658 17752 1698 1 3 . 1 1 83 83 VAL CB C 180 35.132 35.132 34.084 1.048 17752 1699 1 3 . 1 1 83 83 VAL H H 180 8.442 8.442 9.197 -0.755 17752 1700 1 3 . 1 1 84 84 GLN N N 181 121.769 121.769 122.875 -1.106 17752 1701 1 3 . 1 1 84 84 GLN HA H 181 4.365 4.365 4.861 -0.496 17752 1702 1 3 . 1 1 84 84 GLN C C 181 172.935 172.935 173.924 -0.989 17752 1703 1 3 . 1 1 84 84 GLN CA C 181 55.052 55.052 54.531 0.521 17752 1704 1 3 . 1 1 84 84 GLN CB C 181 36.079 36.079 33.006 3.073 17752 1705 1 3 . 1 1 84 84 GLN H H 181 8.986 8.986 8.730 0.256 17752 1706 1 3 . 1 1 85 85 VAL N N 182 116.946 116.946 122.864 -5.918 17752 1707 1 3 . 1 1 85 85 VAL HA H 182 5.444 5.444 4.775 0.669 17752 1708 1 3 . 1 1 85 85 VAL C C 182 172.842 172.842 174.341 -1.499 17752 1709 1 3 . 1 1 85 85 VAL CA C 182 59.501 59.501 60.145 -0.644 17752 1710 1 3 . 1 1 85 85 VAL CB C 182 35.973 35.973 33.779 2.194 17752 1711 1 3 . 1 1 85 85 VAL H H 182 8.425 8.425 8.607 -0.182 17752 1712 1 3 . 1 1 86 86 ARG N N 183 122.701 122.701 125.593 -2.892 17752 1713 1 3 . 1 1 86 86 ARG HA H 183 4.586 4.586 4.288 0.298 17752 1714 1 3 . 1 1 86 86 ARG C C 183 173.613 173.613 172.985 0.628 17752 1715 1 3 . 1 1 86 86 ARG CA C 183 54.760 54.760 54.662 0.098 17752 1716 1 3 . 1 1 86 86 ARG CB C 183 33.484 33.484 33.195 0.289 17752 1717 1 3 . 1 1 86 86 ARG H H 183 8.853 8.853 8.541 0.312 17752 1718 1 3 . 1 1 87 87 CYS N N 184 113.995 113.995 121.359 -7.364 17752 1719 1 3 . 1 1 87 87 CYS HA H 184 6.281 6.281 4.784 1.497 17752 1720 1 3 . 1 1 87 87 CYS C C 184 172.060 172.060 173.650 -1.590 17752 1721 1 3 . 1 1 87 87 CYS CA C 184 54.763 54.763 56.571 -1.808 17752 1722 1 3 . 1 1 87 87 CYS CB C 184 34.453 34.453 30.914 3.539 17752 1723 1 3 . 1 1 87 87 CYS H H 184 8.869 8.869 8.423 0.446 17752 1724 1 3 . 1 1 88 88 LYS N N 185 119.231 119.231 126.995 -7.764 17752 1725 1 3 . 1 1 88 88 LYS HA H 185 4.650 4.650 4.920 -0.270 17752 1726 1 3 . 1 1 88 88 LYS C C 185 172.274 172.274 174.489 -2.215 17752 1727 1 3 . 1 1 88 88 LYS CA C 185 53.192 53.192 54.232 -1.040 17752 1728 1 3 . 1 1 88 88 LYS CB C 185 33.530 33.530 31.907 1.623 17752 1729 1 3 . 1 1 88 88 LYS H H 185 8.680 8.680 8.503 0.177 17752 1730 1 3 . 1 1 89 89 PRO HA H 186 4.874 4.874 4.569 0.305 17752 1731 1 3 . 1 1 89 89 PRO C C 186 177.163 177.163 177.707 -0.544 17752 1732 1 3 . 1 1 89 89 PRO CA C 186 60.867 60.867 62.248 -1.381 17752 1733 1 3 . 1 1 89 89 PRO CB C 186 31.041 31.041 32.795 -1.754 17752 1734 1 3 . 1 1 90 90 ASP N N 187 121.615 121.615 119.273 2.342 17752 1735 1 3 . 1 1 90 90 ASP HA H 187 4.571 4.571 4.432 0.139 17752 1736 1 3 . 1 1 90 90 ASP C C 187 176.587 176.587 176.324 0.263 17752 1737 1 3 . 1 1 90 90 ASP CA C 187 56.898 56.898 56.151 0.747 17752 1738 1 3 . 1 1 90 90 ASP CB C 187 40.161 40.161 40.580 -0.419 17752 1739 1 3 . 1 1 90 90 ASP H H 187 8.377 8.377 8.839 -0.462 17752 1740 1 3 . 1 1 91 91 HIS N N 188 115.767 115.767 115.698 0.069 17752 1741 1 3 . 1 1 91 91 HIS HA H 188 4.487 4.487 4.726 -0.239 17752 1742 1 3 . 1 1 91 91 HIS C C 188 174.877 174.877 174.806 0.071 17752 1743 1 3 . 1 1 91 91 HIS CA C 188 56.060 56.060 56.557 -0.497 17752 1744 1 3 . 1 1 91 91 HIS CB C 188 29.064 29.064 30.006 -0.942 17752 1745 1 3 . 1 1 91 91 HIS H H 188 8.020 8.020 8.455 -0.435 17752 1746 1 3 . 1 1 92 92 GLY N N 189 108.492 108.492 106.619 1.873 17752 1747 1 3 . 1 1 92 92 GLY C C 189 171.977 171.977 172.789 -0.812 17752 1748 1 3 . 1 1 92 92 GLY CA C 189 44.356 44.356 44.456 -0.100 17752 1749 1 3 . 1 1 92 92 GLY H H 189 7.648 7.648 7.570 0.078 17752 1750 1 3 . 1 1 93 93 TYR N N 190 120.823 120.823 120.079 0.744 17752 1751 1 3 . 1 1 93 93 TYR HA H 190 4.589 4.589 4.408 0.181 17752 1752 1 3 . 1 1 93 93 TYR C C 190 174.685 174.685 175.168 -0.483 17752 1753 1 3 . 1 1 93 93 TYR CA C 190 55.924 55.924 56.359 -0.435 17752 1754 1 3 . 1 1 93 93 TYR CB C 190 40.462 40.462 39.108 1.354 17752 1755 1 3 . 1 1 93 93 TYR H H 190 8.265 8.265 8.392 -0.127 17752 1756 1 3 . 1 1 94 94 TRP N N 191 117.501 117.501 124.024 -6.523 17752 1757 1 3 . 1 1 94 94 TRP HA H 191 4.399 4.399 4.619 -0.220 17752 1758 1 3 . 1 1 94 94 TRP C C 191 178.522 178.522 174.994 3.528 17752 1759 1 3 . 1 1 94 94 TRP CA C 191 57.620 57.620 56.247 1.373 17752 1760 1 3 . 1 1 94 94 TRP CB C 191 30.530 30.530 29.419 1.111 17752 1761 1 3 . 1 1 94 94 TRP H H 191 7.637 7.637 8.187 -0.550 17752 1762 1 3 . 1 1 95 95 SER N N 192 117.327 117.327 117.622 -0.295 17752 1763 1 3 . 1 1 95 95 SER HA H 192 4.314 4.314 4.450 -0.136 17752 1764 1 3 . 1 1 95 95 SER C C 192 173.924 173.924 173.438 0.486 17752 1765 1 3 . 1 1 95 95 SER CA C 192 57.840 57.840 57.614 0.226 17752 1766 1 3 . 1 1 95 95 SER CB C 192 67.312 67.312 63.854 3.458 17752 1767 1 3 . 1 1 95 95 SER H H 192 9.755 9.755 8.572 1.183 17752 1768 1 3 . 1 1 96 96 ALA N N 193 120.747 120.747 123.346 -2.599 17752 1769 1 3 . 1 1 96 96 ALA HA H 193 4.134 4.134 4.819 -0.685 17752 1770 1 3 . 1 1 96 96 ALA C C 193 178.311 178.311 174.538 3.773 17752 1771 1 3 . 1 1 96 96 ALA CA C 193 52.387 52.387 51.818 0.569 17752 1772 1 3 . 1 1 96 96 ALA CB C 193 18.821 18.821 20.105 -1.284 17752 1773 1 3 . 1 1 96 96 ALA H H 193 8.824 8.824 7.533 1.291 17752 1774 1 3 . 1 1 97 97 TRP N N 194 120.634 120.634 118.495 2.139 17752 1775 1 3 . 1 1 97 97 TRP HA H 194 4.314 4.314 4.663 -0.349 17752 1776 1 3 . 1 1 97 97 TRP C C 194 177.944 177.944 176.459 1.485 17752 1777 1 3 . 1 1 97 97 TRP CA C 194 57.825 57.825 56.931 0.894 17752 1778 1 3 . 1 1 97 97 TRP CB C 194 29.702 29.702 31.488 -1.786 17752 1779 1 3 . 1 1 97 97 TRP H H 194 8.118 8.118 8.382 -0.264 17752 1780 1 3 . 1 1 98 98 SER N N 195 118.649 118.649 113.641 5.008 17752 1781 1 3 . 1 1 98 98 SER HA H 195 4.372 4.372 4.586 -0.214 17752 1782 1 3 . 1 1 98 98 SER C C 195 170.132 170.132 172.589 -2.457 17752 1783 1 3 . 1 1 98 98 SER CA C 195 57.851 57.851 58.773 -0.922 17752 1784 1 3 . 1 1 98 98 SER CB C 195 62.213 62.213 62.834 -0.621 17752 1785 1 3 . 1 1 98 98 SER H H 195 9.327 9.327 8.516 0.811 17752 1786 1 3 . 1 1 99 99 PRO HA H 196 4.585 4.585 4.462 0.123 17752 1787 1 3 . 1 1 99 99 PRO C C 196 178.242 178.242 175.029 3.213 17752 1788 1 3 . 1 1 99 99 PRO CA C 196 63.403 63.403 62.649 0.754 17752 1789 1 3 . 1 1 99 99 PRO CB C 196 31.405 31.405 30.814 0.591 17752 1790 1 3 . 1 1 100 100 ALA N N 197 127.219 127.219 128.269 -1.050 17752 1791 1 3 . 1 1 100 100 ALA HA H 197 4.680 4.680 4.285 0.395 17752 1792 1 3 . 1 1 100 100 ALA C C 197 178.043 178.043 176.813 1.230 17752 1793 1 3 . 1 1 100 100 ALA CA C 197 52.309 52.309 50.929 1.380 17752 1794 1 3 . 1 1 100 100 ALA CB C 197 18.973 18.973 19.560 -0.587 17752 1795 1 3 . 1 1 100 100 ALA H H 197 9.001 9.001 7.897 1.104 17752 1796 1 3 . 1 1 101 101 THR N N 198 118.178 118.178 121.645 -3.467 17752 1797 1 3 . 1 1 101 101 THR HA H 198 4.598 4.598 4.546 0.052 17752 1798 1 3 . 1 1 101 101 THR C C 198 172.242 172.242 173.259 -1.017 17752 1799 1 3 . 1 1 101 101 THR CA C 198 61.440 61.440 61.746 -0.306 17752 1800 1 3 . 1 1 101 101 THR CB C 198 70.945 70.945 69.772 1.173 17752 1801 1 3 . 1 1 101 101 THR H H 198 8.617 8.617 8.698 -0.081 17752 1802 1 3 . 1 1 102 102 PHE N N 199 123.141 123.141 126.990 -3.849 17752 1803 1 3 . 1 1 102 102 PHE HA H 199 5.867 5.867 5.057 0.810 17752 1804 1 3 . 1 1 102 102 PHE C C 199 175.273 175.273 175.881 -0.608 17752 1805 1 3 . 1 1 102 102 PHE CA C 199 55.877 55.877 57.955 -2.078 17752 1806 1 3 . 1 1 102 102 PHE CB C 199 42.052 42.052 39.789 2.263 17752 1807 1 3 . 1 1 102 102 PHE H H 199 8.419 8.419 8.961 -0.542 17752 1808 1 3 . 1 1 103 103 ILE N N 200 118.251 118.251 124.956 -6.705 17752 1809 1 3 . 1 1 103 103 ILE HA H 200 4.674 4.674 4.601 0.073 17752 1810 1 3 . 1 1 103 103 ILE C C 200 171.732 171.732 174.377 -2.645 17752 1811 1 3 . 1 1 103 103 ILE CA C 200 58.046 58.046 59.120 -1.074 17752 1812 1 3 . 1 1 103 103 ILE CB C 200 41.631 41.631 42.511 -0.880 17752 1813 1 3 . 1 1 103 103 ILE H H 200 8.940 8.940 9.275 -0.335 17752 1814 1 3 . 1 1 104 104 GLN N N 201 127.961 127.961 127.458 0.503 17752 1815 1 3 . 1 1 104 104 GLN HA H 201 4.592 4.592 4.624 -0.032 17752 1816 1 3 . 1 1 104 104 GLN C C 201 174.363 174.363 175.487 -1.124 17752 1817 1 3 . 1 1 104 104 GLN CA C 201 54.484 54.484 54.618 -0.134 17752 1818 1 3 . 1 1 104 104 GLN CB C 201 29.320 29.320 29.710 -0.390 17752 1819 1 3 . 1 1 104 104 GLN H H 201 8.641 8.641 8.602 0.039 17752 1820 1 3 . 1 1 105 105 ILE N N 202 129.177 129.177 127.528 1.649 17752 1821 1 3 . 1 1 105 105 ILE HA H 202 4.406 4.406 4.428 -0.022 17752 1822 1 3 . 1 1 105 105 ILE C C 202 175.609 175.609 173.949 1.660 17752 1823 1 3 . 1 1 105 105 ILE CA C 202 56.023 56.023 57.192 -1.169 17752 1824 1 3 . 1 1 105 105 ILE CB C 202 35.689 35.689 37.722 -2.033 17752 1825 1 3 . 1 1 105 105 ILE H H 202 8.676 8.676 8.610 0.066 17752 1826 1 3 . 1 1 106 106 PRO HA H 203 4.578 4.578 4.622 -0.044 17752 1827 1 3 . 1 1 106 106 PRO CB C 203 33.030 33.030 32.896 0.134 17752 1828 1 3 . 1 1 107 107 SER N N 204 115.204 115.204 115.861 -0.657 17752 1829 1 3 . 1 1 107 107 SER HA H 204 4.108 4.108 4.273 -0.165 17752 1830 1 3 . 1 1 107 107 SER C C 204 173.757 173.757 175.439 -1.682 17752 1831 1 3 . 1 1 107 107 SER CA C 204 60.355 60.355 60.978 -0.623 17752 1832 1 3 . 1 1 107 107 SER CB C 204 63.094 63.094 63.044 0.050 17752 1833 1 3 . 1 1 107 107 SER H H 204 7.914 7.914 8.733 -0.819 17752 1834 1 3 . 1 1 108 108 ASP N N 205 118.737 118.737 120.142 -1.405 17752 1835 1 3 . 1 1 108 108 ASP HA H 205 4.659 4.659 4.624 0.035 17752 1836 1 3 . 1 1 108 108 ASP C C 205 175.704 175.704 176.195 -0.491 17752 1837 1 3 . 1 1 108 108 ASP CA C 205 53.229 53.229 54.643 -1.414 17752 1838 1 3 . 1 1 108 108 ASP CB C 205 40.152 40.152 39.800 0.352 17752 1839 1 3 . 1 1 108 108 ASP H H 205 8.244 8.244 8.428 -0.184 17752 1840 1 3 . 1 1 109 109 PHE N N 206 120.285 120.285 120.439 -0.154 17752 1841 1 3 . 1 1 109 109 PHE HA H 206 4.411 4.411 4.343 0.068 17752 1842 1 3 . 1 1 109 109 PHE C C 206 174.781 174.781 174.686 0.095 17752 1843 1 3 . 1 1 109 109 PHE CA C 206 58.706 58.706 60.205 -1.499 17752 1844 1 3 . 1 1 109 109 PHE CB C 206 40.075 40.075 40.212 -0.137 17752 1845 1 3 . 1 1 109 109 PHE H H 206 7.595 7.595 7.486 0.109 17752 1846 1 3 . 1 1 110 110 THR N N 207 115.253 115.253 113.846 1.407 17752 1847 1 3 . 1 1 110 110 THR HA H 207 4.294 4.294 4.562 -0.268 17752 1848 1 3 . 1 1 110 110 THR C C 207 173.714 173.714 174.399 -0.685 17752 1849 1 3 . 1 1 110 110 THR CA C 207 61.742 61.742 60.220 1.522 17752 1850 1 3 . 1 1 110 110 THR CB C 207 70.070 70.070 71.154 -1.084 17752 1851 1 3 . 1 1 110 110 THR H H 207 7.812 7.812 7.387 0.425 17752 1852 1 3 . 1 1 111 111 MET N N 208 122.575 122.575 123.327 -0.752 17752 1853 1 3 . 1 1 111 111 MET HA H 208 4.555 4.555 4.211 0.344 17752 1854 1 3 . 1 1 111 111 MET C C 208 175.656 175.656 176.359 -0.703 17752 1855 1 3 . 1 1 111 111 MET CA C 208 55.451 55.451 57.700 -2.249 17752 1856 1 3 . 1 1 111 111 MET CB C 208 33.175 33.175 32.407 0.768 17752 1857 1 3 . 1 1 111 111 MET H H 208 8.391 8.391 8.552 -0.161 17752 1858 1 3 . 1 1 112 112 ASN N N 209 120.351 120.351 116.188 4.163 17752 1859 1 3 . 1 1 112 112 ASN HA H 209 4.785 4.785 4.488 0.297 17752 1860 1 3 . 1 1 112 112 ASN C C 209 173.846 173.846 173.943 -0.097 17752 1861 1 3 . 1 1 112 112 ASN CA C 209 53.341 53.341 54.272 -0.931 17752 1862 1 3 . 1 1 112 112 ASN CB C 209 39.600 39.600 36.910 2.690 17752 1863 1 3 . 1 1 112 112 ASN H H 209 8.442 8.442 8.388 0.054 17752 1864 1 4 . 1 1 2 2 TYR HA H 99 4.624 4.624 4.931 -0.307 17752 1865 1 4 . 1 1 2 2 TYR C C 99 174.994 174.994 174.608 0.386 17752 1866 1 4 . 1 1 2 2 TYR CA C 99 57.524 57.524 56.981 0.543 17752 1867 1 4 . 1 1 2 2 TYR CB C 99 38.543 38.543 39.621 -1.078 17752 1868 1 4 . 1 1 3 3 ILE N N 100 124.242 124.242 126.930 -2.688 17752 1869 1 4 . 1 1 3 3 ILE HA H 100 4.058 4.058 4.090 -0.032 17752 1870 1 4 . 1 1 3 3 ILE C C 100 174.994 174.994 174.536 0.458 17752 1871 1 4 . 1 1 3 3 ILE CA C 100 60.621 60.621 61.250 -0.629 17752 1872 1 4 . 1 1 3 3 ILE CB C 100 38.685 38.685 37.902 0.783 17752 1873 1 4 . 1 1 3 3 ILE H H 100 8.034 8.034 8.324 -0.290 17752 1874 1 4 . 1 1 4 4 VAL N N 101 123.770 123.770 128.099 -4.329 17752 1875 1 4 . 1 1 4 4 VAL HA H 101 4.024 4.024 4.207 -0.183 17752 1876 1 4 . 1 1 4 4 VAL C C 101 174.457 174.457 174.021 0.436 17752 1877 1 4 . 1 1 4 4 VAL CA C 101 62.142 62.142 60.668 1.474 17752 1878 1 4 . 1 1 4 4 VAL CB C 101 32.961 32.961 35.400 -2.439 17752 1879 1 4 . 1 1 4 4 VAL H H 101 7.858 7.858 8.155 -0.297 17752 1880 1 4 . 1 1 5 5 GLN N N 102 124.937 124.937 126.959 -2.022 17752 1881 1 4 . 1 1 5 5 GLN HA H 102 4.859 4.859 4.665 0.194 17752 1882 1 4 . 1 1 5 5 GLN C C 102 173.189 173.189 173.675 -0.486 17752 1883 1 4 . 1 1 5 5 GLN CA C 102 52.458 52.458 52.108 0.350 17752 1884 1 4 . 1 1 5 5 GLN CB C 102 30.185 30.185 27.123 3.062 17752 1885 1 4 . 1 1 5 5 GLN H H 102 8.269 8.269 8.379 -0.110 17752 1886 1 4 . 1 1 6 6 PRO HA H 103 4.533 4.533 4.383 0.150 17752 1887 1 4 . 1 1 6 6 PRO C C 103 175.646 175.646 175.945 -0.299 17752 1888 1 4 . 1 1 6 6 PRO CA C 103 62.290 62.290 63.743 -1.453 17752 1889 1 4 . 1 1 6 6 PRO CB C 103 31.983 31.983 32.440 -0.457 17752 1890 1 4 . 1 1 7 7 ASP N N 104 120.340 120.340 115.217 5.123 17752 1891 1 4 . 1 1 7 7 ASP HA H 104 4.851 4.851 4.746 0.105 17752 1892 1 4 . 1 1 7 7 ASP C C 104 171.565 171.565 174.521 -2.956 17752 1893 1 4 . 1 1 7 7 ASP CA C 104 53.742 53.742 51.789 1.953 17752 1894 1 4 . 1 1 7 7 ASP CB C 104 40.258 40.258 40.326 -0.068 17752 1895 1 4 . 1 1 7 7 ASP H H 104 7.897 7.897 8.094 -0.197 17752 1896 1 4 . 1 1 9 9 PRO HA H 106 4.332 4.332 4.584 -0.252 17752 1897 1 4 . 1 1 9 9 PRO C C 106 174.091 174.091 176.561 -2.470 17752 1898 1 4 . 1 1 9 9 PRO CA C 106 62.569 62.569 62.306 0.263 17752 1899 1 4 . 1 1 9 9 PRO CB C 106 32.391 32.391 32.310 0.080 17752 1900 1 4 . 1 1 10 10 LEU N N 107 118.910 118.910 120.956 -2.046 17752 1901 1 4 . 1 1 10 10 LEU HA H 107 4.642 4.642 4.893 -0.251 17752 1902 1 4 . 1 1 10 10 LEU C C 107 175.964 175.964 176.123 -0.159 17752 1903 1 4 . 1 1 10 10 LEU CA C 107 53.919 53.919 52.642 1.277 17752 1904 1 4 . 1 1 10 10 LEU CB C 107 46.315 46.315 44.272 2.043 17752 1905 1 4 . 1 1 10 10 LEU H H 107 7.793 7.793 8.852 -1.059 17752 1906 1 4 . 1 1 11 11 GLU N N 108 113.307 113.307 117.334 -4.027 17752 1907 1 4 . 1 1 11 11 GLU HA H 108 3.805 3.805 3.925 -0.120 17752 1908 1 4 . 1 1 11 11 GLU C C 108 175.118 175.118 175.741 -0.623 17752 1909 1 4 . 1 1 11 11 GLU CA C 108 56.418 56.418 56.931 -0.513 17752 1910 1 4 . 1 1 11 11 GLU CB C 108 27.789 27.789 28.239 -0.451 17752 1911 1 4 . 1 1 11 11 GLU H H 108 8.539 8.539 8.801 -0.262 17752 1912 1 4 . 1 1 12 12 LEU N N 109 120.420 120.420 121.269 -0.849 17752 1913 1 4 . 1 1 12 12 LEU HA H 109 4.903 4.903 4.493 0.410 17752 1914 1 4 . 1 1 12 12 LEU C C 109 176.238 176.238 176.265 -0.027 17752 1915 1 4 . 1 1 12 12 LEU CA C 109 56.228 56.228 54.858 1.370 17752 1916 1 4 . 1 1 12 12 LEU CB C 109 42.021 42.021 42.258 -0.236 17752 1917 1 4 . 1 1 12 12 LEU H H 109 8.053 8.053 8.009 0.044 17752 1918 1 4 . 1 1 13 13 ALA N N 110 132.286 132.286 131.321 0.965 17752 1919 1 4 . 1 1 13 13 ALA HA H 110 4.833 4.833 4.843 -0.010 17752 1920 1 4 . 1 1 13 13 ALA C C 110 175.560 175.560 175.373 0.187 17752 1921 1 4 . 1 1 13 13 ALA CA C 110 51.152 51.152 50.744 0.408 17752 1922 1 4 . 1 1 13 13 ALA CB C 110 21.788 21.788 21.024 0.764 17752 1923 1 4 . 1 1 13 13 ALA H H 110 9.653 9.653 9.038 0.615 17752 1924 1 4 . 1 1 14 14 VAL N N 111 116.305 116.305 124.303 -7.998 17752 1925 1 4 . 1 1 14 14 VAL HA H 111 5.293 5.293 4.443 0.850 17752 1926 1 4 . 1 1 14 14 VAL C C 111 174.459 174.459 175.124 -0.665 17752 1927 1 4 . 1 1 14 14 VAL CA C 111 59.146 59.146 61.335 -2.189 17752 1928 1 4 . 1 1 14 14 VAL CB C 111 35.256 35.256 32.852 2.404 17752 1929 1 4 . 1 1 14 14 VAL H H 111 8.477 8.477 8.646 -0.169 17752 1930 1 4 . 1 1 15 15 GLU N N 112 122.235 122.235 129.650 -7.415 17752 1931 1 4 . 1 1 15 15 GLU HA H 112 4.659 4.659 4.722 -0.063 17752 1932 1 4 . 1 1 15 15 GLU C C 112 174.581 174.581 174.208 0.373 17752 1933 1 4 . 1 1 15 15 GLU CA C 112 55.224 55.224 54.583 0.641 17752 1934 1 4 . 1 1 15 15 GLU CB C 112 34.744 34.744 33.290 1.454 17752 1935 1 4 . 1 1 15 15 GLU H H 112 8.947 8.947 8.620 0.327 17752 1936 1 4 . 1 1 16 16 VAL N N 113 124.568 124.568 126.706 -2.138 17752 1937 1 4 . 1 1 16 16 VAL HA H 113 4.441 4.441 4.094 0.347 17752 1938 1 4 . 1 1 16 16 VAL C C 113 175.480 175.480 175.234 0.246 17752 1939 1 4 . 1 1 16 16 VAL CA C 113 62.281 62.281 62.240 0.041 17752 1940 1 4 . 1 1 16 16 VAL CB C 113 31.565 31.565 32.627 -1.062 17752 1941 1 4 . 1 1 16 16 VAL H H 113 9.044 9.044 8.738 0.306 17752 1942 1 4 . 1 1 17 17 LYS N N 114 128.676 128.676 129.849 -1.173 17752 1943 1 4 . 1 1 17 17 LYS HA H 114 4.403 4.403 4.305 0.098 17752 1944 1 4 . 1 1 17 17 LYS C C 114 174.547 174.547 175.009 -0.462 17752 1945 1 4 . 1 1 17 17 LYS CA C 114 53.518 53.518 54.559 -1.041 17752 1946 1 4 . 1 1 17 17 LYS CB C 114 32.995 32.995 32.261 0.734 17752 1947 1 4 . 1 1 17 17 LYS H H 114 8.788 8.788 8.698 0.090 17752 1948 1 4 . 1 1 18 18 GLN N N 115 119.854 119.854 123.787 -3.933 17752 1949 1 4 . 1 1 18 18 GLN HA H 115 4.691 4.691 4.600 0.091 17752 1950 1 4 . 1 1 18 18 GLN C C 115 172.587 172.587 173.831 -1.244 17752 1951 1 4 . 1 1 18 18 GLN CA C 115 52.787 52.787 53.549 -0.762 17752 1952 1 4 . 1 1 18 18 GLN CB C 115 30.109 30.109 29.866 0.243 17752 1953 1 4 . 1 1 18 18 GLN H H 115 8.537 8.537 8.585 -0.048 17752 1954 1 4 . 1 1 19 19 PRO HA H 116 4.526 4.526 4.490 0.036 17752 1955 1 4 . 1 1 19 19 PRO C C 116 176.958 176.958 176.512 0.446 17752 1956 1 4 . 1 1 19 19 PRO CA C 116 62.106 62.106 62.312 -0.206 17752 1957 1 4 . 1 1 19 19 PRO CB C 116 32.375 32.375 32.648 -0.273 17752 1958 1 4 . 1 1 20 20 GLU N N 117 119.774 119.774 119.500 0.274 17752 1959 1 4 . 1 1 20 20 GLU HA H 117 4.079 4.079 4.133 -0.054 17752 1960 1 4 . 1 1 20 20 GLU C C 117 176.961 176.961 176.784 0.177 17752 1961 1 4 . 1 1 20 20 GLU CA C 117 58.256 58.256 58.109 0.147 17752 1962 1 4 . 1 1 20 20 GLU CB C 117 29.653 29.653 29.793 -0.140 17752 1963 1 4 . 1 1 20 20 GLU H H 117 8.806 8.806 8.545 0.261 17752 1964 1 4 . 1 1 21 21 ASP N N 118 116.513 116.513 119.593 -3.080 17752 1965 1 4 . 1 1 21 21 ASP HA H 118 4.482 4.482 4.577 -0.095 17752 1966 1 4 . 1 1 21 21 ASP C C 118 175.271 175.271 176.256 -0.985 17752 1967 1 4 . 1 1 21 21 ASP CA C 118 54.231 54.231 54.027 0.204 17752 1968 1 4 . 1 1 21 21 ASP CB C 118 40.460 40.460 41.122 -0.662 17752 1969 1 4 . 1 1 21 21 ASP H H 118 8.449 8.449 7.926 0.523 17752 1970 1 4 . 1 1 22 22 ARG N N 119 115.342 115.342 121.632 -6.290 17752 1971 1 4 . 1 1 22 22 ARG HA H 119 4.491 4.491 4.282 0.209 17752 1972 1 4 . 1 1 22 22 ARG C C 119 174.745 174.745 175.731 -0.986 17752 1973 1 4 . 1 1 22 22 ARG CA C 119 54.806 54.806 56.094 -1.288 17752 1974 1 4 . 1 1 22 22 ARG CB C 119 32.004 32.004 30.916 1.088 17752 1975 1 4 . 1 1 22 22 ARG H H 119 7.448 7.448 7.875 -0.427 17752 1976 1 4 . 1 1 23 23 LYS N N 120 119.981 119.981 123.015 -3.034 17752 1977 1 4 . 1 1 23 23 LYS HA H 120 4.489 4.489 4.395 0.094 17752 1978 1 4 . 1 1 23 23 LYS C C 120 173.641 173.641 175.272 -1.631 17752 1979 1 4 . 1 1 23 23 LYS CA C 120 54.621 54.621 54.141 0.480 17752 1980 1 4 . 1 1 23 23 LYS CB C 120 31.611 31.611 31.617 -0.006 17752 1981 1 4 . 1 1 23 23 LYS H H 120 7.982 7.982 8.222 -0.240 17752 1982 1 4 . 1 1 24 24 PRO HA H 121 4.813 4.813 4.483 0.330 17752 1983 1 4 . 1 1 24 24 PRO C C 121 174.901 174.901 175.527 -0.626 17752 1984 1 4 . 1 1 24 24 PRO CA C 121 62.720 62.720 62.939 -0.219 17752 1985 1 4 . 1 1 24 24 PRO CB C 121 33.066 33.066 31.799 1.267 17752 1986 1 4 . 1 1 25 25 TYR N N 122 111.573 111.573 116.598 -5.025 17752 1987 1 4 . 1 1 25 25 TYR HA H 122 5.134 5.134 5.157 -0.023 17752 1988 1 4 . 1 1 25 25 TYR C C 122 172.672 172.672 172.964 -0.292 17752 1989 1 4 . 1 1 25 25 TYR CA C 122 55.650 55.650 56.268 -0.618 17752 1990 1 4 . 1 1 25 25 TYR CB C 122 40.394 40.394 40.295 0.099 17752 1991 1 4 . 1 1 25 25 TYR H H 122 8.287 8.287 8.679 -0.392 17752 1992 1 4 . 1 1 26 26 LEU N N 123 120.288 120.288 121.251 -0.963 17752 1993 1 4 . 1 1 26 26 LEU HA H 123 4.907 4.907 4.648 0.259 17752 1994 1 4 . 1 1 26 26 LEU C C 123 174.277 174.277 175.261 -0.984 17752 1995 1 4 . 1 1 26 26 LEU CA C 123 53.789 53.789 54.381 -0.592 17752 1996 1 4 . 1 1 26 26 LEU CB C 123 44.717 44.717 44.597 0.120 17752 1997 1 4 . 1 1 26 26 LEU H H 123 9.073 9.073 8.648 0.425 17752 1998 1 4 . 1 1 27 27 TRP N N 124 130.187 130.187 131.602 -1.415 17752 1999 1 4 . 1 1 27 27 TRP HA H 124 5.555 5.555 5.465 0.090 17752 2000 1 4 . 1 1 27 27 TRP C C 124 173.810 173.810 174.398 -0.588 17752 2001 1 4 . 1 1 27 27 TRP CA C 124 55.161 55.161 54.634 0.527 17752 2002 1 4 . 1 1 27 27 TRP CB C 124 31.383 31.383 30.765 0.619 17752 2003 1 4 . 1 1 27 27 TRP H H 124 9.628 9.628 9.331 0.297 17752 2004 1 4 . 1 1 28 28 ILE N N 125 128.941 128.941 129.778 -0.837 17752 2005 1 4 . 1 1 28 28 ILE HA H 125 4.814 4.814 4.505 0.309 17752 2006 1 4 . 1 1 28 28 ILE C C 125 173.004 173.004 173.935 -0.931 17752 2007 1 4 . 1 1 28 28 ILE CA C 125 60.152 60.152 60.396 -0.244 17752 2008 1 4 . 1 1 28 28 ILE CB C 125 41.018 41.018 38.694 2.324 17752 2009 1 4 . 1 1 28 28 ILE H H 125 8.867 8.867 9.253 -0.386 17752 2010 1 4 . 1 1 29 29 LYS N N 126 124.705 124.705 127.213 -2.508 17752 2011 1 4 . 1 1 29 29 LYS HA H 126 4.553 4.553 4.538 0.015 17752 2012 1 4 . 1 1 29 29 LYS C C 126 173.764 173.764 174.384 -0.620 17752 2013 1 4 . 1 1 29 29 LYS CA C 126 55.137 55.137 53.959 1.179 17752 2014 1 4 . 1 1 29 29 LYS CB C 126 35.952 35.952 36.067 -0.115 17752 2015 1 4 . 1 1 29 29 LYS H H 126 8.789 8.789 8.512 0.277 17752 2016 1 4 . 1 1 30 30 TRP N N 127 118.127 118.127 123.208 -5.081 17752 2017 1 4 . 1 1 30 30 TRP HA H 127 5.010 5.010 5.364 -0.354 17752 2018 1 4 . 1 1 30 30 TRP C C 127 173.354 173.354 174.762 -1.408 17752 2019 1 4 . 1 1 30 30 TRP CA C 127 57.079 57.079 54.045 3.034 17752 2020 1 4 . 1 1 30 30 TRP CB C 127 29.480 29.480 31.401 -1.921 17752 2021 1 4 . 1 1 30 30 TRP H H 127 7.408 7.408 7.342 0.066 17752 2022 1 4 . 1 1 31 31 SER N N 128 113.791 113.791 116.024 -2.233 17752 2023 1 4 . 1 1 31 31 SER HA H 128 5.137 5.137 5.005 0.132 17752 2024 1 4 . 1 1 31 31 SER C C 128 171.258 171.258 172.359 -1.101 17752 2025 1 4 . 1 1 31 31 SER CA C 128 55.299 55.299 54.401 0.897 17752 2026 1 4 . 1 1 31 31 SER CB C 128 63.849 63.849 63.968 -0.119 17752 2027 1 4 . 1 1 31 31 SER H H 128 8.972 8.972 8.914 0.058 17752 2028 1 4 . 1 1 32 32 PRO HA H 129 4.953 4.953 4.827 0.126 17752 2029 1 4 . 1 1 33 33 PRO HA H 130 4.515 4.515 4.430 0.085 17752 2030 1 4 . 1 1 33 33 PRO C C 130 176.322 176.322 176.691 -0.369 17752 2031 1 4 . 1 1 33 33 PRO CA C 130 62.668 62.668 63.177 -0.509 17752 2032 1 4 . 1 1 33 33 PRO CB C 130 32.077 32.077 32.380 -0.303 17752 2033 1 4 . 1 1 34 34 THR N N 131 113.844 113.844 114.011 -0.167 17752 2034 1 4 . 1 1 34 34 THR HA H 131 4.147 4.147 4.085 0.062 17752 2035 1 4 . 1 1 34 34 THR C C 131 174.576 174.576 174.815 -0.239 17752 2036 1 4 . 1 1 34 34 THR CA C 131 62.833 62.833 64.525 -1.692 17752 2037 1 4 . 1 1 34 34 THR CB C 131 69.346 69.346 69.049 0.297 17752 2038 1 4 . 1 1 34 34 THR H H 131 8.128 8.128 8.213 -0.085 17752 2039 1 4 . 1 1 35 35 LEU N N 132 125.831 125.831 119.962 5.869 17752 2040 1 4 . 1 1 35 35 LEU HA H 132 4.432 4.432 4.543 -0.111 17752 2041 1 4 . 1 1 35 35 LEU C C 132 176.794 176.794 175.684 1.110 17752 2042 1 4 . 1 1 35 35 LEU CA C 132 54.799 54.799 55.014 -0.214 17752 2043 1 4 . 1 1 35 35 LEU CB C 132 42.344 42.344 42.578 -0.234 17752 2044 1 4 . 1 1 35 35 LEU H H 132 8.336 8.336 7.632 0.704 17752 2045 1 4 . 1 1 36 36 ILE N N 133 121.733 121.733 120.913 0.820 17752 2046 1 4 . 1 1 36 36 ILE HA H 133 4.070 4.070 4.218 -0.148 17752 2047 1 4 . 1 1 36 36 ILE C C 133 175.690 175.690 175.657 0.033 17752 2048 1 4 . 1 1 36 36 ILE CA C 133 61.695 61.695 60.752 0.943 17752 2049 1 4 . 1 1 36 36 ILE CB C 133 38.553 38.553 39.962 -1.409 17752 2050 1 4 . 1 1 36 36 ILE H H 133 8.054 8.054 8.449 -0.395 17752 2051 1 4 . 1 1 37 37 ASP N N 134 121.852 121.852 117.805 4.047 17752 2052 1 4 . 1 1 37 37 ASP HA H 134 4.573 4.573 4.431 0.142 17752 2053 1 4 . 1 1 37 37 ASP C C 134 176.011 176.011 175.170 0.841 17752 2054 1 4 . 1 1 37 37 ASP CA C 134 54.346 54.346 55.104 -0.758 17752 2055 1 4 . 1 1 37 37 ASP CB C 134 41.096 41.096 40.829 0.267 17752 2056 1 4 . 1 1 37 37 ASP H H 134 8.254 8.254 8.440 -0.186 17752 2057 1 4 . 1 1 38 38 LEU N N 135 122.044 122.044 120.854 1.190 17752 2058 1 4 . 1 1 38 38 LEU HA H 135 4.225 4.225 4.454 -0.229 17752 2059 1 4 . 1 1 38 38 LEU C C 135 177.779 177.779 176.487 1.292 17752 2060 1 4 . 1 1 38 38 LEU CA C 135 55.748 55.748 54.525 1.223 17752 2061 1 4 . 1 1 38 38 LEU CB C 135 42.220 42.220 42.627 -0.407 17752 2062 1 4 . 1 1 38 38 LEU H H 135 8.052 8.052 7.742 0.310 17752 2063 1 4 . 1 1 39 39 LYS N N 136 119.589 119.589 123.463 -3.874 17752 2064 1 4 . 1 1 39 39 LYS HA H 136 4.225 4.225 4.702 -0.477 17752 2065 1 4 . 1 1 39 39 LYS C C 136 177.024 177.024 174.929 2.095 17752 2066 1 4 . 1 1 39 39 LYS CA C 136 57.161 57.161 54.594 2.567 17752 2067 1 4 . 1 1 39 39 LYS CB C 136 32.220 32.220 34.952 -2.732 17752 2068 1 4 . 1 1 39 39 LYS H H 136 8.295 8.295 8.364 -0.069 17752 2069 1 4 . 1 1 40 40 THR N N 137 112.003 112.003 116.742 -4.739 17752 2070 1 4 . 1 1 40 40 THR HA H 137 4.189 4.189 4.232 -0.043 17752 2071 1 4 . 1 1 40 40 THR C C 137 174.914 174.914 174.820 0.094 17752 2072 1 4 . 1 1 40 40 THR CA C 137 62.152 62.152 63.585 -1.433 17752 2073 1 4 . 1 1 40 40 THR CB C 137 69.513 69.513 68.390 1.123 17752 2074 1 4 . 1 1 40 40 THR H H 137 7.787 7.787 8.414 -0.627 17752 2075 1 4 . 1 1 41 41 GLY N N 138 109.975 109.975 115.250 -5.275 17752 2076 1 4 . 1 1 41 41 GLY C C 138 173.470 173.470 174.220 -0.750 17752 2077 1 4 . 1 1 41 41 GLY CA C 138 45.370 45.370 45.253 0.117 17752 2078 1 4 . 1 1 41 41 GLY H H 138 8.017 8.017 8.571 -0.554 17752 2079 1 4 . 1 1 42 42 TRP N N 139 119.581 119.581 123.091 -3.510 17752 2080 1 4 . 1 1 42 42 TRP HA H 139 4.634 4.634 4.953 -0.319 17752 2081 1 4 . 1 1 42 42 TRP C C 139 175.349 175.349 175.237 0.112 17752 2082 1 4 . 1 1 42 42 TRP CA C 139 56.762 56.762 57.692 -0.930 17752 2083 1 4 . 1 1 42 42 TRP CB C 139 29.199 29.199 31.940 -2.741 17752 2084 1 4 . 1 1 42 42 TRP H H 139 7.787 7.787 8.059 -0.272 17752 2085 1 4 . 1 1 43 43 PHE N N 140 119.509 119.509 118.359 1.150 17752 2086 1 4 . 1 1 43 43 PHE HA H 140 4.675 4.675 4.748 -0.073 17752 2087 1 4 . 1 1 43 43 PHE C C 140 174.658 174.658 173.416 1.242 17752 2088 1 4 . 1 1 43 43 PHE CA C 140 57.106 57.106 58.138 -1.032 17752 2089 1 4 . 1 1 43 43 PHE CB C 140 40.150 40.150 40.407 -0.257 17752 2090 1 4 . 1 1 43 43 PHE H H 140 7.871 7.871 7.909 -0.038 17752 2091 1 4 . 1 1 44 44 THR N N 141 116.290 116.290 120.591 -4.301 17752 2092 1 4 . 1 1 44 44 THR HA H 141 4.323 4.323 4.319 0.004 17752 2093 1 4 . 1 1 44 44 THR C C 141 173.009 173.009 172.439 0.570 17752 2094 1 4 . 1 1 44 44 THR CA C 141 61.830 61.830 59.161 2.669 17752 2095 1 4 . 1 1 44 44 THR CB C 141 70.489 70.489 70.321 0.168 17752 2096 1 4 . 1 1 44 44 THR H H 141 8.380 8.380 7.908 0.472 17752 2097 1 4 . 1 1 45 45 LEU N N 142 124.270 124.270 125.609 -1.339 17752 2098 1 4 . 1 1 45 45 LEU HA H 142 4.519 4.519 4.030 0.489 17752 2099 1 4 . 1 1 45 45 LEU C C 142 174.651 174.651 175.077 -0.426 17752 2100 1 4 . 1 1 45 45 LEU CA C 142 53.847 53.847 54.006 -0.159 17752 2101 1 4 . 1 1 45 45 LEU CB C 142 44.418 44.418 42.120 2.297 17752 2102 1 4 . 1 1 45 45 LEU H H 142 7.972 7.972 8.423 -0.451 17752 2103 1 4 . 1 1 46 46 LEU N N 143 120.086 120.086 127.149 -7.063 17752 2104 1 4 . 1 1 46 46 LEU HA H 143 4.666 4.666 4.294 0.372 17752 2105 1 4 . 1 1 46 46 LEU C C 143 176.553 176.553 175.537 1.016 17752 2106 1 4 . 1 1 46 46 LEU CA C 143 52.236 52.236 53.389 -1.153 17752 2107 1 4 . 1 1 46 46 LEU CB C 143 44.725 44.725 41.882 2.844 17752 2108 1 4 . 1 1 46 46 LEU H H 143 8.330 8.330 7.961 0.369 17752 2109 1 4 . 1 1 47 47 TYR N N 144 115.644 115.644 121.985 -6.341 17752 2110 1 4 . 1 1 47 47 TYR HA H 144 5.650 5.650 4.619 1.031 17752 2111 1 4 . 1 1 47 47 TYR C C 144 175.013 175.013 174.690 0.323 17752 2112 1 4 . 1 1 47 47 TYR CA C 144 57.301 57.301 56.546 0.755 17752 2113 1 4 . 1 1 47 47 TYR CB C 144 43.200 43.200 40.688 2.512 17752 2114 1 4 . 1 1 47 47 TYR H H 144 8.674 8.674 8.449 0.225 17752 2115 1 4 . 1 1 48 48 GLU N N 145 120.669 120.669 121.452 -0.783 17752 2116 1 4 . 1 1 48 48 GLU HA H 145 4.835 4.835 4.828 0.007 17752 2117 1 4 . 1 1 48 48 GLU C C 145 173.623 173.623 174.656 -1.033 17752 2118 1 4 . 1 1 48 48 GLU CA C 145 54.810 54.810 54.448 0.362 17752 2119 1 4 . 1 1 48 48 GLU CB C 145 35.923 35.923 33.735 2.188 17752 2120 1 4 . 1 1 48 48 GLU H H 145 8.186 8.186 8.896 -0.710 17752 2121 1 4 . 1 1 49 49 ILE N N 146 118.773 118.773 125.909 -7.136 17752 2122 1 4 . 1 1 49 49 ILE HA H 146 5.069 5.069 4.891 0.178 17752 2123 1 4 . 1 1 49 49 ILE C C 146 174.840 174.840 174.185 0.655 17752 2124 1 4 . 1 1 49 49 ILE CA C 146 58.375 58.375 59.928 -1.553 17752 2125 1 4 . 1 1 49 49 ILE CB C 146 42.256 42.256 40.143 2.113 17752 2126 1 4 . 1 1 49 49 ILE H H 146 8.707 8.707 9.092 -0.385 17752 2127 1 4 . 1 1 50 50 ARG N N 147 120.594 120.594 128.165 -7.571 17752 2128 1 4 . 1 1 50 50 ARG HA H 147 5.882 5.882 4.917 0.965 17752 2129 1 4 . 1 1 50 50 ARG C C 147 172.997 172.997 174.366 -1.369 17752 2130 1 4 . 1 1 50 50 ARG CA C 147 53.454 53.454 54.405 -0.951 17752 2131 1 4 . 1 1 50 50 ARG CB C 147 34.273 34.273 30.747 3.526 17752 2132 1 4 . 1 1 50 50 ARG H H 147 8.922 8.922 8.751 0.171 17752 2133 1 4 . 1 1 51 51 LEU N N 148 119.958 119.958 122.739 -2.781 17752 2134 1 4 . 1 1 51 51 LEU HA H 148 6.200 6.200 5.806 0.394 17752 2135 1 4 . 1 1 51 51 LEU C C 148 175.544 175.544 174.684 0.860 17752 2136 1 4 . 1 1 51 51 LEU CA C 148 54.601 54.601 53.668 0.933 17752 2137 1 4 . 1 1 51 51 LEU CB C 148 46.908 46.908 46.519 0.389 17752 2138 1 4 . 1 1 51 51 LEU H H 148 9.242 9.242 9.245 -0.003 17752 2139 1 4 . 1 1 52 52 LYS N N 149 116.000 116.000 113.862 2.138 17752 2140 1 4 . 1 1 52 52 LYS HA H 149 4.945 4.945 4.749 0.196 17752 2141 1 4 . 1 1 52 52 LYS C C 149 172.459 172.459 173.259 -0.800 17752 2142 1 4 . 1 1 52 52 LYS CA C 149 54.828 54.828 54.804 0.024 17752 2143 1 4 . 1 1 52 52 LYS CB C 149 32.809 32.809 32.681 0.128 17752 2144 1 4 . 1 1 52 52 LYS H H 149 8.399 8.399 8.316 0.083 17752 2145 1 4 . 1 1 53 53 PRO HA H 150 4.103 4.103 4.235 -0.132 17752 2146 1 4 . 1 1 53 53 PRO C C 150 178.630 178.630 178.230 0.400 17752 2147 1 4 . 1 1 53 53 PRO CA C 150 61.651 61.651 61.575 0.076 17752 2148 1 4 . 1 1 53 53 PRO CB C 150 31.521 31.521 32.195 -0.674 17752 2149 1 4 . 1 1 54 54 GLU N N 151 125.100 125.100 120.108 4.992 17752 2150 1 4 . 1 1 54 54 GLU HA H 151 3.580 3.580 3.831 -0.251 17752 2151 1 4 . 1 1 54 54 GLU C C 151 176.912 176.912 176.933 -0.021 17752 2152 1 4 . 1 1 54 54 GLU CA C 151 60.163 60.163 58.756 1.407 17752 2153 1 4 . 1 1 54 54 GLU CB C 151 30.024 30.024 28.840 1.184 17752 2154 1 4 . 1 1 54 54 GLU H H 151 8.865 8.865 8.408 0.457 17752 2155 1 4 . 1 1 55 55 LYS N N 152 113.857 113.857 116.715 -2.858 17752 2156 1 4 . 1 1 55 55 LYS HA H 152 4.150 4.150 4.313 -0.163 17752 2157 1 4 . 1 1 55 55 LYS C C 152 176.530 176.530 175.463 1.067 17752 2158 1 4 . 1 1 55 55 LYS CA C 152 56.088 56.088 55.320 0.768 17752 2159 1 4 . 1 1 55 55 LYS CB C 152 31.681 31.681 31.717 -0.036 17752 2160 1 4 . 1 1 55 55 LYS H H 152 8.356 8.356 8.031 0.325 17752 2161 1 4 . 1 1 56 56 ALA N N 153 121.720 121.720 122.406 -0.686 17752 2162 1 4 . 1 1 56 56 ALA HA H 153 4.252 4.252 4.527 -0.275 17752 2163 1 4 . 1 1 56 56 ALA C C 153 177.098 177.098 177.017 0.081 17752 2164 1 4 . 1 1 56 56 ALA CA C 153 51.651 51.651 50.851 0.800 17752 2165 1 4 . 1 1 56 56 ALA CB C 153 20.289 20.289 19.907 0.382 17752 2166 1 4 . 1 1 56 56 ALA H H 153 7.359 7.359 7.598 -0.239 17752 2167 1 4 . 1 1 57 57 ALA HA H 154 4.171 4.171 4.000 0.171 17752 2168 1 4 . 1 1 57 57 ALA C C 154 177.719 177.719 178.295 -0.576 17752 2169 1 4 . 1 1 57 57 ALA CA C 154 53.285 53.285 53.805 -0.520 17752 2170 1 4 . 1 1 57 57 ALA CB C 154 19.767 19.767 18.833 0.934 17752 2171 1 4 . 1 1 58 58 GLU N N 155 115.658 115.658 116.732 -1.074 17752 2172 1 4 . 1 1 58 58 GLU HA H 155 4.556 4.556 4.473 0.083 17752 2173 1 4 . 1 1 58 58 GLU C C 155 174.857 174.857 175.262 -0.405 17752 2174 1 4 . 1 1 58 58 GLU CA C 155 54.771 54.771 54.895 -0.124 17752 2175 1 4 . 1 1 58 58 GLU CB C 155 32.247 32.247 31.311 0.936 17752 2176 1 4 . 1 1 58 58 GLU H H 155 7.527 7.527 7.741 -0.214 17752 2177 1 4 . 1 1 59 59 TRP N N 156 121.007 121.007 120.688 0.319 17752 2178 1 4 . 1 1 59 59 TRP HA H 156 4.334 4.334 4.669 -0.335 17752 2179 1 4 . 1 1 59 59 TRP C C 156 176.227 176.227 175.380 0.847 17752 2180 1 4 . 1 1 59 59 TRP CA C 156 56.986 56.986 56.611 0.375 17752 2181 1 4 . 1 1 59 59 TRP CB C 156 31.064 31.064 31.057 0.007 17752 2182 1 4 . 1 1 59 59 TRP H H 156 8.499 8.499 8.519 -0.020 17752 2183 1 4 . 1 1 60 60 GLU N N 157 123.107 123.107 124.858 -1.751 17752 2184 1 4 . 1 1 60 60 GLU HA H 157 4.689 4.689 4.604 0.085 17752 2185 1 4 . 1 1 60 60 GLU C C 157 174.904 174.904 175.546 -0.642 17752 2186 1 4 . 1 1 60 60 GLU CA C 157 55.797 55.797 55.285 0.512 17752 2187 1 4 . 1 1 60 60 GLU CB C 157 31.671 31.671 31.442 0.229 17752 2188 1 4 . 1 1 60 60 GLU H H 157 8.930 8.930 8.739 0.191 17752 2189 1 4 . 1 1 61 61 ILE N N 158 124.822 124.822 128.257 -3.435 17752 2190 1 4 . 1 1 61 61 ILE HA H 158 4.972 4.972 4.313 0.659 17752 2191 1 4 . 1 1 61 61 ILE C C 158 175.938 175.938 175.758 0.180 17752 2192 1 4 . 1 1 61 61 ILE CA C 158 60.029 60.029 60.687 -0.658 17752 2193 1 4 . 1 1 61 61 ILE CB C 158 39.652 39.652 38.668 0.984 17752 2194 1 4 . 1 1 61 61 ILE H H 158 8.371 8.371 8.651 -0.280 17752 2195 1 4 . 1 1 62 62 HIS N N 159 125.647 125.647 125.971 -0.324 17752 2196 1 4 . 1 1 62 62 HIS HA H 159 4.750 4.750 4.965 -0.215 17752 2197 1 4 . 1 1 62 62 HIS C C 159 173.704 173.704 173.660 0.044 17752 2198 1 4 . 1 1 62 62 HIS CA C 159 54.910 54.910 54.346 0.564 17752 2199 1 4 . 1 1 62 62 HIS CB C 159 34.940 34.940 33.554 1.386 17752 2200 1 4 . 1 1 62 62 HIS H H 159 9.326 9.326 9.337 -0.011 17752 2201 1 4 . 1 1 63 63 PHE N N 160 124.930 124.930 121.904 3.026 17752 2202 1 4 . 1 1 63 63 PHE HA H 160 4.897 4.897 4.641 0.256 17752 2203 1 4 . 1 1 63 63 PHE C C 160 174.606 174.606 175.344 -0.738 17752 2204 1 4 . 1 1 63 63 PHE CA C 160 58.097 58.097 57.191 0.906 17752 2205 1 4 . 1 1 63 63 PHE CB C 160 39.192 39.192 41.339 -2.147 17752 2206 1 4 . 1 1 63 63 PHE H H 160 9.207 9.207 8.834 0.373 17752 2207 1 4 . 1 1 64 64 ALA N N 161 130.696 130.696 127.286 3.410 17752 2208 1 4 . 1 1 64 64 ALA HA H 161 4.645 4.645 4.372 0.273 17752 2209 1 4 . 1 1 64 64 ALA C C 161 177.327 177.327 178.342 -1.015 17752 2210 1 4 . 1 1 64 64 ALA CA C 161 51.333 51.333 53.424 -2.091 17752 2211 1 4 . 1 1 64 64 ALA CB C 161 19.696 19.696 19.592 0.104 17752 2212 1 4 . 1 1 64 64 ALA H H 161 8.371 8.371 8.692 -0.321 17752 2213 1 4 . 1 1 65 65 GLY N N 162 105.725 105.725 106.419 -0.694 17752 2214 1 4 . 1 1 65 65 GLY C C 162 173.920 173.920 174.422 -0.502 17752 2215 1 4 . 1 1 65 65 GLY CA C 162 47.245 47.245 45.958 1.287 17752 2216 1 4 . 1 1 65 65 GLY H H 162 6.059 6.059 8.461 -2.402 17752 2217 1 4 . 1 1 66 66 GLN N N 163 122.418 122.418 120.410 2.008 17752 2218 1 4 . 1 1 66 66 GLN HA H 163 5.120 5.120 4.468 0.652 17752 2219 1 4 . 1 1 66 66 GLN C C 163 176.832 176.832 173.861 2.971 17752 2220 1 4 . 1 1 66 66 GLN CA C 163 55.887 55.887 56.200 -0.313 17752 2221 1 4 . 1 1 66 66 GLN CB C 163 30.063 30.063 29.147 0.916 17752 2222 1 4 . 1 1 66 66 GLN H H 163 9.029 9.029 8.075 0.954 17752 2223 1 4 . 1 1 67 67 GLN N N 164 119.220 119.220 118.336 0.884 17752 2224 1 4 . 1 1 67 67 GLN HA H 164 4.373 4.373 4.692 -0.319 17752 2225 1 4 . 1 1 67 67 GLN C C 164 173.020 173.020 174.689 -1.669 17752 2226 1 4 . 1 1 67 67 GLN CA C 164 56.025 56.025 54.218 1.807 17752 2227 1 4 . 1 1 67 67 GLN CB C 164 30.868 30.868 31.121 -0.253 17752 2228 1 4 . 1 1 67 67 GLN H H 164 7.746 7.746 8.009 -0.263 17752 2229 1 4 . 1 1 68 68 THR N N 165 104.368 104.368 109.640 -5.272 17752 2230 1 4 . 1 1 68 68 THR HA H 165 3.264 3.264 3.589 -0.325 17752 2231 1 4 . 1 1 68 68 THR C C 165 171.726 171.726 172.486 -0.760 17752 2232 1 4 . 1 1 68 68 THR CA C 165 58.963 58.963 61.384 -2.421 17752 2233 1 4 . 1 1 68 68 THR CB C 165 66.777 66.777 68.332 -1.555 17752 2234 1 4 . 1 1 68 68 THR H H 165 7.716 7.716 8.283 -0.567 17752 2235 1 4 . 1 1 69 69 GLU N N 166 113.260 113.260 118.091 -4.831 17752 2236 1 4 . 1 1 69 69 GLU HA H 166 4.597 4.597 4.570 0.027 17752 2237 1 4 . 1 1 69 69 GLU C C 166 174.977 174.977 174.454 0.523 17752 2238 1 4 . 1 1 69 69 GLU CA C 166 53.742 53.742 54.062 -0.320 17752 2239 1 4 . 1 1 69 69 GLU CB C 166 33.177 33.177 31.954 1.223 17752 2240 1 4 . 1 1 69 69 GLU H H 166 6.562 6.562 7.375 -0.813 17752 2241 1 4 . 1 1 70 70 PHE N N 167 122.043 122.043 126.032 -3.989 17752 2242 1 4 . 1 1 70 70 PHE HA H 167 4.545 4.545 4.976 -0.431 17752 2243 1 4 . 1 1 70 70 PHE C C 167 172.620 172.620 173.815 -1.195 17752 2244 1 4 . 1 1 70 70 PHE CA C 167 58.957 58.957 56.914 2.043 17752 2245 1 4 . 1 1 70 70 PHE CB C 167 45.667 45.667 43.372 2.295 17752 2246 1 4 . 1 1 70 70 PHE H H 167 9.385 9.385 9.132 0.253 17752 2247 1 4 . 1 1 71 71 LYS N N 168 122.342 122.342 124.884 -2.542 17752 2248 1 4 . 1 1 71 71 LYS HA H 168 5.667 5.667 5.512 0.155 17752 2249 1 4 . 1 1 71 71 LYS C C 168 174.656 174.656 175.356 -0.700 17752 2250 1 4 . 1 1 71 71 LYS CA C 168 54.701 54.701 54.413 0.288 17752 2251 1 4 . 1 1 71 71 LYS CB C 168 35.338 35.338 34.799 0.539 17752 2252 1 4 . 1 1 71 71 LYS H H 168 7.129 7.129 7.672 -0.543 17752 2253 1 4 . 1 1 72 72 ILE N N 169 122.191 122.191 123.409 -1.218 17752 2254 1 4 . 1 1 72 72 ILE HA H 169 4.334 4.334 4.295 0.039 17752 2255 1 4 . 1 1 72 72 ILE C C 169 175.258 175.258 174.914 0.344 17752 2256 1 4 . 1 1 72 72 ILE CA C 169 59.091 59.091 58.930 0.161 17752 2257 1 4 . 1 1 72 72 ILE CB C 169 39.295 39.295 39.642 -0.347 17752 2258 1 4 . 1 1 72 72 ILE H H 169 8.978 8.978 8.988 -0.010 17752 2259 1 4 . 1 1 73 73 LEU N N 170 126.298 126.298 126.047 0.251 17752 2260 1 4 . 1 1 73 73 LEU HA H 170 4.647 4.647 4.607 0.040 17752 2261 1 4 . 1 1 73 73 LEU C C 170 176.979 176.979 177.415 -0.436 17752 2262 1 4 . 1 1 73 73 LEU CA C 170 56.171 56.171 55.621 0.550 17752 2263 1 4 . 1 1 73 73 LEU CB C 170 43.187 43.187 42.791 0.396 17752 2264 1 4 . 1 1 73 73 LEU H H 170 8.647 8.647 8.588 0.059 17752 2265 1 4 . 1 1 74 74 SER N N 171 112.997 112.997 116.444 -3.447 17752 2266 1 4 . 1 1 74 74 SER HA H 171 4.792 4.792 4.515 0.277 17752 2267 1 4 . 1 1 74 74 SER C C 171 172.975 172.975 173.435 -0.460 17752 2268 1 4 . 1 1 74 74 SER CA C 171 57.259 57.259 59.044 -1.785 17752 2269 1 4 . 1 1 74 74 SER CB C 171 62.829 62.829 61.531 1.298 17752 2270 1 4 . 1 1 74 74 SER H H 171 7.438 7.438 8.139 -0.701 17752 2271 1 4 . 1 1 75 75 LEU N N 172 124.862 124.862 123.236 1.626 17752 2272 1 4 . 1 1 75 75 LEU HA H 172 4.454 4.454 4.541 -0.087 17752 2273 1 4 . 1 1 75 75 LEU C C 172 175.166 175.166 175.591 -0.425 17752 2274 1 4 . 1 1 75 75 LEU CA C 172 53.276 53.276 53.623 -0.347 17752 2275 1 4 . 1 1 75 75 LEU CB C 172 45.925 45.925 45.450 0.475 17752 2276 1 4 . 1 1 75 75 LEU H H 172 7.932 7.932 7.679 0.253 17752 2277 1 4 . 1 1 76 76 HIS N N 173 120.512 120.512 121.897 -1.385 17752 2278 1 4 . 1 1 76 76 HIS HA H 173 5.027 5.027 5.064 -0.037 17752 2279 1 4 . 1 1 76 76 HIS C C 173 173.227 173.227 172.853 0.374 17752 2280 1 4 . 1 1 76 76 HIS CA C 173 53.512 53.512 53.312 0.200 17752 2281 1 4 . 1 1 76 76 HIS CB C 173 30.896 30.896 31.942 -1.046 17752 2282 1 4 . 1 1 76 76 HIS H H 173 8.350 8.350 8.760 -0.410 17752 2283 1 4 . 1 1 77 77 PRO HA H 174 4.194 4.194 4.385 -0.191 17752 2284 1 4 . 1 1 77 77 PRO C C 174 178.280 178.280 177.536 0.744 17752 2285 1 4 . 1 1 77 77 PRO CA C 174 63.005 63.005 63.909 -0.904 17752 2286 1 4 . 1 1 77 77 PRO CB C 174 32.946 32.946 31.787 1.159 17752 2287 1 4 . 1 1 78 78 GLY N N 175 109.449 109.449 113.363 -3.914 17752 2288 1 4 . 1 1 78 78 GLY C C 175 173.983 173.983 173.821 0.162 17752 2289 1 4 . 1 1 78 78 GLY CA C 175 46.309 46.309 45.033 1.276 17752 2290 1 4 . 1 1 78 78 GLY H H 175 7.323 7.323 8.642 -1.319 17752 2291 1 4 . 1 1 79 79 GLN N N 176 116.806 116.806 117.916 -1.110 17752 2292 1 4 . 1 1 79 79 GLN HA H 176 4.564 4.564 4.618 -0.054 17752 2293 1 4 . 1 1 79 79 GLN C C 176 174.210 174.210 174.549 -0.339 17752 2294 1 4 . 1 1 79 79 GLN CA C 176 54.321 54.321 53.903 0.418 17752 2295 1 4 . 1 1 79 79 GLN CB C 176 30.805 30.805 32.523 -1.718 17752 2296 1 4 . 1 1 79 79 GLN H H 176 7.122 7.122 7.612 -0.490 17752 2297 1 4 . 1 1 80 80 LYS N N 177 123.628 123.628 123.531 0.097 17752 2298 1 4 . 1 1 80 80 LYS HA H 177 4.989 4.989 4.703 0.286 17752 2299 1 4 . 1 1 80 80 LYS C C 177 175.461 175.461 175.074 0.387 17752 2300 1 4 . 1 1 80 80 LYS CA C 177 55.580 55.580 56.038 -0.458 17752 2301 1 4 . 1 1 80 80 LYS CB C 177 33.369 33.369 33.869 -0.500 17752 2302 1 4 . 1 1 80 80 LYS H H 177 8.679 8.679 8.599 0.080 17752 2303 1 4 . 1 1 81 81 TYR N N 178 126.820 126.820 124.657 2.163 17752 2304 1 4 . 1 1 81 81 TYR HA H 178 5.084 5.084 4.875 0.209 17752 2305 1 4 . 1 1 81 81 TYR C C 178 174.883 174.883 174.474 0.409 17752 2306 1 4 . 1 1 81 81 TYR CA C 178 57.082 57.082 56.719 0.363 17752 2307 1 4 . 1 1 81 81 TYR CB C 178 41.952 41.952 41.813 0.139 17752 2308 1 4 . 1 1 81 81 TYR H H 178 9.407 9.407 8.902 0.505 17752 2309 1 4 . 1 1 82 82 LEU N N 179 119.285 119.285 123.205 -3.920 17752 2310 1 4 . 1 1 82 82 LEU HA H 179 4.993 4.993 5.151 -0.158 17752 2311 1 4 . 1 1 82 82 LEU C C 179 176.372 176.372 176.393 -0.021 17752 2312 1 4 . 1 1 82 82 LEU CA C 179 54.686 54.686 53.453 1.233 17752 2313 1 4 . 1 1 82 82 LEU CB C 179 45.287 45.287 43.236 2.051 17752 2314 1 4 . 1 1 82 82 LEU H H 179 8.457 8.457 8.494 -0.037 17752 2315 1 4 . 1 1 83 83 VAL N N 180 119.136 119.136 116.676 2.460 17752 2316 1 4 . 1 1 83 83 VAL HA H 180 5.167 5.167 4.973 0.194 17752 2317 1 4 . 1 1 83 83 VAL C C 180 175.007 175.007 174.391 0.616 17752 2318 1 4 . 1 1 83 83 VAL CA C 180 60.829 60.829 60.076 0.753 17752 2319 1 4 . 1 1 83 83 VAL CB C 180 35.132 35.132 34.913 0.219 17752 2320 1 4 . 1 1 83 83 VAL H H 180 8.442 8.442 9.053 -0.611 17752 2321 1 4 . 1 1 84 84 GLN N N 181 121.769 121.769 123.395 -1.626 17752 2322 1 4 . 1 1 84 84 GLN HA H 181 4.365 4.365 4.809 -0.444 17752 2323 1 4 . 1 1 84 84 GLN C C 181 172.935 172.935 173.704 -0.769 17752 2324 1 4 . 1 1 84 84 GLN CA C 181 55.052 55.052 54.801 0.251 17752 2325 1 4 . 1 1 84 84 GLN CB C 181 36.079 36.079 33.324 2.756 17752 2326 1 4 . 1 1 84 84 GLN H H 181 8.986 8.986 8.611 0.375 17752 2327 1 4 . 1 1 85 85 VAL N N 182 116.946 116.946 123.111 -6.165 17752 2328 1 4 . 1 1 85 85 VAL HA H 182 5.444 5.444 5.052 0.392 17752 2329 1 4 . 1 1 85 85 VAL C C 182 172.842 172.842 174.275 -1.433 17752 2330 1 4 . 1 1 85 85 VAL CA C 182 59.501 59.501 59.538 -0.037 17752 2331 1 4 . 1 1 85 85 VAL CB C 182 35.973 35.973 34.364 1.609 17752 2332 1 4 . 1 1 85 85 VAL H H 182 8.425 8.425 8.572 -0.147 17752 2333 1 4 . 1 1 86 86 ARG N N 183 122.701 122.701 125.446 -2.745 17752 2334 1 4 . 1 1 86 86 ARG HA H 183 4.586 4.586 4.564 0.022 17752 2335 1 4 . 1 1 86 86 ARG C C 183 173.613 173.613 173.826 -0.213 17752 2336 1 4 . 1 1 86 86 ARG CA C 183 54.760 54.760 53.847 0.913 17752 2337 1 4 . 1 1 86 86 ARG CB C 183 33.484 33.484 33.165 0.319 17752 2338 1 4 . 1 1 86 86 ARG H H 183 8.853 8.853 9.010 -0.157 17752 2339 1 4 . 1 1 87 87 CYS N N 184 113.995 113.995 115.834 -1.839 17752 2340 1 4 . 1 1 87 87 CYS HA H 184 6.281 6.281 4.798 1.483 17752 2341 1 4 . 1 1 87 87 CYS C C 184 172.060 172.060 172.838 -0.778 17752 2342 1 4 . 1 1 87 87 CYS CA C 184 54.763 54.763 56.476 -1.713 17752 2343 1 4 . 1 1 87 87 CYS CB C 184 34.453 34.453 31.458 2.995 17752 2344 1 4 . 1 1 87 87 CYS H H 184 8.869 8.869 8.431 0.438 17752 2345 1 4 . 1 1 88 88 LYS N N 185 119.231 119.231 119.071 0.160 17752 2346 1 4 . 1 1 88 88 LYS HA H 185 4.650 4.650 4.631 0.019 17752 2347 1 4 . 1 1 88 88 LYS C C 185 172.274 172.274 173.596 -1.322 17752 2348 1 4 . 1 1 88 88 LYS CA C 185 53.192 53.192 54.041 -0.849 17752 2349 1 4 . 1 1 88 88 LYS CB C 185 33.530 33.530 32.317 1.213 17752 2350 1 4 . 1 1 88 88 LYS H H 185 8.680 8.680 8.329 0.351 17752 2351 1 4 . 1 1 89 89 PRO HA H 186 4.874 4.874 4.371 0.503 17752 2352 1 4 . 1 1 89 89 PRO C C 186 177.163 177.163 177.421 -0.258 17752 2353 1 4 . 1 1 89 89 PRO CA C 186 60.867 60.867 62.251 -1.384 17752 2354 1 4 . 1 1 89 89 PRO CB C 186 31.041 31.041 32.245 -1.204 17752 2355 1 4 . 1 1 90 90 ASP N N 187 121.615 121.615 117.118 4.497 17752 2356 1 4 . 1 1 90 90 ASP HA H 187 4.571 4.571 4.370 0.201 17752 2357 1 4 . 1 1 90 90 ASP C C 187 176.587 176.587 175.834 0.753 17752 2358 1 4 . 1 1 90 90 ASP CA C 187 56.898 56.898 55.596 1.302 17752 2359 1 4 . 1 1 90 90 ASP CB C 187 40.161 40.161 39.745 0.416 17752 2360 1 4 . 1 1 90 90 ASP H H 187 8.377 8.377 8.689 -0.312 17752 2361 1 4 . 1 1 91 91 HIS N N 188 115.767 115.767 115.630 0.137 17752 2362 1 4 . 1 1 91 91 HIS HA H 188 4.487 4.487 4.795 -0.308 17752 2363 1 4 . 1 1 91 91 HIS C C 188 174.877 174.877 174.021 0.856 17752 2364 1 4 . 1 1 91 91 HIS CA C 188 56.060 56.060 55.553 0.507 17752 2365 1 4 . 1 1 91 91 HIS CB C 188 29.064 29.064 30.892 -1.829 17752 2366 1 4 . 1 1 91 91 HIS H H 188 8.020 8.020 7.656 0.364 17752 2367 1 4 . 1 1 92 92 GLY N N 189 108.492 108.492 105.153 3.339 17752 2368 1 4 . 1 1 92 92 GLY C C 189 171.977 171.977 171.598 0.379 17752 2369 1 4 . 1 1 92 92 GLY CA C 189 44.356 44.356 45.245 -0.889 17752 2370 1 4 . 1 1 92 92 GLY H H 189 7.648 7.648 7.676 -0.028 17752 2371 1 4 . 1 1 93 93 TYR N N 190 120.823 120.823 115.595 5.228 17752 2372 1 4 . 1 1 93 93 TYR HA H 190 4.589 4.589 4.829 -0.240 17752 2373 1 4 . 1 1 93 93 TYR C C 190 174.685 174.685 174.645 0.040 17752 2374 1 4 . 1 1 93 93 TYR CA C 190 55.924 55.924 55.874 0.050 17752 2375 1 4 . 1 1 93 93 TYR CB C 190 40.462 40.462 39.443 1.019 17752 2376 1 4 . 1 1 93 93 TYR H H 190 8.265 8.265 7.728 0.537 17752 2377 1 4 . 1 1 94 94 TRP N N 191 117.501 117.501 121.633 -4.132 17752 2378 1 4 . 1 1 94 94 TRP HA H 191 4.399 4.399 4.389 0.010 17752 2379 1 4 . 1 1 94 94 TRP C C 191 178.522 178.522 175.887 2.635 17752 2380 1 4 . 1 1 94 94 TRP CA C 191 57.620 57.620 59.607 -1.987 17752 2381 1 4 . 1 1 94 94 TRP CB C 191 30.530 30.530 29.574 0.956 17752 2382 1 4 . 1 1 94 94 TRP H H 191 7.637 7.637 8.736 -1.099 17752 2383 1 4 . 1 1 95 95 SER N N 192 117.327 117.327 117.219 0.108 17752 2384 1 4 . 1 1 95 95 SER HA H 192 4.314 4.314 4.419 -0.105 17752 2385 1 4 . 1 1 95 95 SER C C 192 173.924 173.924 173.807 0.117 17752 2386 1 4 . 1 1 95 95 SER CA C 192 57.840 57.840 57.491 0.349 17752 2387 1 4 . 1 1 95 95 SER CB C 192 67.312 67.312 64.517 2.795 17752 2388 1 4 . 1 1 95 95 SER H H 192 9.755 9.755 8.157 1.598 17752 2389 1 4 . 1 1 96 96 ALA N N 193 120.747 120.747 123.970 -3.223 17752 2390 1 4 . 1 1 96 96 ALA HA H 193 4.134 4.134 3.765 0.369 17752 2391 1 4 . 1 1 96 96 ALA C C 193 178.311 178.311 175.611 2.700 17752 2392 1 4 . 1 1 96 96 ALA CA C 193 52.387 52.387 52.412 -0.025 17752 2393 1 4 . 1 1 96 96 ALA CB C 193 18.821 18.821 18.533 0.288 17752 2394 1 4 . 1 1 96 96 ALA H H 193 8.824 8.824 7.753 1.071 17752 2395 1 4 . 1 1 97 97 TRP N N 194 120.634 120.634 120.719 -0.085 17752 2396 1 4 . 1 1 97 97 TRP HA H 194 4.314 4.314 4.746 -0.432 17752 2397 1 4 . 1 1 97 97 TRP C C 194 177.944 177.944 175.665 2.279 17752 2398 1 4 . 1 1 97 97 TRP CA C 194 57.825 57.825 56.575 1.250 17752 2399 1 4 . 1 1 97 97 TRP CB C 194 29.702 29.702 30.301 -0.599 17752 2400 1 4 . 1 1 97 97 TRP H H 194 8.118 8.118 8.166 -0.048 17752 2401 1 4 . 1 1 98 98 SER N N 195 118.649 118.649 118.736 -0.087 17752 2402 1 4 . 1 1 98 98 SER HA H 195 4.372 4.372 4.646 -0.274 17752 2403 1 4 . 1 1 98 98 SER C C 195 170.132 170.132 173.622 -3.490 17752 2404 1 4 . 1 1 98 98 SER CA C 195 57.851 57.851 58.666 -0.815 17752 2405 1 4 . 1 1 98 98 SER CB C 195 62.213 62.213 62.011 0.202 17752 2406 1 4 . 1 1 98 98 SER H H 195 9.327 9.327 8.502 0.825 17752 2407 1 4 . 1 1 99 99 PRO HA H 196 4.585 4.585 4.541 0.044 17752 2408 1 4 . 1 1 99 99 PRO C C 196 178.242 178.242 175.173 3.069 17752 2409 1 4 . 1 1 99 99 PRO CA C 196 63.403 63.403 62.151 1.252 17752 2410 1 4 . 1 1 99 99 PRO CB C 196 31.405 31.405 30.572 0.833 17752 2411 1 4 . 1 1 100 100 ALA N N 197 127.219 127.219 128.582 -1.363 17752 2412 1 4 . 1 1 100 100 ALA HA H 197 4.680 4.680 4.401 0.279 17752 2413 1 4 . 1 1 100 100 ALA C C 197 178.043 178.043 176.772 1.271 17752 2414 1 4 . 1 1 100 100 ALA CA C 197 52.309 52.309 51.320 0.989 17752 2415 1 4 . 1 1 100 100 ALA CB C 197 18.973 18.973 18.818 0.155 17752 2416 1 4 . 1 1 100 100 ALA H H 197 9.001 9.001 7.972 1.029 17752 2417 1 4 . 1 1 101 101 THR N N 198 118.178 118.178 121.289 -3.111 17752 2418 1 4 . 1 1 101 101 THR HA H 198 4.598 4.598 4.565 0.033 17752 2419 1 4 . 1 1 101 101 THR C C 198 172.242 172.242 173.750 -1.508 17752 2420 1 4 . 1 1 101 101 THR CA C 198 61.440 61.440 61.916 -0.476 17752 2421 1 4 . 1 1 101 101 THR CB C 198 70.945 70.945 69.996 0.949 17752 2422 1 4 . 1 1 101 101 THR H H 198 8.617 8.617 8.422 0.195 17752 2423 1 4 . 1 1 102 102 PHE N N 199 123.141 123.141 125.989 -2.848 17752 2424 1 4 . 1 1 102 102 PHE HA H 199 5.867 5.867 4.875 0.992 17752 2425 1 4 . 1 1 102 102 PHE C C 199 175.273 175.273 175.741 -0.468 17752 2426 1 4 . 1 1 102 102 PHE CA C 199 55.877 55.877 57.945 -2.068 17752 2427 1 4 . 1 1 102 102 PHE CB C 199 42.052 42.052 40.242 1.810 17752 2428 1 4 . 1 1 102 102 PHE H H 199 8.419 8.419 8.976 -0.557 17752 2429 1 4 . 1 1 103 103 ILE N N 200 118.251 118.251 125.025 -6.774 17752 2430 1 4 . 1 1 103 103 ILE HA H 200 4.674 4.674 4.605 0.069 17752 2431 1 4 . 1 1 103 103 ILE C C 200 171.732 171.732 174.149 -2.417 17752 2432 1 4 . 1 1 103 103 ILE CA C 200 58.046 58.046 59.366 -1.320 17752 2433 1 4 . 1 1 103 103 ILE CB C 200 41.631 41.631 42.410 -0.779 17752 2434 1 4 . 1 1 103 103 ILE H H 200 8.940 8.940 9.027 -0.087 17752 2435 1 4 . 1 1 104 104 GLN N N 201 127.961 127.961 127.777 0.184 17752 2436 1 4 . 1 1 104 104 GLN HA H 201 4.592 4.592 4.602 -0.010 17752 2437 1 4 . 1 1 104 104 GLN C C 201 174.363 174.363 175.450 -1.087 17752 2438 1 4 . 1 1 104 104 GLN CA C 201 54.484 54.484 54.348 0.136 17752 2439 1 4 . 1 1 104 104 GLN CB C 201 29.320 29.320 29.310 0.010 17752 2440 1 4 . 1 1 104 104 GLN H H 201 8.641 8.641 8.563 0.078 17752 2441 1 4 . 1 1 105 105 ILE N N 202 129.177 129.177 126.952 2.225 17752 2442 1 4 . 1 1 105 105 ILE HA H 202 4.406 4.406 4.343 0.063 17752 2443 1 4 . 1 1 105 105 ILE C C 202 175.609 175.609 174.961 0.648 17752 2444 1 4 . 1 1 105 105 ILE CA C 202 56.023 56.023 57.096 -1.073 17752 2445 1 4 . 1 1 105 105 ILE CB C 202 35.689 35.689 37.210 -1.521 17752 2446 1 4 . 1 1 105 105 ILE H H 202 8.676 8.676 8.435 0.241 17752 2447 1 4 . 1 1 106 106 PRO HA H 203 4.578 4.578 4.639 -0.061 17752 2448 1 4 . 1 1 106 106 PRO CB C 203 33.030 33.030 32.630 0.400 17752 2449 1 4 . 1 1 107 107 SER N N 204 115.204 115.204 115.281 -0.077 17752 2450 1 4 . 1 1 107 107 SER HA H 204 4.108 4.108 4.191 -0.083 17752 2451 1 4 . 1 1 107 107 SER C C 204 173.757 173.757 174.526 -0.769 17752 2452 1 4 . 1 1 107 107 SER CA C 204 60.355 60.355 60.587 -0.232 17752 2453 1 4 . 1 1 107 107 SER CB C 204 63.094 63.094 63.340 -0.246 17752 2454 1 4 . 1 1 107 107 SER H H 204 7.914 7.914 8.655 -0.741 17752 2455 1 4 . 1 1 108 108 ASP N N 205 118.737 118.737 118.251 0.486 17752 2456 1 4 . 1 1 108 108 ASP HA H 205 4.659 4.659 4.564 0.095 17752 2457 1 4 . 1 1 108 108 ASP C C 205 175.704 175.704 175.854 -0.150 17752 2458 1 4 . 1 1 108 108 ASP CA C 205 53.229 53.229 53.474 -0.245 17752 2459 1 4 . 1 1 108 108 ASP CB C 205 40.152 40.152 39.590 0.562 17752 2460 1 4 . 1 1 108 108 ASP H H 205 8.244 8.244 8.169 0.075 17752 2461 1 4 . 1 1 109 109 PHE N N 206 120.285 120.285 120.606 -0.321 17752 2462 1 4 . 1 1 109 109 PHE HA H 206 4.411 4.411 4.431 -0.020 17752 2463 1 4 . 1 1 109 109 PHE C C 206 174.781 174.781 175.300 -0.519 17752 2464 1 4 . 1 1 109 109 PHE CA C 206 58.706 58.706 59.535 -0.829 17752 2465 1 4 . 1 1 109 109 PHE CB C 206 40.075 40.075 39.987 0.088 17752 2466 1 4 . 1 1 109 109 PHE H H 206 7.595 7.595 7.430 0.165 17752 2467 1 4 . 1 1 110 110 THR N N 207 115.253 115.253 116.206 -0.953 17752 2468 1 4 . 1 1 110 110 THR HA H 207 4.294 4.294 4.121 0.173 17752 2469 1 4 . 1 1 110 110 THR C C 207 173.714 173.714 175.260 -1.546 17752 2470 1 4 . 1 1 110 110 THR CA C 207 61.742 61.742 64.118 -2.376 17752 2471 1 4 . 1 1 110 110 THR CB C 207 70.070 70.070 69.459 0.611 17752 2472 1 4 . 1 1 110 110 THR H H 207 7.812 7.812 7.551 0.261 17752 2473 1 4 . 1 1 111 111 MET N N 208 122.575 122.575 126.863 -4.288 17752 2474 1 4 . 1 1 111 111 MET HA H 208 4.555 4.555 4.180 0.375 17752 2475 1 4 . 1 1 111 111 MET C C 208 175.656 175.656 176.294 -0.638 17752 2476 1 4 . 1 1 111 111 MET CA C 208 55.451 55.451 57.027 -1.576 17752 2477 1 4 . 1 1 111 111 MET CB C 208 33.175 33.175 33.022 0.153 17752 2478 1 4 . 1 1 111 111 MET H H 208 8.391 8.391 8.444 -0.053 17752 2479 1 4 . 1 1 112 112 ASN N N 209 120.351 120.351 118.560 1.791 17752 2480 1 4 . 1 1 112 112 ASN HA H 209 4.785 4.785 4.643 0.142 17752 2481 1 4 . 1 1 112 112 ASN C C 209 173.846 173.846 174.108 -0.262 17752 2482 1 4 . 1 1 112 112 ASN CA C 209 53.341 53.341 53.623 -0.282 17752 2483 1 4 . 1 1 112 112 ASN CB C 209 39.600 39.600 37.790 1.810 17752 2484 1 4 . 1 1 112 112 ASN H H 209 8.442 8.442 8.192 0.250 17752 2485 1 5 . 1 1 2 2 TYR HA H 99 4.624 4.624 4.910 -0.286 17752 2486 1 5 . 1 1 2 2 TYR C C 99 174.994 174.994 174.579 0.415 17752 2487 1 5 . 1 1 2 2 TYR CA C 99 57.524 57.524 56.815 0.709 17752 2488 1 5 . 1 1 2 2 TYR CB C 99 38.543 38.543 40.011 -1.468 17752 2489 1 5 . 1 1 3 3 ILE N N 100 124.242 124.242 126.573 -2.331 17752 2490 1 5 . 1 1 3 3 ILE HA H 100 4.058 4.058 4.179 -0.121 17752 2491 1 5 . 1 1 3 3 ILE C C 100 174.994 174.994 174.606 0.388 17752 2492 1 5 . 1 1 3 3 ILE CA C 100 60.621 60.621 61.821 -1.200 17752 2493 1 5 . 1 1 3 3 ILE CB C 100 38.685 38.685 37.534 1.151 17752 2494 1 5 . 1 1 3 3 ILE H H 100 8.034 8.034 8.085 -0.051 17752 2495 1 5 . 1 1 4 4 VAL N N 101 123.770 123.770 125.997 -2.227 17752 2496 1 5 . 1 1 4 4 VAL HA H 101 4.024 4.024 4.378 -0.353 17752 2497 1 5 . 1 1 4 4 VAL C C 101 174.457 174.457 173.997 0.460 17752 2498 1 5 . 1 1 4 4 VAL CA C 101 62.142 62.142 59.635 2.507 17752 2499 1 5 . 1 1 4 4 VAL CB C 101 32.961 32.961 35.816 -2.854 17752 2500 1 5 . 1 1 4 4 VAL H H 101 7.858 7.858 8.295 -0.437 17752 2501 1 5 . 1 1 5 5 GLN N N 102 124.937 124.937 126.275 -1.338 17752 2502 1 5 . 1 1 5 5 GLN HA H 102 4.859 4.859 4.766 0.093 17752 2503 1 5 . 1 1 5 5 GLN C C 102 173.189 173.189 174.308 -1.119 17752 2504 1 5 . 1 1 5 5 GLN CA C 102 52.458 52.458 53.982 -1.524 17752 2505 1 5 . 1 1 5 5 GLN CB C 102 30.185 30.185 27.903 2.282 17752 2506 1 5 . 1 1 5 5 GLN H H 102 8.269 8.269 8.396 -0.127 17752 2507 1 5 . 1 1 6 6 PRO HA H 103 4.533 4.533 4.480 0.053 17752 2508 1 5 . 1 1 6 6 PRO C C 103 175.646 175.646 175.991 -0.345 17752 2509 1 5 . 1 1 6 6 PRO CA C 103 62.290 62.290 64.147 -1.857 17752 2510 1 5 . 1 1 6 6 PRO CB C 103 31.983 31.983 32.214 -0.231 17752 2511 1 5 . 1 1 7 7 ASP N N 104 120.340 120.340 118.769 1.571 17752 2512 1 5 . 1 1 7 7 ASP HA H 104 4.851 4.851 4.956 -0.105 17752 2513 1 5 . 1 1 7 7 ASP C C 104 171.565 171.565 174.302 -2.737 17752 2514 1 5 . 1 1 7 7 ASP CA C 104 53.742 53.742 50.889 2.853 17752 2515 1 5 . 1 1 7 7 ASP CB C 104 40.258 40.258 42.431 -2.173 17752 2516 1 5 . 1 1 7 7 ASP H H 104 7.897 7.897 8.002 -0.105 17752 2517 1 5 . 1 1 9 9 PRO HA H 106 4.332 4.332 4.710 -0.378 17752 2518 1 5 . 1 1 9 9 PRO C C 106 174.091 174.091 176.433 -2.342 17752 2519 1 5 . 1 1 9 9 PRO CA C 106 62.569 62.569 62.902 -0.333 17752 2520 1 5 . 1 1 9 9 PRO CB C 106 32.391 32.391 32.248 0.143 17752 2521 1 5 . 1 1 10 10 LEU N N 107 118.910 118.910 118.924 -0.014 17752 2522 1 5 . 1 1 10 10 LEU HA H 107 4.642 4.642 4.921 -0.279 17752 2523 1 5 . 1 1 10 10 LEU C C 107 175.964 175.964 175.855 0.109 17752 2524 1 5 . 1 1 10 10 LEU CA C 107 53.919 53.919 53.586 0.333 17752 2525 1 5 . 1 1 10 10 LEU CB C 107 46.315 46.315 44.767 1.548 17752 2526 1 5 . 1 1 10 10 LEU H H 107 7.793 7.793 8.505 -0.712 17752 2527 1 5 . 1 1 11 11 GLU N N 108 113.307 113.307 116.942 -3.635 17752 2528 1 5 . 1 1 11 11 GLU HA H 108 3.805 3.805 3.993 -0.188 17752 2529 1 5 . 1 1 11 11 GLU C C 108 175.118 175.118 175.154 -0.036 17752 2530 1 5 . 1 1 11 11 GLU CA C 108 56.418 56.418 57.397 -0.979 17752 2531 1 5 . 1 1 11 11 GLU CB C 108 27.789 27.789 27.604 0.185 17752 2532 1 5 . 1 1 11 11 GLU H H 108 8.539 8.539 8.656 -0.117 17752 2533 1 5 . 1 1 12 12 LEU N N 109 120.420 120.420 120.990 -0.570 17752 2534 1 5 . 1 1 12 12 LEU HA H 109 4.903 4.903 4.276 0.627 17752 2535 1 5 . 1 1 12 12 LEU C C 109 176.238 176.238 175.566 0.672 17752 2536 1 5 . 1 1 12 12 LEU CA C 109 56.228 56.228 54.816 1.412 17752 2537 1 5 . 1 1 12 12 LEU CB C 109 42.021 42.021 41.950 0.071 17752 2538 1 5 . 1 1 12 12 LEU H H 109 8.053 8.053 8.069 -0.016 17752 2539 1 5 . 1 1 13 13 ALA N N 110 132.286 132.286 130.878 1.408 17752 2540 1 5 . 1 1 13 13 ALA HA H 110 4.833 4.833 4.851 -0.018 17752 2541 1 5 . 1 1 13 13 ALA C C 110 175.560 175.560 175.266 0.294 17752 2542 1 5 . 1 1 13 13 ALA CA C 110 51.152 51.152 50.748 0.404 17752 2543 1 5 . 1 1 13 13 ALA CB C 110 21.788 21.788 20.770 1.018 17752 2544 1 5 . 1 1 13 13 ALA H H 110 9.653 9.653 8.868 0.785 17752 2545 1 5 . 1 1 14 14 VAL N N 111 116.305 116.305 124.186 -7.881 17752 2546 1 5 . 1 1 14 14 VAL HA H 111 5.293 5.293 4.798 0.495 17752 2547 1 5 . 1 1 14 14 VAL C C 111 174.459 174.459 175.418 -0.959 17752 2548 1 5 . 1 1 14 14 VAL CA C 111 59.146 59.146 61.306 -2.160 17752 2549 1 5 . 1 1 14 14 VAL CB C 111 35.256 35.256 33.932 1.324 17752 2550 1 5 . 1 1 14 14 VAL H H 111 8.477 8.477 8.535 -0.058 17752 2551 1 5 . 1 1 15 15 GLU N N 112 122.235 122.235 129.192 -6.957 17752 2552 1 5 . 1 1 15 15 GLU HA H 112 4.659 4.659 4.778 -0.119 17752 2553 1 5 . 1 1 15 15 GLU C C 112 174.581 174.581 174.276 0.305 17752 2554 1 5 . 1 1 15 15 GLU CA C 112 55.224 55.224 54.399 0.825 17752 2555 1 5 . 1 1 15 15 GLU CB C 112 34.744 34.744 34.186 0.558 17752 2556 1 5 . 1 1 15 15 GLU H H 112 8.947 8.947 8.900 0.047 17752 2557 1 5 . 1 1 16 16 VAL N N 113 124.568 124.568 124.208 0.360 17752 2558 1 5 . 1 1 16 16 VAL HA H 113 4.441 4.441 4.302 0.139 17752 2559 1 5 . 1 1 16 16 VAL C C 113 175.480 175.480 175.120 0.360 17752 2560 1 5 . 1 1 16 16 VAL CA C 113 62.281 62.281 61.406 0.875 17752 2561 1 5 . 1 1 16 16 VAL CB C 113 31.565 31.565 33.285 -1.720 17752 2562 1 5 . 1 1 16 16 VAL H H 113 9.044 9.044 8.621 0.423 17752 2563 1 5 . 1 1 17 17 LYS N N 114 128.676 128.676 129.732 -1.056 17752 2564 1 5 . 1 1 17 17 LYS HA H 114 4.403 4.403 4.511 -0.108 17752 2565 1 5 . 1 1 17 17 LYS C C 114 174.547 174.547 174.690 -0.143 17752 2566 1 5 . 1 1 17 17 LYS CA C 114 53.518 53.518 54.177 -0.659 17752 2567 1 5 . 1 1 17 17 LYS CB C 114 32.995 32.995 33.179 -0.184 17752 2568 1 5 . 1 1 17 17 LYS H H 114 8.788 8.788 8.965 -0.177 17752 2569 1 5 . 1 1 18 18 GLN N N 115 119.854 119.854 123.609 -3.755 17752 2570 1 5 . 1 1 18 18 GLN HA H 115 4.691 4.691 4.558 0.133 17752 2571 1 5 . 1 1 18 18 GLN C C 115 172.587 172.587 173.927 -1.340 17752 2572 1 5 . 1 1 18 18 GLN CA C 115 52.787 52.787 53.601 -0.814 17752 2573 1 5 . 1 1 18 18 GLN CB C 115 30.109 30.109 29.383 0.726 17752 2574 1 5 . 1 1 18 18 GLN H H 115 8.537 8.537 8.713 -0.176 17752 2575 1 5 . 1 1 19 19 PRO HA H 116 4.526 4.526 4.446 0.080 17752 2576 1 5 . 1 1 19 19 PRO C C 116 176.958 176.958 176.401 0.557 17752 2577 1 5 . 1 1 19 19 PRO CA C 116 62.106 62.106 62.228 -0.122 17752 2578 1 5 . 1 1 19 19 PRO CB C 116 32.375 32.375 32.675 -0.299 17752 2579 1 5 . 1 1 20 20 GLU N N 117 119.774 119.774 119.498 0.276 17752 2580 1 5 . 1 1 20 20 GLU HA H 117 4.079 4.079 4.198 -0.119 17752 2581 1 5 . 1 1 20 20 GLU C C 117 176.961 176.961 177.137 -0.176 17752 2582 1 5 . 1 1 20 20 GLU CA C 117 58.256 58.256 57.940 0.316 17752 2583 1 5 . 1 1 20 20 GLU CB C 117 29.653 29.653 29.981 -0.328 17752 2584 1 5 . 1 1 20 20 GLU H H 117 8.806 8.806 8.566 0.240 17752 2585 1 5 . 1 1 21 21 ASP N N 118 116.513 116.513 119.098 -2.585 17752 2586 1 5 . 1 1 21 21 ASP HA H 118 4.482 4.482 4.570 -0.088 17752 2587 1 5 . 1 1 21 21 ASP C C 118 175.271 175.271 176.589 -1.318 17752 2588 1 5 . 1 1 21 21 ASP CA C 118 54.231 54.231 54.889 -0.658 17752 2589 1 5 . 1 1 21 21 ASP CB C 118 40.460 40.460 41.214 -0.754 17752 2590 1 5 . 1 1 21 21 ASP H H 118 8.449 8.449 8.369 0.080 17752 2591 1 5 . 1 1 22 22 ARG N N 119 115.342 115.342 119.897 -4.555 17752 2592 1 5 . 1 1 22 22 ARG HA H 119 4.491 4.491 4.493 -0.002 17752 2593 1 5 . 1 1 22 22 ARG C C 119 174.745 174.745 175.349 -0.604 17752 2594 1 5 . 1 1 22 22 ARG CA C 119 54.806 54.806 55.106 -0.300 17752 2595 1 5 . 1 1 22 22 ARG CB C 119 32.004 32.004 32.230 -0.226 17752 2596 1 5 . 1 1 22 22 ARG H H 119 7.448 7.448 7.771 -0.323 17752 2597 1 5 . 1 1 23 23 LYS N N 120 119.981 119.981 120.735 -0.754 17752 2598 1 5 . 1 1 23 23 LYS HA H 120 4.489 4.489 4.598 -0.109 17752 2599 1 5 . 1 1 23 23 LYS C C 120 173.641 173.641 175.127 -1.486 17752 2600 1 5 . 1 1 23 23 LYS CA C 120 54.621 54.621 54.586 0.035 17752 2601 1 5 . 1 1 23 23 LYS CB C 120 31.611 31.611 32.274 -0.663 17752 2602 1 5 . 1 1 23 23 LYS H H 120 7.982 7.982 8.278 -0.296 17752 2603 1 5 . 1 1 24 24 PRO HA H 121 4.813 4.813 4.477 0.336 17752 2604 1 5 . 1 1 24 24 PRO C C 121 174.901 174.901 175.308 -0.407 17752 2605 1 5 . 1 1 24 24 PRO CA C 121 62.720 62.720 62.863 -0.143 17752 2606 1 5 . 1 1 24 24 PRO CB C 121 33.066 33.066 31.625 1.441 17752 2607 1 5 . 1 1 25 25 TYR N N 122 111.573 111.573 118.271 -6.698 17752 2608 1 5 . 1 1 25 25 TYR HA H 122 5.134 5.134 5.346 -0.212 17752 2609 1 5 . 1 1 25 25 TYR C C 122 172.672 172.672 173.233 -0.561 17752 2610 1 5 . 1 1 25 25 TYR CA C 122 55.650 55.650 55.783 -0.133 17752 2611 1 5 . 1 1 25 25 TYR CB C 122 40.394 40.394 41.068 -0.674 17752 2612 1 5 . 1 1 25 25 TYR H H 122 8.287 8.287 8.718 -0.431 17752 2613 1 5 . 1 1 26 26 LEU N N 123 120.288 120.288 121.583 -1.295 17752 2614 1 5 . 1 1 26 26 LEU HA H 123 4.907 4.907 4.820 0.087 17752 2615 1 5 . 1 1 26 26 LEU C C 123 174.277 174.277 175.092 -0.815 17752 2616 1 5 . 1 1 26 26 LEU CA C 123 53.789 53.789 54.318 -0.529 17752 2617 1 5 . 1 1 26 26 LEU CB C 123 44.717 44.717 45.077 -0.360 17752 2618 1 5 . 1 1 26 26 LEU H H 123 9.073 9.073 8.696 0.377 17752 2619 1 5 . 1 1 27 27 TRP N N 124 130.187 130.187 131.045 -0.858 17752 2620 1 5 . 1 1 27 27 TRP HA H 124 5.555 5.555 5.449 0.106 17752 2621 1 5 . 1 1 27 27 TRP C C 124 173.810 173.810 174.333 -0.523 17752 2622 1 5 . 1 1 27 27 TRP CA C 124 55.161 55.161 54.342 0.819 17752 2623 1 5 . 1 1 27 27 TRP CB C 124 31.383 31.383 30.722 0.661 17752 2624 1 5 . 1 1 27 27 TRP H H 124 9.628 9.628 9.487 0.141 17752 2625 1 5 . 1 1 28 28 ILE N N 125 128.941 128.941 129.841 -0.900 17752 2626 1 5 . 1 1 28 28 ILE HA H 125 4.814 4.814 4.570 0.244 17752 2627 1 5 . 1 1 28 28 ILE C C 125 173.004 173.004 173.944 -0.940 17752 2628 1 5 . 1 1 28 28 ILE CA C 125 60.152 60.152 60.313 -0.161 17752 2629 1 5 . 1 1 28 28 ILE CB C 125 41.018 41.018 39.232 1.786 17752 2630 1 5 . 1 1 28 28 ILE H H 125 8.867 8.867 9.401 -0.534 17752 2631 1 5 . 1 1 29 29 LYS N N 126 124.705 124.705 127.360 -2.655 17752 2632 1 5 . 1 1 29 29 LYS HA H 126 4.553 4.553 4.482 0.071 17752 2633 1 5 . 1 1 29 29 LYS C C 126 173.764 173.764 174.374 -0.610 17752 2634 1 5 . 1 1 29 29 LYS CA C 126 55.137 55.137 54.181 0.956 17752 2635 1 5 . 1 1 29 29 LYS CB C 126 35.952 35.952 35.914 0.038 17752 2636 1 5 . 1 1 29 29 LYS H H 126 8.789 8.789 8.595 0.194 17752 2637 1 5 . 1 1 30 30 TRP N N 127 118.127 118.127 124.108 -5.981 17752 2638 1 5 . 1 1 30 30 TRP HA H 127 5.010 5.010 5.463 -0.453 17752 2639 1 5 . 1 1 30 30 TRP C C 127 173.354 173.354 174.539 -1.185 17752 2640 1 5 . 1 1 30 30 TRP CA C 127 57.079 57.079 54.475 2.604 17752 2641 1 5 . 1 1 30 30 TRP CB C 127 29.480 29.480 31.103 -1.623 17752 2642 1 5 . 1 1 30 30 TRP H H 127 7.408 7.408 6.976 0.432 17752 2643 1 5 . 1 1 31 31 SER N N 128 113.791 113.791 116.498 -2.707 17752 2644 1 5 . 1 1 31 31 SER HA H 128 5.137 5.137 4.922 0.215 17752 2645 1 5 . 1 1 31 31 SER C C 128 171.258 171.258 172.645 -1.387 17752 2646 1 5 . 1 1 31 31 SER CA C 128 55.299 55.299 55.393 -0.094 17752 2647 1 5 . 1 1 31 31 SER CB C 128 63.849 63.849 63.282 0.566 17752 2648 1 5 . 1 1 31 31 SER H H 128 8.972 8.972 8.653 0.319 17752 2649 1 5 . 1 1 32 32 PRO HA H 129 4.953 4.953 4.681 0.272 17752 2650 1 5 . 1 1 33 33 PRO HA H 130 4.515 4.515 4.402 0.113 17752 2651 1 5 . 1 1 33 33 PRO C C 130 176.322 176.322 177.098 -0.776 17752 2652 1 5 . 1 1 33 33 PRO CA C 130 62.668 62.668 63.578 -0.910 17752 2653 1 5 . 1 1 33 33 PRO CB C 130 32.077 32.077 32.235 -0.158 17752 2654 1 5 . 1 1 34 34 THR N N 131 113.844 113.844 117.084 -3.240 17752 2655 1 5 . 1 1 34 34 THR HA H 131 4.147 4.147 4.341 -0.194 17752 2656 1 5 . 1 1 34 34 THR C C 131 174.576 174.576 175.303 -0.727 17752 2657 1 5 . 1 1 34 34 THR CA C 131 62.833 62.833 63.711 -0.878 17752 2658 1 5 . 1 1 34 34 THR CB C 131 69.346 69.346 69.442 -0.095 17752 2659 1 5 . 1 1 34 34 THR H H 131 8.128 8.128 9.508 -1.380 17752 2660 1 5 . 1 1 35 35 LEU N N 132 125.831 125.831 120.195 5.636 17752 2661 1 5 . 1 1 35 35 LEU HA H 132 4.432 4.432 4.363 0.069 17752 2662 1 5 . 1 1 35 35 LEU C C 132 176.794 176.794 178.390 -1.596 17752 2663 1 5 . 1 1 35 35 LEU CA C 132 54.799 54.799 54.781 0.018 17752 2664 1 5 . 1 1 35 35 LEU CB C 132 42.344 42.344 42.694 -0.349 17752 2665 1 5 . 1 1 35 35 LEU H H 132 8.336 8.336 7.592 0.744 17752 2666 1 5 . 1 1 36 36 ILE N N 133 121.733 121.733 116.672 5.061 17752 2667 1 5 . 1 1 36 36 ILE HA H 133 4.070 4.070 3.547 0.523 17752 2668 1 5 . 1 1 36 36 ILE C C 133 175.690 175.690 175.661 0.029 17752 2669 1 5 . 1 1 36 36 ILE CA C 133 61.695 61.695 63.010 -1.315 17752 2670 1 5 . 1 1 36 36 ILE CB C 133 38.553 38.553 37.422 1.131 17752 2671 1 5 . 1 1 36 36 ILE H H 133 8.054 8.054 8.547 -0.493 17752 2672 1 5 . 1 1 37 37 ASP N N 134 121.852 121.852 120.544 1.308 17752 2673 1 5 . 1 1 37 37 ASP HA H 134 4.573 4.573 4.352 0.221 17752 2674 1 5 . 1 1 37 37 ASP C C 134 176.011 176.011 175.800 0.211 17752 2675 1 5 . 1 1 37 37 ASP CA C 134 54.346 54.346 54.787 -0.441 17752 2676 1 5 . 1 1 37 37 ASP CB C 134 41.096 41.096 40.541 0.555 17752 2677 1 5 . 1 1 37 37 ASP H H 134 8.254 8.254 8.366 -0.112 17752 2678 1 5 . 1 1 38 38 LEU N N 135 122.044 122.044 117.455 4.589 17752 2679 1 5 . 1 1 38 38 LEU HA H 135 4.225 4.225 4.544 -0.319 17752 2680 1 5 . 1 1 38 38 LEU C C 135 177.779 177.779 176.725 1.054 17752 2681 1 5 . 1 1 38 38 LEU CA C 135 55.748 55.748 54.411 1.337 17752 2682 1 5 . 1 1 38 38 LEU CB C 135 42.220 42.220 40.150 2.070 17752 2683 1 5 . 1 1 38 38 LEU H H 135 8.052 8.052 8.346 -0.294 17752 2684 1 5 . 1 1 39 39 LYS N N 136 119.589 119.589 122.880 -3.291 17752 2685 1 5 . 1 1 39 39 LYS HA H 136 4.225 4.225 4.416 -0.191 17752 2686 1 5 . 1 1 39 39 LYS C C 136 177.024 177.024 176.547 0.477 17752 2687 1 5 . 1 1 39 39 LYS CA C 136 57.161 57.161 56.416 0.745 17752 2688 1 5 . 1 1 39 39 LYS CB C 136 32.220 32.220 32.757 -0.537 17752 2689 1 5 . 1 1 39 39 LYS H H 136 8.295 8.295 8.012 0.283 17752 2690 1 5 . 1 1 40 40 THR N N 137 112.003 112.003 113.417 -1.414 17752 2691 1 5 . 1 1 40 40 THR HA H 137 4.189 4.189 4.405 -0.216 17752 2692 1 5 . 1 1 40 40 THR C C 137 174.914 174.914 176.386 -1.472 17752 2693 1 5 . 1 1 40 40 THR CA C 137 62.152 62.152 61.719 0.433 17752 2694 1 5 . 1 1 40 40 THR CB C 137 69.513 69.513 70.259 -0.746 17752 2695 1 5 . 1 1 40 40 THR H H 137 7.787 7.787 7.595 0.192 17752 2696 1 5 . 1 1 41 41 GLY N N 138 109.975 109.975 111.508 -1.533 17752 2697 1 5 . 1 1 41 41 GLY C C 138 173.470 173.470 175.361 -1.891 17752 2698 1 5 . 1 1 41 41 GLY CA C 138 45.370 45.370 45.487 -0.117 17752 2699 1 5 . 1 1 41 41 GLY H H 138 8.017 8.017 9.108 -1.091 17752 2700 1 5 . 1 1 42 42 TRP N N 139 119.581 119.581 121.719 -2.138 17752 2701 1 5 . 1 1 42 42 TRP HA H 139 4.634 4.634 4.597 0.037 17752 2702 1 5 . 1 1 42 42 TRP C C 139 175.349 175.349 176.069 -0.720 17752 2703 1 5 . 1 1 42 42 TRP CA C 139 56.762 56.762 58.225 -1.463 17752 2704 1 5 . 1 1 42 42 TRP CB C 139 29.199 29.199 30.012 -0.813 17752 2705 1 5 . 1 1 42 42 TRP H H 139 7.787 7.787 7.906 -0.119 17752 2706 1 5 . 1 1 43 43 PHE N N 140 119.509 119.509 120.768 -1.259 17752 2707 1 5 . 1 1 43 43 PHE HA H 140 4.675 4.675 4.756 -0.081 17752 2708 1 5 . 1 1 43 43 PHE C C 140 174.658 174.658 173.923 0.735 17752 2709 1 5 . 1 1 43 43 PHE CA C 140 57.106 57.106 57.138 -0.032 17752 2710 1 5 . 1 1 43 43 PHE CB C 140 40.150 40.150 39.011 1.139 17752 2711 1 5 . 1 1 43 43 PHE H H 140 7.871 7.871 7.990 -0.119 17752 2712 1 5 . 1 1 44 44 THR N N 141 116.290 116.290 121.374 -5.084 17752 2713 1 5 . 1 1 44 44 THR HA H 141 4.323 4.323 4.374 -0.051 17752 2714 1 5 . 1 1 44 44 THR C C 141 173.009 173.009 173.118 -0.109 17752 2715 1 5 . 1 1 44 44 THR CA C 141 61.830 61.830 61.415 0.415 17752 2716 1 5 . 1 1 44 44 THR CB C 141 70.489 70.489 70.592 -0.103 17752 2717 1 5 . 1 1 44 44 THR H H 141 8.380 8.380 7.864 0.516 17752 2718 1 5 . 1 1 45 45 LEU N N 142 124.270 124.270 126.234 -1.964 17752 2719 1 5 . 1 1 45 45 LEU HA H 142 4.519 4.519 4.136 0.383 17752 2720 1 5 . 1 1 45 45 LEU C C 142 174.651 174.651 175.193 -0.542 17752 2721 1 5 . 1 1 45 45 LEU CA C 142 53.847 53.847 54.254 -0.407 17752 2722 1 5 . 1 1 45 45 LEU CB C 142 44.418 44.418 42.813 1.605 17752 2723 1 5 . 1 1 45 45 LEU H H 142 7.972 7.972 8.623 -0.651 17752 2724 1 5 . 1 1 46 46 LEU N N 143 120.086 120.086 125.726 -5.640 17752 2725 1 5 . 1 1 46 46 LEU HA H 143 4.666 4.666 4.656 0.010 17752 2726 1 5 . 1 1 46 46 LEU C C 143 176.553 176.553 175.874 0.679 17752 2727 1 5 . 1 1 46 46 LEU CA C 143 52.236 52.236 52.744 -0.508 17752 2728 1 5 . 1 1 46 46 LEU CB C 143 44.725 44.725 42.601 2.124 17752 2729 1 5 . 1 1 46 46 LEU H H 143 8.330 8.330 8.137 0.193 17752 2730 1 5 . 1 1 47 47 TYR N N 144 115.644 115.644 119.432 -3.788 17752 2731 1 5 . 1 1 47 47 TYR HA H 144 5.650 5.650 4.861 0.789 17752 2732 1 5 . 1 1 47 47 TYR C C 144 175.013 175.013 174.398 0.615 17752 2733 1 5 . 1 1 47 47 TYR CA C 144 57.301 57.301 55.947 1.354 17752 2734 1 5 . 1 1 47 47 TYR CB C 144 43.200 43.200 41.161 2.039 17752 2735 1 5 . 1 1 47 47 TYR H H 144 8.674 8.674 8.961 -0.287 17752 2736 1 5 . 1 1 48 48 GLU N N 145 120.669 120.669 122.267 -1.598 17752 2737 1 5 . 1 1 48 48 GLU HA H 145 4.835 4.835 4.725 0.110 17752 2738 1 5 . 1 1 48 48 GLU C C 145 173.623 173.623 174.609 -0.986 17752 2739 1 5 . 1 1 48 48 GLU CA C 145 54.810 54.810 54.405 0.405 17752 2740 1 5 . 1 1 48 48 GLU CB C 145 35.923 35.923 33.727 2.196 17752 2741 1 5 . 1 1 48 48 GLU H H 145 8.186 8.186 8.876 -0.690 17752 2742 1 5 . 1 1 49 49 ILE N N 146 118.773 118.773 126.052 -7.279 17752 2743 1 5 . 1 1 49 49 ILE HA H 146 5.069 5.069 5.181 -0.112 17752 2744 1 5 . 1 1 49 49 ILE C C 146 174.840 174.840 174.443 0.397 17752 2745 1 5 . 1 1 49 49 ILE CA C 146 58.375 58.375 59.856 -1.481 17752 2746 1 5 . 1 1 49 49 ILE CB C 146 42.256 42.256 40.258 1.998 17752 2747 1 5 . 1 1 49 49 ILE H H 146 8.707 8.707 9.202 -0.495 17752 2748 1 5 . 1 1 50 50 ARG N N 147 120.594 120.594 126.536 -5.942 17752 2749 1 5 . 1 1 50 50 ARG HA H 147 5.882 5.882 5.608 0.274 17752 2750 1 5 . 1 1 50 50 ARG C C 147 172.997 172.997 174.818 -1.821 17752 2751 1 5 . 1 1 50 50 ARG CA C 147 53.454 53.454 53.218 0.236 17752 2752 1 5 . 1 1 50 50 ARG CB C 147 34.273 34.273 31.536 2.737 17752 2753 1 5 . 1 1 50 50 ARG H H 147 8.922 8.922 8.577 0.345 17752 2754 1 5 . 1 1 51 51 LEU N N 148 119.958 119.958 114.808 5.150 17752 2755 1 5 . 1 1 51 51 LEU HA H 148 6.200 6.200 5.974 0.226 17752 2756 1 5 . 1 1 51 51 LEU C C 148 175.544 175.544 175.324 0.220 17752 2757 1 5 . 1 1 51 51 LEU CA C 148 54.601 54.601 54.338 0.263 17752 2758 1 5 . 1 1 51 51 LEU CB C 148 46.908 46.908 46.763 0.145 17752 2759 1 5 . 1 1 51 51 LEU H H 148 9.242 9.242 9.118 0.124 17752 2760 1 5 . 1 1 52 52 LYS N N 149 116.000 116.000 115.333 0.667 17752 2761 1 5 . 1 1 52 52 LYS HA H 149 4.945 4.945 4.751 0.194 17752 2762 1 5 . 1 1 52 52 LYS C C 149 172.459 172.459 173.255 -0.796 17752 2763 1 5 . 1 1 52 52 LYS CA C 149 54.828 54.828 54.368 0.460 17752 2764 1 5 . 1 1 52 52 LYS CB C 149 32.809 32.809 34.415 -1.606 17752 2765 1 5 . 1 1 52 52 LYS H H 149 8.399 8.399 8.301 0.098 17752 2766 1 5 . 1 1 53 53 PRO HA H 150 4.103 4.103 3.919 0.184 17752 2767 1 5 . 1 1 53 53 PRO C C 150 178.630 178.630 178.165 0.465 17752 2768 1 5 . 1 1 53 53 PRO CA C 150 61.651 61.651 61.787 -0.136 17752 2769 1 5 . 1 1 53 53 PRO CB C 150 31.521 31.521 32.083 -0.562 17752 2770 1 5 . 1 1 54 54 GLU N N 151 125.100 125.100 120.163 4.937 17752 2771 1 5 . 1 1 54 54 GLU HA H 151 3.580 3.580 3.814 -0.234 17752 2772 1 5 . 1 1 54 54 GLU C C 151 176.912 176.912 177.490 -0.578 17752 2773 1 5 . 1 1 54 54 GLU CA C 151 60.163 60.163 59.060 1.103 17752 2774 1 5 . 1 1 54 54 GLU CB C 151 30.024 30.024 28.815 1.209 17752 2775 1 5 . 1 1 54 54 GLU H H 151 8.865 8.865 8.185 0.680 17752 2776 1 5 . 1 1 55 55 LYS N N 152 113.857 113.857 118.280 -4.423 17752 2777 1 5 . 1 1 55 55 LYS HA H 152 4.150 4.150 4.254 -0.104 17752 2778 1 5 . 1 1 55 55 LYS C C 152 176.530 176.530 175.185 1.345 17752 2779 1 5 . 1 1 55 55 LYS CA C 152 56.088 56.088 55.363 0.725 17752 2780 1 5 . 1 1 55 55 LYS CB C 152 31.681 31.681 31.711 -0.030 17752 2781 1 5 . 1 1 55 55 LYS H H 152 8.356 8.356 8.048 0.308 17752 2782 1 5 . 1 1 56 56 ALA N N 153 121.720 121.720 121.699 0.021 17752 2783 1 5 . 1 1 56 56 ALA HA H 153 4.252 4.252 4.535 -0.283 17752 2784 1 5 . 1 1 56 56 ALA C C 153 177.098 177.098 176.385 0.713 17752 2785 1 5 . 1 1 56 56 ALA CA C 153 51.651 51.651 50.832 0.819 17752 2786 1 5 . 1 1 56 56 ALA CB C 153 20.289 20.289 20.654 -0.365 17752 2787 1 5 . 1 1 56 56 ALA H H 153 7.359 7.359 7.223 0.136 17752 2788 1 5 . 1 1 57 57 ALA HA H 154 4.171 4.171 4.178 -0.007 17752 2789 1 5 . 1 1 57 57 ALA C C 154 177.719 177.719 177.211 0.508 17752 2790 1 5 . 1 1 57 57 ALA CA C 154 53.285 53.285 52.885 0.400 17752 2791 1 5 . 1 1 57 57 ALA CB C 154 19.767 19.767 19.009 0.758 17752 2792 1 5 . 1 1 58 58 GLU N N 155 115.658 115.658 117.106 -1.448 17752 2793 1 5 . 1 1 58 58 GLU HA H 155 4.556 4.556 4.362 0.194 17752 2794 1 5 . 1 1 58 58 GLU C C 155 174.857 174.857 175.074 -0.217 17752 2795 1 5 . 1 1 58 58 GLU CA C 155 54.771 54.771 54.709 0.062 17752 2796 1 5 . 1 1 58 58 GLU CB C 155 32.247 32.247 31.101 1.146 17752 2797 1 5 . 1 1 58 58 GLU H H 155 7.527 7.527 7.697 -0.170 17752 2798 1 5 . 1 1 59 59 TRP N N 156 121.007 121.007 120.698 0.309 17752 2799 1 5 . 1 1 59 59 TRP HA H 156 4.334 4.334 4.587 -0.253 17752 2800 1 5 . 1 1 59 59 TRP C C 156 176.227 176.227 176.178 0.049 17752 2801 1 5 . 1 1 59 59 TRP CA C 156 56.986 56.986 56.439 0.547 17752 2802 1 5 . 1 1 59 59 TRP CB C 156 31.064 31.064 30.800 0.264 17752 2803 1 5 . 1 1 59 59 TRP H H 156 8.499 8.499 8.401 0.098 17752 2804 1 5 . 1 1 60 60 GLU N N 157 123.107 123.107 124.391 -1.284 17752 2805 1 5 . 1 1 60 60 GLU HA H 157 4.689 4.689 4.634 0.055 17752 2806 1 5 . 1 1 60 60 GLU C C 157 174.904 174.904 175.580 -0.676 17752 2807 1 5 . 1 1 60 60 GLU CA C 157 55.797 55.797 55.289 0.508 17752 2808 1 5 . 1 1 60 60 GLU CB C 157 31.671 31.671 31.619 0.052 17752 2809 1 5 . 1 1 60 60 GLU H H 157 8.930 8.930 8.936 -0.006 17752 2810 1 5 . 1 1 61 61 ILE N N 158 124.822 124.822 128.272 -3.450 17752 2811 1 5 . 1 1 61 61 ILE HA H 158 4.972 4.972 4.309 0.663 17752 2812 1 5 . 1 1 61 61 ILE C C 158 175.938 175.938 175.626 0.312 17752 2813 1 5 . 1 1 61 61 ILE CA C 158 60.029 60.029 60.586 -0.557 17752 2814 1 5 . 1 1 61 61 ILE CB C 158 39.652 39.652 38.629 1.023 17752 2815 1 5 . 1 1 61 61 ILE H H 158 8.371 8.371 8.699 -0.328 17752 2816 1 5 . 1 1 62 62 HIS N N 159 125.647 125.647 126.536 -0.889 17752 2817 1 5 . 1 1 62 62 HIS HA H 159 4.750 4.750 5.003 -0.253 17752 2818 1 5 . 1 1 62 62 HIS C C 159 173.704 173.704 173.478 0.226 17752 2819 1 5 . 1 1 62 62 HIS CA C 159 54.910 54.910 54.390 0.520 17752 2820 1 5 . 1 1 62 62 HIS CB C 159 34.940 34.940 33.454 1.486 17752 2821 1 5 . 1 1 62 62 HIS H H 159 9.326 9.326 9.387 -0.061 17752 2822 1 5 . 1 1 63 63 PHE N N 160 124.930 124.930 124.606 0.324 17752 2823 1 5 . 1 1 63 63 PHE HA H 160 4.897 4.897 4.624 0.273 17752 2824 1 5 . 1 1 63 63 PHE C C 160 174.606 174.606 175.092 -0.486 17752 2825 1 5 . 1 1 63 63 PHE CA C 160 58.097 58.097 57.789 0.308 17752 2826 1 5 . 1 1 63 63 PHE CB C 160 39.192 39.192 40.477 -1.285 17752 2827 1 5 . 1 1 63 63 PHE H H 160 9.207 9.207 9.035 0.172 17752 2828 1 5 . 1 1 64 64 ALA N N 161 130.696 130.696 129.343 1.353 17752 2829 1 5 . 1 1 64 64 ALA HA H 161 4.645 4.645 4.749 -0.104 17752 2830 1 5 . 1 1 64 64 ALA C C 161 177.327 177.327 177.430 -0.103 17752 2831 1 5 . 1 1 64 64 ALA CA C 161 51.333 51.333 52.581 -1.248 17752 2832 1 5 . 1 1 64 64 ALA CB C 161 19.696 19.696 20.041 -0.345 17752 2833 1 5 . 1 1 64 64 ALA H H 161 8.371 8.371 8.326 0.045 17752 2834 1 5 . 1 1 65 65 GLY N N 162 105.725 105.725 107.220 -1.495 17752 2835 1 5 . 1 1 65 65 GLY C C 162 173.920 173.920 173.818 0.102 17752 2836 1 5 . 1 1 65 65 GLY CA C 162 47.245 47.245 45.533 1.712 17752 2837 1 5 . 1 1 65 65 GLY H H 162 6.059 6.059 7.452 -1.393 17752 2838 1 5 . 1 1 66 66 GLN N N 163 122.418 122.418 122.151 0.267 17752 2839 1 5 . 1 1 66 66 GLN HA H 163 5.120 5.120 4.733 0.387 17752 2840 1 5 . 1 1 66 66 GLN C C 163 176.832 176.832 175.658 1.174 17752 2841 1 5 . 1 1 66 66 GLN CA C 163 55.887 55.887 55.555 0.332 17752 2842 1 5 . 1 1 66 66 GLN CB C 163 30.063 30.063 28.905 1.158 17752 2843 1 5 . 1 1 66 66 GLN H H 163 9.029 9.029 8.662 0.367 17752 2844 1 5 . 1 1 67 67 GLN N N 164 119.220 119.220 119.554 -0.334 17752 2845 1 5 . 1 1 67 67 GLN HA H 164 4.373 4.373 4.344 0.029 17752 2846 1 5 . 1 1 67 67 GLN C C 164 173.020 173.020 175.800 -2.780 17752 2847 1 5 . 1 1 67 67 GLN CA C 164 56.025 56.025 55.955 0.071 17752 2848 1 5 . 1 1 67 67 GLN CB C 164 30.868 30.868 29.378 1.490 17752 2849 1 5 . 1 1 67 67 GLN H H 164 7.746 7.746 7.802 -0.056 17752 2850 1 5 . 1 1 68 68 THR N N 165 104.368 104.368 110.089 -5.721 17752 2851 1 5 . 1 1 68 68 THR HA H 165 3.264 3.264 3.810 -0.546 17752 2852 1 5 . 1 1 68 68 THR C C 165 171.726 171.726 172.896 -1.170 17752 2853 1 5 . 1 1 68 68 THR CA C 165 58.963 58.963 60.879 -1.916 17752 2854 1 5 . 1 1 68 68 THR CB C 165 66.777 66.777 68.359 -1.582 17752 2855 1 5 . 1 1 68 68 THR H H 165 7.716 7.716 8.197 -0.481 17752 2856 1 5 . 1 1 69 69 GLU N N 166 113.260 113.260 118.527 -5.267 17752 2857 1 5 . 1 1 69 69 GLU HA H 166 4.597 4.597 4.709 -0.112 17752 2858 1 5 . 1 1 69 69 GLU C C 166 174.977 174.977 174.794 0.183 17752 2859 1 5 . 1 1 69 69 GLU CA C 166 53.742 53.742 54.068 -0.326 17752 2860 1 5 . 1 1 69 69 GLU CB C 166 33.177 33.177 32.965 0.212 17752 2861 1 5 . 1 1 69 69 GLU H H 166 6.562 6.562 7.423 -0.861 17752 2862 1 5 . 1 1 70 70 PHE N N 167 122.043 122.043 123.870 -1.827 17752 2863 1 5 . 1 1 70 70 PHE HA H 167 4.545 4.545 4.997 -0.452 17752 2864 1 5 . 1 1 70 70 PHE C C 167 172.620 172.620 173.545 -0.925 17752 2865 1 5 . 1 1 70 70 PHE CA C 167 58.957 58.957 56.771 2.186 17752 2866 1 5 . 1 1 70 70 PHE CB C 167 45.667 45.667 43.872 1.795 17752 2867 1 5 . 1 1 70 70 PHE H H 167 9.385 9.385 9.278 0.107 17752 2868 1 5 . 1 1 71 71 LYS N N 168 122.342 122.342 123.482 -1.140 17752 2869 1 5 . 1 1 71 71 LYS HA H 168 5.667 5.667 5.694 -0.027 17752 2870 1 5 . 1 1 71 71 LYS C C 168 174.656 174.656 175.218 -0.562 17752 2871 1 5 . 1 1 71 71 LYS CA C 168 54.701 54.701 54.040 0.661 17752 2872 1 5 . 1 1 71 71 LYS CB C 168 35.338 35.338 35.703 -0.365 17752 2873 1 5 . 1 1 71 71 LYS H H 168 7.129 7.129 7.675 -0.546 17752 2874 1 5 . 1 1 72 72 ILE N N 169 122.191 122.191 123.026 -0.835 17752 2875 1 5 . 1 1 72 72 ILE HA H 169 4.334 4.334 4.230 0.104 17752 2876 1 5 . 1 1 72 72 ILE C C 169 175.258 175.258 175.450 -0.192 17752 2877 1 5 . 1 1 72 72 ILE CA C 169 59.091 59.091 58.971 0.120 17752 2878 1 5 . 1 1 72 72 ILE CB C 169 39.295 39.295 39.390 -0.095 17752 2879 1 5 . 1 1 72 72 ILE H H 169 8.978 8.978 8.696 0.282 17752 2880 1 5 . 1 1 73 73 LEU N N 170 126.298 126.298 125.865 0.433 17752 2881 1 5 . 1 1 73 73 LEU HA H 170 4.647 4.647 4.629 0.018 17752 2882 1 5 . 1 1 73 73 LEU C C 170 176.979 176.979 177.825 -0.846 17752 2883 1 5 . 1 1 73 73 LEU CA C 170 56.171 56.171 55.454 0.717 17752 2884 1 5 . 1 1 73 73 LEU CB C 170 43.187 43.187 42.754 0.433 17752 2885 1 5 . 1 1 73 73 LEU H H 170 8.647 8.647 8.689 -0.042 17752 2886 1 5 . 1 1 74 74 SER N N 171 112.997 112.997 116.102 -3.105 17752 2887 1 5 . 1 1 74 74 SER HA H 171 4.792 4.792 4.477 0.315 17752 2888 1 5 . 1 1 74 74 SER C C 171 172.975 172.975 173.614 -0.639 17752 2889 1 5 . 1 1 74 74 SER CA C 171 57.259 57.259 58.223 -0.964 17752 2890 1 5 . 1 1 74 74 SER CB C 171 62.829 62.829 61.516 1.313 17752 2891 1 5 . 1 1 74 74 SER H H 171 7.438 7.438 8.135 -0.697 17752 2892 1 5 . 1 1 75 75 LEU N N 172 124.862 124.862 125.130 -0.268 17752 2893 1 5 . 1 1 75 75 LEU HA H 172 4.454 4.454 4.660 -0.206 17752 2894 1 5 . 1 1 75 75 LEU C C 172 175.166 175.166 175.464 -0.298 17752 2895 1 5 . 1 1 75 75 LEU CA C 172 53.276 53.276 53.434 -0.159 17752 2896 1 5 . 1 1 75 75 LEU CB C 172 45.925 45.925 45.641 0.284 17752 2897 1 5 . 1 1 75 75 LEU H H 172 7.932 7.932 7.726 0.206 17752 2898 1 5 . 1 1 76 76 HIS N N 173 120.512 120.512 119.727 0.785 17752 2899 1 5 . 1 1 76 76 HIS HA H 173 5.027 5.027 5.070 -0.043 17752 2900 1 5 . 1 1 76 76 HIS C C 173 173.227 173.227 172.923 0.304 17752 2901 1 5 . 1 1 76 76 HIS CA C 173 53.512 53.512 53.087 0.425 17752 2902 1 5 . 1 1 76 76 HIS CB C 173 30.896 30.896 32.152 -1.256 17752 2903 1 5 . 1 1 76 76 HIS H H 173 8.350 8.350 8.719 -0.369 17752 2904 1 5 . 1 1 77 77 PRO HA H 174 4.194 4.194 4.296 -0.102 17752 2905 1 5 . 1 1 77 77 PRO C C 174 178.280 178.280 177.615 0.665 17752 2906 1 5 . 1 1 77 77 PRO CA C 174 63.005 63.005 64.374 -1.369 17752 2907 1 5 . 1 1 77 77 PRO CB C 174 32.946 32.946 31.681 1.265 17752 2908 1 5 . 1 1 78 78 GLY N N 175 109.449 109.449 113.049 -3.600 17752 2909 1 5 . 1 1 78 78 GLY C C 175 173.983 173.983 173.952 0.031 17752 2910 1 5 . 1 1 78 78 GLY CA C 175 46.309 46.309 44.986 1.323 17752 2911 1 5 . 1 1 78 78 GLY H H 175 7.323 7.323 8.562 -1.239 17752 2912 1 5 . 1 1 79 79 GLN N N 176 116.806 116.806 118.398 -1.592 17752 2913 1 5 . 1 1 79 79 GLN HA H 176 4.564 4.564 4.760 -0.196 17752 2914 1 5 . 1 1 79 79 GLN C C 176 174.210 174.210 174.661 -0.451 17752 2915 1 5 . 1 1 79 79 GLN CA C 176 54.321 54.321 53.750 0.571 17752 2916 1 5 . 1 1 79 79 GLN CB C 176 30.805 30.805 32.119 -1.314 17752 2917 1 5 . 1 1 79 79 GLN H H 176 7.122 7.122 7.672 -0.550 17752 2918 1 5 . 1 1 80 80 LYS N N 177 123.628 123.628 123.580 0.048 17752 2919 1 5 . 1 1 80 80 LYS HA H 177 4.989 4.989 4.720 0.269 17752 2920 1 5 . 1 1 80 80 LYS C C 177 175.461 175.461 175.137 0.324 17752 2921 1 5 . 1 1 80 80 LYS CA C 177 55.580 55.580 55.959 -0.379 17752 2922 1 5 . 1 1 80 80 LYS CB C 177 33.369 33.369 33.946 -0.577 17752 2923 1 5 . 1 1 80 80 LYS H H 177 8.679 8.679 8.832 -0.153 17752 2924 1 5 . 1 1 81 81 TYR N N 178 126.820 126.820 124.218 2.602 17752 2925 1 5 . 1 1 81 81 TYR HA H 178 5.084 5.084 4.991 0.093 17752 2926 1 5 . 1 1 81 81 TYR C C 178 174.883 174.883 174.670 0.213 17752 2927 1 5 . 1 1 81 81 TYR CA C 178 57.082 57.082 56.524 0.558 17752 2928 1 5 . 1 1 81 81 TYR CB C 178 41.952 41.952 41.971 -0.019 17752 2929 1 5 . 1 1 81 81 TYR H H 178 9.407 9.407 9.205 0.202 17752 2930 1 5 . 1 1 82 82 LEU N N 179 119.285 119.285 123.173 -3.888 17752 2931 1 5 . 1 1 82 82 LEU HA H 179 4.993 4.993 5.011 -0.018 17752 2932 1 5 . 1 1 82 82 LEU C C 179 176.372 176.372 176.172 0.200 17752 2933 1 5 . 1 1 82 82 LEU CA C 179 54.686 54.686 53.107 1.579 17752 2934 1 5 . 1 1 82 82 LEU CB C 179 45.287 45.287 42.431 2.856 17752 2935 1 5 . 1 1 82 82 LEU H H 179 8.457 8.457 8.570 -0.113 17752 2936 1 5 . 1 1 83 83 VAL N N 180 119.136 119.136 116.337 2.799 17752 2937 1 5 . 1 1 83 83 VAL HA H 180 5.167 5.167 5.171 -0.004 17752 2938 1 5 . 1 1 83 83 VAL C C 180 175.007 175.007 174.564 0.443 17752 2939 1 5 . 1 1 83 83 VAL CA C 180 60.829 60.829 59.564 1.265 17752 2940 1 5 . 1 1 83 83 VAL CB C 180 35.132 35.132 35.363 -0.231 17752 2941 1 5 . 1 1 83 83 VAL H H 180 8.442 8.442 8.861 -0.419 17752 2942 1 5 . 1 1 84 84 GLN N N 181 121.769 121.769 122.349 -0.580 17752 2943 1 5 . 1 1 84 84 GLN HA H 181 4.365 4.365 5.174 -0.809 17752 2944 1 5 . 1 1 84 84 GLN C C 181 172.935 172.935 173.693 -0.758 17752 2945 1 5 . 1 1 84 84 GLN CA C 181 55.052 55.052 54.471 0.580 17752 2946 1 5 . 1 1 84 84 GLN CB C 181 36.079 36.079 33.662 2.417 17752 2947 1 5 . 1 1 84 84 GLN H H 181 8.986 8.986 8.603 0.383 17752 2948 1 5 . 1 1 85 85 VAL N N 182 116.946 116.946 121.965 -5.019 17752 2949 1 5 . 1 1 85 85 VAL HA H 182 5.444 5.444 4.853 0.591 17752 2950 1 5 . 1 1 85 85 VAL C C 182 172.842 172.842 174.425 -1.583 17752 2951 1 5 . 1 1 85 85 VAL CA C 182 59.501 59.501 59.411 0.090 17752 2952 1 5 . 1 1 85 85 VAL CB C 182 35.973 35.973 33.846 2.127 17752 2953 1 5 . 1 1 85 85 VAL H H 182 8.425 8.425 8.438 -0.013 17752 2954 1 5 . 1 1 86 86 ARG N N 183 122.701 122.701 127.342 -4.641 17752 2955 1 5 . 1 1 86 86 ARG HA H 183 4.586 4.586 4.284 0.302 17752 2956 1 5 . 1 1 86 86 ARG C C 183 173.613 173.613 174.183 -0.570 17752 2957 1 5 . 1 1 86 86 ARG CA C 183 54.760 54.760 52.106 2.654 17752 2958 1 5 . 1 1 86 86 ARG CB C 183 33.484 33.484 33.136 0.348 17752 2959 1 5 . 1 1 86 86 ARG H H 183 8.853 8.853 8.802 0.051 17752 2960 1 5 . 1 1 87 87 CYS N N 184 113.995 113.995 118.931 -4.936 17752 2961 1 5 . 1 1 87 87 CYS HA H 184 6.281 6.281 5.273 1.008 17752 2962 1 5 . 1 1 87 87 CYS C C 184 172.060 172.060 174.348 -2.288 17752 2963 1 5 . 1 1 87 87 CYS CA C 184 54.763 54.763 55.049 -0.286 17752 2964 1 5 . 1 1 87 87 CYS CB C 184 34.453 34.453 31.956 2.497 17752 2965 1 5 . 1 1 87 87 CYS H H 184 8.869 8.869 8.229 0.640 17752 2966 1 5 . 1 1 88 88 LYS N N 185 119.231 119.231 121.577 -2.346 17752 2967 1 5 . 1 1 88 88 LYS HA H 185 4.650 4.650 4.953 -0.303 17752 2968 1 5 . 1 1 88 88 LYS C C 185 172.274 172.274 174.111 -1.837 17752 2969 1 5 . 1 1 88 88 LYS CA C 185 53.192 53.192 53.984 -0.792 17752 2970 1 5 . 1 1 88 88 LYS CB C 185 33.530 33.530 31.799 1.731 17752 2971 1 5 . 1 1 88 88 LYS H H 185 8.680 8.680 8.150 0.530 17752 2972 1 5 . 1 1 89 89 PRO HA H 186 4.874 4.874 4.342 0.532 17752 2973 1 5 . 1 1 89 89 PRO C C 186 177.163 177.163 177.218 -0.055 17752 2974 1 5 . 1 1 89 89 PRO CA C 186 60.867 60.867 62.234 -1.367 17752 2975 1 5 . 1 1 89 89 PRO CB C 186 31.041 31.041 32.193 -1.152 17752 2976 1 5 . 1 1 90 90 ASP N N 187 121.615 121.615 118.756 2.859 17752 2977 1 5 . 1 1 90 90 ASP HA H 187 4.571 4.571 3.901 0.670 17752 2978 1 5 . 1 1 90 90 ASP C C 187 176.587 176.587 175.839 0.748 17752 2979 1 5 . 1 1 90 90 ASP CA C 187 56.898 56.898 55.855 1.043 17752 2980 1 5 . 1 1 90 90 ASP CB C 187 40.161 40.161 40.301 -0.140 17752 2981 1 5 . 1 1 90 90 ASP H H 187 8.377 8.377 8.685 -0.308 17752 2982 1 5 . 1 1 91 91 HIS N N 188 115.767 115.767 116.178 -0.411 17752 2983 1 5 . 1 1 91 91 HIS HA H 188 4.487 4.487 4.601 -0.114 17752 2984 1 5 . 1 1 91 91 HIS C C 188 174.877 174.877 174.519 0.358 17752 2985 1 5 . 1 1 91 91 HIS CA C 188 56.060 56.060 55.553 0.507 17752 2986 1 5 . 1 1 91 91 HIS CB C 188 29.064 29.064 30.875 -1.811 17752 2987 1 5 . 1 1 91 91 HIS H H 188 8.020 8.020 7.745 0.275 17752 2988 1 5 . 1 1 92 92 GLY N N 189 108.492 108.492 106.641 1.851 17752 2989 1 5 . 1 1 92 92 GLY C C 189 171.977 171.977 172.785 -0.808 17752 2990 1 5 . 1 1 92 92 GLY CA C 189 44.356 44.356 45.041 -0.685 17752 2991 1 5 . 1 1 92 92 GLY H H 189 7.648 7.648 7.184 0.464 17752 2992 1 5 . 1 1 93 93 TYR N N 190 120.823 120.823 121.297 -0.474 17752 2993 1 5 . 1 1 93 93 TYR HA H 190 4.589 4.589 4.305 0.284 17752 2994 1 5 . 1 1 93 93 TYR C C 190 174.685 174.685 176.028 -1.343 17752 2995 1 5 . 1 1 93 93 TYR CA C 190 55.924 55.924 57.820 -1.896 17752 2996 1 5 . 1 1 93 93 TYR CB C 190 40.462 40.462 39.480 0.982 17752 2997 1 5 . 1 1 93 93 TYR H H 190 8.265 8.265 7.948 0.317 17752 2998 1 5 . 1 1 94 94 TRP N N 191 117.501 117.501 120.905 -3.404 17752 2999 1 5 . 1 1 94 94 TRP HA H 191 4.399 4.399 4.928 -0.529 17752 3000 1 5 . 1 1 94 94 TRP C C 191 178.522 178.522 175.075 3.447 17752 3001 1 5 . 1 1 94 94 TRP CA C 191 57.620 57.620 55.690 1.930 17752 3002 1 5 . 1 1 94 94 TRP CB C 191 30.530 30.530 30.070 0.461 17752 3003 1 5 . 1 1 94 94 TRP H H 191 7.637 7.637 8.179 -0.542 17752 3004 1 5 . 1 1 95 95 SER N N 192 117.327 117.327 118.703 -1.376 17752 3005 1 5 . 1 1 95 95 SER HA H 192 4.314 4.314 4.393 -0.079 17752 3006 1 5 . 1 1 95 95 SER C C 192 173.924 173.924 173.874 0.050 17752 3007 1 5 . 1 1 95 95 SER CA C 192 57.840 57.840 58.219 -0.379 17752 3008 1 5 . 1 1 95 95 SER CB C 192 67.312 67.312 63.825 3.487 17752 3009 1 5 . 1 1 95 95 SER H H 192 9.755 9.755 8.857 0.898 17752 3010 1 5 . 1 1 96 96 ALA N N 193 120.747 120.747 123.062 -2.315 17752 3011 1 5 . 1 1 96 96 ALA HA H 193 4.134 4.134 4.908 -0.774 17752 3012 1 5 . 1 1 96 96 ALA C C 193 178.311 178.311 175.090 3.221 17752 3013 1 5 . 1 1 96 96 ALA CA C 193 52.387 52.387 51.691 0.695 17752 3014 1 5 . 1 1 96 96 ALA CB C 193 18.821 18.821 20.542 -1.721 17752 3015 1 5 . 1 1 96 96 ALA H H 193 8.824 8.824 7.554 1.270 17752 3016 1 5 . 1 1 97 97 TRP N N 194 120.634 120.634 119.643 0.991 17752 3017 1 5 . 1 1 97 97 TRP HA H 194 4.314 4.314 5.130 -0.816 17752 3018 1 5 . 1 1 97 97 TRP C C 194 177.944 177.944 175.590 2.354 17752 3019 1 5 . 1 1 97 97 TRP CA C 194 57.825 57.825 56.815 1.010 17752 3020 1 5 . 1 1 97 97 TRP CB C 194 29.702 29.702 31.238 -1.536 17752 3021 1 5 . 1 1 97 97 TRP H H 194 8.118 8.118 8.960 -0.842 17752 3022 1 5 . 1 1 98 98 SER N N 195 118.649 118.649 114.227 4.422 17752 3023 1 5 . 1 1 98 98 SER HA H 195 4.372 4.372 4.753 -0.381 17752 3024 1 5 . 1 1 98 98 SER C C 195 170.132 170.132 172.847 -2.715 17752 3025 1 5 . 1 1 98 98 SER CA C 195 57.851 57.851 58.895 -1.044 17752 3026 1 5 . 1 1 98 98 SER CB C 195 62.213 62.213 62.737 -0.524 17752 3027 1 5 . 1 1 98 98 SER H H 195 9.327 9.327 8.602 0.725 17752 3028 1 5 . 1 1 99 99 PRO HA H 196 4.585 4.585 4.564 0.022 17752 3029 1 5 . 1 1 99 99 PRO C C 196 178.242 178.242 174.991 3.251 17752 3030 1 5 . 1 1 99 99 PRO CA C 196 63.403 63.403 62.112 1.291 17752 3031 1 5 . 1 1 99 99 PRO CB C 196 31.405 31.405 30.847 0.558 17752 3032 1 5 . 1 1 100 100 ALA N N 197 127.219 127.219 128.117 -0.898 17752 3033 1 5 . 1 1 100 100 ALA HA H 197 4.680 4.680 4.869 -0.189 17752 3034 1 5 . 1 1 100 100 ALA C C 197 178.043 178.043 177.101 0.942 17752 3035 1 5 . 1 1 100 100 ALA CA C 197 52.309 52.309 50.862 1.447 17752 3036 1 5 . 1 1 100 100 ALA CB C 197 18.973 18.973 19.064 -0.091 17752 3037 1 5 . 1 1 100 100 ALA H H 197 9.001 9.001 7.930 1.071 17752 3038 1 5 . 1 1 101 101 THR N N 198 118.178 118.178 121.181 -3.003 17752 3039 1 5 . 1 1 101 101 THR HA H 198 4.598 4.598 4.669 -0.071 17752 3040 1 5 . 1 1 101 101 THR C C 198 172.242 172.242 173.718 -1.476 17752 3041 1 5 . 1 1 101 101 THR CA C 198 61.440 61.440 61.802 -0.362 17752 3042 1 5 . 1 1 101 101 THR CB C 198 70.945 70.945 70.243 0.702 17752 3043 1 5 . 1 1 101 101 THR H H 198 8.617 8.617 8.617 0.000 17752 3044 1 5 . 1 1 102 102 PHE N N 199 123.141 123.141 125.684 -2.543 17752 3045 1 5 . 1 1 102 102 PHE HA H 199 5.867 5.867 4.903 0.964 17752 3046 1 5 . 1 1 102 102 PHE C C 199 175.273 175.273 175.595 -0.322 17752 3047 1 5 . 1 1 102 102 PHE CA C 199 55.877 55.877 57.524 -1.647 17752 3048 1 5 . 1 1 102 102 PHE CB C 199 42.052 42.052 39.972 2.080 17752 3049 1 5 . 1 1 102 102 PHE H H 199 8.419 8.419 9.008 -0.589 17752 3050 1 5 . 1 1 103 103 ILE N N 200 118.251 118.251 125.189 -6.938 17752 3051 1 5 . 1 1 103 103 ILE HA H 200 4.674 4.674 4.597 0.077 17752 3052 1 5 . 1 1 103 103 ILE C C 200 171.732 171.732 174.092 -2.360 17752 3053 1 5 . 1 1 103 103 ILE CA C 200 58.046 58.046 59.143 -1.097 17752 3054 1 5 . 1 1 103 103 ILE CB C 200 41.631 41.631 42.398 -0.767 17752 3055 1 5 . 1 1 103 103 ILE H H 200 8.940 8.940 9.123 -0.183 17752 3056 1 5 . 1 1 104 104 GLN N N 201 127.961 127.961 126.954 1.007 17752 3057 1 5 . 1 1 104 104 GLN HA H 201 4.592 4.592 4.583 0.009 17752 3058 1 5 . 1 1 104 104 GLN C C 201 174.363 174.363 175.013 -0.650 17752 3059 1 5 . 1 1 104 104 GLN CA C 201 54.484 54.484 53.835 0.649 17752 3060 1 5 . 1 1 104 104 GLN CB C 201 29.320 29.320 29.771 -0.451 17752 3061 1 5 . 1 1 104 104 GLN H H 201 8.641 8.641 8.587 0.054 17752 3062 1 5 . 1 1 105 105 ILE N N 202 129.177 129.177 127.089 2.088 17752 3063 1 5 . 1 1 105 105 ILE HA H 202 4.406 4.406 4.352 0.054 17752 3064 1 5 . 1 1 105 105 ILE C C 202 175.609 175.609 175.128 0.481 17752 3065 1 5 . 1 1 105 105 ILE CA C 202 56.023 56.023 57.638 -1.615 17752 3066 1 5 . 1 1 105 105 ILE CB C 202 35.689 35.689 37.249 -1.560 17752 3067 1 5 . 1 1 105 105 ILE H H 202 8.676 8.676 8.561 0.115 17752 3068 1 5 . 1 1 106 106 PRO HA H 203 4.578 4.578 4.553 0.025 17752 3069 1 5 . 1 1 106 106 PRO CB C 203 33.030 33.030 32.274 0.756 17752 3070 1 5 . 1 1 107 107 SER N N 204 115.204 115.204 115.196 0.008 17752 3071 1 5 . 1 1 107 107 SER HA H 204 4.108 4.108 4.276 -0.168 17752 3072 1 5 . 1 1 107 107 SER C C 204 173.757 173.757 174.945 -1.188 17752 3073 1 5 . 1 1 107 107 SER CA C 204 60.355 60.355 60.900 -0.545 17752 3074 1 5 . 1 1 107 107 SER CB C 204 63.094 63.094 63.217 -0.123 17752 3075 1 5 . 1 1 107 107 SER H H 204 7.914 7.914 8.719 -0.805 17752 3076 1 5 . 1 1 108 108 ASP N N 205 118.737 118.737 119.450 -0.713 17752 3077 1 5 . 1 1 108 108 ASP HA H 205 4.659 4.659 4.544 0.115 17752 3078 1 5 . 1 1 108 108 ASP C C 205 175.704 175.704 176.222 -0.518 17752 3079 1 5 . 1 1 108 108 ASP CA C 205 53.229 53.229 54.609 -1.380 17752 3080 1 5 . 1 1 108 108 ASP CB C 205 40.152 40.152 41.254 -1.102 17752 3081 1 5 . 1 1 108 108 ASP H H 205 8.244 8.244 8.201 0.043 17752 3082 1 5 . 1 1 109 109 PHE N N 206 120.285 120.285 120.429 -0.144 17752 3083 1 5 . 1 1 109 109 PHE HA H 206 4.411 4.411 4.341 0.070 17752 3084 1 5 . 1 1 109 109 PHE C C 206 174.781 174.781 174.278 0.503 17752 3085 1 5 . 1 1 109 109 PHE CA C 206 58.706 58.706 59.364 -0.658 17752 3086 1 5 . 1 1 109 109 PHE CB C 206 40.075 40.075 39.977 0.098 17752 3087 1 5 . 1 1 109 109 PHE H H 206 7.595 7.595 7.365 0.230 17752 3088 1 5 . 1 1 110 110 THR N N 207 115.253 115.253 116.966 -1.713 17752 3089 1 5 . 1 1 110 110 THR HA H 207 4.294 4.294 4.539 -0.245 17752 3090 1 5 . 1 1 110 110 THR C C 207 173.714 173.714 173.467 0.247 17752 3091 1 5 . 1 1 110 110 THR CA C 207 61.742 61.742 60.602 1.140 17752 3092 1 5 . 1 1 110 110 THR CB C 207 70.070 70.070 70.904 -0.834 17752 3093 1 5 . 1 1 110 110 THR H H 207 7.812 7.812 7.495 0.317 17752 3094 1 5 . 1 1 111 111 MET N N 208 122.575 122.575 123.922 -1.347 17752 3095 1 5 . 1 1 111 111 MET HA H 208 4.555 4.555 4.656 -0.101 17752 3096 1 5 . 1 1 111 111 MET C C 208 175.656 175.656 175.630 0.026 17752 3097 1 5 . 1 1 111 111 MET CA C 208 55.451 55.451 57.110 -1.659 17752 3098 1 5 . 1 1 111 111 MET CB C 208 33.175 33.175 32.268 0.907 17752 3099 1 5 . 1 1 111 111 MET H H 208 8.391 8.391 8.686 -0.295 17752 3100 1 5 . 1 1 112 112 ASN N N 209 120.351 120.351 117.782 2.569 17752 3101 1 5 . 1 1 112 112 ASN HA H 209 4.785 4.785 4.431 0.354 17752 3102 1 5 . 1 1 112 112 ASN C C 209 173.846 173.846 173.845 0.001 17752 3103 1 5 . 1 1 112 112 ASN CA C 209 53.341 53.341 54.486 -1.145 17752 3104 1 5 . 1 1 112 112 ASN CB C 209 39.600 39.600 37.227 2.373 17752 3105 1 5 . 1 1 112 112 ASN H H 209 8.442 8.442 8.882 -0.440 17752 3106 1 6 . 1 1 2 2 TYR HA H 99 4.624 4.624 4.947 -0.323 17752 3107 1 6 . 1 1 2 2 TYR C C 99 174.994 174.994 176.346 -1.352 17752 3108 1 6 . 1 1 2 2 TYR CA C 99 57.524 57.524 59.206 -1.682 17752 3109 1 6 . 1 1 2 2 TYR CB C 99 38.543 38.543 39.305 -0.762 17752 3110 1 6 . 1 1 3 3 ILE N N 100 124.242 124.242 114.154 10.088 17752 3111 1 6 . 1 1 3 3 ILE HA H 100 4.058 4.058 3.962 0.096 17752 3112 1 6 . 1 1 3 3 ILE C C 100 174.994 174.994 173.041 1.953 17752 3113 1 6 . 1 1 3 3 ILE CA C 100 60.621 60.621 61.222 -0.602 17752 3114 1 6 . 1 1 3 3 ILE CB C 100 38.685 38.685 39.494 -0.809 17752 3115 1 6 . 1 1 3 3 ILE H H 100 8.034 8.034 7.422 0.612 17752 3116 1 6 . 1 1 4 4 VAL N N 101 123.770 123.770 119.324 4.446 17752 3117 1 6 . 1 1 4 4 VAL HA H 101 4.024 4.024 4.169 -0.145 17752 3118 1 6 . 1 1 4 4 VAL C C 101 174.457 174.457 174.568 -0.111 17752 3119 1 6 . 1 1 4 4 VAL CA C 101 62.142 62.142 61.539 0.603 17752 3120 1 6 . 1 1 4 4 VAL CB C 101 32.961 32.961 32.853 0.108 17752 3121 1 6 . 1 1 4 4 VAL H H 101 7.858 7.858 7.438 0.420 17752 3122 1 6 . 1 1 5 5 GLN N N 102 124.937 124.937 123.306 1.631 17752 3123 1 6 . 1 1 5 5 GLN HA H 102 4.859 4.859 4.762 0.097 17752 3124 1 6 . 1 1 5 5 GLN C C 102 173.189 173.189 173.729 -0.540 17752 3125 1 6 . 1 1 5 5 GLN CA C 102 52.458 52.458 52.217 0.241 17752 3126 1 6 . 1 1 5 5 GLN CB C 102 30.185 30.185 30.996 -0.811 17752 3127 1 6 . 1 1 5 5 GLN H H 102 8.269 8.269 8.478 -0.209 17752 3128 1 6 . 1 1 6 6 PRO HA H 103 4.533 4.533 4.406 0.127 17752 3129 1 6 . 1 1 6 6 PRO C C 103 175.646 175.646 175.468 0.178 17752 3130 1 6 . 1 1 6 6 PRO CA C 103 62.290 62.290 63.821 -1.530 17752 3131 1 6 . 1 1 6 6 PRO CB C 103 31.983 31.983 30.573 1.410 17752 3132 1 6 . 1 1 7 7 ASP N N 104 120.340 120.340 121.955 -1.615 17752 3133 1 6 . 1 1 7 7 ASP HA H 104 4.851 4.851 5.011 -0.160 17752 3134 1 6 . 1 1 7 7 ASP C C 104 171.565 171.565 174.165 -2.600 17752 3135 1 6 . 1 1 7 7 ASP CA C 104 53.742 53.742 50.950 2.792 17752 3136 1 6 . 1 1 7 7 ASP CB C 104 40.258 40.258 42.483 -2.225 17752 3137 1 6 . 1 1 7 7 ASP H H 104 7.897 7.897 8.177 -0.280 17752 3138 1 6 . 1 1 9 9 PRO HA H 106 4.332 4.332 4.661 -0.329 17752 3139 1 6 . 1 1 9 9 PRO C C 106 174.091 174.091 176.126 -2.035 17752 3140 1 6 . 1 1 9 9 PRO CA C 106 62.569 62.569 62.964 -0.395 17752 3141 1 6 . 1 1 9 9 PRO CB C 106 32.391 32.391 32.549 -0.158 17752 3142 1 6 . 1 1 10 10 LEU N N 107 118.910 118.910 118.116 0.794 17752 3143 1 6 . 1 1 10 10 LEU HA H 107 4.642 4.642 4.933 -0.291 17752 3144 1 6 . 1 1 10 10 LEU C C 107 175.964 175.964 176.048 -0.084 17752 3145 1 6 . 1 1 10 10 LEU CA C 107 53.919 53.919 53.152 0.767 17752 3146 1 6 . 1 1 10 10 LEU CB C 107 46.315 46.315 44.839 1.476 17752 3147 1 6 . 1 1 10 10 LEU H H 107 7.793 7.793 8.321 -0.528 17752 3148 1 6 . 1 1 11 11 GLU N N 108 113.307 113.307 115.474 -2.167 17752 3149 1 6 . 1 1 11 11 GLU HA H 108 3.805 3.805 3.962 -0.157 17752 3150 1 6 . 1 1 11 11 GLU C C 108 175.118 175.118 175.038 0.080 17752 3151 1 6 . 1 1 11 11 GLU CA C 108 56.418 56.418 57.052 -0.634 17752 3152 1 6 . 1 1 11 11 GLU CB C 108 27.789 27.789 27.995 -0.206 17752 3153 1 6 . 1 1 11 11 GLU H H 108 8.539 8.539 8.707 -0.168 17752 3154 1 6 . 1 1 12 12 LEU N N 109 120.420 120.420 120.876 -0.456 17752 3155 1 6 . 1 1 12 12 LEU HA H 109 4.903 4.903 4.513 0.390 17752 3156 1 6 . 1 1 12 12 LEU C C 109 176.238 176.238 175.933 0.305 17752 3157 1 6 . 1 1 12 12 LEU CA C 109 56.228 56.228 54.956 1.272 17752 3158 1 6 . 1 1 12 12 LEU CB C 109 42.021 42.021 41.760 0.261 17752 3159 1 6 . 1 1 12 12 LEU H H 109 8.053 8.053 7.867 0.186 17752 3160 1 6 . 1 1 13 13 ALA N N 110 132.286 132.286 131.777 0.509 17752 3161 1 6 . 1 1 13 13 ALA HA H 110 4.833 4.833 4.719 0.114 17752 3162 1 6 . 1 1 13 13 ALA C C 110 175.560 175.560 175.512 0.048 17752 3163 1 6 . 1 1 13 13 ALA CA C 110 51.152 51.152 51.134 0.018 17752 3164 1 6 . 1 1 13 13 ALA CB C 110 21.788 21.788 20.480 1.308 17752 3165 1 6 . 1 1 13 13 ALA H H 110 9.653 9.653 9.150 0.503 17752 3166 1 6 . 1 1 14 14 VAL N N 111 116.305 116.305 124.116 -7.811 17752 3167 1 6 . 1 1 14 14 VAL HA H 111 5.293 5.293 4.849 0.444 17752 3168 1 6 . 1 1 14 14 VAL C C 111 174.459 174.459 175.338 -0.879 17752 3169 1 6 . 1 1 14 14 VAL CA C 111 59.146 59.146 60.814 -1.668 17752 3170 1 6 . 1 1 14 14 VAL CB C 111 35.256 35.256 32.923 2.333 17752 3171 1 6 . 1 1 14 14 VAL H H 111 8.477 8.477 8.536 -0.059 17752 3172 1 6 . 1 1 15 15 GLU N N 112 122.235 122.235 127.991 -5.756 17752 3173 1 6 . 1 1 15 15 GLU HA H 112 4.659 4.659 4.702 -0.043 17752 3174 1 6 . 1 1 15 15 GLU C C 112 174.581 174.581 174.655 -0.074 17752 3175 1 6 . 1 1 15 15 GLU CA C 112 55.224 55.224 54.207 1.017 17752 3176 1 6 . 1 1 15 15 GLU CB C 112 34.744 34.744 34.025 0.719 17752 3177 1 6 . 1 1 15 15 GLU H H 112 8.947 8.947 9.149 -0.202 17752 3178 1 6 . 1 1 16 16 VAL N N 113 124.568 124.568 126.104 -1.536 17752 3179 1 6 . 1 1 16 16 VAL HA H 113 4.441 4.441 3.979 0.462 17752 3180 1 6 . 1 1 16 16 VAL C C 113 175.480 175.480 175.209 0.271 17752 3181 1 6 . 1 1 16 16 VAL CA C 113 62.281 62.281 62.638 -0.357 17752 3182 1 6 . 1 1 16 16 VAL CB C 113 31.565 31.565 32.467 -0.901 17752 3183 1 6 . 1 1 16 16 VAL H H 113 9.044 9.044 8.595 0.449 17752 3184 1 6 . 1 1 17 17 LYS N N 114 128.676 128.676 128.808 -0.132 17752 3185 1 6 . 1 1 17 17 LYS HA H 114 4.403 4.403 4.531 -0.128 17752 3186 1 6 . 1 1 17 17 LYS C C 114 174.547 174.547 174.719 -0.172 17752 3187 1 6 . 1 1 17 17 LYS CA C 114 53.518 53.518 53.922 -0.404 17752 3188 1 6 . 1 1 17 17 LYS CB C 114 32.995 32.995 34.065 -1.070 17752 3189 1 6 . 1 1 17 17 LYS H H 114 8.788 8.788 8.772 0.016 17752 3190 1 6 . 1 1 18 18 GLN N N 115 119.854 119.854 122.559 -2.705 17752 3191 1 6 . 1 1 18 18 GLN HA H 115 4.691 4.691 4.598 0.093 17752 3192 1 6 . 1 1 18 18 GLN C C 115 172.587 172.587 173.616 -1.029 17752 3193 1 6 . 1 1 18 18 GLN CA C 115 52.787 52.787 53.589 -0.802 17752 3194 1 6 . 1 1 18 18 GLN CB C 115 30.109 30.109 29.729 0.380 17752 3195 1 6 . 1 1 18 18 GLN H H 115 8.537 8.537 8.485 0.052 17752 3196 1 6 . 1 1 19 19 PRO HA H 116 4.526 4.526 4.589 -0.063 17752 3197 1 6 . 1 1 19 19 PRO C C 116 176.958 176.958 176.527 0.431 17752 3198 1 6 . 1 1 19 19 PRO CA C 116 62.106 62.106 62.353 -0.247 17752 3199 1 6 . 1 1 19 19 PRO CB C 116 32.375 32.375 32.714 -0.339 17752 3200 1 6 . 1 1 20 20 GLU N N 117 119.774 119.774 120.468 -0.694 17752 3201 1 6 . 1 1 20 20 GLU HA H 117 4.079 4.079 4.127 -0.048 17752 3202 1 6 . 1 1 20 20 GLU C C 117 176.961 176.961 176.746 0.215 17752 3203 1 6 . 1 1 20 20 GLU CA C 117 58.256 58.256 58.307 -0.051 17752 3204 1 6 . 1 1 20 20 GLU CB C 117 29.653 29.653 29.953 -0.299 17752 3205 1 6 . 1 1 20 20 GLU H H 117 8.806 8.806 8.640 0.166 17752 3206 1 6 . 1 1 21 21 ASP N N 118 116.513 116.513 116.996 -0.483 17752 3207 1 6 . 1 1 21 21 ASP HA H 118 4.482 4.482 4.650 -0.168 17752 3208 1 6 . 1 1 21 21 ASP C C 118 175.271 175.271 175.980 -0.709 17752 3209 1 6 . 1 1 21 21 ASP CA C 118 54.231 54.231 54.103 0.128 17752 3210 1 6 . 1 1 21 21 ASP CB C 118 40.460 40.460 41.357 -0.897 17752 3211 1 6 . 1 1 21 21 ASP H H 118 8.449 8.449 8.175 0.274 17752 3212 1 6 . 1 1 22 22 ARG N N 119 115.342 115.342 119.904 -4.562 17752 3213 1 6 . 1 1 22 22 ARG HA H 119 4.491 4.491 4.469 0.022 17752 3214 1 6 . 1 1 22 22 ARG C C 119 174.745 174.745 174.948 -0.203 17752 3215 1 6 . 1 1 22 22 ARG CA C 119 54.806 54.806 54.630 0.176 17752 3216 1 6 . 1 1 22 22 ARG CB C 119 32.004 32.004 32.444 -0.440 17752 3217 1 6 . 1 1 22 22 ARG H H 119 7.448 7.448 7.660 -0.212 17752 3218 1 6 . 1 1 23 23 LYS N N 120 119.981 119.981 121.556 -1.575 17752 3219 1 6 . 1 1 23 23 LYS HA H 120 4.489 4.489 4.458 0.031 17752 3220 1 6 . 1 1 23 23 LYS C C 120 173.641 173.641 175.557 -1.916 17752 3221 1 6 . 1 1 23 23 LYS CA C 120 54.621 54.621 54.948 -0.327 17752 3222 1 6 . 1 1 23 23 LYS CB C 120 31.611 31.611 32.173 -0.562 17752 3223 1 6 . 1 1 23 23 LYS H H 120 7.982 7.982 8.224 -0.242 17752 3224 1 6 . 1 1 24 24 PRO HA H 121 4.813 4.813 4.489 0.324 17752 3225 1 6 . 1 1 24 24 PRO C C 121 174.901 174.901 175.404 -0.503 17752 3226 1 6 . 1 1 24 24 PRO CA C 121 62.720 62.720 62.984 -0.264 17752 3227 1 6 . 1 1 24 24 PRO CB C 121 33.066 33.066 31.852 1.214 17752 3228 1 6 . 1 1 25 25 TYR N N 122 111.573 111.573 119.240 -7.667 17752 3229 1 6 . 1 1 25 25 TYR HA H 122 5.134 5.134 5.268 -0.134 17752 3230 1 6 . 1 1 25 25 TYR C C 122 172.672 172.672 173.260 -0.588 17752 3231 1 6 . 1 1 25 25 TYR CA C 122 55.650 55.650 55.699 -0.049 17752 3232 1 6 . 1 1 25 25 TYR CB C 122 40.394 40.394 40.948 -0.554 17752 3233 1 6 . 1 1 25 25 TYR H H 122 8.287 8.287 8.572 -0.285 17752 3234 1 6 . 1 1 26 26 LEU N N 123 120.288 120.288 121.928 -1.640 17752 3235 1 6 . 1 1 26 26 LEU HA H 123 4.907 4.907 4.571 0.336 17752 3236 1 6 . 1 1 26 26 LEU C C 123 174.277 174.277 175.535 -1.258 17752 3237 1 6 . 1 1 26 26 LEU CA C 123 53.789 53.789 54.463 -0.674 17752 3238 1 6 . 1 1 26 26 LEU CB C 123 44.717 44.717 44.026 0.691 17752 3239 1 6 . 1 1 26 26 LEU H H 123 9.073 9.073 8.734 0.339 17752 3240 1 6 . 1 1 27 27 TRP N N 124 130.187 130.187 131.717 -1.530 17752 3241 1 6 . 1 1 27 27 TRP HA H 124 5.555 5.555 5.371 0.184 17752 3242 1 6 . 1 1 27 27 TRP C C 124 173.810 173.810 174.386 -0.576 17752 3243 1 6 . 1 1 27 27 TRP CA C 124 55.161 55.161 54.545 0.616 17752 3244 1 6 . 1 1 27 27 TRP CB C 124 31.383 31.383 30.598 0.785 17752 3245 1 6 . 1 1 27 27 TRP H H 124 9.628 9.628 9.217 0.411 17752 3246 1 6 . 1 1 28 28 ILE N N 125 128.941 128.941 129.584 -0.643 17752 3247 1 6 . 1 1 28 28 ILE HA H 125 4.814 4.814 4.651 0.163 17752 3248 1 6 . 1 1 28 28 ILE C C 125 173.004 173.004 173.917 -0.913 17752 3249 1 6 . 1 1 28 28 ILE CA C 125 60.152 60.152 60.150 0.002 17752 3250 1 6 . 1 1 28 28 ILE CB C 125 41.018 41.018 39.754 1.264 17752 3251 1 6 . 1 1 28 28 ILE H H 125 8.867 8.867 9.288 -0.421 17752 3252 1 6 . 1 1 29 29 LYS N N 126 124.705 124.705 127.620 -2.915 17752 3253 1 6 . 1 1 29 29 LYS HA H 126 4.553 4.553 4.714 -0.161 17752 3254 1 6 . 1 1 29 29 LYS C C 126 173.764 173.764 174.473 -0.709 17752 3255 1 6 . 1 1 29 29 LYS CA C 126 55.137 55.137 54.052 1.085 17752 3256 1 6 . 1 1 29 29 LYS CB C 126 35.952 35.952 35.504 0.448 17752 3257 1 6 . 1 1 29 29 LYS H H 126 8.789 8.789 8.769 0.020 17752 3258 1 6 . 1 1 30 30 TRP N N 127 118.127 118.127 125.656 -7.529 17752 3259 1 6 . 1 1 30 30 TRP HA H 127 5.010 5.010 5.541 -0.531 17752 3260 1 6 . 1 1 30 30 TRP C C 127 173.354 173.354 175.008 -1.654 17752 3261 1 6 . 1 1 30 30 TRP CA C 127 57.079 57.079 54.508 2.571 17752 3262 1 6 . 1 1 30 30 TRP CB C 127 29.480 29.480 31.535 -2.055 17752 3263 1 6 . 1 1 30 30 TRP H H 127 7.408 7.408 6.998 0.410 17752 3264 1 6 . 1 1 31 31 SER N N 128 113.791 113.791 117.108 -3.317 17752 3265 1 6 . 1 1 31 31 SER HA H 128 5.137 5.137 4.927 0.210 17752 3266 1 6 . 1 1 31 31 SER C C 128 171.258 171.258 173.003 -1.745 17752 3267 1 6 . 1 1 31 31 SER CA C 128 55.299 55.299 55.059 0.240 17752 3268 1 6 . 1 1 31 31 SER CB C 128 63.849 63.849 65.366 -1.517 17752 3269 1 6 . 1 1 31 31 SER H H 128 8.972 8.972 9.193 -0.221 17752 3270 1 6 . 1 1 32 32 PRO HA H 129 4.953 4.953 4.812 0.141 17752 3271 1 6 . 1 1 33 33 PRO HA H 130 4.515 4.515 4.457 0.058 17752 3272 1 6 . 1 1 33 33 PRO C C 130 176.322 176.322 177.192 -0.870 17752 3273 1 6 . 1 1 33 33 PRO CA C 130 62.668 62.668 63.364 -0.696 17752 3274 1 6 . 1 1 33 33 PRO CB C 130 32.077 32.077 32.265 -0.188 17752 3275 1 6 . 1 1 34 34 THR N N 131 113.844 113.844 113.706 0.138 17752 3276 1 6 . 1 1 34 34 THR HA H 131 4.147 4.147 4.195 -0.048 17752 3277 1 6 . 1 1 34 34 THR C C 131 174.576 174.576 174.954 -0.378 17752 3278 1 6 . 1 1 34 34 THR CA C 131 62.833 62.833 62.306 0.527 17752 3279 1 6 . 1 1 34 34 THR CB C 131 69.346 69.346 69.263 0.083 17752 3280 1 6 . 1 1 34 34 THR H H 131 8.128 8.128 8.227 -0.099 17752 3281 1 6 . 1 1 35 35 LEU N N 132 125.831 125.831 121.675 4.156 17752 3282 1 6 . 1 1 35 35 LEU HA H 132 4.432 4.432 4.059 0.373 17752 3283 1 6 . 1 1 35 35 LEU C C 132 176.794 176.794 176.760 0.034 17752 3284 1 6 . 1 1 35 35 LEU CA C 132 54.799 54.799 55.339 -0.540 17752 3285 1 6 . 1 1 35 35 LEU CB C 132 42.344 42.344 40.248 2.096 17752 3286 1 6 . 1 1 35 35 LEU H H 132 8.336 8.336 8.712 -0.376 17752 3287 1 6 . 1 1 36 36 ILE N N 133 121.733 121.733 118.865 2.868 17752 3288 1 6 . 1 1 36 36 ILE HA H 133 4.070 4.070 4.316 -0.246 17752 3289 1 6 . 1 1 36 36 ILE C C 133 175.690 175.690 176.534 -0.844 17752 3290 1 6 . 1 1 36 36 ILE CA C 133 61.695 61.695 61.998 -0.303 17752 3291 1 6 . 1 1 36 36 ILE CB C 133 38.553 38.553 39.120 -0.567 17752 3292 1 6 . 1 1 36 36 ILE H H 133 8.054 8.054 8.106 -0.052 17752 3293 1 6 . 1 1 37 37 ASP N N 134 121.852 121.852 119.988 1.864 17752 3294 1 6 . 1 1 37 37 ASP HA H 134 4.573 4.573 4.391 0.182 17752 3295 1 6 . 1 1 37 37 ASP C C 134 176.011 176.011 176.030 -0.019 17752 3296 1 6 . 1 1 37 37 ASP CA C 134 54.346 54.346 54.365 -0.019 17752 3297 1 6 . 1 1 37 37 ASP CB C 134 41.096 41.096 40.937 0.160 17752 3298 1 6 . 1 1 37 37 ASP H H 134 8.254 8.254 8.211 0.043 17752 3299 1 6 . 1 1 38 38 LEU N N 135 122.044 122.044 123.149 -1.105 17752 3300 1 6 . 1 1 38 38 LEU HA H 135 4.225 4.225 3.287 0.938 17752 3301 1 6 . 1 1 38 38 LEU C C 135 177.779 177.779 176.335 1.444 17752 3302 1 6 . 1 1 38 38 LEU CA C 135 55.748 55.748 53.867 1.881 17752 3303 1 6 . 1 1 38 38 LEU CB C 135 42.220 42.220 40.390 1.830 17752 3304 1 6 . 1 1 38 38 LEU H H 135 8.052 8.052 8.322 -0.270 17752 3305 1 6 . 1 1 39 39 LYS N N 136 119.589 119.589 121.067 -1.478 17752 3306 1 6 . 1 1 39 39 LYS HA H 136 4.225 4.225 4.127 0.098 17752 3307 1 6 . 1 1 39 39 LYS C C 136 177.024 177.024 176.315 0.709 17752 3308 1 6 . 1 1 39 39 LYS CA C 136 57.161 57.161 57.342 -0.181 17752 3309 1 6 . 1 1 39 39 LYS CB C 136 32.220 32.220 33.537 -1.317 17752 3310 1 6 . 1 1 39 39 LYS H H 136 8.295 8.295 7.881 0.414 17752 3311 1 6 . 1 1 40 40 THR N N 137 112.003 112.003 109.065 2.938 17752 3312 1 6 . 1 1 40 40 THR HA H 137 4.189 4.189 4.659 -0.470 17752 3313 1 6 . 1 1 40 40 THR C C 137 174.914 174.914 173.748 1.166 17752 3314 1 6 . 1 1 40 40 THR CA C 137 62.152 62.152 61.131 1.021 17752 3315 1 6 . 1 1 40 40 THR CB C 137 69.513 69.513 70.953 -1.440 17752 3316 1 6 . 1 1 40 40 THR H H 137 7.787 7.787 7.955 -0.168 17752 3317 1 6 . 1 1 41 41 GLY N N 138 109.975 109.975 108.206 1.769 17752 3318 1 6 . 1 1 41 41 GLY C C 138 173.470 173.470 174.055 -0.585 17752 3319 1 6 . 1 1 41 41 GLY CA C 138 45.370 45.370 44.515 0.855 17752 3320 1 6 . 1 1 41 41 GLY H H 138 8.017 8.017 8.247 -0.230 17752 3321 1 6 . 1 1 42 42 TRP N N 139 119.581 119.581 121.942 -2.361 17752 3322 1 6 . 1 1 42 42 TRP HA H 139 4.634 4.634 4.765 -0.131 17752 3323 1 6 . 1 1 42 42 TRP C C 139 175.349 175.349 175.808 -0.459 17752 3324 1 6 . 1 1 42 42 TRP CA C 139 56.762 56.762 56.179 0.583 17752 3325 1 6 . 1 1 42 42 TRP CB C 139 29.199 29.199 28.510 0.689 17752 3326 1 6 . 1 1 42 42 TRP H H 139 7.787 7.787 8.494 -0.707 17752 3327 1 6 . 1 1 43 43 PHE N N 140 119.509 119.509 116.671 2.838 17752 3328 1 6 . 1 1 43 43 PHE HA H 140 4.675 4.675 4.835 -0.160 17752 3329 1 6 . 1 1 43 43 PHE C C 140 174.658 174.658 175.539 -0.881 17752 3330 1 6 . 1 1 43 43 PHE CA C 140 57.106 57.106 56.804 0.302 17752 3331 1 6 . 1 1 43 43 PHE CB C 140 40.150 40.150 39.386 0.764 17752 3332 1 6 . 1 1 43 43 PHE H H 140 7.871 7.871 7.469 0.402 17752 3333 1 6 . 1 1 44 44 THR N N 141 116.290 116.290 119.136 -2.846 17752 3334 1 6 . 1 1 44 44 THR HA H 141 4.323 4.323 3.610 0.713 17752 3335 1 6 . 1 1 44 44 THR C C 141 173.009 173.009 174.078 -1.069 17752 3336 1 6 . 1 1 44 44 THR CA C 141 61.830 61.830 62.636 -0.806 17752 3337 1 6 . 1 1 44 44 THR CB C 141 70.489 70.489 69.028 1.461 17752 3338 1 6 . 1 1 44 44 THR H H 141 8.380 8.380 7.503 0.877 17752 3339 1 6 . 1 1 45 45 LEU N N 142 124.270 124.270 127.979 -3.709 17752 3340 1 6 . 1 1 45 45 LEU HA H 142 4.519 4.519 4.211 0.308 17752 3341 1 6 . 1 1 45 45 LEU C C 142 174.651 174.651 176.002 -1.351 17752 3342 1 6 . 1 1 45 45 LEU CA C 142 53.847 53.847 53.585 0.262 17752 3343 1 6 . 1 1 45 45 LEU CB C 142 44.418 44.418 40.951 3.467 17752 3344 1 6 . 1 1 45 45 LEU H H 142 7.972 7.972 8.515 -0.543 17752 3345 1 6 . 1 1 46 46 LEU N N 143 120.086 120.086 124.417 -4.331 17752 3346 1 6 . 1 1 46 46 LEU HA H 143 4.666 4.666 4.945 -0.279 17752 3347 1 6 . 1 1 46 46 LEU C C 143 176.553 176.553 176.491 0.062 17752 3348 1 6 . 1 1 46 46 LEU CA C 143 52.236 52.236 53.223 -0.987 17752 3349 1 6 . 1 1 46 46 LEU CB C 143 44.725 44.725 41.411 3.314 17752 3350 1 6 . 1 1 46 46 LEU H H 143 8.330 8.330 8.585 -0.255 17752 3351 1 6 . 1 1 47 47 TYR N N 144 115.644 115.644 123.322 -7.678 17752 3352 1 6 . 1 1 47 47 TYR HA H 144 5.650 5.650 4.879 0.771 17752 3353 1 6 . 1 1 47 47 TYR C C 144 175.013 175.013 174.580 0.433 17752 3354 1 6 . 1 1 47 47 TYR CA C 144 57.301 57.301 56.216 1.085 17752 3355 1 6 . 1 1 47 47 TYR CB C 144 43.200 43.200 40.399 2.801 17752 3356 1 6 . 1 1 47 47 TYR H H 144 8.674 8.674 9.193 -0.519 17752 3357 1 6 . 1 1 48 48 GLU N N 145 120.669 120.669 122.184 -1.515 17752 3358 1 6 . 1 1 48 48 GLU HA H 145 4.835 4.835 4.472 0.363 17752 3359 1 6 . 1 1 48 48 GLU C C 145 173.623 173.623 174.609 -0.986 17752 3360 1 6 . 1 1 48 48 GLU CA C 145 54.810 54.810 54.540 0.270 17752 3361 1 6 . 1 1 48 48 GLU CB C 145 35.923 35.923 33.309 2.614 17752 3362 1 6 . 1 1 48 48 GLU H H 145 8.186 8.186 8.862 -0.676 17752 3363 1 6 . 1 1 49 49 ILE N N 146 118.773 118.773 126.831 -8.058 17752 3364 1 6 . 1 1 49 49 ILE HA H 146 5.069 5.069 4.974 0.095 17752 3365 1 6 . 1 1 49 49 ILE C C 146 174.840 174.840 174.350 0.490 17752 3366 1 6 . 1 1 49 49 ILE CA C 146 58.375 58.375 59.735 -1.360 17752 3367 1 6 . 1 1 49 49 ILE CB C 146 42.256 42.256 39.818 2.438 17752 3368 1 6 . 1 1 49 49 ILE H H 146 8.707 8.707 8.653 0.054 17752 3369 1 6 . 1 1 50 50 ARG N N 147 120.594 120.594 128.125 -7.531 17752 3370 1 6 . 1 1 50 50 ARG HA H 147 5.882 5.882 5.557 0.325 17752 3371 1 6 . 1 1 50 50 ARG C C 147 172.997 172.997 174.374 -1.377 17752 3372 1 6 . 1 1 50 50 ARG CA C 147 53.454 53.454 54.147 -0.693 17752 3373 1 6 . 1 1 50 50 ARG CB C 147 34.273 34.273 32.295 1.978 17752 3374 1 6 . 1 1 50 50 ARG H H 147 8.922 8.922 9.014 -0.092 17752 3375 1 6 . 1 1 51 51 LEU N N 148 119.958 119.958 119.495 0.463 17752 3376 1 6 . 1 1 51 51 LEU HA H 148 6.200 6.200 5.985 0.215 17752 3377 1 6 . 1 1 51 51 LEU C C 148 175.544 175.544 174.808 0.736 17752 3378 1 6 . 1 1 51 51 LEU CA C 148 54.601 54.601 53.031 1.570 17752 3379 1 6 . 1 1 51 51 LEU CB C 148 46.908 46.908 46.474 0.434 17752 3380 1 6 . 1 1 51 51 LEU H H 148 9.242 9.242 9.057 0.185 17752 3381 1 6 . 1 1 52 52 LYS N N 149 116.000 116.000 115.491 0.509 17752 3382 1 6 . 1 1 52 52 LYS HA H 149 4.945 4.945 4.680 0.265 17752 3383 1 6 . 1 1 52 52 LYS C C 149 172.459 172.459 173.175 -0.716 17752 3384 1 6 . 1 1 52 52 LYS CA C 149 54.828 54.828 54.551 0.277 17752 3385 1 6 . 1 1 52 52 LYS CB C 149 32.809 32.809 33.840 -1.032 17752 3386 1 6 . 1 1 52 52 LYS H H 149 8.399 8.399 8.731 -0.332 17752 3387 1 6 . 1 1 53 53 PRO HA H 150 4.103 4.103 3.876 0.227 17752 3388 1 6 . 1 1 53 53 PRO C C 150 178.630 178.630 178.278 0.352 17752 3389 1 6 . 1 1 53 53 PRO CA C 150 61.651 61.651 61.649 0.002 17752 3390 1 6 . 1 1 53 53 PRO CB C 150 31.521 31.521 31.987 -0.466 17752 3391 1 6 . 1 1 54 54 GLU N N 151 125.100 125.100 120.959 4.141 17752 3392 1 6 . 1 1 54 54 GLU HA H 151 3.580 3.580 3.870 -0.290 17752 3393 1 6 . 1 1 54 54 GLU C C 151 176.912 176.912 177.029 -0.117 17752 3394 1 6 . 1 1 54 54 GLU CA C 151 60.163 60.163 58.990 1.173 17752 3395 1 6 . 1 1 54 54 GLU CB C 151 30.024 30.024 29.001 1.023 17752 3396 1 6 . 1 1 54 54 GLU H H 151 8.865 8.865 8.585 0.280 17752 3397 1 6 . 1 1 55 55 LYS N N 152 113.857 113.857 117.296 -3.439 17752 3398 1 6 . 1 1 55 55 LYS HA H 152 4.150 4.150 4.334 -0.184 17752 3399 1 6 . 1 1 55 55 LYS C C 152 176.530 176.530 175.576 0.954 17752 3400 1 6 . 1 1 55 55 LYS CA C 152 56.088 56.088 55.555 0.533 17752 3401 1 6 . 1 1 55 55 LYS CB C 152 31.681 31.681 32.216 -0.535 17752 3402 1 6 . 1 1 55 55 LYS H H 152 8.356 8.356 8.079 0.277 17752 3403 1 6 . 1 1 56 56 ALA N N 153 121.720 121.720 122.204 -0.484 17752 3404 1 6 . 1 1 56 56 ALA HA H 153 4.252 4.252 4.485 -0.233 17752 3405 1 6 . 1 1 56 56 ALA C C 153 177.098 177.098 176.999 0.099 17752 3406 1 6 . 1 1 56 56 ALA CA C 153 51.651 51.651 51.194 0.457 17752 3407 1 6 . 1 1 56 56 ALA CB C 153 20.289 20.289 20.064 0.226 17752 3408 1 6 . 1 1 56 56 ALA H H 153 7.359 7.359 7.445 -0.086 17752 3409 1 6 . 1 1 57 57 ALA HA H 154 4.171 4.171 4.156 0.015 17752 3410 1 6 . 1 1 57 57 ALA C C 154 177.719 177.719 178.297 -0.578 17752 3411 1 6 . 1 1 57 57 ALA CA C 154 53.285 53.285 53.306 -0.021 17752 3412 1 6 . 1 1 57 57 ALA CB C 154 19.767 19.767 18.973 0.794 17752 3413 1 6 . 1 1 58 58 GLU N N 155 115.658 115.658 117.735 -2.077 17752 3414 1 6 . 1 1 58 58 GLU HA H 155 4.556 4.556 4.379 0.177 17752 3415 1 6 . 1 1 58 58 GLU C C 155 174.857 174.857 174.926 -0.069 17752 3416 1 6 . 1 1 58 58 GLU CA C 155 54.771 54.771 55.332 -0.561 17752 3417 1 6 . 1 1 58 58 GLU CB C 155 32.247 32.247 30.778 1.469 17752 3418 1 6 . 1 1 58 58 GLU H H 155 7.527 7.527 8.044 -0.517 17752 3419 1 6 . 1 1 59 59 TRP N N 156 121.007 121.007 120.471 0.536 17752 3420 1 6 . 1 1 59 59 TRP HA H 156 4.334 4.334 4.602 -0.268 17752 3421 1 6 . 1 1 59 59 TRP C C 156 176.227 176.227 176.365 -0.138 17752 3422 1 6 . 1 1 59 59 TRP CA C 156 56.986 56.986 56.850 0.136 17752 3423 1 6 . 1 1 59 59 TRP CB C 156 31.064 31.064 30.867 0.197 17752 3424 1 6 . 1 1 59 59 TRP H H 156 8.499 8.499 8.343 0.156 17752 3425 1 6 . 1 1 60 60 GLU N N 157 123.107 123.107 122.838 0.269 17752 3426 1 6 . 1 1 60 60 GLU HA H 157 4.689 4.689 4.614 0.075 17752 3427 1 6 . 1 1 60 60 GLU C C 157 174.904 174.904 175.756 -0.852 17752 3428 1 6 . 1 1 60 60 GLU CA C 157 55.797 55.797 55.637 0.160 17752 3429 1 6 . 1 1 60 60 GLU CB C 157 31.671 31.671 31.478 0.193 17752 3430 1 6 . 1 1 60 60 GLU H H 157 8.930 8.930 9.026 -0.096 17752 3431 1 6 . 1 1 61 61 ILE N N 158 124.822 124.822 126.574 -1.752 17752 3432 1 6 . 1 1 61 61 ILE HA H 158 4.972 4.972 4.327 0.645 17752 3433 1 6 . 1 1 61 61 ILE C C 158 175.938 175.938 175.630 0.308 17752 3434 1 6 . 1 1 61 61 ILE CA C 158 60.029 60.029 60.751 -0.722 17752 3435 1 6 . 1 1 61 61 ILE CB C 158 39.652 39.652 38.305 1.347 17752 3436 1 6 . 1 1 61 61 ILE H H 158 8.371 8.371 8.825 -0.454 17752 3437 1 6 . 1 1 62 62 HIS N N 159 125.647 125.647 127.787 -2.140 17752 3438 1 6 . 1 1 62 62 HIS HA H 159 4.750 4.750 4.908 -0.158 17752 3439 1 6 . 1 1 62 62 HIS C C 159 173.704 173.704 173.714 -0.010 17752 3440 1 6 . 1 1 62 62 HIS CA C 159 54.910 54.910 54.185 0.725 17752 3441 1 6 . 1 1 62 62 HIS CB C 159 34.940 34.940 31.710 3.230 17752 3442 1 6 . 1 1 62 62 HIS H H 159 9.326 9.326 9.383 -0.057 17752 3443 1 6 . 1 1 63 63 PHE N N 160 124.930 124.930 126.374 -1.444 17752 3444 1 6 . 1 1 63 63 PHE HA H 160 4.897 4.897 4.398 0.499 17752 3445 1 6 . 1 1 63 63 PHE C C 160 174.606 174.606 175.609 -1.003 17752 3446 1 6 . 1 1 63 63 PHE CA C 160 58.097 58.097 58.989 -0.892 17752 3447 1 6 . 1 1 63 63 PHE CB C 160 39.192 39.192 40.062 -0.870 17752 3448 1 6 . 1 1 63 63 PHE H H 160 9.207 9.207 9.158 0.049 17752 3449 1 6 . 1 1 64 64 ALA N N 161 130.696 130.696 128.814 1.882 17752 3450 1 6 . 1 1 64 64 ALA HA H 161 4.645 4.645 4.829 -0.184 17752 3451 1 6 . 1 1 64 64 ALA C C 161 177.327 177.327 177.024 0.303 17752 3452 1 6 . 1 1 64 64 ALA CA C 161 51.333 51.333 51.951 -0.618 17752 3453 1 6 . 1 1 64 64 ALA CB C 161 19.696 19.696 20.509 -0.813 17752 3454 1 6 . 1 1 64 64 ALA H H 161 8.371 8.371 8.289 0.082 17752 3455 1 6 . 1 1 65 65 GLY N N 162 105.725 105.725 107.854 -2.129 17752 3456 1 6 . 1 1 65 65 GLY C C 162 173.920 173.920 173.621 0.299 17752 3457 1 6 . 1 1 65 65 GLY CA C 162 47.245 47.245 46.388 0.857 17752 3458 1 6 . 1 1 65 65 GLY H H 162 6.059 6.059 7.735 -1.676 17752 3459 1 6 . 1 1 66 66 GLN N N 163 122.418 122.418 123.931 -1.513 17752 3460 1 6 . 1 1 66 66 GLN HA H 163 5.120 5.120 5.152 -0.032 17752 3461 1 6 . 1 1 66 66 GLN C C 163 176.832 176.832 175.546 1.286 17752 3462 1 6 . 1 1 66 66 GLN CA C 163 55.887 55.887 54.517 1.370 17752 3463 1 6 . 1 1 66 66 GLN CB C 163 30.063 30.063 28.469 1.594 17752 3464 1 6 . 1 1 66 66 GLN H H 163 9.029 9.029 8.749 0.280 17752 3465 1 6 . 1 1 67 67 GLN N N 164 119.220 119.220 119.671 -0.451 17752 3466 1 6 . 1 1 67 67 GLN HA H 164 4.373 4.373 4.667 -0.294 17752 3467 1 6 . 1 1 67 67 GLN C C 164 173.020 173.020 175.487 -2.467 17752 3468 1 6 . 1 1 67 67 GLN CA C 164 56.025 56.025 54.846 1.179 17752 3469 1 6 . 1 1 67 67 GLN CB C 164 30.868 30.868 30.105 0.763 17752 3470 1 6 . 1 1 67 67 GLN H H 164 7.746 7.746 7.700 0.046 17752 3471 1 6 . 1 1 68 68 THR N N 165 104.368 104.368 108.767 -4.399 17752 3472 1 6 . 1 1 68 68 THR HA H 165 3.264 3.264 3.765 -0.501 17752 3473 1 6 . 1 1 68 68 THR C C 165 171.726 171.726 172.352 -0.626 17752 3474 1 6 . 1 1 68 68 THR CA C 165 58.963 58.963 61.058 -2.095 17752 3475 1 6 . 1 1 68 68 THR CB C 165 66.777 66.777 68.156 -1.379 17752 3476 1 6 . 1 1 68 68 THR H H 165 7.716 7.716 8.400 -0.684 17752 3477 1 6 . 1 1 69 69 GLU N N 166 113.260 113.260 118.520 -5.260 17752 3478 1 6 . 1 1 69 69 GLU HA H 166 4.597 4.597 4.821 -0.224 17752 3479 1 6 . 1 1 69 69 GLU C C 166 174.977 174.977 174.232 0.745 17752 3480 1 6 . 1 1 69 69 GLU CA C 166 53.742 53.742 54.133 -0.391 17752 3481 1 6 . 1 1 69 69 GLU CB C 166 33.177 33.177 32.913 0.264 17752 3482 1 6 . 1 1 69 69 GLU H H 166 6.562 6.562 7.296 -0.734 17752 3483 1 6 . 1 1 70 70 PHE N N 167 122.043 122.043 123.932 -1.889 17752 3484 1 6 . 1 1 70 70 PHE HA H 167 4.545 4.545 4.980 -0.435 17752 3485 1 6 . 1 1 70 70 PHE C C 167 172.620 172.620 173.935 -1.315 17752 3486 1 6 . 1 1 70 70 PHE CA C 167 58.957 58.957 56.855 2.102 17752 3487 1 6 . 1 1 70 70 PHE CB C 167 45.667 45.667 43.861 1.806 17752 3488 1 6 . 1 1 70 70 PHE H H 167 9.385 9.385 8.987 0.398 17752 3489 1 6 . 1 1 71 71 LYS N N 168 122.342 122.342 124.405 -2.063 17752 3490 1 6 . 1 1 71 71 LYS HA H 168 5.667 5.667 5.587 0.080 17752 3491 1 6 . 1 1 71 71 LYS C C 168 174.656 174.656 175.210 -0.554 17752 3492 1 6 . 1 1 71 71 LYS CA C 168 54.701 54.701 53.652 1.049 17752 3493 1 6 . 1 1 71 71 LYS CB C 168 35.338 35.338 35.213 0.125 17752 3494 1 6 . 1 1 71 71 LYS H H 168 7.129 7.129 7.545 -0.416 17752 3495 1 6 . 1 1 72 72 ILE N N 169 122.191 122.191 123.606 -1.415 17752 3496 1 6 . 1 1 72 72 ILE HA H 169 4.334 4.334 4.301 0.033 17752 3497 1 6 . 1 1 72 72 ILE C C 169 175.258 175.258 175.045 0.213 17752 3498 1 6 . 1 1 72 72 ILE CA C 169 59.091 59.091 58.889 0.202 17752 3499 1 6 . 1 1 72 72 ILE CB C 169 39.295 39.295 38.775 0.520 17752 3500 1 6 . 1 1 72 72 ILE H H 169 8.978 8.978 8.930 0.048 17752 3501 1 6 . 1 1 73 73 LEU N N 170 126.298 126.298 127.382 -1.084 17752 3502 1 6 . 1 1 73 73 LEU HA H 170 4.647 4.647 4.734 -0.087 17752 3503 1 6 . 1 1 73 73 LEU C C 170 176.979 176.979 177.509 -0.530 17752 3504 1 6 . 1 1 73 73 LEU CA C 170 56.171 56.171 54.989 1.181 17752 3505 1 6 . 1 1 73 73 LEU CB C 170 43.187 43.187 42.510 0.677 17752 3506 1 6 . 1 1 73 73 LEU H H 170 8.647 8.647 8.811 -0.164 17752 3507 1 6 . 1 1 74 74 SER N N 171 112.997 112.997 116.673 -3.676 17752 3508 1 6 . 1 1 74 74 SER HA H 171 4.792 4.792 4.503 0.289 17752 3509 1 6 . 1 1 74 74 SER C C 171 172.975 172.975 173.128 -0.153 17752 3510 1 6 . 1 1 74 74 SER CA C 171 57.259 57.259 58.250 -0.991 17752 3511 1 6 . 1 1 74 74 SER CB C 171 62.829 62.829 62.438 0.391 17752 3512 1 6 . 1 1 74 74 SER H H 171 7.438 7.438 8.054 -0.616 17752 3513 1 6 . 1 1 75 75 LEU N N 172 124.862 124.862 124.189 0.673 17752 3514 1 6 . 1 1 75 75 LEU HA H 172 4.454 4.454 4.269 0.185 17752 3515 1 6 . 1 1 75 75 LEU C C 172 175.166 175.166 175.580 -0.414 17752 3516 1 6 . 1 1 75 75 LEU CA C 172 53.276 53.276 53.487 -0.211 17752 3517 1 6 . 1 1 75 75 LEU CB C 172 45.925 45.925 45.483 0.442 17752 3518 1 6 . 1 1 75 75 LEU H H 172 7.932 7.932 7.539 0.393 17752 3519 1 6 . 1 1 76 76 HIS N N 173 120.512 120.512 120.813 -0.301 17752 3520 1 6 . 1 1 76 76 HIS HA H 173 5.027 5.027 5.015 0.012 17752 3521 1 6 . 1 1 76 76 HIS C C 173 173.227 173.227 172.763 0.464 17752 3522 1 6 . 1 1 76 76 HIS CA C 173 53.512 53.512 52.470 1.042 17752 3523 1 6 . 1 1 76 76 HIS CB C 173 30.896 30.896 31.227 -0.331 17752 3524 1 6 . 1 1 76 76 HIS H H 173 8.350 8.350 8.224 0.126 17752 3525 1 6 . 1 1 77 77 PRO HA H 174 4.194 4.194 4.307 -0.113 17752 3526 1 6 . 1 1 77 77 PRO C C 174 178.280 178.280 177.336 0.944 17752 3527 1 6 . 1 1 77 77 PRO CA C 174 63.005 63.005 63.429 -0.424 17752 3528 1 6 . 1 1 77 77 PRO CB C 174 32.946 32.946 31.627 1.319 17752 3529 1 6 . 1 1 78 78 GLY N N 175 109.449 109.449 114.040 -4.591 17752 3530 1 6 . 1 1 78 78 GLY C C 175 173.983 173.983 173.695 0.288 17752 3531 1 6 . 1 1 78 78 GLY CA C 175 46.309 46.309 44.956 1.353 17752 3532 1 6 . 1 1 78 78 GLY H H 175 7.323 7.323 8.817 -1.494 17752 3533 1 6 . 1 1 79 79 GLN N N 176 116.806 116.806 118.052 -1.246 17752 3534 1 6 . 1 1 79 79 GLN HA H 176 4.564 4.564 4.751 -0.187 17752 3535 1 6 . 1 1 79 79 GLN C C 176 174.210 174.210 174.627 -0.417 17752 3536 1 6 . 1 1 79 79 GLN CA C 176 54.321 54.321 54.365 -0.044 17752 3537 1 6 . 1 1 79 79 GLN CB C 176 30.805 30.805 33.224 -2.419 17752 3538 1 6 . 1 1 79 79 GLN H H 176 7.122 7.122 7.655 -0.533 17752 3539 1 6 . 1 1 80 80 LYS N N 177 123.628 123.628 123.594 0.034 17752 3540 1 6 . 1 1 80 80 LYS HA H 177 4.989 4.989 4.625 0.364 17752 3541 1 6 . 1 1 80 80 LYS C C 177 175.461 175.461 175.035 0.426 17752 3542 1 6 . 1 1 80 80 LYS CA C 177 55.580 55.580 56.499 -0.919 17752 3543 1 6 . 1 1 80 80 LYS CB C 177 33.369 33.369 34.291 -0.922 17752 3544 1 6 . 1 1 80 80 LYS H H 177 8.679 8.679 9.430 -0.751 17752 3545 1 6 . 1 1 81 81 TYR N N 178 126.820 126.820 122.421 4.399 17752 3546 1 6 . 1 1 81 81 TYR HA H 178 5.084 5.084 4.975 0.109 17752 3547 1 6 . 1 1 81 81 TYR C C 178 174.883 174.883 174.536 0.347 17752 3548 1 6 . 1 1 81 81 TYR CA C 178 57.082 57.082 56.944 0.138 17752 3549 1 6 . 1 1 81 81 TYR CB C 178 41.952 41.952 42.435 -0.483 17752 3550 1 6 . 1 1 81 81 TYR H H 178 9.407 9.407 9.352 0.055 17752 3551 1 6 . 1 1 82 82 LEU N N 179 119.285 119.285 122.418 -3.133 17752 3552 1 6 . 1 1 82 82 LEU HA H 179 4.993 4.993 5.093 -0.100 17752 3553 1 6 . 1 1 82 82 LEU C C 179 176.372 176.372 175.907 0.465 17752 3554 1 6 . 1 1 82 82 LEU CA C 179 54.686 54.686 53.890 0.796 17752 3555 1 6 . 1 1 82 82 LEU CB C 179 45.287 45.287 43.809 1.478 17752 3556 1 6 . 1 1 82 82 LEU H H 179 8.457 8.457 9.034 -0.577 17752 3557 1 6 . 1 1 83 83 VAL N N 180 119.136 119.136 115.535 3.601 17752 3558 1 6 . 1 1 83 83 VAL HA H 180 5.167 5.167 5.343 -0.176 17752 3559 1 6 . 1 1 83 83 VAL C C 180 175.007 175.007 174.137 0.870 17752 3560 1 6 . 1 1 83 83 VAL CA C 180 60.829 60.829 59.102 1.727 17752 3561 1 6 . 1 1 83 83 VAL CB C 180 35.132 35.132 35.935 -0.803 17752 3562 1 6 . 1 1 83 83 VAL H H 180 8.442 8.442 9.146 -0.704 17752 3563 1 6 . 1 1 84 84 GLN N N 181 121.769 121.769 120.509 1.260 17752 3564 1 6 . 1 1 84 84 GLN HA H 181 4.365 4.365 4.671 -0.306 17752 3565 1 6 . 1 1 84 84 GLN C C 181 172.935 172.935 173.075 -0.140 17752 3566 1 6 . 1 1 84 84 GLN CA C 181 55.052 55.052 55.462 -0.410 17752 3567 1 6 . 1 1 84 84 GLN CB C 181 36.079 36.079 33.066 3.013 17752 3568 1 6 . 1 1 84 84 GLN H H 181 8.986 8.986 8.326 0.660 17752 3569 1 6 . 1 1 85 85 VAL N N 182 116.946 116.946 123.046 -6.100 17752 3570 1 6 . 1 1 85 85 VAL HA H 182 5.444 5.444 5.013 0.431 17752 3571 1 6 . 1 1 85 85 VAL C C 182 172.842 172.842 174.553 -1.711 17752 3572 1 6 . 1 1 85 85 VAL CA C 182 59.501 59.501 59.361 0.140 17752 3573 1 6 . 1 1 85 85 VAL CB C 182 35.973 35.973 33.315 2.659 17752 3574 1 6 . 1 1 85 85 VAL H H 182 8.425 8.425 8.433 -0.008 17752 3575 1 6 . 1 1 86 86 ARG N N 183 122.701 122.701 125.892 -3.191 17752 3576 1 6 . 1 1 86 86 ARG HA H 183 4.586 4.586 4.221 0.365 17752 3577 1 6 . 1 1 86 86 ARG C C 183 173.613 173.613 173.998 -0.385 17752 3578 1 6 . 1 1 86 86 ARG CA C 183 54.760 54.760 52.453 2.307 17752 3579 1 6 . 1 1 86 86 ARG CB C 183 33.484 33.484 32.812 0.672 17752 3580 1 6 . 1 1 86 86 ARG H H 183 8.853 8.853 8.873 -0.020 17752 3581 1 6 . 1 1 87 87 CYS N N 184 113.995 113.995 117.883 -3.888 17752 3582 1 6 . 1 1 87 87 CYS HA H 184 6.281 6.281 5.323 0.958 17752 3583 1 6 . 1 1 87 87 CYS C C 184 172.060 172.060 173.580 -1.520 17752 3584 1 6 . 1 1 87 87 CYS CA C 184 54.763 54.763 55.869 -1.106 17752 3585 1 6 . 1 1 87 87 CYS CB C 184 34.453 34.453 32.102 2.350 17752 3586 1 6 . 1 1 87 87 CYS H H 184 8.869 8.869 8.260 0.609 17752 3587 1 6 . 1 1 88 88 LYS N N 185 119.231 119.231 121.005 -1.774 17752 3588 1 6 . 1 1 88 88 LYS HA H 185 4.650 4.650 5.020 -0.370 17752 3589 1 6 . 1 1 88 88 LYS C C 185 172.274 172.274 174.758 -2.484 17752 3590 1 6 . 1 1 88 88 LYS CA C 185 53.192 53.192 53.933 -0.741 17752 3591 1 6 . 1 1 88 88 LYS CB C 185 33.530 33.530 32.237 1.292 17752 3592 1 6 . 1 1 88 88 LYS H H 185 8.680 8.680 8.509 0.171 17752 3593 1 6 . 1 1 89 89 PRO HA H 186 4.874 4.874 4.632 0.242 17752 3594 1 6 . 1 1 89 89 PRO C C 186 177.163 177.163 176.887 0.276 17752 3595 1 6 . 1 1 89 89 PRO CA C 186 60.867 60.867 62.209 -1.342 17752 3596 1 6 . 1 1 89 89 PRO CB C 186 31.041 31.041 32.752 -1.711 17752 3597 1 6 . 1 1 90 90 ASP N N 187 121.615 121.615 117.215 4.400 17752 3598 1 6 . 1 1 90 90 ASP HA H 187 4.571 4.571 4.365 0.206 17752 3599 1 6 . 1 1 90 90 ASP C C 187 176.587 176.587 177.425 -0.838 17752 3600 1 6 . 1 1 90 90 ASP CA C 187 56.898 56.898 55.591 1.307 17752 3601 1 6 . 1 1 90 90 ASP CB C 187 40.161 40.161 40.816 -0.655 17752 3602 1 6 . 1 1 90 90 ASP H H 187 8.377 8.377 8.690 -0.313 17752 3603 1 6 . 1 1 91 91 HIS N N 188 115.767 115.767 116.497 -0.730 17752 3604 1 6 . 1 1 91 91 HIS HA H 188 4.487 4.487 4.361 0.126 17752 3605 1 6 . 1 1 91 91 HIS C C 188 174.877 174.877 175.350 -0.473 17752 3606 1 6 . 1 1 91 91 HIS CA C 188 56.060 56.060 57.743 -1.683 17752 3607 1 6 . 1 1 91 91 HIS CB C 188 29.064 29.064 30.340 -1.276 17752 3608 1 6 . 1 1 91 91 HIS H H 188 8.020 8.020 8.428 -0.408 17752 3609 1 6 . 1 1 92 92 GLY N N 189 108.492 108.492 103.488 5.004 17752 3610 1 6 . 1 1 92 92 GLY C C 189 171.977 171.977 171.589 0.388 17752 3611 1 6 . 1 1 92 92 GLY CA C 189 44.356 44.356 44.911 -0.555 17752 3612 1 6 . 1 1 92 92 GLY H H 189 7.648 7.648 7.135 0.513 17752 3613 1 6 . 1 1 93 93 TYR N N 190 120.823 120.823 118.797 2.026 17752 3614 1 6 . 1 1 93 93 TYR HA H 190 4.589 4.589 4.902 -0.313 17752 3615 1 6 . 1 1 93 93 TYR C C 190 174.685 174.685 175.385 -0.700 17752 3616 1 6 . 1 1 93 93 TYR CA C 190 55.924 55.924 56.669 -0.745 17752 3617 1 6 . 1 1 93 93 TYR CB C 190 40.462 40.462 41.538 -1.075 17752 3618 1 6 . 1 1 93 93 TYR H H 190 8.265 8.265 7.631 0.634 17752 3619 1 6 . 1 1 94 94 TRP N N 191 117.501 117.501 124.447 -6.946 17752 3620 1 6 . 1 1 94 94 TRP HA H 191 4.399 4.399 4.709 -0.310 17752 3621 1 6 . 1 1 94 94 TRP C C 191 178.522 178.522 174.964 3.558 17752 3622 1 6 . 1 1 94 94 TRP CA C 191 57.620 57.620 56.725 0.895 17752 3623 1 6 . 1 1 94 94 TRP CB C 191 30.530 30.530 29.745 0.785 17752 3624 1 6 . 1 1 94 94 TRP H H 191 7.637 7.637 8.395 -0.758 17752 3625 1 6 . 1 1 95 95 SER N N 192 117.327 117.327 118.083 -0.756 17752 3626 1 6 . 1 1 95 95 SER HA H 192 4.314 4.314 4.413 -0.099 17752 3627 1 6 . 1 1 95 95 SER C C 192 173.924 173.924 173.768 0.156 17752 3628 1 6 . 1 1 95 95 SER CA C 192 57.840 57.840 58.047 -0.207 17752 3629 1 6 . 1 1 95 95 SER CB C 192 67.312 67.312 63.919 3.393 17752 3630 1 6 . 1 1 95 95 SER H H 192 9.755 9.755 8.526 1.229 17752 3631 1 6 . 1 1 96 96 ALA N N 193 120.747 120.747 123.068 -2.321 17752 3632 1 6 . 1 1 96 96 ALA HA H 193 4.134 4.134 4.708 -0.574 17752 3633 1 6 . 1 1 96 96 ALA C C 193 178.311 178.311 175.287 3.024 17752 3634 1 6 . 1 1 96 96 ALA CA C 193 52.387 52.387 51.998 0.389 17752 3635 1 6 . 1 1 96 96 ALA CB C 193 18.821 18.821 20.187 -1.366 17752 3636 1 6 . 1 1 96 96 ALA H H 193 8.824 8.824 7.821 1.003 17752 3637 1 6 . 1 1 97 97 TRP N N 194 120.634 120.634 121.950 -1.316 17752 3638 1 6 . 1 1 97 97 TRP HA H 194 4.314 4.314 4.830 -0.516 17752 3639 1 6 . 1 1 97 97 TRP C C 194 177.944 177.944 176.465 1.479 17752 3640 1 6 . 1 1 97 97 TRP CA C 194 57.825 57.825 56.300 1.526 17752 3641 1 6 . 1 1 97 97 TRP CB C 194 29.702 29.702 29.525 0.177 17752 3642 1 6 . 1 1 97 97 TRP H H 194 8.118 8.118 8.598 -0.480 17752 3643 1 6 . 1 1 98 98 SER N N 195 118.649 118.649 119.826 -1.177 17752 3644 1 6 . 1 1 98 98 SER HA H 195 4.372 4.372 4.502 -0.130 17752 3645 1 6 . 1 1 98 98 SER C C 195 170.132 170.132 174.044 -3.912 17752 3646 1 6 . 1 1 98 98 SER CA C 195 57.851 57.851 59.713 -1.862 17752 3647 1 6 . 1 1 98 98 SER CB C 195 62.213 62.213 61.328 0.885 17752 3648 1 6 . 1 1 98 98 SER H H 195 9.327 9.327 8.585 0.742 17752 3649 1 6 . 1 1 99 99 PRO HA H 196 4.585 4.585 4.574 0.011 17752 3650 1 6 . 1 1 99 99 PRO C C 196 178.242 178.242 174.910 3.332 17752 3651 1 6 . 1 1 99 99 PRO CA C 196 63.403 63.403 62.578 0.825 17752 3652 1 6 . 1 1 99 99 PRO CB C 196 31.405 31.405 32.798 -1.393 17752 3653 1 6 . 1 1 100 100 ALA N N 197 127.219 127.219 122.287 4.932 17752 3654 1 6 . 1 1 100 100 ALA HA H 197 4.680 4.680 4.439 0.241 17752 3655 1 6 . 1 1 100 100 ALA C C 197 178.043 178.043 176.207 1.836 17752 3656 1 6 . 1 1 100 100 ALA CA C 197 52.309 52.309 51.782 0.527 17752 3657 1 6 . 1 1 100 100 ALA CB C 197 18.973 18.973 22.509 -3.535 17752 3658 1 6 . 1 1 100 100 ALA H H 197 9.001 9.001 8.276 0.725 17752 3659 1 6 . 1 1 101 101 THR N N 198 118.178 118.178 118.952 -0.774 17752 3660 1 6 . 1 1 101 101 THR HA H 198 4.598 4.598 4.795 -0.197 17752 3661 1 6 . 1 1 101 101 THR C C 198 172.242 172.242 173.302 -1.060 17752 3662 1 6 . 1 1 101 101 THR CA C 198 61.440 61.440 61.257 0.183 17752 3663 1 6 . 1 1 101 101 THR CB C 198 70.945 70.945 70.465 0.480 17752 3664 1 6 . 1 1 101 101 THR H H 198 8.617 8.617 8.992 -0.375 17752 3665 1 6 . 1 1 102 102 PHE N N 199 123.141 123.141 124.465 -1.324 17752 3666 1 6 . 1 1 102 102 PHE HA H 199 5.867 5.867 5.115 0.752 17752 3667 1 6 . 1 1 102 102 PHE C C 199 175.273 175.273 175.521 -0.248 17752 3668 1 6 . 1 1 102 102 PHE CA C 199 55.877 55.877 57.801 -1.924 17752 3669 1 6 . 1 1 102 102 PHE CB C 199 42.052 42.052 40.876 1.176 17752 3670 1 6 . 1 1 102 102 PHE H H 199 8.419 8.419 8.831 -0.412 17752 3671 1 6 . 1 1 103 103 ILE N N 200 118.251 118.251 121.448 -3.197 17752 3672 1 6 . 1 1 103 103 ILE HA H 200 4.674 4.674 4.605 0.069 17752 3673 1 6 . 1 1 103 103 ILE C C 200 171.732 171.732 173.436 -1.704 17752 3674 1 6 . 1 1 103 103 ILE CA C 200 58.046 58.046 58.776 -0.730 17752 3675 1 6 . 1 1 103 103 ILE CB C 200 41.631 41.631 42.680 -1.049 17752 3676 1 6 . 1 1 103 103 ILE H H 200 8.940 8.940 9.258 -0.318 17752 3677 1 6 . 1 1 104 104 GLN N N 201 127.961 127.961 121.741 6.220 17752 3678 1 6 . 1 1 104 104 GLN HA H 201 4.592 4.592 4.878 -0.286 17752 3679 1 6 . 1 1 104 104 GLN C C 201 174.363 174.363 173.924 0.439 17752 3680 1 6 . 1 1 104 104 GLN CA C 201 54.484 54.484 54.522 -0.038 17752 3681 1 6 . 1 1 104 104 GLN CB C 201 29.320 29.320 32.086 -2.766 17752 3682 1 6 . 1 1 104 104 GLN H H 201 8.641 8.641 8.348 0.293 17752 3683 1 6 . 1 1 105 105 ILE N N 202 129.177 129.177 122.291 6.886 17752 3684 1 6 . 1 1 105 105 ILE HA H 202 4.406 4.406 4.485 -0.079 17752 3685 1 6 . 1 1 105 105 ILE C C 202 175.609 175.609 174.936 0.673 17752 3686 1 6 . 1 1 105 105 ILE CA C 202 56.023 56.023 57.132 -1.109 17752 3687 1 6 . 1 1 105 105 ILE CB C 202 35.689 35.689 37.656 -1.967 17752 3688 1 6 . 1 1 105 105 ILE H H 202 8.676 8.676 8.955 -0.279 17752 3689 1 6 . 1 1 106 106 PRO HA H 203 4.578 4.578 4.588 -0.010 17752 3690 1 6 . 1 1 106 106 PRO CB C 203 33.030 33.030 32.684 0.346 17752 3691 1 6 . 1 1 107 107 SER N N 204 115.204 115.204 116.257 -1.053 17752 3692 1 6 . 1 1 107 107 SER HA H 204 4.108 4.108 4.341 -0.233 17752 3693 1 6 . 1 1 107 107 SER C C 204 173.757 173.757 174.507 -0.750 17752 3694 1 6 . 1 1 107 107 SER CA C 204 60.355 60.355 60.641 -0.285 17752 3695 1 6 . 1 1 107 107 SER CB C 204 63.094 63.094 63.007 0.087 17752 3696 1 6 . 1 1 107 107 SER H H 204 7.914 7.914 8.698 -0.784 17752 3697 1 6 . 1 1 108 108 ASP N N 205 118.737 118.737 118.341 0.396 17752 3698 1 6 . 1 1 108 108 ASP HA H 205 4.659 4.659 4.625 0.034 17752 3699 1 6 . 1 1 108 108 ASP C C 205 175.704 175.704 175.557 0.147 17752 3700 1 6 . 1 1 108 108 ASP CA C 205 53.229 53.229 53.776 -0.548 17752 3701 1 6 . 1 1 108 108 ASP CB C 205 40.152 40.152 40.240 -0.088 17752 3702 1 6 . 1 1 108 108 ASP H H 205 8.244 8.244 8.146 0.098 17752 3703 1 6 . 1 1 109 109 PHE N N 206 120.285 120.285 120.862 -0.577 17752 3704 1 6 . 1 1 109 109 PHE HA H 206 4.411 4.411 4.452 -0.041 17752 3705 1 6 . 1 1 109 109 PHE C C 206 174.781 174.781 174.593 0.188 17752 3706 1 6 . 1 1 109 109 PHE CA C 206 58.706 58.706 59.804 -1.099 17752 3707 1 6 . 1 1 109 109 PHE CB C 206 40.075 40.075 40.136 -0.061 17752 3708 1 6 . 1 1 109 109 PHE H H 206 7.595 7.595 7.846 -0.251 17752 3709 1 6 . 1 1 110 110 THR N N 207 115.253 115.253 116.481 -1.228 17752 3710 1 6 . 1 1 110 110 THR HA H 207 4.294 4.294 4.582 -0.288 17752 3711 1 6 . 1 1 110 110 THR C C 207 173.714 173.714 172.980 0.734 17752 3712 1 6 . 1 1 110 110 THR CA C 207 61.742 61.742 61.166 0.576 17752 3713 1 6 . 1 1 110 110 THR CB C 207 70.070 70.070 70.173 -0.103 17752 3714 1 6 . 1 1 110 110 THR H H 207 7.812 7.812 7.416 0.396 17752 3715 1 6 . 1 1 111 111 MET N N 208 122.575 122.575 122.185 0.390 17752 3716 1 6 . 1 1 111 111 MET HA H 208 4.555 4.555 4.788 -0.233 17752 3717 1 6 . 1 1 111 111 MET C C 208 175.656 175.656 175.062 0.594 17752 3718 1 6 . 1 1 111 111 MET CA C 208 55.451 55.451 54.524 0.927 17752 3719 1 6 . 1 1 111 111 MET CB C 208 33.175 33.175 32.563 0.612 17752 3720 1 6 . 1 1 111 111 MET H H 208 8.391 8.391 8.545 -0.154 17752 3721 1 6 . 1 1 112 112 ASN N N 209 120.351 120.351 125.015 -4.664 17752 3722 1 6 . 1 1 112 112 ASN HA H 209 4.785 4.785 4.799 -0.014 17752 3723 1 6 . 1 1 112 112 ASN C C 209 173.846 173.846 174.572 -0.726 17752 3724 1 6 . 1 1 112 112 ASN CA C 209 53.341 53.341 53.433 -0.092 17752 3725 1 6 . 1 1 112 112 ASN CB C 209 39.600 39.600 36.958 2.642 17752 3726 1 6 . 1 1 112 112 ASN H H 209 8.442 8.442 8.839 -0.397 17752 3727 1 7 . 1 1 2 2 TYR HA H 99 4.624 4.624 4.641 -0.017 17752 3728 1 7 . 1 1 2 2 TYR C C 99 174.994 174.994 176.043 -1.049 17752 3729 1 7 . 1 1 2 2 TYR CA C 99 57.524 57.524 58.428 -0.904 17752 3730 1 7 . 1 1 2 2 TYR CB C 99 38.543 38.543 39.706 -1.163 17752 3731 1 7 . 1 1 3 3 ILE N N 100 124.242 124.242 115.659 8.583 17752 3732 1 7 . 1 1 3 3 ILE HA H 100 4.058 4.058 3.729 0.329 17752 3733 1 7 . 1 1 3 3 ILE C C 100 174.994 174.994 174.003 0.991 17752 3734 1 7 . 1 1 3 3 ILE CA C 100 60.621 60.621 63.204 -2.583 17752 3735 1 7 . 1 1 3 3 ILE CB C 100 38.685 38.685 37.233 1.452 17752 3736 1 7 . 1 1 3 3 ILE H H 100 8.034 8.034 8.021 0.013 17752 3737 1 7 . 1 1 4 4 VAL N N 101 123.770 123.770 121.111 2.659 17752 3738 1 7 . 1 1 4 4 VAL HA H 101 4.024 4.024 4.309 -0.285 17752 3739 1 7 . 1 1 4 4 VAL C C 101 174.457 174.457 174.862 -0.405 17752 3740 1 7 . 1 1 4 4 VAL CA C 101 62.142 62.142 62.090 0.052 17752 3741 1 7 . 1 1 4 4 VAL CB C 101 32.961 32.961 32.092 0.869 17752 3742 1 7 . 1 1 4 4 VAL H H 101 7.858 7.858 7.746 0.112 17752 3743 1 7 . 1 1 5 5 GLN N N 102 124.937 124.937 127.097 -2.160 17752 3744 1 7 . 1 1 5 5 GLN HA H 102 4.859 4.859 4.699 0.160 17752 3745 1 7 . 1 1 5 5 GLN C C 102 173.189 173.189 173.642 -0.453 17752 3746 1 7 . 1 1 5 5 GLN CA C 102 52.458 52.458 52.457 0.001 17752 3747 1 7 . 1 1 5 5 GLN CB C 102 30.185 30.185 30.845 -0.660 17752 3748 1 7 . 1 1 5 5 GLN H H 102 8.269 8.269 8.168 0.101 17752 3749 1 7 . 1 1 6 6 PRO HA H 103 4.533 4.533 4.504 0.029 17752 3750 1 7 . 1 1 6 6 PRO C C 103 175.646 175.646 175.718 -0.072 17752 3751 1 7 . 1 1 6 6 PRO CA C 103 62.290 62.290 62.921 -0.631 17752 3752 1 7 . 1 1 6 6 PRO CB C 103 31.983 31.983 32.295 -0.312 17752 3753 1 7 . 1 1 7 7 ASP N N 104 120.340 120.340 124.142 -3.802 17752 3754 1 7 . 1 1 7 7 ASP HA H 104 4.851 4.851 4.852 -0.001 17752 3755 1 7 . 1 1 7 7 ASP C C 104 171.565 171.565 174.832 -3.267 17752 3756 1 7 . 1 1 7 7 ASP CA C 104 53.742 53.742 51.049 2.693 17752 3757 1 7 . 1 1 7 7 ASP CB C 104 40.258 40.258 40.791 -0.533 17752 3758 1 7 . 1 1 7 7 ASP H H 104 7.897 7.897 8.487 -0.590 17752 3759 1 7 . 1 1 9 9 PRO HA H 106 4.332 4.332 4.624 -0.292 17752 3760 1 7 . 1 1 9 9 PRO C C 106 174.091 174.091 176.546 -2.455 17752 3761 1 7 . 1 1 9 9 PRO CA C 106 62.569 62.569 63.019 -0.450 17752 3762 1 7 . 1 1 9 9 PRO CB C 106 32.391 32.391 31.682 0.709 17752 3763 1 7 . 1 1 10 10 LEU N N 107 118.910 118.910 123.114 -4.204 17752 3764 1 7 . 1 1 10 10 LEU HA H 107 4.642 4.642 4.603 0.039 17752 3765 1 7 . 1 1 10 10 LEU C C 107 175.964 175.964 177.059 -1.095 17752 3766 1 7 . 1 1 10 10 LEU CA C 107 53.919 53.919 53.355 0.564 17752 3767 1 7 . 1 1 10 10 LEU CB C 107 46.315 46.315 42.307 4.008 17752 3768 1 7 . 1 1 10 10 LEU H H 107 7.793 7.793 7.698 0.095 17752 3769 1 7 . 1 1 11 11 GLU N N 108 113.307 113.307 114.288 -0.981 17752 3770 1 7 . 1 1 11 11 GLU HA H 108 3.805 3.805 3.932 -0.127 17752 3771 1 7 . 1 1 11 11 GLU C C 108 175.118 175.118 175.166 -0.048 17752 3772 1 7 . 1 1 11 11 GLU CA C 108 56.418 56.418 57.028 -0.610 17752 3773 1 7 . 1 1 11 11 GLU CB C 108 27.789 27.789 27.883 -0.094 17752 3774 1 7 . 1 1 11 11 GLU H H 108 8.539 8.539 8.670 -0.131 17752 3775 1 7 . 1 1 12 12 LEU N N 109 120.420 120.420 120.620 -0.200 17752 3776 1 7 . 1 1 12 12 LEU HA H 109 4.903 4.903 4.382 0.521 17752 3777 1 7 . 1 1 12 12 LEU C C 109 176.238 176.238 176.090 0.148 17752 3778 1 7 . 1 1 12 12 LEU CA C 109 56.228 56.228 55.571 0.658 17752 3779 1 7 . 1 1 12 12 LEU CB C 109 42.021 42.021 41.964 0.057 17752 3780 1 7 . 1 1 12 12 LEU H H 109 8.053 8.053 7.773 0.280 17752 3781 1 7 . 1 1 13 13 ALA N N 110 132.286 132.286 132.251 0.035 17752 3782 1 7 . 1 1 13 13 ALA HA H 110 4.833 4.833 4.770 0.063 17752 3783 1 7 . 1 1 13 13 ALA C C 110 175.560 175.560 175.321 0.239 17752 3784 1 7 . 1 1 13 13 ALA CA C 110 51.152 51.152 51.113 0.039 17752 3785 1 7 . 1 1 13 13 ALA CB C 110 21.788 21.788 20.667 1.121 17752 3786 1 7 . 1 1 13 13 ALA H H 110 9.653 9.653 9.086 0.567 17752 3787 1 7 . 1 1 14 14 VAL N N 111 116.305 116.305 125.388 -9.083 17752 3788 1 7 . 1 1 14 14 VAL HA H 111 5.293 5.293 4.930 0.363 17752 3789 1 7 . 1 1 14 14 VAL C C 111 174.459 174.459 175.447 -0.988 17752 3790 1 7 . 1 1 14 14 VAL CA C 111 59.146 59.146 61.075 -1.929 17752 3791 1 7 . 1 1 14 14 VAL CB C 111 35.256 35.256 33.934 1.322 17752 3792 1 7 . 1 1 14 14 VAL H H 111 8.477 8.477 8.604 -0.127 17752 3793 1 7 . 1 1 15 15 GLU N N 112 122.235 122.235 126.066 -3.831 17752 3794 1 7 . 1 1 15 15 GLU HA H 112 4.659 4.659 4.751 -0.092 17752 3795 1 7 . 1 1 15 15 GLU C C 112 174.581 174.581 174.253 0.328 17752 3796 1 7 . 1 1 15 15 GLU CA C 112 55.224 55.224 53.913 1.311 17752 3797 1 7 . 1 1 15 15 GLU CB C 112 34.744 34.744 33.437 1.307 17752 3798 1 7 . 1 1 15 15 GLU H H 112 8.947 8.947 8.971 -0.024 17752 3799 1 7 . 1 1 16 16 VAL N N 113 124.568 124.568 121.748 2.820 17752 3800 1 7 . 1 1 16 16 VAL HA H 113 4.441 4.441 4.377 0.064 17752 3801 1 7 . 1 1 16 16 VAL C C 113 175.480 175.480 174.892 0.588 17752 3802 1 7 . 1 1 16 16 VAL CA C 113 62.281 62.281 61.084 1.197 17752 3803 1 7 . 1 1 16 16 VAL CB C 113 31.565 31.565 33.347 -1.782 17752 3804 1 7 . 1 1 16 16 VAL H H 113 9.044 9.044 8.626 0.418 17752 3805 1 7 . 1 1 17 17 LYS N N 114 128.676 128.676 128.818 -0.142 17752 3806 1 7 . 1 1 17 17 LYS HA H 114 4.403 4.403 4.583 -0.180 17752 3807 1 7 . 1 1 17 17 LYS C C 114 174.547 174.547 174.744 -0.197 17752 3808 1 7 . 1 1 17 17 LYS CA C 114 53.518 53.518 54.032 -0.514 17752 3809 1 7 . 1 1 17 17 LYS CB C 114 32.995 32.995 33.748 -0.753 17752 3810 1 7 . 1 1 17 17 LYS H H 114 8.788 8.788 9.013 -0.225 17752 3811 1 7 . 1 1 18 18 GLN N N 115 119.854 119.854 123.849 -3.995 17752 3812 1 7 . 1 1 18 18 GLN HA H 115 4.691 4.691 4.470 0.221 17752 3813 1 7 . 1 1 18 18 GLN C C 115 172.587 172.587 174.136 -1.549 17752 3814 1 7 . 1 1 18 18 GLN CA C 115 52.787 52.787 53.619 -0.832 17752 3815 1 7 . 1 1 18 18 GLN CB C 115 30.109 30.109 29.450 0.659 17752 3816 1 7 . 1 1 18 18 GLN H H 115 8.537 8.537 8.523 0.014 17752 3817 1 7 . 1 1 19 19 PRO HA H 116 4.526 4.526 4.536 -0.010 17752 3818 1 7 . 1 1 19 19 PRO C C 116 176.958 176.958 175.991 0.967 17752 3819 1 7 . 1 1 19 19 PRO CA C 116 62.106 62.106 62.056 0.050 17752 3820 1 7 . 1 1 19 19 PRO CB C 116 32.375 32.375 32.343 0.032 17752 3821 1 7 . 1 1 20 20 GLU N N 117 119.774 119.774 121.639 -1.865 17752 3822 1 7 . 1 1 20 20 GLU HA H 117 4.079 4.079 4.199 -0.120 17752 3823 1 7 . 1 1 20 20 GLU C C 117 176.961 176.961 176.246 0.715 17752 3824 1 7 . 1 1 20 20 GLU CA C 117 58.256 58.256 56.322 1.934 17752 3825 1 7 . 1 1 20 20 GLU CB C 117 29.653 29.653 30.415 -0.762 17752 3826 1 7 . 1 1 20 20 GLU H H 117 8.806 8.806 8.443 0.363 17752 3827 1 7 . 1 1 21 21 ASP N N 118 116.513 116.513 118.299 -1.786 17752 3828 1 7 . 1 1 21 21 ASP HA H 118 4.482 4.482 4.362 0.120 17752 3829 1 7 . 1 1 21 21 ASP C C 118 175.271 175.271 175.475 -0.204 17752 3830 1 7 . 1 1 21 21 ASP CA C 118 54.231 54.231 55.654 -1.423 17752 3831 1 7 . 1 1 21 21 ASP CB C 118 40.460 40.460 40.467 -0.007 17752 3832 1 7 . 1 1 21 21 ASP H H 118 8.449 8.449 8.672 -0.223 17752 3833 1 7 . 1 1 22 22 ARG N N 119 115.342 115.342 117.900 -2.558 17752 3834 1 7 . 1 1 22 22 ARG HA H 119 4.491 4.491 4.541 -0.050 17752 3835 1 7 . 1 1 22 22 ARG C C 119 174.745 174.745 174.281 0.464 17752 3836 1 7 . 1 1 22 22 ARG CA C 119 54.806 54.806 54.453 0.353 17752 3837 1 7 . 1 1 22 22 ARG CB C 119 32.004 32.004 33.209 -1.205 17752 3838 1 7 . 1 1 22 22 ARG H H 119 7.448 7.448 7.490 -0.042 17752 3839 1 7 . 1 1 23 23 LYS N N 120 119.981 119.981 121.882 -1.901 17752 3840 1 7 . 1 1 23 23 LYS HA H 120 4.489 4.489 4.391 0.098 17752 3841 1 7 . 1 1 23 23 LYS C C 120 173.641 173.641 175.351 -1.710 17752 3842 1 7 . 1 1 23 23 LYS CA C 120 54.621 54.621 54.026 0.594 17752 3843 1 7 . 1 1 23 23 LYS CB C 120 31.611 31.611 32.039 -0.428 17752 3844 1 7 . 1 1 23 23 LYS H H 120 7.982 7.982 8.408 -0.426 17752 3845 1 7 . 1 1 24 24 PRO HA H 121 4.813 4.813 4.282 0.531 17752 3846 1 7 . 1 1 24 24 PRO C C 121 174.901 174.901 175.378 -0.477 17752 3847 1 7 . 1 1 24 24 PRO CA C 121 62.720 62.720 62.722 -0.002 17752 3848 1 7 . 1 1 24 24 PRO CB C 121 33.066 33.066 31.968 1.098 17752 3849 1 7 . 1 1 25 25 TYR N N 122 111.573 111.573 116.785 -5.212 17752 3850 1 7 . 1 1 25 25 TYR HA H 122 5.134 5.134 5.329 -0.195 17752 3851 1 7 . 1 1 25 25 TYR C C 122 172.672 172.672 173.307 -0.635 17752 3852 1 7 . 1 1 25 25 TYR CA C 122 55.650 55.650 55.833 -0.183 17752 3853 1 7 . 1 1 25 25 TYR CB C 122 40.394 40.394 41.070 -0.676 17752 3854 1 7 . 1 1 25 25 TYR H H 122 8.287 8.287 8.469 -0.182 17752 3855 1 7 . 1 1 26 26 LEU N N 123 120.288 120.288 121.804 -1.516 17752 3856 1 7 . 1 1 26 26 LEU HA H 123 4.907 4.907 4.910 -0.003 17752 3857 1 7 . 1 1 26 26 LEU C C 123 174.277 174.277 175.434 -1.157 17752 3858 1 7 . 1 1 26 26 LEU CA C 123 53.789 53.789 54.314 -0.525 17752 3859 1 7 . 1 1 26 26 LEU CB C 123 44.717 44.717 44.989 -0.272 17752 3860 1 7 . 1 1 26 26 LEU H H 123 9.073 9.073 8.764 0.309 17752 3861 1 7 . 1 1 27 27 TRP N N 124 130.187 130.187 131.240 -1.053 17752 3862 1 7 . 1 1 27 27 TRP HA H 124 5.555 5.555 5.413 0.142 17752 3863 1 7 . 1 1 27 27 TRP C C 124 173.810 173.810 174.397 -0.587 17752 3864 1 7 . 1 1 27 27 TRP CA C 124 55.161 55.161 54.542 0.619 17752 3865 1 7 . 1 1 27 27 TRP CB C 124 31.383 31.383 30.963 0.420 17752 3866 1 7 . 1 1 27 27 TRP H H 124 9.628 9.628 9.568 0.060 17752 3867 1 7 . 1 1 28 28 ILE N N 125 128.941 128.941 129.714 -0.773 17752 3868 1 7 . 1 1 28 28 ILE HA H 125 4.814 4.814 4.688 0.126 17752 3869 1 7 . 1 1 28 28 ILE C C 125 173.004 173.004 173.951 -0.947 17752 3870 1 7 . 1 1 28 28 ILE CA C 125 60.152 60.152 60.226 -0.074 17752 3871 1 7 . 1 1 28 28 ILE CB C 125 41.018 41.018 39.189 1.829 17752 3872 1 7 . 1 1 28 28 ILE H H 125 8.867 8.867 9.437 -0.570 17752 3873 1 7 . 1 1 29 29 LYS N N 126 124.705 124.705 127.490 -2.785 17752 3874 1 7 . 1 1 29 29 LYS HA H 126 4.553 4.553 4.469 0.084 17752 3875 1 7 . 1 1 29 29 LYS C C 126 173.764 173.764 174.222 -0.458 17752 3876 1 7 . 1 1 29 29 LYS CA C 126 55.137 55.137 54.020 1.117 17752 3877 1 7 . 1 1 29 29 LYS CB C 126 35.952 35.952 35.938 0.014 17752 3878 1 7 . 1 1 29 29 LYS H H 126 8.789 8.789 8.842 -0.053 17752 3879 1 7 . 1 1 30 30 TRP N N 127 118.127 118.127 124.243 -6.116 17752 3880 1 7 . 1 1 30 30 TRP HA H 127 5.010 5.010 5.122 -0.112 17752 3881 1 7 . 1 1 30 30 TRP C C 127 173.354 173.354 174.310 -0.956 17752 3882 1 7 . 1 1 30 30 TRP CA C 127 57.079 57.079 54.492 2.587 17752 3883 1 7 . 1 1 30 30 TRP CB C 127 29.480 29.480 31.413 -1.933 17752 3884 1 7 . 1 1 30 30 TRP H H 127 7.408 7.408 7.147 0.261 17752 3885 1 7 . 1 1 31 31 SER N N 128 113.791 113.791 118.437 -4.646 17752 3886 1 7 . 1 1 31 31 SER HA H 128 5.137 5.137 4.758 0.379 17752 3887 1 7 . 1 1 31 31 SER C C 128 171.258 171.258 172.859 -1.601 17752 3888 1 7 . 1 1 31 31 SER CA C 128 55.299 55.299 56.519 -1.220 17752 3889 1 7 . 1 1 31 31 SER CB C 128 63.849 63.849 63.436 0.413 17752 3890 1 7 . 1 1 31 31 SER H H 128 8.972 8.972 8.750 0.222 17752 3891 1 7 . 1 1 32 32 PRO HA H 129 4.953 4.953 4.613 0.340 17752 3892 1 7 . 1 1 33 33 PRO HA H 130 4.515 4.515 4.316 0.199 17752 3893 1 7 . 1 1 33 33 PRO C C 130 176.322 176.322 178.020 -1.698 17752 3894 1 7 . 1 1 33 33 PRO CA C 130 62.668 62.668 63.461 -0.792 17752 3895 1 7 . 1 1 33 33 PRO CB C 130 32.077 32.077 31.939 0.137 17752 3896 1 7 . 1 1 34 34 THR N N 131 113.844 113.844 115.370 -1.526 17752 3897 1 7 . 1 1 34 34 THR HA H 131 4.147 4.147 4.157 -0.010 17752 3898 1 7 . 1 1 34 34 THR C C 131 174.576 174.576 175.334 -0.758 17752 3899 1 7 . 1 1 34 34 THR CA C 131 62.833 62.833 65.307 -2.474 17752 3900 1 7 . 1 1 34 34 THR CB C 131 69.346 69.346 69.112 0.234 17752 3901 1 7 . 1 1 34 34 THR H H 131 8.128 8.128 8.568 -0.440 17752 3902 1 7 . 1 1 35 35 LEU N N 132 125.831 125.831 121.716 4.115 17752 3903 1 7 . 1 1 35 35 LEU HA H 132 4.432 4.432 4.553 -0.121 17752 3904 1 7 . 1 1 35 35 LEU C C 132 176.794 176.794 175.967 0.827 17752 3905 1 7 . 1 1 35 35 LEU CA C 132 54.799 54.799 54.110 0.689 17752 3906 1 7 . 1 1 35 35 LEU CB C 132 42.344 42.344 42.480 -0.136 17752 3907 1 7 . 1 1 35 35 LEU H H 132 8.336 8.336 7.903 0.433 17752 3908 1 7 . 1 1 36 36 ILE N N 133 121.733 121.733 122.937 -1.204 17752 3909 1 7 . 1 1 36 36 ILE HA H 133 4.070 4.070 4.060 0.010 17752 3910 1 7 . 1 1 36 36 ILE C C 133 175.690 175.690 176.367 -0.677 17752 3911 1 7 . 1 1 36 36 ILE CA C 133 61.695 61.695 62.833 -1.138 17752 3912 1 7 . 1 1 36 36 ILE CB C 133 38.553 38.553 39.142 -0.589 17752 3913 1 7 . 1 1 36 36 ILE H H 133 8.054 8.054 8.268 -0.214 17752 3914 1 7 . 1 1 37 37 ASP N N 134 121.852 121.852 116.895 4.957 17752 3915 1 7 . 1 1 37 37 ASP HA H 134 4.573 4.573 4.460 0.113 17752 3916 1 7 . 1 1 37 37 ASP C C 134 176.011 176.011 175.875 0.136 17752 3917 1 7 . 1 1 37 37 ASP CA C 134 54.346 54.346 54.953 -0.607 17752 3918 1 7 . 1 1 37 37 ASP CB C 134 41.096 41.096 40.714 0.382 17752 3919 1 7 . 1 1 37 37 ASP H H 134 8.254 8.254 8.513 -0.259 17752 3920 1 7 . 1 1 38 38 LEU N N 135 122.044 122.044 120.568 1.476 17752 3921 1 7 . 1 1 38 38 LEU HA H 135 4.225 4.225 4.552 -0.327 17752 3922 1 7 . 1 1 38 38 LEU C C 135 177.779 177.779 177.374 0.405 17752 3923 1 7 . 1 1 38 38 LEU CA C 135 55.748 55.748 54.402 1.346 17752 3924 1 7 . 1 1 38 38 LEU CB C 135 42.220 42.220 42.258 -0.038 17752 3925 1 7 . 1 1 38 38 LEU H H 135 8.052 8.052 8.040 0.012 17752 3926 1 7 . 1 1 39 39 LYS N N 136 119.589 119.589 120.662 -1.073 17752 3927 1 7 . 1 1 39 39 LYS HA H 136 4.225 4.225 4.276 -0.051 17752 3928 1 7 . 1 1 39 39 LYS C C 136 177.024 177.024 177.257 -0.233 17752 3929 1 7 . 1 1 39 39 LYS CA C 136 57.161 57.161 58.019 -0.858 17752 3930 1 7 . 1 1 39 39 LYS CB C 136 32.220 32.220 32.644 -0.424 17752 3931 1 7 . 1 1 39 39 LYS H H 136 8.295 8.295 7.788 0.507 17752 3932 1 7 . 1 1 40 40 THR N N 137 112.003 112.003 111.835 0.168 17752 3933 1 7 . 1 1 40 40 THR HA H 137 4.189 4.189 4.475 -0.286 17752 3934 1 7 . 1 1 40 40 THR C C 137 174.914 174.914 174.509 0.405 17752 3935 1 7 . 1 1 40 40 THR CA C 137 62.152 62.152 62.470 -0.318 17752 3936 1 7 . 1 1 40 40 THR CB C 137 69.513 69.513 68.102 1.411 17752 3937 1 7 . 1 1 40 40 THR H H 137 7.787 7.787 8.117 -0.330 17752 3938 1 7 . 1 1 41 41 GLY N N 138 109.975 109.975 109.840 0.135 17752 3939 1 7 . 1 1 41 41 GLY C C 138 173.470 173.470 172.600 0.870 17752 3940 1 7 . 1 1 41 41 GLY CA C 138 45.370 45.370 45.097 0.273 17752 3941 1 7 . 1 1 41 41 GLY H H 138 8.017 8.017 7.303 0.714 17752 3942 1 7 . 1 1 42 42 TRP N N 139 119.581 119.581 118.910 0.671 17752 3943 1 7 . 1 1 42 42 TRP HA H 139 4.634 4.634 4.869 -0.235 17752 3944 1 7 . 1 1 42 42 TRP C C 139 175.349 175.349 175.321 0.028 17752 3945 1 7 . 1 1 42 42 TRP CA C 139 56.762 56.762 55.188 1.574 17752 3946 1 7 . 1 1 42 42 TRP CB C 139 29.199 29.199 30.110 -0.911 17752 3947 1 7 . 1 1 42 42 TRP H H 139 7.787 7.787 8.108 -0.321 17752 3948 1 7 . 1 1 43 43 PHE N N 140 119.509 119.509 123.602 -4.093 17752 3949 1 7 . 1 1 43 43 PHE HA H 140 4.675 4.675 3.989 0.686 17752 3950 1 7 . 1 1 43 43 PHE C C 140 174.658 174.658 174.777 -0.119 17752 3951 1 7 . 1 1 43 43 PHE CA C 140 57.106 57.106 58.573 -1.467 17752 3952 1 7 . 1 1 43 43 PHE CB C 140 40.150 40.150 38.878 1.272 17752 3953 1 7 . 1 1 43 43 PHE H H 140 7.871 7.871 7.682 0.189 17752 3954 1 7 . 1 1 44 44 THR N N 141 116.290 116.290 122.560 -6.270 17752 3955 1 7 . 1 1 44 44 THR HA H 141 4.323 4.323 4.298 0.025 17752 3956 1 7 . 1 1 44 44 THR C C 141 173.009 173.009 173.123 -0.114 17752 3957 1 7 . 1 1 44 44 THR CA C 141 61.830 61.830 60.974 0.856 17752 3958 1 7 . 1 1 44 44 THR CB C 141 70.489 70.489 70.175 0.314 17752 3959 1 7 . 1 1 44 44 THR H H 141 8.380 8.380 7.678 0.702 17752 3960 1 7 . 1 1 45 45 LEU N N 142 124.270 124.270 127.283 -3.013 17752 3961 1 7 . 1 1 45 45 LEU HA H 142 4.519 4.519 4.201 0.318 17752 3962 1 7 . 1 1 45 45 LEU C C 142 174.651 174.651 174.899 -0.248 17752 3963 1 7 . 1 1 45 45 LEU CA C 142 53.847 53.847 53.844 0.003 17752 3964 1 7 . 1 1 45 45 LEU CB C 142 44.418 44.418 42.740 1.678 17752 3965 1 7 . 1 1 45 45 LEU H H 142 7.972 7.972 8.435 -0.463 17752 3966 1 7 . 1 1 46 46 LEU N N 143 120.086 120.086 127.562 -7.476 17752 3967 1 7 . 1 1 46 46 LEU HA H 143 4.666 4.666 4.663 0.003 17752 3968 1 7 . 1 1 46 46 LEU C C 143 176.553 176.553 175.655 0.898 17752 3969 1 7 . 1 1 46 46 LEU CA C 143 52.236 52.236 53.229 -0.993 17752 3970 1 7 . 1 1 46 46 LEU CB C 143 44.725 44.725 42.213 2.512 17752 3971 1 7 . 1 1 46 46 LEU H H 143 8.330 8.330 8.197 0.133 17752 3972 1 7 . 1 1 47 47 TYR N N 144 115.644 115.644 122.479 -6.835 17752 3973 1 7 . 1 1 47 47 TYR HA H 144 5.650 5.650 4.733 0.917 17752 3974 1 7 . 1 1 47 47 TYR C C 144 175.013 175.013 175.300 -0.287 17752 3975 1 7 . 1 1 47 47 TYR CA C 144 57.301 57.301 56.567 0.734 17752 3976 1 7 . 1 1 47 47 TYR CB C 144 43.200 43.200 40.807 2.393 17752 3977 1 7 . 1 1 47 47 TYR H H 144 8.674 8.674 8.792 -0.118 17752 3978 1 7 . 1 1 48 48 GLU N N 145 120.669 120.669 119.812 0.857 17752 3979 1 7 . 1 1 48 48 GLU HA H 145 4.835 4.835 4.676 0.159 17752 3980 1 7 . 1 1 48 48 GLU C C 145 173.623 173.623 174.865 -1.242 17752 3981 1 7 . 1 1 48 48 GLU CA C 145 54.810 54.810 54.941 -0.131 17752 3982 1 7 . 1 1 48 48 GLU CB C 145 35.923 35.923 33.762 2.161 17752 3983 1 7 . 1 1 48 48 GLU H H 145 8.186 8.186 8.324 -0.138 17752 3984 1 7 . 1 1 49 49 ILE N N 146 118.773 118.773 124.273 -5.500 17752 3985 1 7 . 1 1 49 49 ILE HA H 146 5.069 5.069 5.066 0.003 17752 3986 1 7 . 1 1 49 49 ILE C C 146 174.840 174.840 174.552 0.288 17752 3987 1 7 . 1 1 49 49 ILE CA C 146 58.375 58.375 59.645 -1.270 17752 3988 1 7 . 1 1 49 49 ILE CB C 146 42.256 42.256 39.722 2.534 17752 3989 1 7 . 1 1 49 49 ILE H H 146 8.707 8.707 8.945 -0.238 17752 3990 1 7 . 1 1 50 50 ARG N N 147 120.594 120.594 128.870 -8.276 17752 3991 1 7 . 1 1 50 50 ARG HA H 147 5.882 5.882 5.149 0.733 17752 3992 1 7 . 1 1 50 50 ARG C C 147 172.997 172.997 174.434 -1.437 17752 3993 1 7 . 1 1 50 50 ARG CA C 147 53.454 53.454 54.511 -1.058 17752 3994 1 7 . 1 1 50 50 ARG CB C 147 34.273 34.273 31.232 3.041 17752 3995 1 7 . 1 1 50 50 ARG H H 147 8.922 8.922 8.432 0.490 17752 3996 1 7 . 1 1 51 51 LEU N N 148 119.958 119.958 123.506 -3.548 17752 3997 1 7 . 1 1 51 51 LEU HA H 148 6.200 6.200 6.119 0.081 17752 3998 1 7 . 1 1 51 51 LEU C C 148 175.544 175.544 174.866 0.678 17752 3999 1 7 . 1 1 51 51 LEU CA C 148 54.601 54.601 52.252 2.349 17752 4000 1 7 . 1 1 51 51 LEU CB C 148 46.908 46.908 46.450 0.458 17752 4001 1 7 . 1 1 51 51 LEU H H 148 9.242 9.242 9.198 0.044 17752 4002 1 7 . 1 1 52 52 LYS N N 149 116.000 116.000 115.539 0.461 17752 4003 1 7 . 1 1 52 52 LYS HA H 149 4.945 4.945 4.760 0.185 17752 4004 1 7 . 1 1 52 52 LYS C C 149 172.459 172.459 173.394 -0.935 17752 4005 1 7 . 1 1 52 52 LYS CA C 149 54.828 54.828 54.588 0.240 17752 4006 1 7 . 1 1 52 52 LYS CB C 149 32.809 32.809 33.635 -0.826 17752 4007 1 7 . 1 1 52 52 LYS H H 149 8.399 8.399 8.382 0.017 17752 4008 1 7 . 1 1 53 53 PRO HA H 150 4.103 4.103 4.379 -0.276 17752 4009 1 7 . 1 1 53 53 PRO C C 150 178.630 178.630 178.044 0.586 17752 4010 1 7 . 1 1 53 53 PRO CA C 150 61.651 61.651 61.653 -0.002 17752 4011 1 7 . 1 1 53 53 PRO CB C 150 31.521 31.521 32.195 -0.674 17752 4012 1 7 . 1 1 54 54 GLU N N 151 125.100 125.100 119.848 5.252 17752 4013 1 7 . 1 1 54 54 GLU HA H 151 3.580 3.580 3.922 -0.342 17752 4014 1 7 . 1 1 54 54 GLU C C 151 176.912 176.912 176.562 0.350 17752 4015 1 7 . 1 1 54 54 GLU CA C 151 60.163 60.163 58.021 2.142 17752 4016 1 7 . 1 1 54 54 GLU CB C 151 30.024 30.024 28.910 1.114 17752 4017 1 7 . 1 1 54 54 GLU H H 151 8.865 8.865 8.253 0.612 17752 4018 1 7 . 1 1 55 55 LYS N N 152 113.857 113.857 117.137 -3.280 17752 4019 1 7 . 1 1 55 55 LYS HA H 152 4.150 4.150 4.339 -0.189 17752 4020 1 7 . 1 1 55 55 LYS C C 152 176.530 176.530 175.351 1.179 17752 4021 1 7 . 1 1 55 55 LYS CA C 152 56.088 56.088 55.331 0.757 17752 4022 1 7 . 1 1 55 55 LYS CB C 152 31.681 31.681 31.811 -0.130 17752 4023 1 7 . 1 1 55 55 LYS H H 152 8.356 8.356 7.953 0.403 17752 4024 1 7 . 1 1 56 56 ALA N N 153 121.720 121.720 122.420 -0.700 17752 4025 1 7 . 1 1 56 56 ALA HA H 153 4.252 4.252 4.456 -0.204 17752 4026 1 7 . 1 1 56 56 ALA C C 153 177.098 177.098 176.408 0.690 17752 4027 1 7 . 1 1 56 56 ALA CA C 153 51.651 51.651 50.611 1.040 17752 4028 1 7 . 1 1 56 56 ALA CB C 153 20.289 20.289 20.092 0.197 17752 4029 1 7 . 1 1 56 56 ALA H H 153 7.359 7.359 7.654 -0.294 17752 4030 1 7 . 1 1 57 57 ALA HA H 154 4.171 4.171 4.155 0.016 17752 4031 1 7 . 1 1 57 57 ALA C C 154 177.719 177.719 177.992 -0.273 17752 4032 1 7 . 1 1 57 57 ALA CA C 154 53.285 53.285 53.172 0.113 17752 4033 1 7 . 1 1 57 57 ALA CB C 154 19.767 19.767 18.903 0.864 17752 4034 1 7 . 1 1 58 58 GLU N N 155 115.658 115.658 118.733 -3.075 17752 4035 1 7 . 1 1 58 58 GLU HA H 155 4.556 4.556 4.378 0.178 17752 4036 1 7 . 1 1 58 58 GLU C C 155 174.857 174.857 175.044 -0.187 17752 4037 1 7 . 1 1 58 58 GLU CA C 155 54.771 54.771 55.312 -0.541 17752 4038 1 7 . 1 1 58 58 GLU CB C 155 32.247 32.247 30.349 1.898 17752 4039 1 7 . 1 1 58 58 GLU H H 155 7.527 7.527 8.111 -0.584 17752 4040 1 7 . 1 1 59 59 TRP N N 156 121.007 121.007 124.140 -3.133 17752 4041 1 7 . 1 1 59 59 TRP HA H 156 4.334 4.334 4.414 -0.080 17752 4042 1 7 . 1 1 59 59 TRP C C 156 176.227 176.227 176.273 -0.046 17752 4043 1 7 . 1 1 59 59 TRP CA C 156 56.986 56.986 57.587 -0.601 17752 4044 1 7 . 1 1 59 59 TRP CB C 156 31.064 31.064 30.199 0.865 17752 4045 1 7 . 1 1 59 59 TRP H H 156 8.499 8.499 8.562 -0.063 17752 4046 1 7 . 1 1 60 60 GLU N N 157 123.107 123.107 123.553 -0.446 17752 4047 1 7 . 1 1 60 60 GLU HA H 157 4.689 4.689 4.707 -0.018 17752 4048 1 7 . 1 1 60 60 GLU C C 157 174.904 174.904 175.151 -0.247 17752 4049 1 7 . 1 1 60 60 GLU CA C 157 55.797 55.797 54.909 0.888 17752 4050 1 7 . 1 1 60 60 GLU CB C 157 31.671 31.671 31.370 0.300 17752 4051 1 7 . 1 1 60 60 GLU H H 157 8.930 8.930 8.791 0.139 17752 4052 1 7 . 1 1 61 61 ILE N N 158 124.822 124.822 127.436 -2.614 17752 4053 1 7 . 1 1 61 61 ILE HA H 158 4.972 4.972 4.430 0.542 17752 4054 1 7 . 1 1 61 61 ILE C C 158 175.938 175.938 175.785 0.153 17752 4055 1 7 . 1 1 61 61 ILE CA C 158 60.029 60.029 60.572 -0.542 17752 4056 1 7 . 1 1 61 61 ILE CB C 158 39.652 39.652 38.890 0.762 17752 4057 1 7 . 1 1 61 61 ILE H H 158 8.371 8.371 8.730 -0.359 17752 4058 1 7 . 1 1 62 62 HIS N N 159 125.647 125.647 126.258 -0.611 17752 4059 1 7 . 1 1 62 62 HIS HA H 159 4.750 4.750 4.912 -0.162 17752 4060 1 7 . 1 1 62 62 HIS C C 159 173.704 173.704 173.535 0.169 17752 4061 1 7 . 1 1 62 62 HIS CA C 159 54.910 54.910 54.331 0.578 17752 4062 1 7 . 1 1 62 62 HIS CB C 159 34.940 34.940 33.081 1.859 17752 4063 1 7 . 1 1 62 62 HIS H H 159 9.326 9.326 9.199 0.127 17752 4064 1 7 . 1 1 63 63 PHE N N 160 124.930 124.930 126.452 -1.522 17752 4065 1 7 . 1 1 63 63 PHE HA H 160 4.897 4.897 4.633 0.264 17752 4066 1 7 . 1 1 63 63 PHE C C 160 174.606 174.606 175.501 -0.895 17752 4067 1 7 . 1 1 63 63 PHE CA C 160 58.097 58.097 57.383 0.715 17752 4068 1 7 . 1 1 63 63 PHE CB C 160 39.192 39.192 39.394 -0.202 17752 4069 1 7 . 1 1 63 63 PHE H H 160 9.207 9.207 9.035 0.172 17752 4070 1 7 . 1 1 64 64 ALA N N 161 130.696 130.696 129.119 1.577 17752 4071 1 7 . 1 1 64 64 ALA HA H 161 4.645 4.645 4.531 0.114 17752 4072 1 7 . 1 1 64 64 ALA C C 161 177.327 177.327 177.812 -0.485 17752 4073 1 7 . 1 1 64 64 ALA CA C 161 51.333 51.333 53.028 -1.695 17752 4074 1 7 . 1 1 64 64 ALA CB C 161 19.696 19.696 19.862 -0.166 17752 4075 1 7 . 1 1 64 64 ALA H H 161 8.371 8.371 8.013 0.358 17752 4076 1 7 . 1 1 65 65 GLY N N 162 105.725 105.725 107.913 -2.188 17752 4077 1 7 . 1 1 65 65 GLY C C 162 173.920 173.920 175.040 -1.120 17752 4078 1 7 . 1 1 65 65 GLY CA C 162 47.245 47.245 44.830 2.415 17752 4079 1 7 . 1 1 65 65 GLY H H 162 6.059 6.059 7.741 -1.682 17752 4080 1 7 . 1 1 66 66 GLN N N 163 122.418 122.418 121.414 1.004 17752 4081 1 7 . 1 1 66 66 GLN HA H 163 5.120 5.120 4.076 1.044 17752 4082 1 7 . 1 1 66 66 GLN C C 163 176.832 176.832 175.265 1.567 17752 4083 1 7 . 1 1 66 66 GLN CA C 163 55.887 55.887 58.799 -2.912 17752 4084 1 7 . 1 1 66 66 GLN CB C 163 30.063 30.063 27.796 2.267 17752 4085 1 7 . 1 1 66 66 GLN H H 163 9.029 9.029 8.680 0.349 17752 4086 1 7 . 1 1 67 67 GLN N N 164 119.220 119.220 119.802 -0.582 17752 4087 1 7 . 1 1 67 67 GLN HA H 164 4.373 4.373 4.244 0.129 17752 4088 1 7 . 1 1 67 67 GLN C C 164 173.020 173.020 175.704 -2.684 17752 4089 1 7 . 1 1 67 67 GLN CA C 164 56.025 56.025 56.551 -0.526 17752 4090 1 7 . 1 1 67 67 GLN CB C 164 30.868 30.868 29.108 1.760 17752 4091 1 7 . 1 1 67 67 GLN H H 164 7.746 7.746 8.132 -0.386 17752 4092 1 7 . 1 1 68 68 THR N N 165 104.368 104.368 109.356 -4.988 17752 4093 1 7 . 1 1 68 68 THR HA H 165 3.264 3.264 3.975 -0.711 17752 4094 1 7 . 1 1 68 68 THR C C 165 171.726 171.726 172.841 -1.115 17752 4095 1 7 . 1 1 68 68 THR CA C 165 58.963 58.963 59.464 -0.501 17752 4096 1 7 . 1 1 68 68 THR CB C 165 66.777 66.777 68.348 -1.571 17752 4097 1 7 . 1 1 68 68 THR H H 165 7.716 7.716 8.171 -0.455 17752 4098 1 7 . 1 1 69 69 GLU N N 166 113.260 113.260 118.652 -5.392 17752 4099 1 7 . 1 1 69 69 GLU HA H 166 4.597 4.597 4.688 -0.091 17752 4100 1 7 . 1 1 69 69 GLU C C 166 174.977 174.977 174.622 0.355 17752 4101 1 7 . 1 1 69 69 GLU CA C 166 53.742 53.742 54.238 -0.496 17752 4102 1 7 . 1 1 69 69 GLU CB C 166 33.177 33.177 33.024 0.153 17752 4103 1 7 . 1 1 69 69 GLU H H 166 6.562 6.562 7.414 -0.852 17752 4104 1 7 . 1 1 70 70 PHE N N 167 122.043 122.043 123.415 -1.372 17752 4105 1 7 . 1 1 70 70 PHE HA H 167 4.545 4.545 5.003 -0.458 17752 4106 1 7 . 1 1 70 70 PHE C C 167 172.620 172.620 173.582 -0.962 17752 4107 1 7 . 1 1 70 70 PHE CA C 167 58.957 58.957 57.062 1.895 17752 4108 1 7 . 1 1 70 70 PHE CB C 167 45.667 45.667 44.337 1.331 17752 4109 1 7 . 1 1 70 70 PHE H H 167 9.385 9.385 9.163 0.222 17752 4110 1 7 . 1 1 71 71 LYS N N 168 122.342 122.342 123.819 -1.477 17752 4111 1 7 . 1 1 71 71 LYS HA H 168 5.667 5.667 5.671 -0.004 17752 4112 1 7 . 1 1 71 71 LYS C C 168 174.656 174.656 175.511 -0.855 17752 4113 1 7 . 1 1 71 71 LYS CA C 168 54.701 54.701 54.453 0.248 17752 4114 1 7 . 1 1 71 71 LYS CB C 168 35.338 35.338 35.245 0.094 17752 4115 1 7 . 1 1 71 71 LYS H H 168 7.129 7.129 7.777 -0.648 17752 4116 1 7 . 1 1 72 72 ILE N N 169 122.191 122.191 123.990 -1.799 17752 4117 1 7 . 1 1 72 72 ILE HA H 169 4.334 4.334 4.296 0.038 17752 4118 1 7 . 1 1 72 72 ILE C C 169 175.258 175.258 175.611 -0.353 17752 4119 1 7 . 1 1 72 72 ILE CA C 169 59.091 59.091 59.009 0.082 17752 4120 1 7 . 1 1 72 72 ILE CB C 169 39.295 39.295 38.625 0.670 17752 4121 1 7 . 1 1 72 72 ILE H H 169 8.978 8.978 8.914 0.064 17752 4122 1 7 . 1 1 73 73 LEU N N 170 126.298 126.298 126.735 -0.437 17752 4123 1 7 . 1 1 73 73 LEU HA H 170 4.647 4.647 4.571 0.076 17752 4124 1 7 . 1 1 73 73 LEU C C 170 176.979 176.979 177.908 -0.929 17752 4125 1 7 . 1 1 73 73 LEU CA C 170 56.171 56.171 55.830 0.341 17752 4126 1 7 . 1 1 73 73 LEU CB C 170 43.187 43.187 42.825 0.362 17752 4127 1 7 . 1 1 73 73 LEU H H 170 8.647 8.647 8.542 0.105 17752 4128 1 7 . 1 1 74 74 SER N N 171 112.997 112.997 115.775 -2.778 17752 4129 1 7 . 1 1 74 74 SER HA H 171 4.792 4.792 4.511 0.281 17752 4130 1 7 . 1 1 74 74 SER C C 171 172.975 172.975 173.981 -1.006 17752 4131 1 7 . 1 1 74 74 SER CA C 171 57.259 57.259 58.356 -1.097 17752 4132 1 7 . 1 1 74 74 SER CB C 171 62.829 62.829 61.930 0.899 17752 4133 1 7 . 1 1 74 74 SER H H 171 7.438 7.438 7.974 -0.536 17752 4134 1 7 . 1 1 75 75 LEU N N 172 124.862 124.862 126.108 -1.246 17752 4135 1 7 . 1 1 75 75 LEU HA H 172 4.454 4.454 4.614 -0.160 17752 4136 1 7 . 1 1 75 75 LEU C C 172 175.166 175.166 175.517 -0.351 17752 4137 1 7 . 1 1 75 75 LEU CA C 172 53.276 53.276 53.569 -0.293 17752 4138 1 7 . 1 1 75 75 LEU CB C 172 45.925 45.925 45.794 0.131 17752 4139 1 7 . 1 1 75 75 LEU H H 172 7.932 7.932 7.846 0.086 17752 4140 1 7 . 1 1 76 76 HIS N N 173 120.512 120.512 119.120 1.392 17752 4141 1 7 . 1 1 76 76 HIS HA H 173 5.027 5.027 5.009 0.018 17752 4142 1 7 . 1 1 76 76 HIS C C 173 173.227 173.227 172.594 0.633 17752 4143 1 7 . 1 1 76 76 HIS CA C 173 53.512 53.512 52.874 0.638 17752 4144 1 7 . 1 1 76 76 HIS CB C 173 30.896 30.896 32.721 -1.825 17752 4145 1 7 . 1 1 76 76 HIS H H 173 8.350 8.350 8.346 0.004 17752 4146 1 7 . 1 1 77 77 PRO HA H 174 4.194 4.194 4.469 -0.275 17752 4147 1 7 . 1 1 77 77 PRO C C 174 178.280 178.280 177.121 1.159 17752 4148 1 7 . 1 1 77 77 PRO CA C 174 63.005 63.005 63.025 -0.020 17752 4149 1 7 . 1 1 77 77 PRO CB C 174 32.946 32.946 31.853 1.093 17752 4150 1 7 . 1 1 78 78 GLY N N 175 109.449 109.449 114.102 -4.653 17752 4151 1 7 . 1 1 78 78 GLY C C 175 173.983 173.983 173.559 0.424 17752 4152 1 7 . 1 1 78 78 GLY CA C 175 46.309 46.309 45.259 1.050 17752 4153 1 7 . 1 1 78 78 GLY H H 175 7.323 7.323 8.542 -1.219 17752 4154 1 7 . 1 1 79 79 GLN N N 176 116.806 116.806 118.547 -1.741 17752 4155 1 7 . 1 1 79 79 GLN HA H 176 4.564 4.564 4.592 -0.028 17752 4156 1 7 . 1 1 79 79 GLN C C 176 174.210 174.210 174.075 0.135 17752 4157 1 7 . 1 1 79 79 GLN CA C 176 54.321 54.321 54.276 0.045 17752 4158 1 7 . 1 1 79 79 GLN CB C 176 30.805 30.805 32.691 -1.886 17752 4159 1 7 . 1 1 79 79 GLN H H 176 7.122 7.122 7.600 -0.478 17752 4160 1 7 . 1 1 80 80 LYS N N 177 123.628 123.628 125.610 -1.982 17752 4161 1 7 . 1 1 80 80 LYS HA H 177 4.989 4.989 4.816 0.173 17752 4162 1 7 . 1 1 80 80 LYS C C 177 175.461 175.461 175.037 0.424 17752 4163 1 7 . 1 1 80 80 LYS CA C 177 55.580 55.580 56.058 -0.478 17752 4164 1 7 . 1 1 80 80 LYS CB C 177 33.369 33.369 33.833 -0.464 17752 4165 1 7 . 1 1 80 80 LYS H H 177 8.679 8.679 8.654 0.025 17752 4166 1 7 . 1 1 81 81 TYR N N 178 126.820 126.820 124.354 2.466 17752 4167 1 7 . 1 1 81 81 TYR HA H 178 5.084 5.084 5.029 0.055 17752 4168 1 7 . 1 1 81 81 TYR C C 178 174.883 174.883 174.593 0.290 17752 4169 1 7 . 1 1 81 81 TYR CA C 178 57.082 57.082 56.755 0.327 17752 4170 1 7 . 1 1 81 81 TYR CB C 178 41.952 41.952 41.948 0.004 17752 4171 1 7 . 1 1 81 81 TYR H H 178 9.407 9.407 9.365 0.042 17752 4172 1 7 . 1 1 82 82 LEU N N 179 119.285 119.285 124.526 -5.241 17752 4173 1 7 . 1 1 82 82 LEU HA H 179 4.993 4.993 4.916 0.077 17752 4174 1 7 . 1 1 82 82 LEU C C 179 176.372 176.372 175.733 0.639 17752 4175 1 7 . 1 1 82 82 LEU CA C 179 54.686 54.686 54.175 0.511 17752 4176 1 7 . 1 1 82 82 LEU CB C 179 45.287 45.287 42.897 2.390 17752 4177 1 7 . 1 1 82 82 LEU H H 179 8.457 8.457 9.086 -0.629 17752 4178 1 7 . 1 1 83 83 VAL N N 180 119.136 119.136 118.940 0.196 17752 4179 1 7 . 1 1 83 83 VAL HA H 180 5.167 5.167 5.110 0.057 17752 4180 1 7 . 1 1 83 83 VAL C C 180 175.007 175.007 174.523 0.484 17752 4181 1 7 . 1 1 83 83 VAL CA C 180 60.829 60.829 59.026 1.803 17752 4182 1 7 . 1 1 83 83 VAL CB C 180 35.132 35.132 34.776 0.356 17752 4183 1 7 . 1 1 83 83 VAL H H 180 8.442 8.442 9.183 -0.741 17752 4184 1 7 . 1 1 84 84 GLN N N 181 121.769 121.769 122.188 -0.419 17752 4185 1 7 . 1 1 84 84 GLN HA H 181 4.365 4.365 5.316 -0.951 17752 4186 1 7 . 1 1 84 84 GLN C C 181 172.935 172.935 173.859 -0.924 17752 4187 1 7 . 1 1 84 84 GLN CA C 181 55.052 55.052 54.294 0.758 17752 4188 1 7 . 1 1 84 84 GLN CB C 181 36.079 36.079 33.365 2.714 17752 4189 1 7 . 1 1 84 84 GLN H H 181 8.986 8.986 8.419 0.567 17752 4190 1 7 . 1 1 85 85 VAL N N 182 116.946 116.946 121.196 -4.250 17752 4191 1 7 . 1 1 85 85 VAL HA H 182 5.444 5.444 5.226 0.218 17752 4192 1 7 . 1 1 85 85 VAL C C 182 172.842 172.842 174.119 -1.277 17752 4193 1 7 . 1 1 85 85 VAL CA C 182 59.501 59.501 59.154 0.347 17752 4194 1 7 . 1 1 85 85 VAL CB C 182 35.973 35.973 35.199 0.774 17752 4195 1 7 . 1 1 85 85 VAL H H 182 8.425 8.425 8.459 -0.034 17752 4196 1 7 . 1 1 86 86 ARG N N 183 122.701 122.701 124.328 -1.627 17752 4197 1 7 . 1 1 86 86 ARG HA H 183 4.586 4.586 4.634 -0.048 17752 4198 1 7 . 1 1 86 86 ARG C C 183 173.613 173.613 173.158 0.455 17752 4199 1 7 . 1 1 86 86 ARG CA C 183 54.760 54.760 54.750 0.010 17752 4200 1 7 . 1 1 86 86 ARG CB C 183 33.484 33.484 32.454 1.030 17752 4201 1 7 . 1 1 86 86 ARG H H 183 8.853 8.853 8.164 0.689 17752 4202 1 7 . 1 1 87 87 CYS N N 184 113.995 113.995 117.780 -3.785 17752 4203 1 7 . 1 1 87 87 CYS HA H 184 6.281 6.281 4.677 1.604 17752 4204 1 7 . 1 1 87 87 CYS C C 184 172.060 172.060 173.809 -1.749 17752 4205 1 7 . 1 1 87 87 CYS CA C 184 54.763 54.763 55.375 -0.612 17752 4206 1 7 . 1 1 87 87 CYS CB C 184 34.453 34.453 31.552 2.901 17752 4207 1 7 . 1 1 87 87 CYS H H 184 8.869 8.869 8.413 0.456 17752 4208 1 7 . 1 1 88 88 LYS N N 185 119.231 119.231 118.333 0.898 17752 4209 1 7 . 1 1 88 88 LYS HA H 185 4.650 4.650 4.688 -0.038 17752 4210 1 7 . 1 1 88 88 LYS C C 185 172.274 172.274 173.942 -1.668 17752 4211 1 7 . 1 1 88 88 LYS CA C 185 53.192 53.192 53.940 -0.748 17752 4212 1 7 . 1 1 88 88 LYS CB C 185 33.530 33.530 32.574 0.956 17752 4213 1 7 . 1 1 88 88 LYS H H 185 8.680 8.680 8.099 0.581 17752 4214 1 7 . 1 1 89 89 PRO HA H 186 4.874 4.874 4.568 0.306 17752 4215 1 7 . 1 1 89 89 PRO C C 186 177.163 177.163 176.986 0.177 17752 4216 1 7 . 1 1 89 89 PRO CA C 186 60.867 60.867 61.644 -0.777 17752 4217 1 7 . 1 1 89 89 PRO CB C 186 31.041 31.041 32.915 -1.874 17752 4218 1 7 . 1 1 90 90 ASP N N 187 121.615 121.615 116.801 4.814 17752 4219 1 7 . 1 1 90 90 ASP HA H 187 4.571 4.571 4.112 0.459 17752 4220 1 7 . 1 1 90 90 ASP C C 187 176.587 176.587 176.226 0.361 17752 4221 1 7 . 1 1 90 90 ASP CA C 187 56.898 56.898 55.286 1.612 17752 4222 1 7 . 1 1 90 90 ASP CB C 187 40.161 40.161 39.721 0.440 17752 4223 1 7 . 1 1 90 90 ASP H H 187 8.377 8.377 8.433 -0.056 17752 4224 1 7 . 1 1 91 91 HIS N N 188 115.767 115.767 118.013 -2.246 17752 4225 1 7 . 1 1 91 91 HIS HA H 188 4.487 4.487 4.371 0.116 17752 4226 1 7 . 1 1 91 91 HIS C C 188 174.877 174.877 174.936 -0.059 17752 4227 1 7 . 1 1 91 91 HIS CA C 188 56.060 56.060 56.788 -0.728 17752 4228 1 7 . 1 1 91 91 HIS CB C 188 29.064 29.064 30.480 -1.417 17752 4229 1 7 . 1 1 91 91 HIS H H 188 8.020 8.020 7.500 0.520 17752 4230 1 7 . 1 1 92 92 GLY N N 189 108.492 108.492 103.501 4.991 17752 4231 1 7 . 1 1 92 92 GLY C C 189 171.977 171.977 171.505 0.472 17752 4232 1 7 . 1 1 92 92 GLY CA C 189 44.356 44.356 45.008 -0.652 17752 4233 1 7 . 1 1 92 92 GLY H H 189 7.648 7.648 7.123 0.525 17752 4234 1 7 . 1 1 93 93 TYR N N 190 120.823 120.823 119.559 1.264 17752 4235 1 7 . 1 1 93 93 TYR HA H 190 4.589 4.589 4.981 -0.392 17752 4236 1 7 . 1 1 93 93 TYR C C 190 174.685 174.685 176.398 -1.713 17752 4237 1 7 . 1 1 93 93 TYR CA C 190 55.924 55.924 56.437 -0.513 17752 4238 1 7 . 1 1 93 93 TYR CB C 190 40.462 40.462 40.936 -0.474 17752 4239 1 7 . 1 1 93 93 TYR H H 190 8.265 8.265 8.460 -0.195 17752 4240 1 7 . 1 1 94 94 TRP N N 191 117.501 117.501 124.734 -7.233 17752 4241 1 7 . 1 1 94 94 TRP HA H 191 4.399 4.399 4.640 -0.241 17752 4242 1 7 . 1 1 94 94 TRP C C 191 178.522 178.522 175.416 3.106 17752 4243 1 7 . 1 1 94 94 TRP CA C 191 57.620 57.620 57.055 0.565 17752 4244 1 7 . 1 1 94 94 TRP CB C 191 30.530 30.530 29.613 0.916 17752 4245 1 7 . 1 1 94 94 TRP H H 191 7.637 7.637 8.702 -1.065 17752 4246 1 7 . 1 1 95 95 SER N N 192 117.327 117.327 116.795 0.532 17752 4247 1 7 . 1 1 95 95 SER HA H 192 4.314 4.314 4.423 -0.109 17752 4248 1 7 . 1 1 95 95 SER C C 192 173.924 173.924 174.190 -0.266 17752 4249 1 7 . 1 1 95 95 SER CA C 192 57.840 57.840 58.343 -0.503 17752 4250 1 7 . 1 1 95 95 SER CB C 192 67.312 67.312 64.405 2.907 17752 4251 1 7 . 1 1 95 95 SER H H 192 9.755 9.755 8.603 1.152 17752 4252 1 7 . 1 1 96 96 ALA N N 193 120.747 120.747 122.740 -1.993 17752 4253 1 7 . 1 1 96 96 ALA HA H 193 4.134 4.134 4.746 -0.612 17752 4254 1 7 . 1 1 96 96 ALA C C 193 178.311 178.311 174.873 3.438 17752 4255 1 7 . 1 1 96 96 ALA CA C 193 52.387 52.387 52.159 0.228 17752 4256 1 7 . 1 1 96 96 ALA CB C 193 18.821 18.821 19.836 -1.015 17752 4257 1 7 . 1 1 96 96 ALA H H 193 8.824 8.824 7.798 1.026 17752 4258 1 7 . 1 1 97 97 TRP N N 194 120.634 120.634 118.995 1.639 17752 4259 1 7 . 1 1 97 97 TRP HA H 194 4.314 4.314 5.065 -0.751 17752 4260 1 7 . 1 1 97 97 TRP C C 194 177.944 177.944 175.772 2.172 17752 4261 1 7 . 1 1 97 97 TRP CA C 194 57.825 57.825 57.358 0.467 17752 4262 1 7 . 1 1 97 97 TRP CB C 194 29.702 29.702 31.698 -1.996 17752 4263 1 7 . 1 1 97 97 TRP H H 194 8.118 8.118 8.193 -0.075 17752 4264 1 7 . 1 1 98 98 SER N N 195 118.649 118.649 113.931 4.718 17752 4265 1 7 . 1 1 98 98 SER HA H 195 4.372 4.372 4.584 -0.212 17752 4266 1 7 . 1 1 98 98 SER C C 195 170.132 170.132 172.421 -2.289 17752 4267 1 7 . 1 1 98 98 SER CA C 195 57.851 57.851 59.038 -1.187 17752 4268 1 7 . 1 1 98 98 SER CB C 195 62.213 62.213 62.852 -0.639 17752 4269 1 7 . 1 1 98 98 SER H H 195 9.327 9.327 8.419 0.908 17752 4270 1 7 . 1 1 99 99 PRO HA H 196 4.585 4.585 4.539 0.046 17752 4271 1 7 . 1 1 99 99 PRO C C 196 178.242 178.242 175.010 3.232 17752 4272 1 7 . 1 1 99 99 PRO CA C 196 63.403 63.403 62.270 1.133 17752 4273 1 7 . 1 1 99 99 PRO CB C 196 31.405 31.405 30.439 0.966 17752 4274 1 7 . 1 1 100 100 ALA N N 197 127.219 127.219 127.385 -0.166 17752 4275 1 7 . 1 1 100 100 ALA HA H 197 4.680 4.680 4.572 0.108 17752 4276 1 7 . 1 1 100 100 ALA C C 197 178.043 178.043 176.886 1.157 17752 4277 1 7 . 1 1 100 100 ALA CA C 197 52.309 52.309 50.976 1.333 17752 4278 1 7 . 1 1 100 100 ALA CB C 197 18.973 18.973 19.459 -0.486 17752 4279 1 7 . 1 1 100 100 ALA H H 197 9.001 9.001 7.954 1.047 17752 4280 1 7 . 1 1 101 101 THR N N 198 118.178 118.178 121.658 -3.480 17752 4281 1 7 . 1 1 101 101 THR HA H 198 4.598 4.598 4.631 -0.033 17752 4282 1 7 . 1 1 101 101 THR C C 198 172.242 172.242 173.354 -1.112 17752 4283 1 7 . 1 1 101 101 THR CA C 198 61.440 61.440 61.901 -0.461 17752 4284 1 7 . 1 1 101 101 THR CB C 198 70.945 70.945 69.906 1.039 17752 4285 1 7 . 1 1 101 101 THR H H 198 8.617 8.617 8.926 -0.309 17752 4286 1 7 . 1 1 102 102 PHE N N 199 123.141 123.141 126.794 -3.653 17752 4287 1 7 . 1 1 102 102 PHE HA H 199 5.867 5.867 4.986 0.881 17752 4288 1 7 . 1 1 102 102 PHE C C 199 175.273 175.273 175.901 -0.628 17752 4289 1 7 . 1 1 102 102 PHE CA C 199 55.877 55.877 58.093 -2.216 17752 4290 1 7 . 1 1 102 102 PHE CB C 199 42.052 42.052 39.805 2.247 17752 4291 1 7 . 1 1 102 102 PHE H H 199 8.419 8.419 9.062 -0.643 17752 4292 1 7 . 1 1 103 103 ILE N N 200 118.251 118.251 125.251 -7.000 17752 4293 1 7 . 1 1 103 103 ILE HA H 200 4.674 4.674 4.614 0.060 17752 4294 1 7 . 1 1 103 103 ILE C C 200 171.732 171.732 174.203 -2.471 17752 4295 1 7 . 1 1 103 103 ILE CA C 200 58.046 58.046 59.082 -1.036 17752 4296 1 7 . 1 1 103 103 ILE CB C 200 41.631 41.631 42.306 -0.675 17752 4297 1 7 . 1 1 103 103 ILE H H 200 8.940 8.940 9.355 -0.415 17752 4298 1 7 . 1 1 104 104 GLN N N 201 127.961 127.961 128.064 -0.103 17752 4299 1 7 . 1 1 104 104 GLN HA H 201 4.592 4.592 4.752 -0.160 17752 4300 1 7 . 1 1 104 104 GLN C C 201 174.363 174.363 175.592 -1.229 17752 4301 1 7 . 1 1 104 104 GLN CA C 201 54.484 54.484 54.391 0.093 17752 4302 1 7 . 1 1 104 104 GLN CB C 201 29.320 29.320 29.263 0.057 17752 4303 1 7 . 1 1 104 104 GLN H H 201 8.641 8.641 8.618 0.023 17752 4304 1 7 . 1 1 105 105 ILE N N 202 129.177 129.177 127.551 1.626 17752 4305 1 7 . 1 1 105 105 ILE HA H 202 4.406 4.406 4.401 0.005 17752 4306 1 7 . 1 1 105 105 ILE C C 202 175.609 175.609 174.671 0.938 17752 4307 1 7 . 1 1 105 105 ILE CA C 202 56.023 56.023 57.299 -1.276 17752 4308 1 7 . 1 1 105 105 ILE CB C 202 35.689 35.689 37.365 -1.677 17752 4309 1 7 . 1 1 105 105 ILE H H 202 8.676 8.676 8.889 -0.213 17752 4310 1 7 . 1 1 106 106 PRO HA H 203 4.578 4.578 4.499 0.079 17752 4311 1 7 . 1 1 106 106 PRO CB C 203 33.030 33.030 32.470 0.560 17752 4312 1 7 . 1 1 107 107 SER N N 204 115.204 115.204 115.716 -0.512 17752 4313 1 7 . 1 1 107 107 SER HA H 204 4.108 4.108 4.227 -0.119 17752 4314 1 7 . 1 1 107 107 SER C C 204 173.757 173.757 174.124 -0.367 17752 4315 1 7 . 1 1 107 107 SER CA C 204 60.355 60.355 60.175 0.180 17752 4316 1 7 . 1 1 107 107 SER CB C 204 63.094 63.094 63.378 -0.284 17752 4317 1 7 . 1 1 107 107 SER H H 204 7.914 7.914 8.773 -0.859 17752 4318 1 7 . 1 1 108 108 ASP N N 205 118.737 118.737 117.772 0.965 17752 4319 1 7 . 1 1 108 108 ASP HA H 205 4.659 4.659 4.587 0.072 17752 4320 1 7 . 1 1 108 108 ASP C C 205 175.704 175.704 176.185 -0.481 17752 4321 1 7 . 1 1 108 108 ASP CA C 205 53.229 53.229 53.926 -0.697 17752 4322 1 7 . 1 1 108 108 ASP CB C 205 40.152 40.152 40.062 0.090 17752 4323 1 7 . 1 1 108 108 ASP H H 205 8.244 8.244 7.918 0.326 17752 4324 1 7 . 1 1 109 109 PHE N N 206 120.285 120.285 121.917 -1.632 17752 4325 1 7 . 1 1 109 109 PHE HA H 206 4.411 4.411 4.131 0.280 17752 4326 1 7 . 1 1 109 109 PHE C C 206 174.781 174.781 174.935 -0.154 17752 4327 1 7 . 1 1 109 109 PHE CA C 206 58.706 58.706 61.133 -2.427 17752 4328 1 7 . 1 1 109 109 PHE CB C 206 40.075 40.075 39.594 0.481 17752 4329 1 7 . 1 1 109 109 PHE H H 206 7.595 7.595 7.600 -0.005 17752 4330 1 7 . 1 1 110 110 THR N N 207 115.253 115.253 111.960 3.293 17752 4331 1 7 . 1 1 110 110 THR HA H 207 4.294 4.294 4.187 0.107 17752 4332 1 7 . 1 1 110 110 THR C C 207 173.714 173.714 173.940 -0.226 17752 4333 1 7 . 1 1 110 110 THR CA C 207 61.742 61.742 63.414 -1.672 17752 4334 1 7 . 1 1 110 110 THR CB C 207 70.070 70.070 69.438 0.632 17752 4335 1 7 . 1 1 110 110 THR H H 207 7.812 7.812 8.149 -0.337 17752 4336 1 7 . 1 1 111 111 MET N N 208 122.575 122.575 121.873 0.702 17752 4337 1 7 . 1 1 111 111 MET HA H 208 4.555 4.555 4.277 0.278 17752 4338 1 7 . 1 1 111 111 MET C C 208 175.656 175.656 176.241 -0.585 17752 4339 1 7 . 1 1 111 111 MET CA C 208 55.451 55.451 57.951 -2.500 17752 4340 1 7 . 1 1 111 111 MET CB C 208 33.175 33.175 33.115 0.060 17752 4341 1 7 . 1 1 111 111 MET H H 208 8.391 8.391 8.521 -0.130 17752 4342 1 7 . 1 1 112 112 ASN N N 209 120.351 120.351 113.286 7.065 17752 4343 1 7 . 1 1 112 112 ASN HA H 209 4.785 4.785 4.688 0.097 17752 4344 1 7 . 1 1 112 112 ASN C C 209 173.846 173.846 172.953 0.893 17752 4345 1 7 . 1 1 112 112 ASN CA C 209 53.341 53.341 52.378 0.963 17752 4346 1 7 . 1 1 112 112 ASN CB C 209 39.600 39.600 39.774 -0.174 17752 4347 1 7 . 1 1 112 112 ASN H H 209 8.442 8.442 7.653 0.789 17752 4348 1 8 . 1 1 2 2 TYR HA H 99 4.624 4.624 4.923 -0.299 17752 4349 1 8 . 1 1 2 2 TYR C C 99 174.994 174.994 174.483 0.511 17752 4350 1 8 . 1 1 2 2 TYR CA C 99 57.524 57.524 57.962 -0.438 17752 4351 1 8 . 1 1 2 2 TYR CB C 99 38.543 38.543 40.582 -2.039 17752 4352 1 8 . 1 1 3 3 ILE N N 100 124.242 124.242 125.054 -0.812 17752 4353 1 8 . 1 1 3 3 ILE HA H 100 4.058 4.058 3.998 0.060 17752 4354 1 8 . 1 1 3 3 ILE C C 100 174.994 174.994 174.218 0.776 17752 4355 1 8 . 1 1 3 3 ILE CA C 100 60.621 60.621 60.444 0.177 17752 4356 1 8 . 1 1 3 3 ILE CB C 100 38.685 38.685 37.716 0.969 17752 4357 1 8 . 1 1 3 3 ILE H H 100 8.034 8.034 7.881 0.153 17752 4358 1 8 . 1 1 4 4 VAL N N 101 123.770 123.770 127.699 -3.929 17752 4359 1 8 . 1 1 4 4 VAL HA H 101 4.024 4.024 3.899 0.125 17752 4360 1 8 . 1 1 4 4 VAL C C 101 174.457 174.457 175.602 -1.145 17752 4361 1 8 . 1 1 4 4 VAL CA C 101 62.142 62.142 61.899 0.243 17752 4362 1 8 . 1 1 4 4 VAL CB C 101 32.961 32.961 32.619 0.342 17752 4363 1 8 . 1 1 4 4 VAL H H 101 7.858 7.858 8.102 -0.244 17752 4364 1 8 . 1 1 5 5 GLN N N 102 124.937 124.937 126.095 -1.158 17752 4365 1 8 . 1 1 5 5 GLN HA H 102 4.859 4.859 4.678 0.181 17752 4366 1 8 . 1 1 5 5 GLN C C 102 173.189 173.189 174.787 -1.598 17752 4367 1 8 . 1 1 5 5 GLN CA C 102 52.458 52.458 52.650 -0.192 17752 4368 1 8 . 1 1 5 5 GLN CB C 102 30.185 30.185 28.457 1.728 17752 4369 1 8 . 1 1 5 5 GLN H H 102 8.269 8.269 8.483 -0.214 17752 4370 1 8 . 1 1 6 6 PRO HA H 103 4.533 4.533 4.387 0.146 17752 4371 1 8 . 1 1 6 6 PRO C C 103 175.646 175.646 175.834 -0.188 17752 4372 1 8 . 1 1 6 6 PRO CA C 103 62.290 62.290 64.064 -1.774 17752 4373 1 8 . 1 1 6 6 PRO CB C 103 31.983 31.983 32.291 -0.308 17752 4374 1 8 . 1 1 7 7 ASP N N 104 120.340 120.340 117.209 3.131 17752 4375 1 8 . 1 1 7 7 ASP HA H 104 4.851 4.851 4.683 0.168 17752 4376 1 8 . 1 1 7 7 ASP C C 104 171.565 171.565 173.305 -1.740 17752 4377 1 8 . 1 1 7 7 ASP CA C 104 53.742 53.742 51.765 1.977 17752 4378 1 8 . 1 1 7 7 ASP CB C 104 40.258 40.258 41.287 -1.029 17752 4379 1 8 . 1 1 7 7 ASP H H 104 7.897 7.897 8.033 -0.136 17752 4380 1 8 . 1 1 9 9 PRO HA H 106 4.332 4.332 4.408 -0.076 17752 4381 1 8 . 1 1 9 9 PRO C C 106 174.091 174.091 176.650 -2.559 17752 4382 1 8 . 1 1 9 9 PRO CA C 106 62.569 62.569 63.485 -0.916 17752 4383 1 8 . 1 1 9 9 PRO CB C 106 32.391 32.391 32.041 0.350 17752 4384 1 8 . 1 1 10 10 LEU N N 107 118.910 118.910 120.519 -1.609 17752 4385 1 8 . 1 1 10 10 LEU HA H 107 4.642 4.642 4.779 -0.137 17752 4386 1 8 . 1 1 10 10 LEU C C 107 175.964 175.964 176.479 -0.515 17752 4387 1 8 . 1 1 10 10 LEU CA C 107 53.919 53.919 53.016 0.903 17752 4388 1 8 . 1 1 10 10 LEU CB C 107 46.315 46.315 43.188 3.127 17752 4389 1 8 . 1 1 10 10 LEU H H 107 7.793 7.793 8.245 -0.452 17752 4390 1 8 . 1 1 11 11 GLU N N 108 113.307 113.307 114.974 -1.667 17752 4391 1 8 . 1 1 11 11 GLU HA H 108 3.805 3.805 3.963 -0.158 17752 4392 1 8 . 1 1 11 11 GLU C C 108 175.118 175.118 175.180 -0.062 17752 4393 1 8 . 1 1 11 11 GLU CA C 108 56.418 56.418 57.008 -0.590 17752 4394 1 8 . 1 1 11 11 GLU CB C 108 27.789 27.789 27.975 -0.186 17752 4395 1 8 . 1 1 11 11 GLU H H 108 8.539 8.539 8.720 -0.181 17752 4396 1 8 . 1 1 12 12 LEU N N 109 120.420 120.420 121.018 -0.598 17752 4397 1 8 . 1 1 12 12 LEU HA H 109 4.903 4.903 4.522 0.381 17752 4398 1 8 . 1 1 12 12 LEU C C 109 176.238 176.238 176.135 0.103 17752 4399 1 8 . 1 1 12 12 LEU CA C 109 56.228 56.228 55.176 1.052 17752 4400 1 8 . 1 1 12 12 LEU CB C 109 42.021 42.021 41.945 0.076 17752 4401 1 8 . 1 1 12 12 LEU H H 109 8.053 8.053 7.827 0.226 17752 4402 1 8 . 1 1 13 13 ALA N N 110 132.286 132.286 131.648 0.638 17752 4403 1 8 . 1 1 13 13 ALA HA H 110 4.833 4.833 4.818 0.015 17752 4404 1 8 . 1 1 13 13 ALA C C 110 175.560 175.560 175.514 0.046 17752 4405 1 8 . 1 1 13 13 ALA CA C 110 51.152 51.152 50.869 0.283 17752 4406 1 8 . 1 1 13 13 ALA CB C 110 21.788 21.788 20.642 1.146 17752 4407 1 8 . 1 1 13 13 ALA H H 110 9.653 9.653 9.079 0.574 17752 4408 1 8 . 1 1 14 14 VAL N N 111 116.305 116.305 124.232 -7.927 17752 4409 1 8 . 1 1 14 14 VAL HA H 111 5.293 5.293 4.710 0.583 17752 4410 1 8 . 1 1 14 14 VAL C C 111 174.459 174.459 175.254 -0.795 17752 4411 1 8 . 1 1 14 14 VAL CA C 111 59.146 59.146 61.269 -2.123 17752 4412 1 8 . 1 1 14 14 VAL CB C 111 35.256 35.256 33.161 2.095 17752 4413 1 8 . 1 1 14 14 VAL H H 111 8.477 8.477 8.622 -0.145 17752 4414 1 8 . 1 1 15 15 GLU N N 112 122.235 122.235 129.588 -7.353 17752 4415 1 8 . 1 1 15 15 GLU HA H 112 4.659 4.659 4.748 -0.089 17752 4416 1 8 . 1 1 15 15 GLU C C 112 174.581 174.581 174.277 0.304 17752 4417 1 8 . 1 1 15 15 GLU CA C 112 55.224 55.224 54.688 0.536 17752 4418 1 8 . 1 1 15 15 GLU CB C 112 34.744 34.744 33.453 1.292 17752 4419 1 8 . 1 1 15 15 GLU H H 112 8.947 8.947 8.713 0.234 17752 4420 1 8 . 1 1 16 16 VAL N N 113 124.568 124.568 126.218 -1.650 17752 4421 1 8 . 1 1 16 16 VAL HA H 113 4.441 4.441 4.241 0.200 17752 4422 1 8 . 1 1 16 16 VAL C C 113 175.480 175.480 175.395 0.085 17752 4423 1 8 . 1 1 16 16 VAL CA C 113 62.281 62.281 62.531 -0.250 17752 4424 1 8 . 1 1 16 16 VAL CB C 113 31.565 31.565 32.938 -1.373 17752 4425 1 8 . 1 1 16 16 VAL H H 113 9.044 9.044 8.713 0.331 17752 4426 1 8 . 1 1 17 17 LYS N N 114 128.676 128.676 129.658 -0.982 17752 4427 1 8 . 1 1 17 17 LYS HA H 114 4.403 4.403 4.462 -0.059 17752 4428 1 8 . 1 1 17 17 LYS C C 114 174.547 174.547 174.422 0.125 17752 4429 1 8 . 1 1 17 17 LYS CA C 114 53.518 53.518 54.203 -0.684 17752 4430 1 8 . 1 1 17 17 LYS CB C 114 32.995 32.995 33.431 -0.436 17752 4431 1 8 . 1 1 17 17 LYS H H 114 8.788 8.788 8.922 -0.134 17752 4432 1 8 . 1 1 18 18 GLN N N 115 119.854 119.854 124.746 -4.892 17752 4433 1 8 . 1 1 18 18 GLN HA H 115 4.691 4.691 4.528 0.163 17752 4434 1 8 . 1 1 18 18 GLN C C 115 172.587 172.587 173.894 -1.307 17752 4435 1 8 . 1 1 18 18 GLN CA C 115 52.787 52.787 53.238 -0.451 17752 4436 1 8 . 1 1 18 18 GLN CB C 115 30.109 30.109 28.864 1.245 17752 4437 1 8 . 1 1 18 18 GLN H H 115 8.537 8.537 8.560 -0.023 17752 4438 1 8 . 1 1 19 19 PRO HA H 116 4.526 4.526 4.413 0.113 17752 4439 1 8 . 1 1 19 19 PRO C C 116 176.958 176.958 176.026 0.932 17752 4440 1 8 . 1 1 19 19 PRO CA C 116 62.106 62.106 62.245 -0.139 17752 4441 1 8 . 1 1 19 19 PRO CB C 116 32.375 32.375 32.528 -0.152 17752 4442 1 8 . 1 1 20 20 GLU N N 117 119.774 119.774 120.077 -0.303 17752 4443 1 8 . 1 1 20 20 GLU HA H 117 4.079 4.079 3.997 0.082 17752 4444 1 8 . 1 1 20 20 GLU C C 117 176.961 176.961 177.313 -0.352 17752 4445 1 8 . 1 1 20 20 GLU CA C 117 58.256 58.256 58.592 -0.335 17752 4446 1 8 . 1 1 20 20 GLU CB C 117 29.653 29.653 29.894 -0.241 17752 4447 1 8 . 1 1 20 20 GLU H H 117 8.806 8.806 8.598 0.208 17752 4448 1 8 . 1 1 21 21 ASP N N 118 116.513 116.513 118.773 -2.260 17752 4449 1 8 . 1 1 21 21 ASP HA H 118 4.482 4.482 4.591 -0.109 17752 4450 1 8 . 1 1 21 21 ASP C C 118 175.271 175.271 176.550 -1.279 17752 4451 1 8 . 1 1 21 21 ASP CA C 118 54.231 54.231 54.810 -0.579 17752 4452 1 8 . 1 1 21 21 ASP CB C 118 40.460 40.460 41.172 -0.712 17752 4453 1 8 . 1 1 21 21 ASP H H 118 8.449 8.449 8.179 0.270 17752 4454 1 8 . 1 1 22 22 ARG N N 119 115.342 115.342 120.930 -5.588 17752 4455 1 8 . 1 1 22 22 ARG HA H 119 4.491 4.491 4.376 0.115 17752 4456 1 8 . 1 1 22 22 ARG C C 119 174.745 174.745 175.690 -0.945 17752 4457 1 8 . 1 1 22 22 ARG CA C 119 54.806 54.806 55.666 -0.860 17752 4458 1 8 . 1 1 22 22 ARG CB C 119 32.004 32.004 31.175 0.829 17752 4459 1 8 . 1 1 22 22 ARG H H 119 7.448 7.448 7.861 -0.413 17752 4460 1 8 . 1 1 23 23 LYS N N 120 119.981 119.981 122.143 -2.162 17752 4461 1 8 . 1 1 23 23 LYS HA H 120 4.489 4.489 4.365 0.124 17752 4462 1 8 . 1 1 23 23 LYS C C 120 173.641 173.641 175.277 -1.636 17752 4463 1 8 . 1 1 23 23 LYS CA C 120 54.621 54.621 55.188 -0.567 17752 4464 1 8 . 1 1 23 23 LYS CB C 120 31.611 31.611 32.175 -0.564 17752 4465 1 8 . 1 1 23 23 LYS H H 120 7.982 7.982 8.261 -0.279 17752 4466 1 8 . 1 1 24 24 PRO HA H 121 4.813 4.813 4.541 0.272 17752 4467 1 8 . 1 1 24 24 PRO C C 121 174.901 174.901 175.408 -0.507 17752 4468 1 8 . 1 1 24 24 PRO CA C 121 62.720 62.720 62.584 0.136 17752 4469 1 8 . 1 1 24 24 PRO CB C 121 33.066 33.066 31.696 1.370 17752 4470 1 8 . 1 1 25 25 TYR N N 122 111.573 111.573 118.525 -6.952 17752 4471 1 8 . 1 1 25 25 TYR HA H 122 5.134 5.134 5.340 -0.206 17752 4472 1 8 . 1 1 25 25 TYR C C 122 172.672 172.672 173.205 -0.533 17752 4473 1 8 . 1 1 25 25 TYR CA C 122 55.650 55.650 55.807 -0.157 17752 4474 1 8 . 1 1 25 25 TYR CB C 122 40.394 40.394 41.039 -0.645 17752 4475 1 8 . 1 1 25 25 TYR H H 122 8.287 8.287 8.609 -0.322 17752 4476 1 8 . 1 1 26 26 LEU N N 123 120.288 120.288 121.530 -1.242 17752 4477 1 8 . 1 1 26 26 LEU HA H 123 4.907 4.907 4.681 0.226 17752 4478 1 8 . 1 1 26 26 LEU C C 123 174.277 174.277 175.455 -1.178 17752 4479 1 8 . 1 1 26 26 LEU CA C 123 53.789 53.789 54.401 -0.612 17752 4480 1 8 . 1 1 26 26 LEU CB C 123 44.717 44.717 44.418 0.299 17752 4481 1 8 . 1 1 26 26 LEU H H 123 9.073 9.073 8.751 0.322 17752 4482 1 8 . 1 1 27 27 TRP N N 124 130.187 130.187 131.832 -1.645 17752 4483 1 8 . 1 1 27 27 TRP HA H 124 5.555 5.555 5.442 0.113 17752 4484 1 8 . 1 1 27 27 TRP C C 124 173.810 173.810 174.670 -0.860 17752 4485 1 8 . 1 1 27 27 TRP CA C 124 55.161 55.161 54.802 0.359 17752 4486 1 8 . 1 1 27 27 TRP CB C 124 31.383 31.383 30.363 1.020 17752 4487 1 8 . 1 1 27 27 TRP H H 124 9.628 9.628 9.376 0.252 17752 4488 1 8 . 1 1 28 28 ILE N N 125 128.941 128.941 129.785 -0.844 17752 4489 1 8 . 1 1 28 28 ILE HA H 125 4.814 4.814 4.561 0.253 17752 4490 1 8 . 1 1 28 28 ILE C C 125 173.004 173.004 174.151 -1.147 17752 4491 1 8 . 1 1 28 28 ILE CA C 125 60.152 60.152 60.442 -0.290 17752 4492 1 8 . 1 1 28 28 ILE CB C 125 41.018 41.018 38.897 2.121 17752 4493 1 8 . 1 1 28 28 ILE H H 125 8.867 8.867 9.265 -0.398 17752 4494 1 8 . 1 1 29 29 LYS N N 126 124.705 124.705 127.420 -2.715 17752 4495 1 8 . 1 1 29 29 LYS HA H 126 4.553 4.553 4.614 -0.061 17752 4496 1 8 . 1 1 29 29 LYS C C 126 173.764 173.764 174.334 -0.570 17752 4497 1 8 . 1 1 29 29 LYS CA C 126 55.137 55.137 54.244 0.893 17752 4498 1 8 . 1 1 29 29 LYS CB C 126 35.952 35.952 35.871 0.081 17752 4499 1 8 . 1 1 29 29 LYS H H 126 8.789 8.789 8.693 0.096 17752 4500 1 8 . 1 1 30 30 TRP N N 127 118.127 118.127 124.056 -5.929 17752 4501 1 8 . 1 1 30 30 TRP HA H 127 5.010 5.010 5.384 -0.374 17752 4502 1 8 . 1 1 30 30 TRP C C 127 173.354 173.354 173.894 -0.540 17752 4503 1 8 . 1 1 30 30 TRP CA C 127 57.079 57.079 54.521 2.558 17752 4504 1 8 . 1 1 30 30 TRP CB C 127 29.480 29.480 31.473 -1.993 17752 4505 1 8 . 1 1 30 30 TRP H H 127 7.408 7.408 7.279 0.129 17752 4506 1 8 . 1 1 31 31 SER N N 128 113.791 113.791 116.164 -2.373 17752 4507 1 8 . 1 1 31 31 SER HA H 128 5.137 5.137 4.896 0.241 17752 4508 1 8 . 1 1 31 31 SER C C 128 171.258 171.258 172.782 -1.524 17752 4509 1 8 . 1 1 31 31 SER CA C 128 55.299 55.299 54.042 1.257 17752 4510 1 8 . 1 1 31 31 SER CB C 128 63.849 63.849 64.707 -0.858 17752 4511 1 8 . 1 1 31 31 SER H H 128 8.972 8.972 8.947 0.025 17752 4512 1 8 . 1 1 32 32 PRO HA H 129 4.953 4.953 4.862 0.091 17752 4513 1 8 . 1 1 33 33 PRO HA H 130 4.515 4.515 4.511 0.004 17752 4514 1 8 . 1 1 33 33 PRO C C 130 176.322 176.322 177.680 -1.358 17752 4515 1 8 . 1 1 33 33 PRO CA C 130 62.668 62.668 63.488 -0.820 17752 4516 1 8 . 1 1 33 33 PRO CB C 130 32.077 32.077 31.756 0.321 17752 4517 1 8 . 1 1 34 34 THR N N 131 113.844 113.844 116.111 -2.267 17752 4518 1 8 . 1 1 34 34 THR HA H 131 4.147 4.147 4.181 -0.034 17752 4519 1 8 . 1 1 34 34 THR C C 131 174.576 174.576 175.458 -0.882 17752 4520 1 8 . 1 1 34 34 THR CA C 131 62.833 62.833 63.852 -1.019 17752 4521 1 8 . 1 1 34 34 THR CB C 131 69.346 69.346 68.976 0.370 17752 4522 1 8 . 1 1 34 34 THR H H 131 8.128 8.128 8.327 -0.199 17752 4523 1 8 . 1 1 35 35 LEU N N 132 125.831 125.831 123.207 2.624 17752 4524 1 8 . 1 1 35 35 LEU HA H 132 4.432 4.432 4.613 -0.181 17752 4525 1 8 . 1 1 35 35 LEU C C 132 176.794 176.794 175.990 0.804 17752 4526 1 8 . 1 1 35 35 LEU CA C 132 54.799 54.799 54.395 0.404 17752 4527 1 8 . 1 1 35 35 LEU CB C 132 42.344 42.344 41.634 0.710 17752 4528 1 8 . 1 1 35 35 LEU H H 132 8.336 8.336 7.923 0.413 17752 4529 1 8 . 1 1 36 36 ILE N N 133 121.733 121.733 122.028 -0.295 17752 4530 1 8 . 1 1 36 36 ILE HA H 133 4.070 4.070 4.371 -0.301 17752 4531 1 8 . 1 1 36 36 ILE C C 133 175.690 175.690 175.237 0.453 17752 4532 1 8 . 1 1 36 36 ILE CA C 133 61.695 61.695 60.969 0.726 17752 4533 1 8 . 1 1 36 36 ILE CB C 133 38.553 38.553 40.043 -1.490 17752 4534 1 8 . 1 1 36 36 ILE H H 133 8.054 8.054 8.106 -0.052 17752 4535 1 8 . 1 1 37 37 ASP N N 134 121.852 121.852 120.230 1.622 17752 4536 1 8 . 1 1 37 37 ASP HA H 134 4.573 4.573 4.381 0.192 17752 4537 1 8 . 1 1 37 37 ASP C C 134 176.011 176.011 175.023 0.988 17752 4538 1 8 . 1 1 37 37 ASP CA C 134 54.346 54.346 54.376 -0.029 17752 4539 1 8 . 1 1 37 37 ASP CB C 134 41.096 41.096 40.949 0.147 17752 4540 1 8 . 1 1 37 37 ASP H H 134 8.254 8.254 8.287 -0.033 17752 4541 1 8 . 1 1 38 38 LEU N N 135 122.044 122.044 121.394 0.650 17752 4542 1 8 . 1 1 38 38 LEU HA H 135 4.225 4.225 4.179 0.046 17752 4543 1 8 . 1 1 38 38 LEU C C 135 177.779 177.779 177.534 0.245 17752 4544 1 8 . 1 1 38 38 LEU CA C 135 55.748 55.748 55.189 0.559 17752 4545 1 8 . 1 1 38 38 LEU CB C 135 42.220 42.220 42.157 0.063 17752 4546 1 8 . 1 1 38 38 LEU H H 135 8.052 8.052 8.058 -0.006 17752 4547 1 8 . 1 1 39 39 LYS N N 136 119.589 119.589 122.062 -2.473 17752 4548 1 8 . 1 1 39 39 LYS HA H 136 4.225 4.225 4.250 -0.025 17752 4549 1 8 . 1 1 39 39 LYS C C 136 177.024 177.024 176.800 0.224 17752 4550 1 8 . 1 1 39 39 LYS CA C 136 57.161 57.161 56.819 0.342 17752 4551 1 8 . 1 1 39 39 LYS CB C 136 32.220 32.220 32.427 -0.207 17752 4552 1 8 . 1 1 39 39 LYS H H 136 8.295 8.295 8.560 -0.265 17752 4553 1 8 . 1 1 40 40 THR N N 137 112.003 112.003 112.580 -0.577 17752 4554 1 8 . 1 1 40 40 THR HA H 137 4.189 4.189 4.394 -0.205 17752 4555 1 8 . 1 1 40 40 THR C C 137 174.914 174.914 175.476 -0.562 17752 4556 1 8 . 1 1 40 40 THR CA C 137 62.152 62.152 61.375 0.777 17752 4557 1 8 . 1 1 40 40 THR CB C 137 69.513 69.513 69.443 0.070 17752 4558 1 8 . 1 1 40 40 THR H H 137 7.787 7.787 7.566 0.221 17752 4559 1 8 . 1 1 41 41 GLY N N 138 109.975 109.975 112.378 -2.403 17752 4560 1 8 . 1 1 41 41 GLY C C 138 173.470 173.470 175.486 -2.016 17752 4561 1 8 . 1 1 41 41 GLY CA C 138 45.370 45.370 45.556 -0.186 17752 4562 1 8 . 1 1 41 41 GLY H H 138 8.017 8.017 8.926 -0.909 17752 4563 1 8 . 1 1 42 42 TRP N N 139 119.581 119.581 121.617 -2.036 17752 4564 1 8 . 1 1 42 42 TRP HA H 139 4.634 4.634 4.852 -0.218 17752 4565 1 8 . 1 1 42 42 TRP C C 139 175.349 175.349 175.318 0.031 17752 4566 1 8 . 1 1 42 42 TRP CA C 139 56.762 56.762 56.622 0.140 17752 4567 1 8 . 1 1 42 42 TRP CB C 139 29.199 29.199 27.267 1.932 17752 4568 1 8 . 1 1 42 42 TRP H H 139 7.787 7.787 8.472 -0.685 17752 4569 1 8 . 1 1 43 43 PHE N N 140 119.509 119.509 120.446 -0.937 17752 4570 1 8 . 1 1 43 43 PHE HA H 140 4.675 4.675 4.705 -0.030 17752 4571 1 8 . 1 1 43 43 PHE C C 140 174.658 174.658 174.726 -0.068 17752 4572 1 8 . 1 1 43 43 PHE CA C 140 57.106 57.106 58.557 -1.451 17752 4573 1 8 . 1 1 43 43 PHE CB C 140 40.150 40.150 40.483 -0.334 17752 4574 1 8 . 1 1 43 43 PHE H H 140 7.871 7.871 7.753 0.118 17752 4575 1 8 . 1 1 44 44 THR N N 141 116.290 116.290 116.073 0.217 17752 4576 1 8 . 1 1 44 44 THR HA H 141 4.323 4.323 3.905 0.418 17752 4577 1 8 . 1 1 44 44 THR C C 141 173.009 173.009 172.880 0.129 17752 4578 1 8 . 1 1 44 44 THR CA C 141 61.830 61.830 62.930 -1.100 17752 4579 1 8 . 1 1 44 44 THR CB C 141 70.489 70.489 68.892 1.597 17752 4580 1 8 . 1 1 44 44 THR H H 141 8.380 8.380 8.429 -0.049 17752 4581 1 8 . 1 1 45 45 LEU N N 142 124.270 124.270 125.959 -1.689 17752 4582 1 8 . 1 1 45 45 LEU HA H 142 4.519 4.519 4.021 0.498 17752 4583 1 8 . 1 1 45 45 LEU C C 142 174.651 174.651 175.623 -0.972 17752 4584 1 8 . 1 1 45 45 LEU CA C 142 53.847 53.847 54.461 -0.614 17752 4585 1 8 . 1 1 45 45 LEU CB C 142 44.418 44.418 42.376 2.042 17752 4586 1 8 . 1 1 45 45 LEU H H 142 7.972 7.972 8.300 -0.328 17752 4587 1 8 . 1 1 46 46 LEU N N 143 120.086 120.086 126.588 -6.502 17752 4588 1 8 . 1 1 46 46 LEU HA H 143 4.666 4.666 4.729 -0.063 17752 4589 1 8 . 1 1 46 46 LEU C C 143 176.553 176.553 175.712 0.841 17752 4590 1 8 . 1 1 46 46 LEU CA C 143 52.236 52.236 53.337 -1.101 17752 4591 1 8 . 1 1 46 46 LEU CB C 143 44.725 44.725 42.895 1.830 17752 4592 1 8 . 1 1 46 46 LEU H H 143 8.330 8.330 7.814 0.516 17752 4593 1 8 . 1 1 47 47 TYR N N 144 115.644 115.644 120.781 -5.137 17752 4594 1 8 . 1 1 47 47 TYR HA H 144 5.650 5.650 4.589 1.061 17752 4595 1 8 . 1 1 47 47 TYR C C 144 175.013 175.013 174.880 0.133 17752 4596 1 8 . 1 1 47 47 TYR CA C 144 57.301 57.301 56.358 0.943 17752 4597 1 8 . 1 1 47 47 TYR CB C 144 43.200 43.200 41.160 2.040 17752 4598 1 8 . 1 1 47 47 TYR H H 144 8.674 8.674 8.802 -0.128 17752 4599 1 8 . 1 1 48 48 GLU N N 145 120.669 120.669 119.655 1.014 17752 4600 1 8 . 1 1 48 48 GLU HA H 145 4.835 4.835 4.479 0.356 17752 4601 1 8 . 1 1 48 48 GLU C C 145 173.623 173.623 174.314 -0.691 17752 4602 1 8 . 1 1 48 48 GLU CA C 145 54.810 54.810 55.123 -0.313 17752 4603 1 8 . 1 1 48 48 GLU CB C 145 35.923 35.923 34.057 1.866 17752 4604 1 8 . 1 1 48 48 GLU H H 145 8.186 8.186 8.238 -0.052 17752 4605 1 8 . 1 1 49 49 ILE N N 146 118.773 118.773 125.106 -6.333 17752 4606 1 8 . 1 1 49 49 ILE HA H 146 5.069 5.069 5.013 0.056 17752 4607 1 8 . 1 1 49 49 ILE C C 146 174.840 174.840 174.020 0.820 17752 4608 1 8 . 1 1 49 49 ILE CA C 146 58.375 58.375 59.903 -1.528 17752 4609 1 8 . 1 1 49 49 ILE CB C 146 42.256 42.256 41.032 1.224 17752 4610 1 8 . 1 1 49 49 ILE H H 146 8.707 8.707 8.903 -0.196 17752 4611 1 8 . 1 1 50 50 ARG N N 147 120.594 120.594 127.555 -6.961 17752 4612 1 8 . 1 1 50 50 ARG HA H 147 5.882 5.882 5.237 0.645 17752 4613 1 8 . 1 1 50 50 ARG C C 147 172.997 172.997 174.371 -1.374 17752 4614 1 8 . 1 1 50 50 ARG CA C 147 53.454 53.454 54.241 -0.787 17752 4615 1 8 . 1 1 50 50 ARG CB C 147 34.273 34.273 31.260 3.013 17752 4616 1 8 . 1 1 50 50 ARG H H 147 8.922 8.922 8.647 0.275 17752 4617 1 8 . 1 1 51 51 LEU N N 148 119.958 119.958 122.140 -2.182 17752 4618 1 8 . 1 1 51 51 LEU HA H 148 6.200 6.200 5.996 0.204 17752 4619 1 8 . 1 1 51 51 LEU C C 148 175.544 175.544 174.924 0.620 17752 4620 1 8 . 1 1 51 51 LEU CA C 148 54.601 54.601 53.279 1.322 17752 4621 1 8 . 1 1 51 51 LEU CB C 148 46.908 46.908 46.432 0.476 17752 4622 1 8 . 1 1 51 51 LEU H H 148 9.242 9.242 9.140 0.102 17752 4623 1 8 . 1 1 52 52 LYS N N 149 116.000 116.000 114.329 1.671 17752 4624 1 8 . 1 1 52 52 LYS HA H 149 4.945 4.945 4.711 0.234 17752 4625 1 8 . 1 1 52 52 LYS C C 149 172.459 172.459 173.232 -0.773 17752 4626 1 8 . 1 1 52 52 LYS CA C 149 54.828 54.828 54.565 0.263 17752 4627 1 8 . 1 1 52 52 LYS CB C 149 32.809 32.809 34.084 -1.275 17752 4628 1 8 . 1 1 52 52 LYS H H 149 8.399 8.399 8.059 0.340 17752 4629 1 8 . 1 1 53 53 PRO HA H 150 4.103 4.103 3.818 0.285 17752 4630 1 8 . 1 1 53 53 PRO C C 150 178.630 178.630 178.161 0.469 17752 4631 1 8 . 1 1 53 53 PRO CA C 150 61.651 61.651 61.628 0.023 17752 4632 1 8 . 1 1 53 53 PRO CB C 150 31.521 31.521 32.110 -0.589 17752 4633 1 8 . 1 1 54 54 GLU N N 151 125.100 125.100 120.053 5.047 17752 4634 1 8 . 1 1 54 54 GLU HA H 151 3.580 3.580 3.775 -0.195 17752 4635 1 8 . 1 1 54 54 GLU C C 151 176.912 176.912 176.866 0.046 17752 4636 1 8 . 1 1 54 54 GLU CA C 151 60.163 60.163 58.725 1.438 17752 4637 1 8 . 1 1 54 54 GLU CB C 151 30.024 30.024 28.895 1.129 17752 4638 1 8 . 1 1 54 54 GLU H H 151 8.865 8.865 8.227 0.638 17752 4639 1 8 . 1 1 55 55 LYS N N 152 113.857 113.857 117.314 -3.457 17752 4640 1 8 . 1 1 55 55 LYS HA H 152 4.150 4.150 4.261 -0.111 17752 4641 1 8 . 1 1 55 55 LYS C C 152 176.530 176.530 175.214 1.316 17752 4642 1 8 . 1 1 55 55 LYS CA C 152 56.088 56.088 55.536 0.552 17752 4643 1 8 . 1 1 55 55 LYS CB C 152 31.681 31.681 31.996 -0.315 17752 4644 1 8 . 1 1 55 55 LYS H H 152 8.356 8.356 7.800 0.556 17752 4645 1 8 . 1 1 56 56 ALA N N 153 121.720 121.720 121.980 -0.260 17752 4646 1 8 . 1 1 56 56 ALA HA H 153 4.252 4.252 4.487 -0.235 17752 4647 1 8 . 1 1 56 56 ALA C C 153 177.098 177.098 176.782 0.316 17752 4648 1 8 . 1 1 56 56 ALA CA C 153 51.651 51.651 51.066 0.585 17752 4649 1 8 . 1 1 56 56 ALA CB C 153 20.289 20.289 20.065 0.224 17752 4650 1 8 . 1 1 56 56 ALA H H 153 7.359 7.359 7.295 0.064 17752 4651 1 8 . 1 1 57 57 ALA HA H 154 4.171 4.171 4.212 -0.041 17752 4652 1 8 . 1 1 57 57 ALA C C 154 177.719 177.719 176.570 1.149 17752 4653 1 8 . 1 1 57 57 ALA CA C 154 53.285 53.285 52.825 0.460 17752 4654 1 8 . 1 1 57 57 ALA CB C 154 19.767 19.767 19.020 0.747 17752 4655 1 8 . 1 1 58 58 GLU N N 155 115.658 115.658 118.250 -2.592 17752 4656 1 8 . 1 1 58 58 GLU HA H 155 4.556 4.556 4.399 0.157 17752 4657 1 8 . 1 1 58 58 GLU C C 155 174.857 174.857 174.486 0.371 17752 4658 1 8 . 1 1 58 58 GLU CA C 155 54.771 54.771 54.701 0.070 17752 4659 1 8 . 1 1 58 58 GLU CB C 155 32.247 32.247 32.553 -0.306 17752 4660 1 8 . 1 1 58 58 GLU H H 155 7.527 7.527 7.673 -0.146 17752 4661 1 8 . 1 1 59 59 TRP N N 156 121.007 121.007 121.741 -0.734 17752 4662 1 8 . 1 1 59 59 TRP HA H 156 4.334 4.334 4.588 -0.254 17752 4663 1 8 . 1 1 59 59 TRP C C 156 176.227 176.227 176.371 -0.144 17752 4664 1 8 . 1 1 59 59 TRP CA C 156 56.986 56.986 57.056 -0.070 17752 4665 1 8 . 1 1 59 59 TRP CB C 156 31.064 31.064 30.611 0.453 17752 4666 1 8 . 1 1 59 59 TRP H H 156 8.499 8.499 8.514 -0.015 17752 4667 1 8 . 1 1 60 60 GLU N N 157 123.107 123.107 122.682 0.425 17752 4668 1 8 . 1 1 60 60 GLU HA H 157 4.689 4.689 4.704 -0.015 17752 4669 1 8 . 1 1 60 60 GLU C C 157 174.904 174.904 175.456 -0.552 17752 4670 1 8 . 1 1 60 60 GLU CA C 157 55.797 55.797 55.512 0.285 17752 4671 1 8 . 1 1 60 60 GLU CB C 157 31.671 31.671 32.139 -0.468 17752 4672 1 8 . 1 1 60 60 GLU H H 157 8.930 8.930 8.746 0.184 17752 4673 1 8 . 1 1 61 61 ILE N N 158 124.822 124.822 125.553 -0.731 17752 4674 1 8 . 1 1 61 61 ILE HA H 158 4.972 4.972 4.544 0.428 17752 4675 1 8 . 1 1 61 61 ILE C C 158 175.938 175.938 175.772 0.166 17752 4676 1 8 . 1 1 61 61 ILE CA C 158 60.029 60.029 60.517 -0.488 17752 4677 1 8 . 1 1 61 61 ILE CB C 158 39.652 39.652 38.754 0.898 17752 4678 1 8 . 1 1 61 61 ILE H H 158 8.371 8.371 8.828 -0.457 17752 4679 1 8 . 1 1 62 62 HIS N N 159 125.647 125.647 127.423 -1.776 17752 4680 1 8 . 1 1 62 62 HIS HA H 159 4.750 4.750 4.904 -0.154 17752 4681 1 8 . 1 1 62 62 HIS C C 159 173.704 173.704 173.720 -0.016 17752 4682 1 8 . 1 1 62 62 HIS CA C 159 54.910 54.910 54.312 0.598 17752 4683 1 8 . 1 1 62 62 HIS CB C 159 34.940 34.940 31.556 3.384 17752 4684 1 8 . 1 1 62 62 HIS H H 159 9.326 9.326 9.452 -0.126 17752 4685 1 8 . 1 1 63 63 PHE N N 160 124.930 124.930 126.414 -1.484 17752 4686 1 8 . 1 1 63 63 PHE HA H 160 4.897 4.897 4.339 0.558 17752 4687 1 8 . 1 1 63 63 PHE C C 160 174.606 174.606 174.867 -0.261 17752 4688 1 8 . 1 1 63 63 PHE CA C 160 58.097 58.097 58.852 -0.755 17752 4689 1 8 . 1 1 63 63 PHE CB C 160 39.192 39.192 40.093 -0.901 17752 4690 1 8 . 1 1 63 63 PHE H H 160 9.207 9.207 9.080 0.127 17752 4691 1 8 . 1 1 64 64 ALA N N 161 130.696 130.696 128.594 2.102 17752 4692 1 8 . 1 1 64 64 ALA HA H 161 4.645 4.645 4.534 0.111 17752 4693 1 8 . 1 1 64 64 ALA C C 161 177.327 177.327 177.026 0.301 17752 4694 1 8 . 1 1 64 64 ALA CA C 161 51.333 51.333 52.377 -1.044 17752 4695 1 8 . 1 1 64 64 ALA CB C 161 19.696 19.696 20.647 -0.951 17752 4696 1 8 . 1 1 64 64 ALA H H 161 8.371 8.371 8.170 0.201 17752 4697 1 8 . 1 1 65 65 GLY N N 162 105.725 105.725 107.094 -1.369 17752 4698 1 8 . 1 1 65 65 GLY C C 162 173.920 173.920 173.861 0.059 17752 4699 1 8 . 1 1 65 65 GLY CA C 162 47.245 47.245 45.522 1.723 17752 4700 1 8 . 1 1 65 65 GLY H H 162 6.059 6.059 7.335 -1.276 17752 4701 1 8 . 1 1 66 66 GLN N N 163 122.418 122.418 123.664 -1.246 17752 4702 1 8 . 1 1 66 66 GLN HA H 163 5.120 5.120 4.525 0.595 17752 4703 1 8 . 1 1 66 66 GLN C C 163 176.832 176.832 174.582 2.250 17752 4704 1 8 . 1 1 66 66 GLN CA C 163 55.887 55.887 55.450 0.437 17752 4705 1 8 . 1 1 66 66 GLN CB C 163 30.063 30.063 29.114 0.949 17752 4706 1 8 . 1 1 66 66 GLN H H 163 9.029 9.029 8.614 0.415 17752 4707 1 8 . 1 1 67 67 GLN N N 164 119.220 119.220 117.669 1.551 17752 4708 1 8 . 1 1 67 67 GLN HA H 164 4.373 4.373 4.502 -0.129 17752 4709 1 8 . 1 1 67 67 GLN C C 164 173.020 173.020 174.782 -1.762 17752 4710 1 8 . 1 1 67 67 GLN CA C 164 56.025 56.025 55.052 0.973 17752 4711 1 8 . 1 1 67 67 GLN CB C 164 30.868 30.868 30.338 0.530 17752 4712 1 8 . 1 1 67 67 GLN H H 164 7.746 7.746 7.809 -0.063 17752 4713 1 8 . 1 1 68 68 THR N N 165 104.368 104.368 110.179 -5.811 17752 4714 1 8 . 1 1 68 68 THR HA H 165 3.264 3.264 3.757 -0.493 17752 4715 1 8 . 1 1 68 68 THR C C 165 171.726 171.726 172.797 -1.071 17752 4716 1 8 . 1 1 68 68 THR CA C 165 58.963 58.963 60.837 -1.874 17752 4717 1 8 . 1 1 68 68 THR CB C 165 66.777 66.777 68.301 -1.524 17752 4718 1 8 . 1 1 68 68 THR H H 165 7.716 7.716 8.186 -0.470 17752 4719 1 8 . 1 1 69 69 GLU N N 166 113.260 113.260 118.798 -5.538 17752 4720 1 8 . 1 1 69 69 GLU HA H 166 4.597 4.597 4.786 -0.189 17752 4721 1 8 . 1 1 69 69 GLU C C 166 174.977 174.977 174.897 0.080 17752 4722 1 8 . 1 1 69 69 GLU CA C 166 53.742 53.742 53.841 -0.099 17752 4723 1 8 . 1 1 69 69 GLU CB C 166 33.177 33.177 33.104 0.073 17752 4724 1 8 . 1 1 69 69 GLU H H 166 6.562 6.562 7.318 -0.756 17752 4725 1 8 . 1 1 70 70 PHE N N 167 122.043 122.043 123.626 -1.583 17752 4726 1 8 . 1 1 70 70 PHE HA H 167 4.545 4.545 4.975 -0.430 17752 4727 1 8 . 1 1 70 70 PHE C C 167 172.620 172.620 173.601 -0.981 17752 4728 1 8 . 1 1 70 70 PHE CA C 167 58.957 58.957 56.887 2.070 17752 4729 1 8 . 1 1 70 70 PHE CB C 167 45.667 45.667 43.980 1.687 17752 4730 1 8 . 1 1 70 70 PHE H H 167 9.385 9.385 9.339 0.046 17752 4731 1 8 . 1 1 71 71 LYS N N 168 122.342 122.342 124.476 -2.134 17752 4732 1 8 . 1 1 71 71 LYS HA H 168 5.667 5.667 5.463 0.204 17752 4733 1 8 . 1 1 71 71 LYS C C 168 174.656 174.656 175.276 -0.620 17752 4734 1 8 . 1 1 71 71 LYS CA C 168 54.701 54.701 54.281 0.420 17752 4735 1 8 . 1 1 71 71 LYS CB C 168 35.338 35.338 34.574 0.764 17752 4736 1 8 . 1 1 71 71 LYS H H 168 7.129 7.129 7.784 -0.655 17752 4737 1 8 . 1 1 72 72 ILE N N 169 122.191 122.191 123.575 -1.384 17752 4738 1 8 . 1 1 72 72 ILE HA H 169 4.334 4.334 4.222 0.112 17752 4739 1 8 . 1 1 72 72 ILE C C 169 175.258 175.258 174.860 0.398 17752 4740 1 8 . 1 1 72 72 ILE CA C 169 59.091 59.091 58.958 0.133 17752 4741 1 8 . 1 1 72 72 ILE CB C 169 39.295 39.295 39.050 0.245 17752 4742 1 8 . 1 1 72 72 ILE H H 169 8.978 8.978 8.800 0.178 17752 4743 1 8 . 1 1 73 73 LEU N N 170 126.298 126.298 126.867 -0.569 17752 4744 1 8 . 1 1 73 73 LEU HA H 170 4.647 4.647 4.595 0.052 17752 4745 1 8 . 1 1 73 73 LEU C C 170 176.979 176.979 177.557 -0.578 17752 4746 1 8 . 1 1 73 73 LEU CA C 170 56.171 56.171 55.626 0.545 17752 4747 1 8 . 1 1 73 73 LEU CB C 170 43.187 43.187 42.851 0.336 17752 4748 1 8 . 1 1 73 73 LEU H H 170 8.647 8.647 8.582 0.065 17752 4749 1 8 . 1 1 74 74 SER N N 171 112.997 112.997 116.718 -3.721 17752 4750 1 8 . 1 1 74 74 SER HA H 171 4.792 4.792 4.432 0.360 17752 4751 1 8 . 1 1 74 74 SER C C 171 172.975 172.975 173.177 -0.202 17752 4752 1 8 . 1 1 74 74 SER CA C 171 57.259 57.259 58.730 -1.471 17752 4753 1 8 . 1 1 74 74 SER CB C 171 62.829 62.829 61.301 1.528 17752 4754 1 8 . 1 1 74 74 SER H H 171 7.438 7.438 8.122 -0.684 17752 4755 1 8 . 1 1 75 75 LEU N N 172 124.862 124.862 122.524 2.338 17752 4756 1 8 . 1 1 75 75 LEU HA H 172 4.454 4.454 4.456 -0.002 17752 4757 1 8 . 1 1 75 75 LEU C C 172 175.166 175.166 176.399 -1.233 17752 4758 1 8 . 1 1 75 75 LEU CA C 172 53.276 53.276 53.518 -0.242 17752 4759 1 8 . 1 1 75 75 LEU CB C 172 45.925 45.925 45.089 0.836 17752 4760 1 8 . 1 1 75 75 LEU H H 172 7.932 7.932 7.808 0.124 17752 4761 1 8 . 1 1 76 76 HIS N N 173 120.512 120.512 121.546 -1.034 17752 4762 1 8 . 1 1 76 76 HIS HA H 173 5.027 5.027 4.879 0.148 17752 4763 1 8 . 1 1 76 76 HIS C C 173 173.227 173.227 173.198 0.029 17752 4764 1 8 . 1 1 76 76 HIS CA C 173 53.512 53.512 53.456 0.056 17752 4765 1 8 . 1 1 76 76 HIS CB C 173 30.896 30.896 31.161 -0.265 17752 4766 1 8 . 1 1 76 76 HIS H H 173 8.350 8.350 8.690 -0.340 17752 4767 1 8 . 1 1 77 77 PRO HA H 174 4.194 4.194 4.331 -0.137 17752 4768 1 8 . 1 1 77 77 PRO C C 174 178.280 178.280 177.436 0.844 17752 4769 1 8 . 1 1 77 77 PRO CA C 174 63.005 63.005 64.107 -1.102 17752 4770 1 8 . 1 1 77 77 PRO CB C 174 32.946 32.946 31.398 1.548 17752 4771 1 8 . 1 1 78 78 GLY N N 175 109.449 109.449 112.927 -3.478 17752 4772 1 8 . 1 1 78 78 GLY C C 175 173.983 173.983 174.161 -0.178 17752 4773 1 8 . 1 1 78 78 GLY CA C 175 46.309 46.309 44.874 1.435 17752 4774 1 8 . 1 1 78 78 GLY H H 175 7.323 7.323 8.708 -1.385 17752 4775 1 8 . 1 1 79 79 GLN N N 176 116.806 116.806 119.404 -2.598 17752 4776 1 8 . 1 1 79 79 GLN HA H 176 4.564 4.564 4.824 -0.260 17752 4777 1 8 . 1 1 79 79 GLN C C 176 174.210 174.210 174.912 -0.702 17752 4778 1 8 . 1 1 79 79 GLN CA C 176 54.321 54.321 54.449 -0.128 17752 4779 1 8 . 1 1 79 79 GLN CB C 176 30.805 30.805 31.527 -0.722 17752 4780 1 8 . 1 1 79 79 GLN H H 176 7.122 7.122 7.843 -0.721 17752 4781 1 8 . 1 1 80 80 LYS N N 177 123.628 123.628 123.633 -0.005 17752 4782 1 8 . 1 1 80 80 LYS HA H 177 4.989 4.989 4.708 0.281 17752 4783 1 8 . 1 1 80 80 LYS C C 177 175.461 175.461 175.180 0.281 17752 4784 1 8 . 1 1 80 80 LYS CA C 177 55.580 55.580 56.195 -0.615 17752 4785 1 8 . 1 1 80 80 LYS CB C 177 33.369 33.369 34.136 -0.767 17752 4786 1 8 . 1 1 80 80 LYS H H 177 8.679 8.679 9.266 -0.587 17752 4787 1 8 . 1 1 81 81 TYR N N 178 126.820 126.820 123.777 3.043 17752 4788 1 8 . 1 1 81 81 TYR HA H 178 5.084 5.084 4.989 0.095 17752 4789 1 8 . 1 1 81 81 TYR C C 178 174.883 174.883 174.702 0.181 17752 4790 1 8 . 1 1 81 81 TYR CA C 178 57.082 57.082 56.433 0.649 17752 4791 1 8 . 1 1 81 81 TYR CB C 178 41.952 41.952 41.993 -0.041 17752 4792 1 8 . 1 1 81 81 TYR H H 178 9.407 9.407 9.306 0.101 17752 4793 1 8 . 1 1 82 82 LEU N N 179 119.285 119.285 123.724 -4.439 17752 4794 1 8 . 1 1 82 82 LEU HA H 179 4.993 4.993 5.053 -0.060 17752 4795 1 8 . 1 1 82 82 LEU C C 179 176.372 176.372 176.171 0.201 17752 4796 1 8 . 1 1 82 82 LEU CA C 179 54.686 54.686 53.215 1.471 17752 4797 1 8 . 1 1 82 82 LEU CB C 179 45.287 45.287 41.783 3.504 17752 4798 1 8 . 1 1 82 82 LEU H H 179 8.457 8.457 8.400 0.057 17752 4799 1 8 . 1 1 83 83 VAL N N 180 119.136 119.136 118.411 0.725 17752 4800 1 8 . 1 1 83 83 VAL HA H 180 5.167 5.167 5.087 0.080 17752 4801 1 8 . 1 1 83 83 VAL C C 180 175.007 175.007 174.745 0.262 17752 4802 1 8 . 1 1 83 83 VAL CA C 180 60.829 60.829 59.496 1.333 17752 4803 1 8 . 1 1 83 83 VAL CB C 180 35.132 35.132 34.699 0.433 17752 4804 1 8 . 1 1 83 83 VAL H H 180 8.442 8.442 9.130 -0.688 17752 4805 1 8 . 1 1 84 84 GLN N N 181 121.769 121.769 122.394 -0.625 17752 4806 1 8 . 1 1 84 84 GLN HA H 181 4.365 4.365 4.803 -0.438 17752 4807 1 8 . 1 1 84 84 GLN C C 181 172.935 172.935 173.795 -0.860 17752 4808 1 8 . 1 1 84 84 GLN CA C 181 55.052 55.052 54.651 0.401 17752 4809 1 8 . 1 1 84 84 GLN CB C 181 36.079 36.079 33.496 2.583 17752 4810 1 8 . 1 1 84 84 GLN H H 181 8.986 8.986 8.299 0.687 17752 4811 1 8 . 1 1 85 85 VAL N N 182 116.946 116.946 122.099 -5.153 17752 4812 1 8 . 1 1 85 85 VAL HA H 182 5.444 5.444 5.065 0.379 17752 4813 1 8 . 1 1 85 85 VAL C C 182 172.842 172.842 174.376 -1.534 17752 4814 1 8 . 1 1 85 85 VAL CA C 182 59.501 59.501 59.410 0.091 17752 4815 1 8 . 1 1 85 85 VAL CB C 182 35.973 35.973 33.958 2.015 17752 4816 1 8 . 1 1 85 85 VAL H H 182 8.425 8.425 8.643 -0.218 17752 4817 1 8 . 1 1 86 86 ARG N N 183 122.701 122.701 127.687 -4.986 17752 4818 1 8 . 1 1 86 86 ARG HA H 183 4.586 4.586 4.474 0.112 17752 4819 1 8 . 1 1 86 86 ARG C C 183 173.613 173.613 173.766 -0.153 17752 4820 1 8 . 1 1 86 86 ARG CA C 183 54.760 54.760 54.310 0.450 17752 4821 1 8 . 1 1 86 86 ARG CB C 183 33.484 33.484 33.572 -0.088 17752 4822 1 8 . 1 1 86 86 ARG H H 183 8.853 8.853 9.071 -0.218 17752 4823 1 8 . 1 1 87 87 CYS N N 184 113.995 113.995 120.214 -6.219 17752 4824 1 8 . 1 1 87 87 CYS HA H 184 6.281 6.281 4.814 1.467 17752 4825 1 8 . 1 1 87 87 CYS C C 184 172.060 172.060 173.383 -1.323 17752 4826 1 8 . 1 1 87 87 CYS CA C 184 54.763 54.763 54.531 0.232 17752 4827 1 8 . 1 1 87 87 CYS CB C 184 34.453 34.453 31.638 2.815 17752 4828 1 8 . 1 1 87 87 CYS H H 184 8.869 8.869 8.369 0.500 17752 4829 1 8 . 1 1 88 88 LYS N N 185 119.231 119.231 120.406 -1.175 17752 4830 1 8 . 1 1 88 88 LYS HA H 185 4.650 4.650 4.682 -0.032 17752 4831 1 8 . 1 1 88 88 LYS C C 185 172.274 172.274 174.522 -2.248 17752 4832 1 8 . 1 1 88 88 LYS CA C 185 53.192 53.192 53.714 -0.522 17752 4833 1 8 . 1 1 88 88 LYS CB C 185 33.530 33.530 31.984 1.546 17752 4834 1 8 . 1 1 88 88 LYS H H 185 8.680 8.680 8.109 0.571 17752 4835 1 8 . 1 1 89 89 PRO HA H 186 4.874 4.874 4.728 0.146 17752 4836 1 8 . 1 1 89 89 PRO C C 186 177.163 177.163 177.066 0.097 17752 4837 1 8 . 1 1 89 89 PRO CA C 186 60.867 60.867 62.232 -1.365 17752 4838 1 8 . 1 1 89 89 PRO CB C 186 31.041 31.041 32.621 -1.580 17752 4839 1 8 . 1 1 90 90 ASP N N 187 121.615 121.615 117.927 3.688 17752 4840 1 8 . 1 1 90 90 ASP HA H 187 4.571 4.571 3.979 0.592 17752 4841 1 8 . 1 1 90 90 ASP C C 187 176.587 176.587 176.569 0.018 17752 4842 1 8 . 1 1 90 90 ASP CA C 187 56.898 56.898 56.199 0.699 17752 4843 1 8 . 1 1 90 90 ASP CB C 187 40.161 40.161 40.431 -0.271 17752 4844 1 8 . 1 1 90 90 ASP H H 187 8.377 8.377 8.478 -0.101 17752 4845 1 8 . 1 1 91 91 HIS N N 188 115.767 115.767 115.885 -0.118 17752 4846 1 8 . 1 1 91 91 HIS HA H 188 4.487 4.487 4.465 0.022 17752 4847 1 8 . 1 1 91 91 HIS C C 188 174.877 174.877 174.680 0.197 17752 4848 1 8 . 1 1 91 91 HIS CA C 188 56.060 56.060 55.988 0.072 17752 4849 1 8 . 1 1 91 91 HIS CB C 188 29.064 29.064 29.442 -0.378 17752 4850 1 8 . 1 1 91 91 HIS H H 188 8.020 8.020 7.761 0.259 17752 4851 1 8 . 1 1 92 92 GLY N N 189 108.492 108.492 105.029 3.463 17752 4852 1 8 . 1 1 92 92 GLY C C 189 171.977 171.977 171.974 0.003 17752 4853 1 8 . 1 1 92 92 GLY CA C 189 44.356 44.356 45.450 -1.094 17752 4854 1 8 . 1 1 92 92 GLY H H 189 7.648 7.648 7.629 0.019 17752 4855 1 8 . 1 1 93 93 TYR N N 190 120.823 120.823 115.445 5.378 17752 4856 1 8 . 1 1 93 93 TYR HA H 190 4.589 4.589 4.693 -0.104 17752 4857 1 8 . 1 1 93 93 TYR C C 190 174.685 174.685 173.556 1.129 17752 4858 1 8 . 1 1 93 93 TYR CA C 190 55.924 55.924 56.476 -0.552 17752 4859 1 8 . 1 1 93 93 TYR CB C 190 40.462 40.462 38.689 1.773 17752 4860 1 8 . 1 1 93 93 TYR H H 190 8.265 8.265 7.584 0.681 17752 4861 1 8 . 1 1 94 94 TRP N N 191 117.501 117.501 123.593 -6.092 17752 4862 1 8 . 1 1 94 94 TRP HA H 191 4.399 4.399 4.338 0.061 17752 4863 1 8 . 1 1 94 94 TRP C C 191 178.522 178.522 175.762 2.760 17752 4864 1 8 . 1 1 94 94 TRP CA C 191 57.620 57.620 58.400 -0.780 17752 4865 1 8 . 1 1 94 94 TRP CB C 191 30.530 30.530 29.403 1.127 17752 4866 1 8 . 1 1 94 94 TRP H H 191 7.637 7.637 8.405 -0.768 17752 4867 1 8 . 1 1 95 95 SER N N 192 117.327 117.327 119.284 -1.957 17752 4868 1 8 . 1 1 95 95 SER HA H 192 4.314 4.314 4.197 0.117 17752 4869 1 8 . 1 1 95 95 SER C C 192 173.924 173.924 174.333 -0.409 17752 4870 1 8 . 1 1 95 95 SER CA C 192 57.840 57.840 57.780 0.060 17752 4871 1 8 . 1 1 95 95 SER CB C 192 67.312 67.312 63.669 3.643 17752 4872 1 8 . 1 1 95 95 SER H H 192 9.755 9.755 8.037 1.718 17752 4873 1 8 . 1 1 96 96 ALA N N 193 120.747 120.747 123.426 -2.679 17752 4874 1 8 . 1 1 96 96 ALA HA H 193 4.134 4.134 3.992 0.142 17752 4875 1 8 . 1 1 96 96 ALA C C 193 178.311 178.311 175.101 3.210 17752 4876 1 8 . 1 1 96 96 ALA CA C 193 52.387 52.387 53.130 -0.743 17752 4877 1 8 . 1 1 96 96 ALA CB C 193 18.821 18.821 18.109 0.712 17752 4878 1 8 . 1 1 96 96 ALA H H 193 8.824 8.824 7.555 1.269 17752 4879 1 8 . 1 1 97 97 TRP N N 194 120.634 120.634 118.893 1.741 17752 4880 1 8 . 1 1 97 97 TRP HA H 194 4.314 4.314 4.736 -0.422 17752 4881 1 8 . 1 1 97 97 TRP C C 194 177.944 177.944 176.174 1.770 17752 4882 1 8 . 1 1 97 97 TRP CA C 194 57.825 57.825 57.060 0.765 17752 4883 1 8 . 1 1 97 97 TRP CB C 194 29.702 29.702 30.576 -0.874 17752 4884 1 8 . 1 1 97 97 TRP H H 194 8.118 8.118 8.127 -0.009 17752 4885 1 8 . 1 1 98 98 SER N N 195 118.649 118.649 114.564 4.085 17752 4886 1 8 . 1 1 98 98 SER HA H 195 4.372 4.372 4.682 -0.310 17752 4887 1 8 . 1 1 98 98 SER C C 195 170.132 170.132 172.852 -2.720 17752 4888 1 8 . 1 1 98 98 SER CA C 195 57.851 57.851 58.985 -1.134 17752 4889 1 8 . 1 1 98 98 SER CB C 195 62.213 62.213 62.825 -0.612 17752 4890 1 8 . 1 1 98 98 SER H H 195 9.327 9.327 8.715 0.612 17752 4891 1 8 . 1 1 99 99 PRO HA H 196 4.585 4.585 4.568 0.017 17752 4892 1 8 . 1 1 99 99 PRO C C 196 178.242 178.242 175.605 2.637 17752 4893 1 8 . 1 1 99 99 PRO CA C 196 63.403 63.403 62.424 0.979 17752 4894 1 8 . 1 1 99 99 PRO CB C 196 31.405 31.405 30.289 1.116 17752 4895 1 8 . 1 1 100 100 ALA N N 197 127.219 127.219 127.782 -0.563 17752 4896 1 8 . 1 1 100 100 ALA HA H 197 4.680 4.680 4.363 0.317 17752 4897 1 8 . 1 1 100 100 ALA C C 197 178.043 178.043 177.014 1.029 17752 4898 1 8 . 1 1 100 100 ALA CA C 197 52.309 52.309 51.588 0.721 17752 4899 1 8 . 1 1 100 100 ALA CB C 197 18.973 18.973 19.294 -0.321 17752 4900 1 8 . 1 1 100 100 ALA H H 197 9.001 9.001 8.133 0.868 17752 4901 1 8 . 1 1 101 101 THR N N 198 118.178 118.178 121.545 -3.367 17752 4902 1 8 . 1 1 101 101 THR HA H 198 4.598 4.598 4.722 -0.124 17752 4903 1 8 . 1 1 101 101 THR C C 198 172.242 172.242 173.745 -1.503 17752 4904 1 8 . 1 1 101 101 THR CA C 198 61.440 61.440 62.413 -0.973 17752 4905 1 8 . 1 1 101 101 THR CB C 198 70.945 70.945 70.033 0.912 17752 4906 1 8 . 1 1 101 101 THR H H 198 8.617 8.617 8.950 -0.333 17752 4907 1 8 . 1 1 102 102 PHE N N 199 123.141 123.141 126.030 -2.889 17752 4908 1 8 . 1 1 102 102 PHE HA H 199 5.867 5.867 4.916 0.951 17752 4909 1 8 . 1 1 102 102 PHE C C 199 175.273 175.273 176.035 -0.762 17752 4910 1 8 . 1 1 102 102 PHE CA C 199 55.877 55.877 57.801 -1.924 17752 4911 1 8 . 1 1 102 102 PHE CB C 199 42.052 42.052 40.255 1.797 17752 4912 1 8 . 1 1 102 102 PHE H H 199 8.419 8.419 8.982 -0.563 17752 4913 1 8 . 1 1 103 103 ILE N N 200 118.251 118.251 124.539 -6.288 17752 4914 1 8 . 1 1 103 103 ILE HA H 200 4.674 4.674 4.585 0.089 17752 4915 1 8 . 1 1 103 103 ILE C C 200 171.732 171.732 173.947 -2.215 17752 4916 1 8 . 1 1 103 103 ILE CA C 200 58.046 58.046 59.735 -1.689 17752 4917 1 8 . 1 1 103 103 ILE CB C 200 41.631 41.631 42.729 -1.098 17752 4918 1 8 . 1 1 103 103 ILE H H 200 8.940 8.940 9.068 -0.128 17752 4919 1 8 . 1 1 104 104 GLN N N 201 127.961 127.961 127.924 0.037 17752 4920 1 8 . 1 1 104 104 GLN HA H 201 4.592 4.592 4.594 -0.002 17752 4921 1 8 . 1 1 104 104 GLN C C 201 174.363 174.363 175.265 -0.902 17752 4922 1 8 . 1 1 104 104 GLN CA C 201 54.484 54.484 54.639 -0.155 17752 4923 1 8 . 1 1 104 104 GLN CB C 201 29.320 29.320 29.848 -0.528 17752 4924 1 8 . 1 1 104 104 GLN H H 201 8.641 8.641 8.561 0.080 17752 4925 1 8 . 1 1 105 105 ILE N N 202 129.177 129.177 127.277 1.900 17752 4926 1 8 . 1 1 105 105 ILE HA H 202 4.406 4.406 4.408 -0.002 17752 4927 1 8 . 1 1 105 105 ILE C C 202 175.609 175.609 174.805 0.804 17752 4928 1 8 . 1 1 105 105 ILE CA C 202 56.023 56.023 57.024 -1.001 17752 4929 1 8 . 1 1 105 105 ILE CB C 202 35.689 35.689 37.179 -1.490 17752 4930 1 8 . 1 1 105 105 ILE H H 202 8.676 8.676 8.695 -0.019 17752 4931 1 8 . 1 1 106 106 PRO HA H 203 4.578 4.578 4.605 -0.027 17752 4932 1 8 . 1 1 106 106 PRO CB C 203 33.030 33.030 32.384 0.646 17752 4933 1 8 . 1 1 107 107 SER N N 204 115.204 115.204 117.346 -2.142 17752 4934 1 8 . 1 1 107 107 SER HA H 204 4.108 4.108 4.156 -0.048 17752 4935 1 8 . 1 1 107 107 SER C C 204 173.757 173.757 174.812 -1.055 17752 4936 1 8 . 1 1 107 107 SER CA C 204 60.355 60.355 60.628 -0.273 17752 4937 1 8 . 1 1 107 107 SER CB C 204 63.094 63.094 63.110 -0.016 17752 4938 1 8 . 1 1 107 107 SER H H 204 7.914 7.914 8.748 -0.834 17752 4939 1 8 . 1 1 108 108 ASP N N 205 118.737 118.737 118.341 0.396 17752 4940 1 8 . 1 1 108 108 ASP HA H 205 4.659 4.659 4.596 0.063 17752 4941 1 8 . 1 1 108 108 ASP C C 205 175.704 175.704 175.665 0.039 17752 4942 1 8 . 1 1 108 108 ASP CA C 205 53.229 53.229 53.199 0.030 17752 4943 1 8 . 1 1 108 108 ASP CB C 205 40.152 40.152 39.561 0.591 17752 4944 1 8 . 1 1 108 108 ASP H H 205 8.244 8.244 8.092 0.152 17752 4945 1 8 . 1 1 109 109 PHE N N 206 120.285 120.285 121.618 -1.333 17752 4946 1 8 . 1 1 109 109 PHE HA H 206 4.411 4.411 4.223 0.188 17752 4947 1 8 . 1 1 109 109 PHE C C 206 174.781 174.781 175.409 -0.628 17752 4948 1 8 . 1 1 109 109 PHE CA C 206 58.706 58.706 60.955 -2.249 17752 4949 1 8 . 1 1 109 109 PHE CB C 206 40.075 40.075 39.571 0.504 17752 4950 1 8 . 1 1 109 109 PHE H H 206 7.595 7.595 7.677 -0.082 17752 4951 1 8 . 1 1 110 110 THR N N 207 115.253 115.253 113.806 1.447 17752 4952 1 8 . 1 1 110 110 THR HA H 207 4.294 4.294 4.100 0.194 17752 4953 1 8 . 1 1 110 110 THR C C 207 173.714 173.714 174.229 -0.515 17752 4954 1 8 . 1 1 110 110 THR CA C 207 61.742 61.742 62.256 -0.514 17752 4955 1 8 . 1 1 110 110 THR CB C 207 70.070 70.070 68.213 1.857 17752 4956 1 8 . 1 1 110 110 THR H H 207 7.812 7.812 8.057 -0.245 17752 4957 1 8 . 1 1 111 111 MET N N 208 122.575 122.575 126.412 -3.837 17752 4958 1 8 . 1 1 111 111 MET HA H 208 4.555 4.555 4.317 0.238 17752 4959 1 8 . 1 1 111 111 MET C C 208 175.656 175.656 175.948 -0.292 17752 4960 1 8 . 1 1 111 111 MET CA C 208 55.451 55.451 56.010 -0.559 17752 4961 1 8 . 1 1 111 111 MET CB C 208 33.175 33.175 32.506 0.669 17752 4962 1 8 . 1 1 111 111 MET H H 208 8.391 8.391 7.824 0.567 17752 4963 1 8 . 1 1 112 112 ASN N N 209 120.351 120.351 123.429 -3.078 17752 4964 1 8 . 1 1 112 112 ASN HA H 209 4.785 4.785 5.003 -0.218 17752 4965 1 8 . 1 1 112 112 ASN C C 209 173.846 173.846 173.327 0.519 17752 4966 1 8 . 1 1 112 112 ASN CA C 209 53.341 53.341 52.643 0.698 17752 4967 1 8 . 1 1 112 112 ASN CB C 209 39.600 39.600 39.846 -0.247 17752 4968 1 8 . 1 1 112 112 ASN H H 209 8.442 8.442 8.389 0.053 17752 4969 1 9 . 1 1 2 2 TYR HA H 99 4.624 4.624 4.683 -0.059 17752 4970 1 9 . 1 1 2 2 TYR C C 99 174.994 174.994 173.777 1.217 17752 4971 1 9 . 1 1 2 2 TYR CA C 99 57.524 57.524 56.791 0.733 17752 4972 1 9 . 1 1 2 2 TYR CB C 99 38.543 38.543 40.115 -1.572 17752 4973 1 9 . 1 1 3 3 ILE N N 100 124.242 124.242 126.274 -2.032 17752 4974 1 9 . 1 1 3 3 ILE HA H 100 4.058 4.058 4.103 -0.045 17752 4975 1 9 . 1 1 3 3 ILE C C 100 174.994 174.994 175.157 -0.163 17752 4976 1 9 . 1 1 3 3 ILE CA C 100 60.621 60.621 60.708 -0.087 17752 4977 1 9 . 1 1 3 3 ILE CB C 100 38.685 38.685 36.008 2.677 17752 4978 1 9 . 1 1 3 3 ILE H H 100 8.034 8.034 7.985 0.049 17752 4979 1 9 . 1 1 4 4 VAL N N 101 123.770 123.770 123.388 0.382 17752 4980 1 9 . 1 1 4 4 VAL HA H 101 4.024 4.024 4.162 -0.138 17752 4981 1 9 . 1 1 4 4 VAL C C 101 174.457 174.457 174.877 -0.420 17752 4982 1 9 . 1 1 4 4 VAL CA C 101 62.142 62.142 61.223 0.919 17752 4983 1 9 . 1 1 4 4 VAL CB C 101 32.961 32.961 32.538 0.423 17752 4984 1 9 . 1 1 4 4 VAL H H 101 7.858 7.858 7.566 0.292 17752 4985 1 9 . 1 1 5 5 GLN N N 102 124.937 124.937 125.134 -0.197 17752 4986 1 9 . 1 1 5 5 GLN HA H 102 4.859 4.859 4.677 0.182 17752 4987 1 9 . 1 1 5 5 GLN C C 102 173.189 173.189 174.053 -0.864 17752 4988 1 9 . 1 1 5 5 GLN CA C 102 52.458 52.458 52.922 -0.464 17752 4989 1 9 . 1 1 5 5 GLN CB C 102 30.185 30.185 28.338 1.847 17752 4990 1 9 . 1 1 5 5 GLN H H 102 8.269 8.269 8.459 -0.190 17752 4991 1 9 . 1 1 6 6 PRO HA H 103 4.533 4.533 4.373 0.160 17752 4992 1 9 . 1 1 6 6 PRO C C 103 175.646 175.646 176.385 -0.739 17752 4993 1 9 . 1 1 6 6 PRO CA C 103 62.290 62.290 63.803 -1.513 17752 4994 1 9 . 1 1 6 6 PRO CB C 103 31.983 31.983 32.269 -0.286 17752 4995 1 9 . 1 1 7 7 ASP N N 104 120.340 120.340 118.131 2.209 17752 4996 1 9 . 1 1 7 7 ASP HA H 104 4.851 4.851 4.942 -0.091 17752 4997 1 9 . 1 1 7 7 ASP C C 104 171.565 171.565 173.779 -2.214 17752 4998 1 9 . 1 1 7 7 ASP CA C 104 53.742 53.742 52.018 1.724 17752 4999 1 9 . 1 1 7 7 ASP CB C 104 40.258 40.258 42.065 -1.807 17752 5000 1 9 . 1 1 7 7 ASP H H 104 7.897 7.897 8.139 -0.242 17752 5001 1 9 . 1 1 9 9 PRO HA H 106 4.332 4.332 4.599 -0.267 17752 5002 1 9 . 1 1 9 9 PRO C C 106 174.091 174.091 176.529 -2.438 17752 5003 1 9 . 1 1 9 9 PRO CA C 106 62.569 62.569 63.175 -0.606 17752 5004 1 9 . 1 1 9 9 PRO CB C 106 32.391 32.391 31.787 0.604 17752 5005 1 9 . 1 1 10 10 LEU N N 107 118.910 118.910 119.688 -0.778 17752 5006 1 9 . 1 1 10 10 LEU HA H 107 4.642 4.642 4.903 -0.261 17752 5007 1 9 . 1 1 10 10 LEU C C 107 175.964 175.964 175.891 0.073 17752 5008 1 9 . 1 1 10 10 LEU CA C 107 53.919 53.919 53.215 0.704 17752 5009 1 9 . 1 1 10 10 LEU CB C 107 46.315 46.315 45.069 1.246 17752 5010 1 9 . 1 1 10 10 LEU H H 107 7.793 7.793 8.439 -0.646 17752 5011 1 9 . 1 1 11 11 GLU N N 108 113.307 113.307 115.966 -2.659 17752 5012 1 9 . 1 1 11 11 GLU HA H 108 3.805 3.805 3.977 -0.172 17752 5013 1 9 . 1 1 11 11 GLU C C 108 175.118 175.118 175.116 0.002 17752 5014 1 9 . 1 1 11 11 GLU CA C 108 56.418 56.418 57.067 -0.649 17752 5015 1 9 . 1 1 11 11 GLU CB C 108 27.789 27.789 27.808 -0.019 17752 5016 1 9 . 1 1 11 11 GLU H H 108 8.539 8.539 8.709 -0.170 17752 5017 1 9 . 1 1 12 12 LEU N N 109 120.420 120.420 121.325 -0.905 17752 5018 1 9 . 1 1 12 12 LEU HA H 109 4.903 4.903 4.517 0.386 17752 5019 1 9 . 1 1 12 12 LEU C C 109 176.238 176.238 175.858 0.380 17752 5020 1 9 . 1 1 12 12 LEU CA C 109 56.228 56.228 54.885 1.343 17752 5021 1 9 . 1 1 12 12 LEU CB C 109 42.021 42.021 41.853 0.168 17752 5022 1 9 . 1 1 12 12 LEU H H 109 8.053 8.053 8.055 -0.002 17752 5023 1 9 . 1 1 13 13 ALA N N 110 132.286 132.286 131.692 0.594 17752 5024 1 9 . 1 1 13 13 ALA HA H 110 4.833 4.833 4.695 0.138 17752 5025 1 9 . 1 1 13 13 ALA C C 110 175.560 175.560 175.515 0.045 17752 5026 1 9 . 1 1 13 13 ALA CA C 110 51.152 51.152 51.404 -0.251 17752 5027 1 9 . 1 1 13 13 ALA CB C 110 21.788 21.788 20.043 1.745 17752 5028 1 9 . 1 1 13 13 ALA H H 110 9.653 9.653 8.837 0.816 17752 5029 1 9 . 1 1 14 14 VAL N N 111 116.305 116.305 125.457 -9.152 17752 5030 1 9 . 1 1 14 14 VAL HA H 111 5.293 5.293 4.947 0.346 17752 5031 1 9 . 1 1 14 14 VAL C C 111 174.459 174.459 175.605 -1.146 17752 5032 1 9 . 1 1 14 14 VAL CA C 111 59.146 59.146 61.039 -1.893 17752 5033 1 9 . 1 1 14 14 VAL CB C 111 35.256 35.256 34.304 0.952 17752 5034 1 9 . 1 1 14 14 VAL H H 111 8.477 8.477 8.536 -0.059 17752 5035 1 9 . 1 1 15 15 GLU N N 112 122.235 122.235 125.215 -2.980 17752 5036 1 9 . 1 1 15 15 GLU HA H 112 4.659 4.659 4.724 -0.065 17752 5037 1 9 . 1 1 15 15 GLU C C 112 174.581 174.581 174.132 0.449 17752 5038 1 9 . 1 1 15 15 GLU CA C 112 55.224 55.224 54.070 1.154 17752 5039 1 9 . 1 1 15 15 GLU CB C 112 34.744 34.744 33.275 1.469 17752 5040 1 9 . 1 1 15 15 GLU H H 112 8.947 8.947 8.929 0.018 17752 5041 1 9 . 1 1 16 16 VAL N N 113 124.568 124.568 121.425 3.143 17752 5042 1 9 . 1 1 16 16 VAL HA H 113 4.441 4.441 4.514 -0.073 17752 5043 1 9 . 1 1 16 16 VAL C C 113 175.480 175.480 174.824 0.656 17752 5044 1 9 . 1 1 16 16 VAL CA C 113 62.281 62.281 60.863 1.418 17752 5045 1 9 . 1 1 16 16 VAL CB C 113 31.565 31.565 33.412 -1.847 17752 5046 1 9 . 1 1 16 16 VAL H H 113 9.044 9.044 8.608 0.436 17752 5047 1 9 . 1 1 17 17 LYS N N 114 128.676 128.676 128.789 -0.113 17752 5048 1 9 . 1 1 17 17 LYS HA H 114 4.403 4.403 4.461 -0.058 17752 5049 1 9 . 1 1 17 17 LYS C C 114 174.547 174.547 174.840 -0.293 17752 5050 1 9 . 1 1 17 17 LYS CA C 114 53.518 53.518 53.758 -0.240 17752 5051 1 9 . 1 1 17 17 LYS CB C 114 32.995 32.995 32.854 0.141 17752 5052 1 9 . 1 1 17 17 LYS H H 114 8.788 8.788 8.834 -0.046 17752 5053 1 9 . 1 1 18 18 GLN N N 115 119.854 119.854 125.077 -5.223 17752 5054 1 9 . 1 1 18 18 GLN HA H 115 4.691 4.691 4.581 0.110 17752 5055 1 9 . 1 1 18 18 GLN C C 115 172.587 172.587 173.980 -1.393 17752 5056 1 9 . 1 1 18 18 GLN CA C 115 52.787 52.787 53.724 -0.937 17752 5057 1 9 . 1 1 18 18 GLN CB C 115 30.109 30.109 28.464 1.645 17752 5058 1 9 . 1 1 18 18 GLN H H 115 8.537 8.537 8.643 -0.106 17752 5059 1 9 . 1 1 19 19 PRO HA H 116 4.526 4.526 4.323 0.203 17752 5060 1 9 . 1 1 19 19 PRO C C 116 176.958 176.958 176.303 0.655 17752 5061 1 9 . 1 1 19 19 PRO CA C 116 62.106 62.106 63.579 -1.473 17752 5062 1 9 . 1 1 19 19 PRO CB C 116 32.375 32.375 32.420 -0.046 17752 5063 1 9 . 1 1 20 20 GLU N N 117 119.774 119.774 114.867 4.907 17752 5064 1 9 . 1 1 20 20 GLU HA H 117 4.079 4.079 4.216 -0.137 17752 5065 1 9 . 1 1 20 20 GLU C C 117 176.961 176.961 176.250 0.711 17752 5066 1 9 . 1 1 20 20 GLU CA C 117 58.256 58.256 56.969 1.286 17752 5067 1 9 . 1 1 20 20 GLU CB C 117 29.653 29.653 29.450 0.204 17752 5068 1 9 . 1 1 20 20 GLU H H 117 8.806 8.806 8.017 0.789 17752 5069 1 9 . 1 1 21 21 ASP N N 118 116.513 116.513 119.941 -3.428 17752 5070 1 9 . 1 1 21 21 ASP HA H 118 4.482 4.482 4.545 -0.063 17752 5071 1 9 . 1 1 21 21 ASP C C 118 175.271 175.271 176.663 -1.392 17752 5072 1 9 . 1 1 21 21 ASP CA C 118 54.231 54.231 54.944 -0.713 17752 5073 1 9 . 1 1 21 21 ASP CB C 118 40.460 40.460 41.160 -0.700 17752 5074 1 9 . 1 1 21 21 ASP H H 118 8.449 8.449 8.341 0.108 17752 5075 1 9 . 1 1 22 22 ARG N N 119 115.342 115.342 120.873 -5.531 17752 5076 1 9 . 1 1 22 22 ARG HA H 119 4.491 4.491 4.325 0.166 17752 5077 1 9 . 1 1 22 22 ARG C C 119 174.745 174.745 175.992 -1.247 17752 5078 1 9 . 1 1 22 22 ARG CA C 119 54.806 54.806 55.860 -1.054 17752 5079 1 9 . 1 1 22 22 ARG CB C 119 32.004 32.004 30.723 1.281 17752 5080 1 9 . 1 1 22 22 ARG H H 119 7.448 7.448 8.025 -0.577 17752 5081 1 9 . 1 1 23 23 LYS N N 120 119.981 119.981 124.065 -4.084 17752 5082 1 9 . 1 1 23 23 LYS HA H 120 4.489 4.489 4.370 0.119 17752 5083 1 9 . 1 1 23 23 LYS C C 120 173.641 173.641 175.081 -1.440 17752 5084 1 9 . 1 1 23 23 LYS CA C 120 54.621 54.621 54.656 -0.035 17752 5085 1 9 . 1 1 23 23 LYS CB C 120 31.611 31.611 31.816 -0.205 17752 5086 1 9 . 1 1 23 23 LYS H H 120 7.982 7.982 8.418 -0.436 17752 5087 1 9 . 1 1 24 24 PRO HA H 121 4.813 4.813 4.555 0.258 17752 5088 1 9 . 1 1 24 24 PRO C C 121 174.901 174.901 175.334 -0.433 17752 5089 1 9 . 1 1 24 24 PRO CA C 121 62.720 62.720 62.867 -0.147 17752 5090 1 9 . 1 1 24 24 PRO CB C 121 33.066 33.066 31.496 1.570 17752 5091 1 9 . 1 1 25 25 TYR N N 122 111.573 111.573 119.358 -7.785 17752 5092 1 9 . 1 1 25 25 TYR HA H 122 5.134 5.134 5.252 -0.118 17752 5093 1 9 . 1 1 25 25 TYR C C 122 172.672 172.672 173.229 -0.557 17752 5094 1 9 . 1 1 25 25 TYR CA C 122 55.650 55.650 55.586 0.064 17752 5095 1 9 . 1 1 25 25 TYR CB C 122 40.394 40.394 41.002 -0.608 17752 5096 1 9 . 1 1 25 25 TYR H H 122 8.287 8.287 8.379 -0.092 17752 5097 1 9 . 1 1 26 26 LEU N N 123 120.288 120.288 122.132 -1.844 17752 5098 1 9 . 1 1 26 26 LEU HA H 123 4.907 4.907 4.767 0.140 17752 5099 1 9 . 1 1 26 26 LEU C C 123 174.277 174.277 175.426 -1.149 17752 5100 1 9 . 1 1 26 26 LEU CA C 123 53.789 53.789 54.611 -0.822 17752 5101 1 9 . 1 1 26 26 LEU CB C 123 44.717 44.717 44.443 0.274 17752 5102 1 9 . 1 1 26 26 LEU H H 123 9.073 9.073 8.693 0.380 17752 5103 1 9 . 1 1 27 27 TRP N N 124 130.187 130.187 131.279 -1.092 17752 5104 1 9 . 1 1 27 27 TRP HA H 124 5.555 5.555 5.470 0.085 17752 5105 1 9 . 1 1 27 27 TRP C C 124 173.810 173.810 174.508 -0.698 17752 5106 1 9 . 1 1 27 27 TRP CA C 124 55.161 55.161 54.758 0.403 17752 5107 1 9 . 1 1 27 27 TRP CB C 124 31.383 31.383 31.027 0.356 17752 5108 1 9 . 1 1 27 27 TRP H H 124 9.628 9.628 9.529 0.099 17752 5109 1 9 . 1 1 28 28 ILE N N 125 128.941 128.941 129.624 -0.683 17752 5110 1 9 . 1 1 28 28 ILE HA H 125 4.814 4.814 4.308 0.506 17752 5111 1 9 . 1 1 28 28 ILE C C 125 173.004 173.004 173.840 -0.836 17752 5112 1 9 . 1 1 28 28 ILE CA C 125 60.152 60.152 60.418 -0.266 17752 5113 1 9 . 1 1 28 28 ILE CB C 125 41.018 41.018 38.707 2.311 17752 5114 1 9 . 1 1 28 28 ILE H H 125 8.867 8.867 9.297 -0.430 17752 5115 1 9 . 1 1 29 29 LYS N N 126 124.705 124.705 127.921 -3.216 17752 5116 1 9 . 1 1 29 29 LYS HA H 126 4.553 4.553 4.548 0.005 17752 5117 1 9 . 1 1 29 29 LYS C C 126 173.764 173.764 174.384 -0.620 17752 5118 1 9 . 1 1 29 29 LYS CA C 126 55.137 55.137 53.923 1.214 17752 5119 1 9 . 1 1 29 29 LYS CB C 126 35.952 35.952 35.504 0.448 17752 5120 1 9 . 1 1 29 29 LYS H H 126 8.789 8.789 8.503 0.286 17752 5121 1 9 . 1 1 30 30 TRP N N 127 118.127 118.127 125.468 -7.341 17752 5122 1 9 . 1 1 30 30 TRP HA H 127 5.010 5.010 5.445 -0.435 17752 5123 1 9 . 1 1 30 30 TRP C C 127 173.354 173.354 175.487 -2.133 17752 5124 1 9 . 1 1 30 30 TRP CA C 127 57.079 57.079 53.675 3.404 17752 5125 1 9 . 1 1 30 30 TRP CB C 127 29.480 29.480 31.331 -1.851 17752 5126 1 9 . 1 1 30 30 TRP H H 127 7.408 7.408 7.319 0.089 17752 5127 1 9 . 1 1 31 31 SER N N 128 113.791 113.791 117.668 -3.877 17752 5128 1 9 . 1 1 31 31 SER HA H 128 5.137 5.137 4.890 0.247 17752 5129 1 9 . 1 1 31 31 SER C C 128 171.258 171.258 173.269 -2.011 17752 5130 1 9 . 1 1 31 31 SER CA C 128 55.299 55.299 56.255 -0.956 17752 5131 1 9 . 1 1 31 31 SER CB C 128 63.849 63.849 63.634 0.215 17752 5132 1 9 . 1 1 31 31 SER H H 128 8.972 8.972 9.124 -0.152 17752 5133 1 9 . 1 1 32 32 PRO HA H 129 4.953 4.953 4.964 -0.011 17752 5134 1 9 . 1 1 33 33 PRO HA H 130 4.515 4.515 4.479 0.036 17752 5135 1 9 . 1 1 33 33 PRO C C 130 176.322 176.322 176.732 -0.410 17752 5136 1 9 . 1 1 33 33 PRO CA C 130 62.668 62.668 63.396 -0.728 17752 5137 1 9 . 1 1 33 33 PRO CB C 130 32.077 32.077 32.305 -0.228 17752 5138 1 9 . 1 1 34 34 THR N N 131 113.844 113.844 114.413 -0.569 17752 5139 1 9 . 1 1 34 34 THR HA H 131 4.147 4.147 4.171 -0.024 17752 5140 1 9 . 1 1 34 34 THR C C 131 174.576 174.576 175.170 -0.594 17752 5141 1 9 . 1 1 34 34 THR CA C 131 62.833 62.833 63.778 -0.945 17752 5142 1 9 . 1 1 34 34 THR CB C 131 69.346 69.346 69.073 0.273 17752 5143 1 9 . 1 1 34 34 THR H H 131 8.128 8.128 8.327 -0.199 17752 5144 1 9 . 1 1 35 35 LEU N N 132 125.831 125.831 122.489 3.342 17752 5145 1 9 . 1 1 35 35 LEU HA H 132 4.432 4.432 4.582 -0.150 17752 5146 1 9 . 1 1 35 35 LEU C C 132 176.794 176.794 176.026 0.768 17752 5147 1 9 . 1 1 35 35 LEU CA C 132 54.799 54.799 54.429 0.370 17752 5148 1 9 . 1 1 35 35 LEU CB C 132 42.344 42.344 42.408 -0.064 17752 5149 1 9 . 1 1 35 35 LEU H H 132 8.336 8.336 7.857 0.479 17752 5150 1 9 . 1 1 36 36 ILE N N 133 121.733 121.733 122.177 -0.444 17752 5151 1 9 . 1 1 36 36 ILE HA H 133 4.070 4.070 4.262 -0.192 17752 5152 1 9 . 1 1 36 36 ILE C C 133 175.690 175.690 175.997 -0.307 17752 5153 1 9 . 1 1 36 36 ILE CA C 133 61.695 61.695 61.352 0.343 17752 5154 1 9 . 1 1 36 36 ILE CB C 133 38.553 38.553 39.191 -0.637 17752 5155 1 9 . 1 1 36 36 ILE H H 133 8.054 8.054 8.607 -0.553 17752 5156 1 9 . 1 1 37 37 ASP N N 134 121.852 121.852 120.485 1.367 17752 5157 1 9 . 1 1 37 37 ASP HA H 134 4.573 4.573 4.542 0.031 17752 5158 1 9 . 1 1 37 37 ASP C C 134 176.011 176.011 175.732 0.279 17752 5159 1 9 . 1 1 37 37 ASP CA C 134 54.346 54.346 54.422 -0.076 17752 5160 1 9 . 1 1 37 37 ASP CB C 134 41.096 41.096 41.170 -0.074 17752 5161 1 9 . 1 1 37 37 ASP H H 134 8.254 8.254 8.333 -0.079 17752 5162 1 9 . 1 1 38 38 LEU N N 135 122.044 122.044 124.501 -2.457 17752 5163 1 9 . 1 1 38 38 LEU HA H 135 4.225 4.225 4.843 -0.618 17752 5164 1 9 . 1 1 38 38 LEU C C 135 177.779 177.779 177.531 0.248 17752 5165 1 9 . 1 1 38 38 LEU CA C 135 55.748 55.748 55.067 0.681 17752 5166 1 9 . 1 1 38 38 LEU CB C 135 42.220 42.220 41.707 0.513 17752 5167 1 9 . 1 1 38 38 LEU H H 135 8.052 8.052 8.505 -0.453 17752 5168 1 9 . 1 1 39 39 LYS N N 136 119.589 119.589 124.550 -4.961 17752 5169 1 9 . 1 1 39 39 LYS HA H 136 4.225 4.225 4.174 0.051 17752 5170 1 9 . 1 1 39 39 LYS C C 136 177.024 177.024 177.021 0.003 17752 5171 1 9 . 1 1 39 39 LYS CA C 136 57.161 57.161 58.282 -1.121 17752 5172 1 9 . 1 1 39 39 LYS CB C 136 32.220 32.220 32.898 -0.678 17752 5173 1 9 . 1 1 39 39 LYS H H 136 8.295 8.295 8.818 -0.523 17752 5174 1 9 . 1 1 40 40 THR N N 137 112.003 112.003 110.571 1.432 17752 5175 1 9 . 1 1 40 40 THR HA H 137 4.189 4.189 4.512 -0.323 17752 5176 1 9 . 1 1 40 40 THR C C 137 174.914 174.914 175.479 -0.565 17752 5177 1 9 . 1 1 40 40 THR CA C 137 62.152 62.152 60.088 2.064 17752 5178 1 9 . 1 1 40 40 THR CB C 137 69.513 69.513 70.650 -1.137 17752 5179 1 9 . 1 1 40 40 THR H H 137 7.787 7.787 7.444 0.343 17752 5180 1 9 . 1 1 41 41 GLY N N 138 109.975 109.975 111.596 -1.621 17752 5181 1 9 . 1 1 41 41 GLY C C 138 173.470 173.470 174.916 -1.446 17752 5182 1 9 . 1 1 41 41 GLY CA C 138 45.370 45.370 45.524 -0.154 17752 5183 1 9 . 1 1 41 41 GLY H H 138 8.017 8.017 8.669 -0.652 17752 5184 1 9 . 1 1 42 42 TRP N N 139 119.581 119.581 120.673 -1.092 17752 5185 1 9 . 1 1 42 42 TRP HA H 139 4.634 4.634 4.591 0.043 17752 5186 1 9 . 1 1 42 42 TRP C C 139 175.349 175.349 175.346 0.003 17752 5187 1 9 . 1 1 42 42 TRP CA C 139 56.762 56.762 57.675 -0.913 17752 5188 1 9 . 1 1 42 42 TRP CB C 139 29.199 29.199 29.448 -0.249 17752 5189 1 9 . 1 1 42 42 TRP H H 139 7.787 7.787 7.349 0.438 17752 5190 1 9 . 1 1 43 43 PHE N N 140 119.509 119.509 121.492 -1.983 17752 5191 1 9 . 1 1 43 43 PHE HA H 140 4.675 4.675 4.822 -0.147 17752 5192 1 9 . 1 1 43 43 PHE C C 140 174.658 174.658 173.396 1.262 17752 5193 1 9 . 1 1 43 43 PHE CA C 140 57.106 57.106 57.332 -0.226 17752 5194 1 9 . 1 1 43 43 PHE CB C 140 40.150 40.150 39.721 0.429 17752 5195 1 9 . 1 1 43 43 PHE H H 140 7.871 7.871 7.635 0.236 17752 5196 1 9 . 1 1 44 44 THR N N 141 116.290 116.290 122.797 -6.507 17752 5197 1 9 . 1 1 44 44 THR HA H 141 4.323 4.323 4.107 0.216 17752 5198 1 9 . 1 1 44 44 THR C C 141 173.009 173.009 172.667 0.342 17752 5199 1 9 . 1 1 44 44 THR CA C 141 61.830 61.830 61.012 0.818 17752 5200 1 9 . 1 1 44 44 THR CB C 141 70.489 70.489 72.457 -1.968 17752 5201 1 9 . 1 1 44 44 THR H H 141 8.380 8.380 8.200 0.180 17752 5202 1 9 . 1 1 45 45 LEU N N 142 124.270 124.270 123.730 0.540 17752 5203 1 9 . 1 1 45 45 LEU HA H 142 4.519 4.519 4.730 -0.211 17752 5204 1 9 . 1 1 45 45 LEU C C 142 174.651 174.651 175.078 -0.427 17752 5205 1 9 . 1 1 45 45 LEU CA C 142 53.847 53.847 53.740 0.106 17752 5206 1 9 . 1 1 45 45 LEU CB C 142 44.418 44.418 42.810 1.608 17752 5207 1 9 . 1 1 45 45 LEU H H 142 7.972 7.972 8.023 -0.051 17752 5208 1 9 . 1 1 46 46 LEU N N 143 120.086 120.086 122.676 -2.590 17752 5209 1 9 . 1 1 46 46 LEU HA H 143 4.666 4.666 4.741 -0.075 17752 5210 1 9 . 1 1 46 46 LEU C C 143 176.553 176.553 176.969 -0.416 17752 5211 1 9 . 1 1 46 46 LEU CA C 143 52.236 52.236 52.849 -0.612 17752 5212 1 9 . 1 1 46 46 LEU CB C 143 44.725 44.725 42.689 2.036 17752 5213 1 9 . 1 1 46 46 LEU H H 143 8.330 8.330 7.908 0.422 17752 5214 1 9 . 1 1 47 47 TYR N N 144 115.644 115.644 121.048 -5.404 17752 5215 1 9 . 1 1 47 47 TYR HA H 144 5.650 5.650 4.805 0.845 17752 5216 1 9 . 1 1 47 47 TYR C C 144 175.013 175.013 174.321 0.692 17752 5217 1 9 . 1 1 47 47 TYR CA C 144 57.301 57.301 56.591 0.710 17752 5218 1 9 . 1 1 47 47 TYR CB C 144 43.200 43.200 41.394 1.806 17752 5219 1 9 . 1 1 47 47 TYR H H 144 8.674 8.674 8.842 -0.168 17752 5220 1 9 . 1 1 48 48 GLU N N 145 120.669 120.669 120.986 -0.317 17752 5221 1 9 . 1 1 48 48 GLU HA H 145 4.835 4.835 4.617 0.218 17752 5222 1 9 . 1 1 48 48 GLU C C 145 173.623 173.623 174.424 -0.801 17752 5223 1 9 . 1 1 48 48 GLU CA C 145 54.810 54.810 54.586 0.224 17752 5224 1 9 . 1 1 48 48 GLU CB C 145 35.923 35.923 34.490 1.433 17752 5225 1 9 . 1 1 48 48 GLU H H 145 8.186 8.186 8.869 -0.683 17752 5226 1 9 . 1 1 49 49 ILE N N 146 118.773 118.773 125.116 -6.343 17752 5227 1 9 . 1 1 49 49 ILE HA H 146 5.069 5.069 5.113 -0.044 17752 5228 1 9 . 1 1 49 49 ILE C C 146 174.840 174.840 174.285 0.555 17752 5229 1 9 . 1 1 49 49 ILE CA C 146 58.375 58.375 59.734 -1.359 17752 5230 1 9 . 1 1 49 49 ILE CB C 146 42.256 42.256 40.795 1.461 17752 5231 1 9 . 1 1 49 49 ILE H H 146 8.707 8.707 8.903 -0.196 17752 5232 1 9 . 1 1 50 50 ARG N N 147 120.594 120.594 127.554 -6.960 17752 5233 1 9 . 1 1 50 50 ARG HA H 147 5.882 5.882 5.170 0.712 17752 5234 1 9 . 1 1 50 50 ARG C C 147 172.997 172.997 174.444 -1.447 17752 5235 1 9 . 1 1 50 50 ARG CA C 147 53.454 53.454 54.291 -0.837 17752 5236 1 9 . 1 1 50 50 ARG CB C 147 34.273 34.273 31.137 3.136 17752 5237 1 9 . 1 1 50 50 ARG H H 147 8.922 8.922 8.685 0.237 17752 5238 1 9 . 1 1 51 51 LEU N N 148 119.958 119.958 122.374 -2.416 17752 5239 1 9 . 1 1 51 51 LEU HA H 148 6.200 6.200 6.039 0.161 17752 5240 1 9 . 1 1 51 51 LEU C C 148 175.544 175.544 174.769 0.775 17752 5241 1 9 . 1 1 51 51 LEU CA C 148 54.601 54.601 53.571 1.030 17752 5242 1 9 . 1 1 51 51 LEU CB C 148 46.908 46.908 46.643 0.265 17752 5243 1 9 . 1 1 51 51 LEU H H 148 9.242 9.242 9.274 -0.032 17752 5244 1 9 . 1 1 52 52 LYS N N 149 116.000 116.000 115.646 0.354 17752 5245 1 9 . 1 1 52 52 LYS HA H 149 4.945 4.945 4.766 0.179 17752 5246 1 9 . 1 1 52 52 LYS C C 149 172.459 172.459 173.417 -0.958 17752 5247 1 9 . 1 1 52 52 LYS CA C 149 54.828 54.828 54.222 0.606 17752 5248 1 9 . 1 1 52 52 LYS CB C 149 32.809 32.809 34.336 -1.527 17752 5249 1 9 . 1 1 52 52 LYS H H 149 8.399 8.399 8.441 -0.042 17752 5250 1 9 . 1 1 53 53 PRO HA H 150 4.103 4.103 4.296 -0.193 17752 5251 1 9 . 1 1 53 53 PRO C C 150 178.630 178.630 178.252 0.378 17752 5252 1 9 . 1 1 53 53 PRO CA C 150 61.651 61.651 61.657 -0.007 17752 5253 1 9 . 1 1 53 53 PRO CB C 150 31.521 31.521 32.128 -0.607 17752 5254 1 9 . 1 1 54 54 GLU N N 151 125.100 125.100 120.173 4.927 17752 5255 1 9 . 1 1 54 54 GLU HA H 151 3.580 3.580 3.842 -0.262 17752 5256 1 9 . 1 1 54 54 GLU C C 151 176.912 176.912 177.517 -0.605 17752 5257 1 9 . 1 1 54 54 GLU CA C 151 60.163 60.163 59.161 1.002 17752 5258 1 9 . 1 1 54 54 GLU CB C 151 30.024 30.024 28.870 1.154 17752 5259 1 9 . 1 1 54 54 GLU H H 151 8.865 8.865 8.403 0.462 17752 5260 1 9 . 1 1 55 55 LYS N N 152 113.857 113.857 118.371 -4.514 17752 5261 1 9 . 1 1 55 55 LYS HA H 152 4.150 4.150 4.214 -0.064 17752 5262 1 9 . 1 1 55 55 LYS C C 152 176.530 176.530 175.222 1.308 17752 5263 1 9 . 1 1 55 55 LYS CA C 152 56.088 56.088 55.443 0.645 17752 5264 1 9 . 1 1 55 55 LYS CB C 152 31.681 31.681 31.692 -0.011 17752 5265 1 9 . 1 1 55 55 LYS H H 152 8.356 8.356 8.133 0.223 17752 5266 1 9 . 1 1 56 56 ALA N N 153 121.720 121.720 121.501 0.219 17752 5267 1 9 . 1 1 56 56 ALA HA H 153 4.252 4.252 4.532 -0.280 17752 5268 1 9 . 1 1 56 56 ALA C C 153 177.098 177.098 176.565 0.533 17752 5269 1 9 . 1 1 56 56 ALA CA C 153 51.651 51.651 50.824 0.827 17752 5270 1 9 . 1 1 56 56 ALA CB C 153 20.289 20.289 20.532 -0.243 17752 5271 1 9 . 1 1 56 56 ALA H H 153 7.359 7.359 7.128 0.231 17752 5272 1 9 . 1 1 57 57 ALA HA H 154 4.171 4.171 4.206 -0.035 17752 5273 1 9 . 1 1 57 57 ALA C C 154 177.719 177.719 177.872 -0.153 17752 5274 1 9 . 1 1 57 57 ALA CA C 154 53.285 53.285 52.861 0.424 17752 5275 1 9 . 1 1 57 57 ALA CB C 154 19.767 19.767 19.079 0.688 17752 5276 1 9 . 1 1 58 58 GLU N N 155 115.658 115.658 118.197 -2.539 17752 5277 1 9 . 1 1 58 58 GLU HA H 155 4.556 4.556 4.373 0.183 17752 5278 1 9 . 1 1 58 58 GLU C C 155 174.857 174.857 174.886 -0.029 17752 5279 1 9 . 1 1 58 58 GLU CA C 155 54.771 54.771 55.231 -0.460 17752 5280 1 9 . 1 1 58 58 GLU CB C 155 32.247 32.247 30.708 1.539 17752 5281 1 9 . 1 1 58 58 GLU H H 155 7.527 7.527 7.895 -0.368 17752 5282 1 9 . 1 1 59 59 TRP N N 156 121.007 121.007 121.081 -0.074 17752 5283 1 9 . 1 1 59 59 TRP HA H 156 4.334 4.334 4.615 -0.281 17752 5284 1 9 . 1 1 59 59 TRP C C 156 176.227 176.227 176.442 -0.215 17752 5285 1 9 . 1 1 59 59 TRP CA C 156 56.986 56.986 56.941 0.044 17752 5286 1 9 . 1 1 59 59 TRP CB C 156 31.064 31.064 30.794 0.270 17752 5287 1 9 . 1 1 59 59 TRP H H 156 8.499 8.499 8.408 0.091 17752 5288 1 9 . 1 1 60 60 GLU N N 157 123.107 123.107 123.211 -0.104 17752 5289 1 9 . 1 1 60 60 GLU HA H 157 4.689 4.689 4.657 0.032 17752 5290 1 9 . 1 1 60 60 GLU C C 157 174.904 174.904 175.737 -0.833 17752 5291 1 9 . 1 1 60 60 GLU CA C 157 55.797 55.797 55.683 0.114 17752 5292 1 9 . 1 1 60 60 GLU CB C 157 31.671 31.671 31.637 0.035 17752 5293 1 9 . 1 1 60 60 GLU H H 157 8.930 8.930 9.283 -0.353 17752 5294 1 9 . 1 1 61 61 ILE N N 158 124.822 124.822 126.282 -1.460 17752 5295 1 9 . 1 1 61 61 ILE HA H 158 4.972 4.972 4.491 0.481 17752 5296 1 9 . 1 1 61 61 ILE C C 158 175.938 175.938 175.760 0.178 17752 5297 1 9 . 1 1 61 61 ILE CA C 158 60.029 60.029 60.731 -0.702 17752 5298 1 9 . 1 1 61 61 ILE CB C 158 39.652 39.652 38.657 0.995 17752 5299 1 9 . 1 1 61 61 ILE H H 158 8.371 8.371 8.849 -0.478 17752 5300 1 9 . 1 1 62 62 HIS N N 159 125.647 125.647 127.652 -2.005 17752 5301 1 9 . 1 1 62 62 HIS HA H 159 4.750 4.750 4.935 -0.185 17752 5302 1 9 . 1 1 62 62 HIS C C 159 173.704 173.704 173.741 -0.037 17752 5303 1 9 . 1 1 62 62 HIS CA C 159 54.910 54.910 54.207 0.703 17752 5304 1 9 . 1 1 62 62 HIS CB C 159 34.940 34.940 31.798 3.142 17752 5305 1 9 . 1 1 62 62 HIS H H 159 9.326 9.326 9.463 -0.137 17752 5306 1 9 . 1 1 63 63 PHE N N 160 124.930 124.930 126.813 -1.883 17752 5307 1 9 . 1 1 63 63 PHE HA H 160 4.897 4.897 4.357 0.540 17752 5308 1 9 . 1 1 63 63 PHE C C 160 174.606 174.606 175.157 -0.551 17752 5309 1 9 . 1 1 63 63 PHE CA C 160 58.097 58.097 58.823 -0.726 17752 5310 1 9 . 1 1 63 63 PHE CB C 160 39.192 39.192 39.634 -0.442 17752 5311 1 9 . 1 1 63 63 PHE H H 160 9.207 9.207 9.128 0.079 17752 5312 1 9 . 1 1 64 64 ALA N N 161 130.696 130.696 130.495 0.201 17752 5313 1 9 . 1 1 64 64 ALA HA H 161 4.645 4.645 4.152 0.493 17752 5314 1 9 . 1 1 64 64 ALA C C 161 177.327 177.327 177.201 0.126 17752 5315 1 9 . 1 1 64 64 ALA CA C 161 51.333 51.333 52.739 -1.406 17752 5316 1 9 . 1 1 64 64 ALA CB C 161 19.696 19.696 20.044 -0.348 17752 5317 1 9 . 1 1 64 64 ALA H H 161 8.371 8.371 8.201 0.170 17752 5318 1 9 . 1 1 65 65 GLY N N 162 105.725 105.725 107.320 -1.595 17752 5319 1 9 . 1 1 65 65 GLY C C 162 173.920 173.920 173.332 0.588 17752 5320 1 9 . 1 1 65 65 GLY CA C 162 47.245 47.245 45.183 2.062 17752 5321 1 9 . 1 1 65 65 GLY H H 162 6.059 6.059 7.355 -1.296 17752 5322 1 9 . 1 1 66 66 GLN N N 163 122.418 122.418 124.847 -2.429 17752 5323 1 9 . 1 1 66 66 GLN HA H 163 5.120 5.120 4.635 0.485 17752 5324 1 9 . 1 1 66 66 GLN C C 163 176.832 176.832 174.867 1.965 17752 5325 1 9 . 1 1 66 66 GLN CA C 163 55.887 55.887 55.048 0.839 17752 5326 1 9 . 1 1 66 66 GLN CB C 163 30.063 30.063 27.701 2.362 17752 5327 1 9 . 1 1 66 66 GLN H H 163 9.029 9.029 8.605 0.424 17752 5328 1 9 . 1 1 67 67 GLN N N 164 119.220 119.220 120.561 -1.341 17752 5329 1 9 . 1 1 67 67 GLN HA H 164 4.373 4.373 4.594 -0.221 17752 5330 1 9 . 1 1 67 67 GLN C C 164 173.020 173.020 174.160 -1.140 17752 5331 1 9 . 1 1 67 67 GLN CA C 164 56.025 56.025 54.973 1.052 17752 5332 1 9 . 1 1 67 67 GLN CB C 164 30.868 30.868 31.160 -0.292 17752 5333 1 9 . 1 1 67 67 GLN H H 164 7.746 7.746 7.859 -0.113 17752 5334 1 9 . 1 1 68 68 THR N N 165 104.368 104.368 108.005 -3.637 17752 5335 1 9 . 1 1 68 68 THR HA H 165 3.264 3.264 3.684 -0.420 17752 5336 1 9 . 1 1 68 68 THR C C 165 171.726 171.726 172.384 -0.658 17752 5337 1 9 . 1 1 68 68 THR CA C 165 58.963 58.963 61.088 -2.125 17752 5338 1 9 . 1 1 68 68 THR CB C 165 66.777 66.777 68.793 -2.016 17752 5339 1 9 . 1 1 68 68 THR H H 165 7.716 7.716 8.279 -0.563 17752 5340 1 9 . 1 1 69 69 GLU N N 166 113.260 113.260 119.256 -5.996 17752 5341 1 9 . 1 1 69 69 GLU HA H 166 4.597 4.597 4.698 -0.101 17752 5342 1 9 . 1 1 69 69 GLU C C 166 174.977 174.977 174.171 0.806 17752 5343 1 9 . 1 1 69 69 GLU CA C 166 53.742 53.742 54.169 -0.427 17752 5344 1 9 . 1 1 69 69 GLU CB C 166 33.177 33.177 31.332 1.845 17752 5345 1 9 . 1 1 69 69 GLU H H 166 6.562 6.562 7.476 -0.914 17752 5346 1 9 . 1 1 70 70 PHE N N 167 122.043 122.043 125.812 -3.769 17752 5347 1 9 . 1 1 70 70 PHE HA H 167 4.545 4.545 4.928 -0.383 17752 5348 1 9 . 1 1 70 70 PHE C C 167 172.620 172.620 173.647 -1.027 17752 5349 1 9 . 1 1 70 70 PHE CA C 167 58.957 58.957 56.648 2.309 17752 5350 1 9 . 1 1 70 70 PHE CB C 167 45.667 45.667 43.018 2.649 17752 5351 1 9 . 1 1 70 70 PHE H H 167 9.385 9.385 9.004 0.381 17752 5352 1 9 . 1 1 71 71 LYS N N 168 122.342 122.342 123.737 -1.395 17752 5353 1 9 . 1 1 71 71 LYS HA H 168 5.667 5.667 5.522 0.145 17752 5354 1 9 . 1 1 71 71 LYS C C 168 174.656 174.656 175.234 -0.578 17752 5355 1 9 . 1 1 71 71 LYS CA C 168 54.701 54.701 54.198 0.503 17752 5356 1 9 . 1 1 71 71 LYS CB C 168 35.338 35.338 35.182 0.156 17752 5357 1 9 . 1 1 71 71 LYS H H 168 7.129 7.129 7.484 -0.355 17752 5358 1 9 . 1 1 72 72 ILE N N 169 122.191 122.191 123.259 -1.068 17752 5359 1 9 . 1 1 72 72 ILE HA H 169 4.334 4.334 4.232 0.102 17752 5360 1 9 . 1 1 72 72 ILE C C 169 175.258 175.258 174.875 0.383 17752 5361 1 9 . 1 1 72 72 ILE CA C 169 59.091 59.091 58.868 0.223 17752 5362 1 9 . 1 1 72 72 ILE CB C 169 39.295 39.295 39.293 0.002 17752 5363 1 9 . 1 1 72 72 ILE H H 169 8.978 8.978 8.897 0.081 17752 5364 1 9 . 1 1 73 73 LEU N N 170 126.298 126.298 126.375 -0.077 17752 5365 1 9 . 1 1 73 73 LEU HA H 170 4.647 4.647 4.588 0.059 17752 5366 1 9 . 1 1 73 73 LEU C C 170 176.979 176.979 177.779 -0.800 17752 5367 1 9 . 1 1 73 73 LEU CA C 170 56.171 56.171 55.556 0.615 17752 5368 1 9 . 1 1 73 73 LEU CB C 170 43.187 43.187 42.768 0.419 17752 5369 1 9 . 1 1 73 73 LEU H H 170 8.647 8.647 8.568 0.079 17752 5370 1 9 . 1 1 74 74 SER N N 171 112.997 112.997 116.412 -3.415 17752 5371 1 9 . 1 1 74 74 SER HA H 171 4.792 4.792 4.486 0.306 17752 5372 1 9 . 1 1 74 74 SER C C 171 172.975 172.975 173.591 -0.616 17752 5373 1 9 . 1 1 74 74 SER CA C 171 57.259 57.259 58.785 -1.526 17752 5374 1 9 . 1 1 74 74 SER CB C 171 62.829 62.829 62.160 0.669 17752 5375 1 9 . 1 1 74 74 SER H H 171 7.438 7.438 8.084 -0.646 17752 5376 1 9 . 1 1 75 75 LEU N N 172 124.862 124.862 124.269 0.593 17752 5377 1 9 . 1 1 75 75 LEU HA H 172 4.454 4.454 4.426 0.028 17752 5378 1 9 . 1 1 75 75 LEU C C 172 175.166 175.166 176.168 -1.002 17752 5379 1 9 . 1 1 75 75 LEU CA C 172 53.276 53.276 53.708 -0.432 17752 5380 1 9 . 1 1 75 75 LEU CB C 172 45.925 45.925 44.730 1.195 17752 5381 1 9 . 1 1 75 75 LEU H H 172 7.932 7.932 7.834 0.098 17752 5382 1 9 . 1 1 76 76 HIS N N 173 120.512 120.512 121.382 -0.870 17752 5383 1 9 . 1 1 76 76 HIS HA H 173 5.027 5.027 4.856 0.171 17752 5384 1 9 . 1 1 76 76 HIS C C 173 173.227 173.227 173.064 0.163 17752 5385 1 9 . 1 1 76 76 HIS CA C 173 53.512 53.512 53.192 0.320 17752 5386 1 9 . 1 1 76 76 HIS CB C 173 30.896 30.896 31.566 -0.670 17752 5387 1 9 . 1 1 76 76 HIS H H 173 8.350 8.350 8.800 -0.450 17752 5388 1 9 . 1 1 77 77 PRO HA H 174 4.194 4.194 4.139 0.055 17752 5389 1 9 . 1 1 77 77 PRO C C 174 178.280 178.280 177.401 0.879 17752 5390 1 9 . 1 1 77 77 PRO CA C 174 63.005 63.005 64.016 -1.010 17752 5391 1 9 . 1 1 77 77 PRO CB C 174 32.946 32.946 31.602 1.345 17752 5392 1 9 . 1 1 78 78 GLY N N 175 109.449 109.449 113.306 -3.857 17752 5393 1 9 . 1 1 78 78 GLY C C 175 173.983 173.983 173.898 0.085 17752 5394 1 9 . 1 1 78 78 GLY CA C 175 46.309 46.309 44.819 1.490 17752 5395 1 9 . 1 1 78 78 GLY H H 175 7.323 7.323 8.877 -1.554 17752 5396 1 9 . 1 1 79 79 GLN N N 176 116.806 116.806 119.058 -2.252 17752 5397 1 9 . 1 1 79 79 GLN HA H 176 4.564 4.564 4.625 -0.061 17752 5398 1 9 . 1 1 79 79 GLN C C 176 174.210 174.210 174.553 -0.343 17752 5399 1 9 . 1 1 79 79 GLN CA C 176 54.321 54.321 54.325 -0.004 17752 5400 1 9 . 1 1 79 79 GLN CB C 176 30.805 30.805 32.254 -1.449 17752 5401 1 9 . 1 1 79 79 GLN H H 176 7.122 7.122 7.680 -0.558 17752 5402 1 9 . 1 1 80 80 LYS N N 177 123.628 123.628 123.280 0.348 17752 5403 1 9 . 1 1 80 80 LYS HA H 177 4.989 4.989 4.746 0.243 17752 5404 1 9 . 1 1 80 80 LYS C C 177 175.461 175.461 175.072 0.389 17752 5405 1 9 . 1 1 80 80 LYS CA C 177 55.580 55.580 55.998 -0.418 17752 5406 1 9 . 1 1 80 80 LYS CB C 177 33.369 33.369 34.255 -0.886 17752 5407 1 9 . 1 1 80 80 LYS H H 177 8.679 8.679 8.813 -0.134 17752 5408 1 9 . 1 1 81 81 TYR N N 178 126.820 126.820 123.960 2.860 17752 5409 1 9 . 1 1 81 81 TYR HA H 178 5.084 5.084 4.933 0.151 17752 5410 1 9 . 1 1 81 81 TYR C C 178 174.883 174.883 174.588 0.295 17752 5411 1 9 . 1 1 81 81 TYR CA C 178 57.082 57.082 56.705 0.377 17752 5412 1 9 . 1 1 81 81 TYR CB C 178 41.952 41.952 42.104 -0.152 17752 5413 1 9 . 1 1 81 81 TYR H H 178 9.407 9.407 9.393 0.014 17752 5414 1 9 . 1 1 82 82 LEU N N 179 119.285 119.285 123.373 -4.088 17752 5415 1 9 . 1 1 82 82 LEU HA H 179 4.993 4.993 5.085 -0.092 17752 5416 1 9 . 1 1 82 82 LEU C C 179 176.372 176.372 176.209 0.163 17752 5417 1 9 . 1 1 82 82 LEU CA C 179 54.686 54.686 53.015 1.671 17752 5418 1 9 . 1 1 82 82 LEU CB C 179 45.287 45.287 42.217 3.070 17752 5419 1 9 . 1 1 82 82 LEU H H 179 8.457 8.457 8.961 -0.504 17752 5420 1 9 . 1 1 83 83 VAL N N 180 119.136 119.136 119.019 0.117 17752 5421 1 9 . 1 1 83 83 VAL HA H 180 5.167 5.167 5.082 0.085 17752 5422 1 9 . 1 1 83 83 VAL C C 180 175.007 175.007 174.557 0.450 17752 5423 1 9 . 1 1 83 83 VAL CA C 180 60.829 60.829 59.507 1.322 17752 5424 1 9 . 1 1 83 83 VAL CB C 180 35.132 35.132 35.338 -0.206 17752 5425 1 9 . 1 1 83 83 VAL H H 180 8.442 8.442 8.916 -0.474 17752 5426 1 9 . 1 1 84 84 GLN N N 181 121.769 121.769 123.141 -1.372 17752 5427 1 9 . 1 1 84 84 GLN HA H 181 4.365 4.365 5.065 -0.700 17752 5428 1 9 . 1 1 84 84 GLN C C 181 172.935 172.935 173.885 -0.950 17752 5429 1 9 . 1 1 84 84 GLN CA C 181 55.052 55.052 54.325 0.727 17752 5430 1 9 . 1 1 84 84 GLN CB C 181 36.079 36.079 33.537 2.542 17752 5431 1 9 . 1 1 84 84 GLN H H 181 8.986 8.986 8.608 0.378 17752 5432 1 9 . 1 1 85 85 VAL N N 182 116.946 116.946 121.212 -4.266 17752 5433 1 9 . 1 1 85 85 VAL HA H 182 5.444 5.444 5.048 0.396 17752 5434 1 9 . 1 1 85 85 VAL C C 182 172.842 172.842 174.182 -1.340 17752 5435 1 9 . 1 1 85 85 VAL CA C 182 59.501 59.501 59.693 -0.192 17752 5436 1 9 . 1 1 85 85 VAL CB C 182 35.973 35.973 33.709 2.264 17752 5437 1 9 . 1 1 85 85 VAL H H 182 8.425 8.425 8.595 -0.169 17752 5438 1 9 . 1 1 86 86 ARG N N 183 122.701 122.701 125.638 -2.937 17752 5439 1 9 . 1 1 86 86 ARG HA H 183 4.586 4.586 4.319 0.267 17752 5440 1 9 . 1 1 86 86 ARG C C 183 173.613 173.613 173.190 0.423 17752 5441 1 9 . 1 1 86 86 ARG CA C 183 54.760 54.760 52.615 2.145 17752 5442 1 9 . 1 1 86 86 ARG CB C 183 33.484 33.484 33.717 -0.233 17752 5443 1 9 . 1 1 86 86 ARG H H 183 8.853 8.853 8.665 0.188 17752 5444 1 9 . 1 1 87 87 CYS N N 184 113.995 113.995 119.133 -5.138 17752 5445 1 9 . 1 1 87 87 CYS HA H 184 6.281 6.281 5.212 1.069 17752 5446 1 9 . 1 1 87 87 CYS C C 184 172.060 172.060 173.245 -1.185 17752 5447 1 9 . 1 1 87 87 CYS CA C 184 54.763 54.763 56.509 -1.746 17752 5448 1 9 . 1 1 87 87 CYS CB C 184 34.453 34.453 30.847 3.606 17752 5449 1 9 . 1 1 87 87 CYS H H 184 8.869 8.869 8.330 0.539 17752 5450 1 9 . 1 1 88 88 LYS N N 185 119.231 119.231 125.701 -6.470 17752 5451 1 9 . 1 1 88 88 LYS HA H 185 4.650 4.650 4.957 -0.307 17752 5452 1 9 . 1 1 88 88 LYS C C 185 172.274 172.274 174.137 -1.863 17752 5453 1 9 . 1 1 88 88 LYS CA C 185 53.192 53.192 53.403 -0.211 17752 5454 1 9 . 1 1 88 88 LYS CB C 185 33.530 33.530 32.883 0.647 17752 5455 1 9 . 1 1 88 88 LYS H H 185 8.680 8.680 8.212 0.468 17752 5456 1 9 . 1 1 89 89 PRO HA H 186 4.874 4.874 4.372 0.502 17752 5457 1 9 . 1 1 89 89 PRO C C 186 177.163 177.163 177.379 -0.216 17752 5458 1 9 . 1 1 89 89 PRO CA C 186 60.867 60.867 62.836 -1.969 17752 5459 1 9 . 1 1 89 89 PRO CB C 186 31.041 31.041 32.644 -1.603 17752 5460 1 9 . 1 1 90 90 ASP N N 187 121.615 121.615 119.074 2.541 17752 5461 1 9 . 1 1 90 90 ASP HA H 187 4.571 4.571 4.310 0.261 17752 5462 1 9 . 1 1 90 90 ASP C C 187 176.587 176.587 176.432 0.155 17752 5463 1 9 . 1 1 90 90 ASP CA C 187 56.898 56.898 56.509 0.389 17752 5464 1 9 . 1 1 90 90 ASP CB C 187 40.161 40.161 41.043 -0.882 17752 5465 1 9 . 1 1 90 90 ASP H H 187 8.377 8.377 8.800 -0.423 17752 5466 1 9 . 1 1 91 91 HIS N N 188 115.767 115.767 117.103 -1.336 17752 5467 1 9 . 1 1 91 91 HIS HA H 188 4.487 4.487 4.778 -0.291 17752 5468 1 9 . 1 1 91 91 HIS C C 188 174.877 174.877 174.314 0.563 17752 5469 1 9 . 1 1 91 91 HIS CA C 188 56.060 56.060 55.875 0.185 17752 5470 1 9 . 1 1 91 91 HIS CB C 188 29.064 29.064 29.247 -0.183 17752 5471 1 9 . 1 1 91 91 HIS H H 188 8.020 8.020 8.336 -0.316 17752 5472 1 9 . 1 1 92 92 GLY N N 189 108.492 108.492 106.475 2.017 17752 5473 1 9 . 1 1 92 92 GLY C C 189 171.977 171.977 171.605 0.372 17752 5474 1 9 . 1 1 92 92 GLY CA C 189 44.356 44.356 45.111 -0.755 17752 5475 1 9 . 1 1 92 92 GLY H H 189 7.648 7.648 7.655 -0.007 17752 5476 1 9 . 1 1 93 93 TYR N N 190 120.823 120.823 115.548 5.275 17752 5477 1 9 . 1 1 93 93 TYR HA H 190 4.589 4.589 4.743 -0.154 17752 5478 1 9 . 1 1 93 93 TYR C C 190 174.685 174.685 173.170 1.515 17752 5479 1 9 . 1 1 93 93 TYR CA C 190 55.924 55.924 56.621 -0.697 17752 5480 1 9 . 1 1 93 93 TYR CB C 190 40.462 40.462 40.368 0.094 17752 5481 1 9 . 1 1 93 93 TYR H H 190 8.265 8.265 7.845 0.420 17752 5482 1 9 . 1 1 94 94 TRP N N 191 117.501 117.501 120.445 -2.944 17752 5483 1 9 . 1 1 94 94 TRP HA H 191 4.399 4.399 4.907 -0.508 17752 5484 1 9 . 1 1 94 94 TRP C C 191 178.522 178.522 175.258 3.264 17752 5485 1 9 . 1 1 94 94 TRP CA C 191 57.620 57.620 56.106 1.514 17752 5486 1 9 . 1 1 94 94 TRP CB C 191 30.530 30.530 30.727 -0.197 17752 5487 1 9 . 1 1 94 94 TRP H H 191 7.637 7.637 7.699 -0.062 17752 5488 1 9 . 1 1 95 95 SER N N 192 117.327 117.327 116.642 0.685 17752 5489 1 9 . 1 1 95 95 SER HA H 192 4.314 4.314 4.473 -0.159 17752 5490 1 9 . 1 1 95 95 SER C C 192 173.924 173.924 173.757 0.167 17752 5491 1 9 . 1 1 95 95 SER CA C 192 57.840 57.840 58.456 -0.616 17752 5492 1 9 . 1 1 95 95 SER CB C 192 67.312 67.312 64.181 3.131 17752 5493 1 9 . 1 1 95 95 SER H H 192 9.755 9.755 8.546 1.209 17752 5494 1 9 . 1 1 96 96 ALA N N 193 120.747 120.747 123.971 -3.224 17752 5495 1 9 . 1 1 96 96 ALA HA H 193 4.134 4.134 4.778 -0.644 17752 5496 1 9 . 1 1 96 96 ALA C C 193 178.311 178.311 174.539 3.772 17752 5497 1 9 . 1 1 96 96 ALA CA C 193 52.387 52.387 51.736 0.651 17752 5498 1 9 . 1 1 96 96 ALA CB C 193 18.821 18.821 20.355 -1.534 17752 5499 1 9 . 1 1 96 96 ALA H H 193 8.824 8.824 7.583 1.241 17752 5500 1 9 . 1 1 97 97 TRP N N 194 120.634 120.634 119.315 1.319 17752 5501 1 9 . 1 1 97 97 TRP HA H 194 4.314 4.314 4.823 -0.509 17752 5502 1 9 . 1 1 97 97 TRP C C 194 177.944 177.944 175.829 2.115 17752 5503 1 9 . 1 1 97 97 TRP CA C 194 57.825 57.825 57.159 0.666 17752 5504 1 9 . 1 1 97 97 TRP CB C 194 29.702 29.702 31.137 -1.435 17752 5505 1 9 . 1 1 97 97 TRP H H 194 8.118 8.118 8.468 -0.350 17752 5506 1 9 . 1 1 98 98 SER N N 195 118.649 118.649 114.042 4.607 17752 5507 1 9 . 1 1 98 98 SER HA H 195 4.372 4.372 4.628 -0.256 17752 5508 1 9 . 1 1 98 98 SER C C 195 170.132 170.132 172.650 -2.518 17752 5509 1 9 . 1 1 98 98 SER CA C 195 57.851 57.851 59.026 -1.175 17752 5510 1 9 . 1 1 98 98 SER CB C 195 62.213 62.213 62.694 -0.481 17752 5511 1 9 . 1 1 98 98 SER H H 195 9.327 9.327 8.602 0.725 17752 5512 1 9 . 1 1 99 99 PRO HA H 196 4.585 4.585 4.522 0.063 17752 5513 1 9 . 1 1 99 99 PRO C C 196 178.242 178.242 175.183 3.059 17752 5514 1 9 . 1 1 99 99 PRO CA C 196 63.403 63.403 62.586 0.817 17752 5515 1 9 . 1 1 99 99 PRO CB C 196 31.405 31.405 30.438 0.967 17752 5516 1 9 . 1 1 100 100 ALA N N 197 127.219 127.219 128.005 -0.786 17752 5517 1 9 . 1 1 100 100 ALA HA H 197 4.680 4.680 4.488 0.192 17752 5518 1 9 . 1 1 100 100 ALA C C 197 178.043 178.043 177.059 0.984 17752 5519 1 9 . 1 1 100 100 ALA CA C 197 52.309 52.309 51.290 1.019 17752 5520 1 9 . 1 1 100 100 ALA CB C 197 18.973 18.973 19.270 -0.297 17752 5521 1 9 . 1 1 100 100 ALA H H 197 9.001 9.001 8.009 0.992 17752 5522 1 9 . 1 1 101 101 THR N N 198 118.178 118.178 120.801 -2.623 17752 5523 1 9 . 1 1 101 101 THR HA H 198 4.598 4.598 4.677 -0.079 17752 5524 1 9 . 1 1 101 101 THR C C 198 172.242 172.242 173.428 -1.186 17752 5525 1 9 . 1 1 101 101 THR CA C 198 61.440 61.440 61.830 -0.390 17752 5526 1 9 . 1 1 101 101 THR CB C 198 70.945 70.945 70.286 0.659 17752 5527 1 9 . 1 1 101 101 THR H H 198 8.617 8.617 8.868 -0.251 17752 5528 1 9 . 1 1 102 102 PHE N N 199 123.141 123.141 124.708 -1.567 17752 5529 1 9 . 1 1 102 102 PHE HA H 199 5.867 5.867 4.899 0.968 17752 5530 1 9 . 1 1 102 102 PHE C C 199 175.273 175.273 175.682 -0.409 17752 5531 1 9 . 1 1 102 102 PHE CA C 199 55.877 55.877 57.770 -1.893 17752 5532 1 9 . 1 1 102 102 PHE CB C 199 42.052 42.052 40.516 1.536 17752 5533 1 9 . 1 1 102 102 PHE H H 199 8.419 8.419 8.880 -0.461 17752 5534 1 9 . 1 1 103 103 ILE N N 200 118.251 118.251 123.179 -4.928 17752 5535 1 9 . 1 1 103 103 ILE HA H 200 4.674 4.674 4.619 0.055 17752 5536 1 9 . 1 1 103 103 ILE C C 200 171.732 171.732 173.382 -1.650 17752 5537 1 9 . 1 1 103 103 ILE CA C 200 58.046 58.046 59.613 -1.567 17752 5538 1 9 . 1 1 103 103 ILE CB C 200 41.631 41.631 42.784 -1.153 17752 5539 1 9 . 1 1 103 103 ILE H H 200 8.940 8.940 8.696 0.244 17752 5540 1 9 . 1 1 104 104 GLN N N 201 127.961 127.961 125.640 2.321 17752 5541 1 9 . 1 1 104 104 GLN HA H 201 4.592 4.592 5.011 -0.419 17752 5542 1 9 . 1 1 104 104 GLN C C 201 174.363 174.363 174.684 -0.321 17752 5543 1 9 . 1 1 104 104 GLN CA C 201 54.484 54.484 54.580 -0.096 17752 5544 1 9 . 1 1 104 104 GLN CB C 201 29.320 29.320 32.127 -2.807 17752 5545 1 9 . 1 1 104 104 GLN H H 201 8.641 8.641 8.535 0.106 17752 5546 1 9 . 1 1 105 105 ILE N N 202 129.177 129.177 123.755 5.422 17752 5547 1 9 . 1 1 105 105 ILE HA H 202 4.406 4.406 4.634 -0.228 17752 5548 1 9 . 1 1 105 105 ILE C C 202 175.609 175.609 174.388 1.221 17752 5549 1 9 . 1 1 105 105 ILE CA C 202 56.023 56.023 56.723 -0.700 17752 5550 1 9 . 1 1 105 105 ILE CB C 202 35.689 35.689 37.818 -2.129 17752 5551 1 9 . 1 1 105 105 ILE H H 202 8.676 8.676 8.770 -0.094 17752 5552 1 9 . 1 1 106 106 PRO HA H 203 4.578 4.578 4.732 -0.154 17752 5553 1 9 . 1 1 106 106 PRO CB C 203 33.030 33.030 32.803 0.226 17752 5554 1 9 . 1 1 107 107 SER N N 204 115.204 115.204 114.715 0.489 17752 5555 1 9 . 1 1 107 107 SER HA H 204 4.108 4.108 4.287 -0.179 17752 5556 1 9 . 1 1 107 107 SER C C 204 173.757 173.757 174.895 -1.138 17752 5557 1 9 . 1 1 107 107 SER CA C 204 60.355 60.355 60.706 -0.352 17752 5558 1 9 . 1 1 107 107 SER CB C 204 63.094 63.094 62.944 0.150 17752 5559 1 9 . 1 1 107 107 SER H H 204 7.914 7.914 8.714 -0.800 17752 5560 1 9 . 1 1 108 108 ASP N N 205 118.737 118.737 118.887 -0.150 17752 5561 1 9 . 1 1 108 108 ASP HA H 205 4.659 4.659 4.576 0.083 17752 5562 1 9 . 1 1 108 108 ASP C C 205 175.704 175.704 175.693 0.011 17752 5563 1 9 . 1 1 108 108 ASP CA C 205 53.229 53.229 53.585 -0.356 17752 5564 1 9 . 1 1 108 108 ASP CB C 205 40.152 40.152 39.105 1.046 17752 5565 1 9 . 1 1 108 108 ASP H H 205 8.244 8.244 8.519 -0.275 17752 5566 1 9 . 1 1 109 109 PHE N N 206 120.285 120.285 120.552 -0.267 17752 5567 1 9 . 1 1 109 109 PHE HA H 206 4.411 4.411 4.239 0.172 17752 5568 1 9 . 1 1 109 109 PHE C C 206 174.781 174.781 175.312 -0.531 17752 5569 1 9 . 1 1 109 109 PHE CA C 206 58.706 58.706 60.261 -1.555 17752 5570 1 9 . 1 1 109 109 PHE CB C 206 40.075 40.075 39.181 0.894 17752 5571 1 9 . 1 1 109 109 PHE H H 206 7.595 7.595 7.449 0.146 17752 5572 1 9 . 1 1 110 110 THR N N 207 115.253 115.253 114.581 0.672 17752 5573 1 9 . 1 1 110 110 THR HA H 207 4.294 4.294 4.129 0.165 17752 5574 1 9 . 1 1 110 110 THR C C 207 173.714 173.714 175.004 -1.290 17752 5575 1 9 . 1 1 110 110 THR CA C 207 61.742 61.742 62.435 -0.693 17752 5576 1 9 . 1 1 110 110 THR CB C 207 70.070 70.070 70.164 -0.094 17752 5577 1 9 . 1 1 110 110 THR H H 207 7.812 7.812 7.917 -0.105 17752 5578 1 9 . 1 1 111 111 MET N N 208 122.575 122.575 123.824 -1.249 17752 5579 1 9 . 1 1 111 111 MET HA H 208 4.555 4.555 4.452 0.103 17752 5580 1 9 . 1 1 111 111 MET C C 208 175.656 175.656 175.688 -0.032 17752 5581 1 9 . 1 1 111 111 MET CA C 208 55.451 55.451 54.730 0.721 17752 5582 1 9 . 1 1 111 111 MET CB C 208 33.175 33.175 32.141 1.034 17752 5583 1 9 . 1 1 111 111 MET H H 208 8.391 8.391 8.205 0.186 17752 5584 1 9 . 1 1 112 112 ASN N N 209 120.351 120.351 120.383 -0.032 17752 5585 1 9 . 1 1 112 112 ASN HA H 209 4.785 4.785 4.620 0.165 17752 5586 1 9 . 1 1 112 112 ASN C C 209 173.846 173.846 174.615 -0.769 17752 5587 1 9 . 1 1 112 112 ASN CA C 209 53.341 53.341 53.842 -0.501 17752 5588 1 9 . 1 1 112 112 ASN CB C 209 39.600 39.600 38.998 0.602 17752 5589 1 9 . 1 1 112 112 ASN H H 209 8.442 8.442 7.580 0.862 17752 5590 1 10 . 1 1 2 2 TYR HA H 99 4.624 4.624 4.658 -0.034 17752 5591 1 10 . 1 1 2 2 TYR C C 99 174.994 174.994 175.138 -0.144 17752 5592 1 10 . 1 1 2 2 TYR CA C 99 57.524 57.524 57.716 -0.192 17752 5593 1 10 . 1 1 2 2 TYR CB C 99 38.543 38.543 39.466 -0.923 17752 5594 1 10 . 1 1 3 3 ILE N N 100 124.242 124.242 128.207 -3.965 17752 5595 1 10 . 1 1 3 3 ILE HA H 100 4.058 4.058 3.808 0.250 17752 5596 1 10 . 1 1 3 3 ILE C C 100 174.994 174.994 174.931 0.063 17752 5597 1 10 . 1 1 3 3 ILE CA C 100 60.621 60.621 61.131 -0.510 17752 5598 1 10 . 1 1 3 3 ILE CB C 100 38.685 38.685 36.671 2.014 17752 5599 1 10 . 1 1 3 3 ILE H H 100 8.034 8.034 7.930 0.104 17752 5600 1 10 . 1 1 4 4 VAL N N 101 123.770 123.770 123.931 -0.161 17752 5601 1 10 . 1 1 4 4 VAL HA H 101 4.024 4.024 4.288 -0.264 17752 5602 1 10 . 1 1 4 4 VAL C C 101 174.457 174.457 174.737 -0.280 17752 5603 1 10 . 1 1 4 4 VAL CA C 101 62.142 62.142 59.735 2.407 17752 5604 1 10 . 1 1 4 4 VAL CB C 101 32.961 32.961 34.486 -1.526 17752 5605 1 10 . 1 1 4 4 VAL H H 101 7.858 7.858 7.573 0.285 17752 5606 1 10 . 1 1 5 5 GLN N N 102 124.937 124.937 122.244 2.693 17752 5607 1 10 . 1 1 5 5 GLN HA H 102 4.859 4.859 4.653 0.206 17752 5608 1 10 . 1 1 5 5 GLN C C 102 173.189 173.189 174.236 -1.047 17752 5609 1 10 . 1 1 5 5 GLN CA C 102 52.458 52.458 53.237 -0.779 17752 5610 1 10 . 1 1 5 5 GLN CB C 102 30.185 30.185 27.730 2.455 17752 5611 1 10 . 1 1 5 5 GLN H H 102 8.269 8.269 8.511 -0.242 17752 5612 1 10 . 1 1 6 6 PRO HA H 103 4.533 4.533 4.408 0.125 17752 5613 1 10 . 1 1 6 6 PRO C C 103 175.646 175.646 176.055 -0.409 17752 5614 1 10 . 1 1 6 6 PRO CA C 103 62.290 62.290 64.005 -1.715 17752 5615 1 10 . 1 1 6 6 PRO CB C 103 31.983 31.983 32.233 -0.251 17752 5616 1 10 . 1 1 7 7 ASP N N 104 120.340 120.340 119.159 1.181 17752 5617 1 10 . 1 1 7 7 ASP HA H 104 4.851 4.851 5.050 -0.199 17752 5618 1 10 . 1 1 7 7 ASP C C 104 171.565 171.565 173.885 -2.320 17752 5619 1 10 . 1 1 7 7 ASP CA C 104 53.742 53.742 52.171 1.571 17752 5620 1 10 . 1 1 7 7 ASP CB C 104 40.258 40.258 42.122 -1.864 17752 5621 1 10 . 1 1 7 7 ASP H H 104 7.897 7.897 8.364 -0.467 17752 5622 1 10 . 1 1 9 9 PRO HA H 106 4.332 4.332 4.734 -0.402 17752 5623 1 10 . 1 1 9 9 PRO C C 106 174.091 174.091 176.514 -2.423 17752 5624 1 10 . 1 1 9 9 PRO CA C 106 62.569 62.569 62.370 0.199 17752 5625 1 10 . 1 1 9 9 PRO CB C 106 32.391 32.391 32.475 -0.084 17752 5626 1 10 . 1 1 10 10 LEU N N 107 118.910 118.910 120.869 -1.959 17752 5627 1 10 . 1 1 10 10 LEU HA H 107 4.642 4.642 4.878 -0.236 17752 5628 1 10 . 1 1 10 10 LEU C C 107 175.964 175.964 176.494 -0.530 17752 5629 1 10 . 1 1 10 10 LEU CA C 107 53.919 53.919 52.907 1.012 17752 5630 1 10 . 1 1 10 10 LEU CB C 107 46.315 46.315 42.366 3.949 17752 5631 1 10 . 1 1 10 10 LEU H H 107 7.793 7.793 8.404 -0.611 17752 5632 1 10 . 1 1 11 11 GLU N N 108 113.307 113.307 116.595 -3.288 17752 5633 1 10 . 1 1 11 11 GLU HA H 108 3.805 3.805 3.964 -0.159 17752 5634 1 10 . 1 1 11 11 GLU C C 108 175.118 175.118 175.654 -0.536 17752 5635 1 10 . 1 1 11 11 GLU CA C 108 56.418 56.418 57.225 -0.807 17752 5636 1 10 . 1 1 11 11 GLU CB C 108 27.789 27.789 27.245 0.543 17752 5637 1 10 . 1 1 11 11 GLU H H 108 8.539 8.539 8.733 -0.194 17752 5638 1 10 . 1 1 12 12 LEU N N 109 120.420 120.420 120.828 -0.408 17752 5639 1 10 . 1 1 12 12 LEU HA H 109 4.903 4.903 4.566 0.337 17752 5640 1 10 . 1 1 12 12 LEU C C 109 176.238 176.238 175.950 0.288 17752 5641 1 10 . 1 1 12 12 LEU CA C 109 56.228 56.228 54.987 1.241 17752 5642 1 10 . 1 1 12 12 LEU CB C 109 42.021 42.021 41.926 0.095 17752 5643 1 10 . 1 1 12 12 LEU H H 109 8.053 8.053 7.998 0.055 17752 5644 1 10 . 1 1 13 13 ALA N N 110 132.286 132.286 131.753 0.533 17752 5645 1 10 . 1 1 13 13 ALA HA H 110 4.833 4.833 4.846 -0.013 17752 5646 1 10 . 1 1 13 13 ALA C C 110 175.560 175.560 175.230 0.330 17752 5647 1 10 . 1 1 13 13 ALA CA C 110 51.152 51.152 50.574 0.578 17752 5648 1 10 . 1 1 13 13 ALA CB C 110 21.788 21.788 21.843 -0.055 17752 5649 1 10 . 1 1 13 13 ALA H H 110 9.653 9.653 9.109 0.544 17752 5650 1 10 . 1 1 14 14 VAL N N 111 116.305 116.305 123.478 -7.173 17752 5651 1 10 . 1 1 14 14 VAL HA H 111 5.293 5.293 4.799 0.494 17752 5652 1 10 . 1 1 14 14 VAL C C 111 174.459 174.459 175.212 -0.753 17752 5653 1 10 . 1 1 14 14 VAL CA C 111 59.146 59.146 61.013 -1.867 17752 5654 1 10 . 1 1 14 14 VAL CB C 111 35.256 35.256 33.870 1.386 17752 5655 1 10 . 1 1 14 14 VAL H H 111 8.477 8.477 8.580 -0.103 17752 5656 1 10 . 1 1 15 15 GLU N N 112 122.235 122.235 128.823 -6.588 17752 5657 1 10 . 1 1 15 15 GLU HA H 112 4.659 4.659 4.708 -0.049 17752 5658 1 10 . 1 1 15 15 GLU C C 112 174.581 174.581 174.624 -0.043 17752 5659 1 10 . 1 1 15 15 GLU CA C 112 55.224 55.224 54.694 0.530 17752 5660 1 10 . 1 1 15 15 GLU CB C 112 34.744 34.744 33.797 0.947 17752 5661 1 10 . 1 1 15 15 GLU H H 112 8.947 8.947 8.919 0.028 17752 5662 1 10 . 1 1 16 16 VAL N N 113 124.568 124.568 127.145 -2.577 17752 5663 1 10 . 1 1 16 16 VAL HA H 113 4.441 4.441 4.172 0.269 17752 5664 1 10 . 1 1 16 16 VAL C C 113 175.480 175.480 175.312 0.168 17752 5665 1 10 . 1 1 16 16 VAL CA C 113 62.281 62.281 62.781 -0.500 17752 5666 1 10 . 1 1 16 16 VAL CB C 113 31.565 31.565 32.718 -1.153 17752 5667 1 10 . 1 1 16 16 VAL H H 113 9.044 9.044 8.700 0.344 17752 5668 1 10 . 1 1 17 17 LYS N N 114 128.676 128.676 129.995 -1.319 17752 5669 1 10 . 1 1 17 17 LYS HA H 114 4.403 4.403 4.524 -0.121 17752 5670 1 10 . 1 1 17 17 LYS C C 114 174.547 174.547 174.830 -0.283 17752 5671 1 10 . 1 1 17 17 LYS CA C 114 53.518 53.518 54.046 -0.528 17752 5672 1 10 . 1 1 17 17 LYS CB C 114 32.995 32.995 32.709 0.286 17752 5673 1 10 . 1 1 17 17 LYS H H 114 8.788 8.788 9.067 -0.279 17752 5674 1 10 . 1 1 18 18 GLN N N 115 119.854 119.854 124.284 -4.430 17752 5675 1 10 . 1 1 18 18 GLN HA H 115 4.691 4.691 4.596 0.095 17752 5676 1 10 . 1 1 18 18 GLN C C 115 172.587 172.587 174.422 -1.835 17752 5677 1 10 . 1 1 18 18 GLN CA C 115 52.787 52.787 54.089 -1.302 17752 5678 1 10 . 1 1 18 18 GLN CB C 115 30.109 30.109 29.121 0.988 17752 5679 1 10 . 1 1 18 18 GLN H H 115 8.537 8.537 8.865 -0.328 17752 5680 1 10 . 1 1 19 19 PRO HA H 116 4.526 4.526 4.437 0.089 17752 5681 1 10 . 1 1 19 19 PRO C C 116 176.958 176.958 176.489 0.469 17752 5682 1 10 . 1 1 19 19 PRO CA C 116 62.106 62.106 63.639 -1.533 17752 5683 1 10 . 1 1 19 19 PRO CB C 116 32.375 32.375 32.649 -0.274 17752 5684 1 10 . 1 1 20 20 GLU N N 117 119.774 119.774 116.983 2.791 17752 5685 1 10 . 1 1 20 20 GLU HA H 117 4.079 4.079 4.245 -0.167 17752 5686 1 10 . 1 1 20 20 GLU C C 117 176.961 176.961 176.247 0.714 17752 5687 1 10 . 1 1 20 20 GLU CA C 117 58.256 58.256 56.627 1.629 17752 5688 1 10 . 1 1 20 20 GLU CB C 117 29.653 29.653 30.131 -0.478 17752 5689 1 10 . 1 1 20 20 GLU H H 117 8.806 8.806 8.196 0.610 17752 5690 1 10 . 1 1 21 21 ASP N N 118 116.513 116.513 119.172 -2.659 17752 5691 1 10 . 1 1 21 21 ASP HA H 118 4.482 4.482 4.524 -0.042 17752 5692 1 10 . 1 1 21 21 ASP C C 118 175.271 175.271 177.440 -2.169 17752 5693 1 10 . 1 1 21 21 ASP CA C 118 54.231 54.231 55.477 -1.246 17752 5694 1 10 . 1 1 21 21 ASP CB C 118 40.460 40.460 40.563 -0.103 17752 5695 1 10 . 1 1 21 21 ASP H H 118 8.449 8.449 8.414 0.035 17752 5696 1 10 . 1 1 22 22 ARG N N 119 115.342 115.342 118.605 -3.263 17752 5697 1 10 . 1 1 22 22 ARG HA H 119 4.491 4.491 4.257 0.234 17752 5698 1 10 . 1 1 22 22 ARG C C 119 174.745 174.745 175.579 -0.834 17752 5699 1 10 . 1 1 22 22 ARG CA C 119 54.806 54.806 55.893 -1.087 17752 5700 1 10 . 1 1 22 22 ARG CB C 119 32.004 32.004 30.397 1.607 17752 5701 1 10 . 1 1 22 22 ARG H H 119 7.448 7.448 8.074 -0.626 17752 5702 1 10 . 1 1 23 23 LYS N N 120 119.981 119.981 115.671 4.310 17752 5703 1 10 . 1 1 23 23 LYS HA H 120 4.489 4.489 4.015 0.474 17752 5704 1 10 . 1 1 23 23 LYS C C 120 173.641 173.641 173.985 -0.344 17752 5705 1 10 . 1 1 23 23 LYS CA C 120 54.621 54.621 56.208 -1.587 17752 5706 1 10 . 1 1 23 23 LYS CB C 120 31.611 31.611 30.712 0.899 17752 5707 1 10 . 1 1 23 23 LYS H H 120 7.982 7.982 7.359 0.623 17752 5708 1 10 . 1 1 24 24 PRO HA H 121 4.813 4.813 4.645 0.168 17752 5709 1 10 . 1 1 24 24 PRO C C 121 174.901 174.901 175.891 -0.990 17752 5710 1 10 . 1 1 24 24 PRO CA C 121 62.720 62.720 62.875 -0.155 17752 5711 1 10 . 1 1 24 24 PRO CB C 121 33.066 33.066 31.665 1.401 17752 5712 1 10 . 1 1 25 25 TYR N N 122 111.573 111.573 120.305 -8.732 17752 5713 1 10 . 1 1 25 25 TYR HA H 122 5.134 5.134 5.301 -0.167 17752 5714 1 10 . 1 1 25 25 TYR C C 122 172.672 172.672 173.292 -0.620 17752 5715 1 10 . 1 1 25 25 TYR CA C 122 55.650 55.650 55.520 0.130 17752 5716 1 10 . 1 1 25 25 TYR CB C 122 40.394 40.394 40.821 -0.427 17752 5717 1 10 . 1 1 25 25 TYR H H 122 8.287 8.287 8.772 -0.485 17752 5718 1 10 . 1 1 26 26 LEU N N 123 120.288 120.288 120.583 -0.295 17752 5719 1 10 . 1 1 26 26 LEU HA H 123 4.907 4.907 4.537 0.370 17752 5720 1 10 . 1 1 26 26 LEU C C 123 174.277 174.277 175.437 -1.160 17752 5721 1 10 . 1 1 26 26 LEU CA C 123 53.789 53.789 54.314 -0.525 17752 5722 1 10 . 1 1 26 26 LEU CB C 123 44.717 44.717 44.357 0.360 17752 5723 1 10 . 1 1 26 26 LEU H H 123 9.073 9.073 8.704 0.369 17752 5724 1 10 . 1 1 27 27 TRP N N 124 130.187 130.187 128.731 1.456 17752 5725 1 10 . 1 1 27 27 TRP HA H 124 5.555 5.555 5.339 0.216 17752 5726 1 10 . 1 1 27 27 TRP C C 124 173.810 173.810 174.439 -0.629 17752 5727 1 10 . 1 1 27 27 TRP CA C 124 55.161 55.161 54.678 0.483 17752 5728 1 10 . 1 1 27 27 TRP CB C 124 31.383 31.383 30.469 0.914 17752 5729 1 10 . 1 1 27 27 TRP H H 124 9.628 9.628 9.266 0.362 17752 5730 1 10 . 1 1 28 28 ILE N N 125 128.941 128.941 130.451 -1.510 17752 5731 1 10 . 1 1 28 28 ILE HA H 125 4.814 4.814 4.762 0.052 17752 5732 1 10 . 1 1 28 28 ILE C C 125 173.004 173.004 174.175 -1.171 17752 5733 1 10 . 1 1 28 28 ILE CA C 125 60.152 60.152 60.148 0.004 17752 5734 1 10 . 1 1 28 28 ILE CB C 125 41.018 41.018 39.221 1.797 17752 5735 1 10 . 1 1 28 28 ILE H H 125 8.867 8.867 9.289 -0.422 17752 5736 1 10 . 1 1 29 29 LYS N N 126 124.705 124.705 124.876 -0.171 17752 5737 1 10 . 1 1 29 29 LYS HA H 126 4.553 4.553 4.522 0.031 17752 5738 1 10 . 1 1 29 29 LYS C C 126 173.764 173.764 174.365 -0.601 17752 5739 1 10 . 1 1 29 29 LYS CA C 126 55.137 55.137 54.026 1.111 17752 5740 1 10 . 1 1 29 29 LYS CB C 126 35.952 35.952 35.771 0.181 17752 5741 1 10 . 1 1 29 29 LYS H H 126 8.789 8.789 8.955 -0.166 17752 5742 1 10 . 1 1 30 30 TRP N N 127 118.127 118.127 120.610 -2.483 17752 5743 1 10 . 1 1 30 30 TRP HA H 127 5.010 5.010 5.521 -0.511 17752 5744 1 10 . 1 1 30 30 TRP C C 127 173.354 173.354 175.056 -1.702 17752 5745 1 10 . 1 1 30 30 TRP CA C 127 57.079 57.079 54.907 2.172 17752 5746 1 10 . 1 1 30 30 TRP CB C 127 29.480 29.480 31.779 -2.300 17752 5747 1 10 . 1 1 30 30 TRP H H 127 7.408 7.408 7.012 0.396 17752 5748 1 10 . 1 1 31 31 SER N N 128 113.791 113.791 117.601 -3.810 17752 5749 1 10 . 1 1 31 31 SER HA H 128 5.137 5.137 4.826 0.311 17752 5750 1 10 . 1 1 31 31 SER C C 128 171.258 171.258 172.725 -1.467 17752 5751 1 10 . 1 1 31 31 SER CA C 128 55.299 55.299 54.846 0.453 17752 5752 1 10 . 1 1 31 31 SER CB C 128 63.849 63.849 65.305 -1.456 17752 5753 1 10 . 1 1 31 31 SER H H 128 8.972 8.972 9.234 -0.262 17752 5754 1 10 . 1 1 32 32 PRO HA H 129 4.953 4.953 4.677 0.276 17752 5755 1 10 . 1 1 33 33 PRO HA H 130 4.515 4.515 4.356 0.159 17752 5756 1 10 . 1 1 33 33 PRO C C 130 176.322 176.322 176.974 -0.652 17752 5757 1 10 . 1 1 33 33 PRO CA C 130 62.668 62.668 63.650 -0.982 17752 5758 1 10 . 1 1 33 33 PRO CB C 130 32.077 32.077 31.043 1.034 17752 5759 1 10 . 1 1 34 34 THR N N 131 113.844 113.844 113.090 0.754 17752 5760 1 10 . 1 1 34 34 THR HA H 131 4.147 4.147 4.012 0.135 17752 5761 1 10 . 1 1 34 34 THR C C 131 174.576 174.576 173.694 0.882 17752 5762 1 10 . 1 1 34 34 THR CA C 131 62.833 62.833 63.061 -0.228 17752 5763 1 10 . 1 1 34 34 THR CB C 131 69.346 69.346 68.256 1.090 17752 5764 1 10 . 1 1 34 34 THR H H 131 8.128 8.128 8.064 0.064 17752 5765 1 10 . 1 1 35 35 LEU N N 132 125.831 125.831 122.680 3.151 17752 5766 1 10 . 1 1 35 35 LEU HA H 132 4.432 4.432 4.484 -0.052 17752 5767 1 10 . 1 1 35 35 LEU C C 132 176.794 176.794 177.054 -0.260 17752 5768 1 10 . 1 1 35 35 LEU CA C 132 54.799 54.799 54.364 0.435 17752 5769 1 10 . 1 1 35 35 LEU CB C 132 42.344 42.344 41.922 0.422 17752 5770 1 10 . 1 1 35 35 LEU H H 132 8.336 8.336 8.316 0.020 17752 5771 1 10 . 1 1 36 36 ILE N N 133 121.733 121.733 123.310 -1.577 17752 5772 1 10 . 1 1 36 36 ILE HA H 133 4.070 4.070 4.115 -0.045 17752 5773 1 10 . 1 1 36 36 ILE C C 133 175.690 175.690 176.041 -0.351 17752 5774 1 10 . 1 1 36 36 ILE CA C 133 61.695 61.695 62.020 -0.325 17752 5775 1 10 . 1 1 36 36 ILE CB C 133 38.553 38.553 38.796 -0.243 17752 5776 1 10 . 1 1 36 36 ILE H H 133 8.054 8.054 8.563 -0.509 17752 5777 1 10 . 1 1 37 37 ASP N N 134 121.852 121.852 119.658 2.194 17752 5778 1 10 . 1 1 37 37 ASP HA H 134 4.573 4.573 4.459 0.114 17752 5779 1 10 . 1 1 37 37 ASP C C 134 176.011 176.011 175.387 0.624 17752 5780 1 10 . 1 1 37 37 ASP CA C 134 54.346 54.346 54.626 -0.280 17752 5781 1 10 . 1 1 37 37 ASP CB C 134 41.096 41.096 40.755 0.341 17752 5782 1 10 . 1 1 37 37 ASP H H 134 8.254 8.254 8.411 -0.157 17752 5783 1 10 . 1 1 38 38 LEU N N 135 122.044 122.044 121.746 0.298 17752 5784 1 10 . 1 1 38 38 LEU HA H 135 4.225 4.225 4.403 -0.178 17752 5785 1 10 . 1 1 38 38 LEU C C 135 177.779 177.779 177.139 0.640 17752 5786 1 10 . 1 1 38 38 LEU CA C 135 55.748 55.748 55.258 0.490 17752 5787 1 10 . 1 1 38 38 LEU CB C 135 42.220 42.220 42.120 0.100 17752 5788 1 10 . 1 1 38 38 LEU H H 135 8.052 8.052 8.267 -0.215 17752 5789 1 10 . 1 1 39 39 LYS N N 136 119.589 119.589 124.839 -5.250 17752 5790 1 10 . 1 1 39 39 LYS HA H 136 4.225 4.225 4.567 -0.342 17752 5791 1 10 . 1 1 39 39 LYS C C 136 177.024 177.024 176.393 0.631 17752 5792 1 10 . 1 1 39 39 LYS CA C 136 57.161 57.161 54.967 2.194 17752 5793 1 10 . 1 1 39 39 LYS CB C 136 32.220 32.220 33.230 -1.010 17752 5794 1 10 . 1 1 39 39 LYS H H 136 8.295 8.295 8.467 -0.172 17752 5795 1 10 . 1 1 40 40 THR N N 137 112.003 112.003 113.372 -1.369 17752 5796 1 10 . 1 1 40 40 THR HA H 137 4.189 4.189 4.239 -0.050 17752 5797 1 10 . 1 1 40 40 THR C C 137 174.914 174.914 175.530 -0.616 17752 5798 1 10 . 1 1 40 40 THR CA C 137 62.152 62.152 62.932 -0.780 17752 5799 1 10 . 1 1 40 40 THR CB C 137 69.513 69.513 69.024 0.489 17752 5800 1 10 . 1 1 40 40 THR H H 137 7.787 7.787 8.177 -0.390 17752 5801 1 10 . 1 1 41 41 GLY N N 138 109.975 109.975 114.781 -4.806 17752 5802 1 10 . 1 1 41 41 GLY C C 138 173.470 173.470 173.032 0.438 17752 5803 1 10 . 1 1 41 41 GLY CA C 138 45.370 45.370 44.498 0.872 17752 5804 1 10 . 1 1 41 41 GLY H H 138 8.017 8.017 8.786 -0.769 17752 5805 1 10 . 1 1 42 42 TRP N N 139 119.581 119.581 125.175 -5.594 17752 5806 1 10 . 1 1 42 42 TRP HA H 139 4.634 4.634 4.769 -0.135 17752 5807 1 10 . 1 1 42 42 TRP C C 139 175.349 175.349 174.343 1.006 17752 5808 1 10 . 1 1 42 42 TRP CA C 139 56.762 56.762 56.829 -0.067 17752 5809 1 10 . 1 1 42 42 TRP CB C 139 29.199 29.199 28.729 0.470 17752 5810 1 10 . 1 1 42 42 TRP H H 139 7.787 7.787 8.495 -0.708 17752 5811 1 10 . 1 1 43 43 PHE N N 140 119.509 119.509 128.047 -8.538 17752 5812 1 10 . 1 1 43 43 PHE HA H 140 4.675 4.675 4.697 -0.022 17752 5813 1 10 . 1 1 43 43 PHE C C 140 174.658 174.658 173.390 1.268 17752 5814 1 10 . 1 1 43 43 PHE CA C 140 57.106 57.106 57.784 -0.678 17752 5815 1 10 . 1 1 43 43 PHE CB C 140 40.150 40.150 40.143 0.007 17752 5816 1 10 . 1 1 43 43 PHE H H 140 7.871 7.871 7.874 -0.003 17752 5817 1 10 . 1 1 44 44 THR N N 141 116.290 116.290 119.396 -3.106 17752 5818 1 10 . 1 1 44 44 THR HA H 141 4.323 4.323 4.114 0.209 17752 5819 1 10 . 1 1 44 44 THR C C 141 173.009 173.009 172.117 0.892 17752 5820 1 10 . 1 1 44 44 THR CA C 141 61.830 61.830 60.656 1.174 17752 5821 1 10 . 1 1 44 44 THR CB C 141 70.489 70.489 70.378 0.111 17752 5822 1 10 . 1 1 44 44 THR H H 141 8.380 8.380 7.439 0.941 17752 5823 1 10 . 1 1 45 45 LEU N N 142 124.270 124.270 120.858 3.412 17752 5824 1 10 . 1 1 45 45 LEU HA H 142 4.519 4.519 4.422 0.097 17752 5825 1 10 . 1 1 45 45 LEU C C 142 174.651 174.651 174.639 0.012 17752 5826 1 10 . 1 1 45 45 LEU CA C 142 53.847 53.847 53.832 0.015 17752 5827 1 10 . 1 1 45 45 LEU CB C 142 44.418 44.418 43.245 1.173 17752 5828 1 10 . 1 1 45 45 LEU H H 142 7.972 7.972 7.946 0.026 17752 5829 1 10 . 1 1 46 46 LEU N N 143 120.086 120.086 122.516 -2.430 17752 5830 1 10 . 1 1 46 46 LEU HA H 143 4.666 4.666 4.577 0.089 17752 5831 1 10 . 1 1 46 46 LEU C C 143 176.553 176.553 175.987 0.566 17752 5832 1 10 . 1 1 46 46 LEU CA C 143 52.236 52.236 53.714 -1.478 17752 5833 1 10 . 1 1 46 46 LEU CB C 143 44.725 44.725 42.786 1.939 17752 5834 1 10 . 1 1 46 46 LEU H H 143 8.330 8.330 8.305 0.025 17752 5835 1 10 . 1 1 47 47 TYR N N 144 115.644 115.644 120.833 -5.189 17752 5836 1 10 . 1 1 47 47 TYR HA H 144 5.650 5.650 5.029 0.621 17752 5837 1 10 . 1 1 47 47 TYR C C 144 175.013 175.013 174.927 0.086 17752 5838 1 10 . 1 1 47 47 TYR CA C 144 57.301 57.301 56.044 1.257 17752 5839 1 10 . 1 1 47 47 TYR CB C 144 43.200 43.200 40.860 2.340 17752 5840 1 10 . 1 1 47 47 TYR H H 144 8.674 8.674 8.749 -0.075 17752 5841 1 10 . 1 1 48 48 GLU N N 145 120.669 120.669 120.930 -0.261 17752 5842 1 10 . 1 1 48 48 GLU HA H 145 4.835 4.835 4.631 0.204 17752 5843 1 10 . 1 1 48 48 GLU C C 145 173.623 173.623 174.475 -0.852 17752 5844 1 10 . 1 1 48 48 GLU CA C 145 54.810 54.810 54.771 0.039 17752 5845 1 10 . 1 1 48 48 GLU CB C 145 35.923 35.923 34.226 1.697 17752 5846 1 10 . 1 1 48 48 GLU H H 145 8.186 8.186 8.845 -0.659 17752 5847 1 10 . 1 1 49 49 ILE N N 146 118.773 118.773 125.520 -6.747 17752 5848 1 10 . 1 1 49 49 ILE HA H 146 5.069 5.069 5.192 -0.123 17752 5849 1 10 . 1 1 49 49 ILE C C 146 174.840 174.840 174.549 0.291 17752 5850 1 10 . 1 1 49 49 ILE CA C 146 58.375 58.375 59.806 -1.431 17752 5851 1 10 . 1 1 49 49 ILE CB C 146 42.256 42.256 40.383 1.873 17752 5852 1 10 . 1 1 49 49 ILE H H 146 8.707 8.707 9.111 -0.404 17752 5853 1 10 . 1 1 50 50 ARG N N 147 120.594 120.594 127.188 -6.594 17752 5854 1 10 . 1 1 50 50 ARG HA H 147 5.882 5.882 5.810 0.072 17752 5855 1 10 . 1 1 50 50 ARG C C 147 172.997 172.997 174.603 -1.606 17752 5856 1 10 . 1 1 50 50 ARG CA C 147 53.454 53.454 53.974 -0.520 17752 5857 1 10 . 1 1 50 50 ARG CB C 147 34.273 34.273 32.928 1.345 17752 5858 1 10 . 1 1 50 50 ARG H H 147 8.922 8.922 9.334 -0.412 17752 5859 1 10 . 1 1 51 51 LEU N N 148 119.958 119.958 119.193 0.765 17752 5860 1 10 . 1 1 51 51 LEU HA H 148 6.200 6.200 6.160 0.040 17752 5861 1 10 . 1 1 51 51 LEU C C 148 175.544 175.544 175.159 0.385 17752 5862 1 10 . 1 1 51 51 LEU CA C 148 54.601 54.601 52.769 1.832 17752 5863 1 10 . 1 1 51 51 LEU CB C 148 46.908 46.908 46.592 0.316 17752 5864 1 10 . 1 1 51 51 LEU H H 148 9.242 9.242 9.095 0.147 17752 5865 1 10 . 1 1 52 52 LYS N N 149 116.000 116.000 115.741 0.259 17752 5866 1 10 . 1 1 52 52 LYS HA H 149 4.945 4.945 4.831 0.114 17752 5867 1 10 . 1 1 52 52 LYS C C 149 172.459 172.459 173.467 -1.008 17752 5868 1 10 . 1 1 52 52 LYS CA C 149 54.828 54.828 54.708 0.120 17752 5869 1 10 . 1 1 52 52 LYS CB C 149 32.809 32.809 33.835 -1.026 17752 5870 1 10 . 1 1 52 52 LYS H H 149 8.399 8.399 8.494 -0.095 17752 5871 1 10 . 1 1 53 53 PRO HA H 150 4.103 4.103 4.660 -0.557 17752 5872 1 10 . 1 1 53 53 PRO C C 150 178.630 178.630 178.441 0.189 17752 5873 1 10 . 1 1 53 53 PRO CA C 150 61.651 61.651 61.986 -0.335 17752 5874 1 10 . 1 1 53 53 PRO CB C 150 31.521 31.521 32.357 -0.836 17752 5875 1 10 . 1 1 54 54 GLU N N 151 125.100 125.100 119.698 5.402 17752 5876 1 10 . 1 1 54 54 GLU HA H 151 3.580 3.580 3.951 -0.371 17752 5877 1 10 . 1 1 54 54 GLU C C 151 176.912 176.912 177.717 -0.805 17752 5878 1 10 . 1 1 54 54 GLU CA C 151 60.163 60.163 59.063 1.100 17752 5879 1 10 . 1 1 54 54 GLU CB C 151 30.024 30.024 28.845 1.179 17752 5880 1 10 . 1 1 54 54 GLU H H 151 8.865 8.865 8.470 0.395 17752 5881 1 10 . 1 1 55 55 LYS N N 152 113.857 113.857 118.492 -4.635 17752 5882 1 10 . 1 1 55 55 LYS HA H 152 4.150 4.150 4.244 -0.094 17752 5883 1 10 . 1 1 55 55 LYS C C 152 176.530 176.530 175.362 1.168 17752 5884 1 10 . 1 1 55 55 LYS CA C 152 56.088 56.088 55.357 0.731 17752 5885 1 10 . 1 1 55 55 LYS CB C 152 31.681 31.681 31.937 -0.256 17752 5886 1 10 . 1 1 55 55 LYS H H 152 8.356 8.356 7.736 0.620 17752 5887 1 10 . 1 1 56 56 ALA N N 153 121.720 121.720 121.820 -0.100 17752 5888 1 10 . 1 1 56 56 ALA HA H 153 4.252 4.252 4.518 -0.266 17752 5889 1 10 . 1 1 56 56 ALA C C 153 177.098 177.098 176.837 0.261 17752 5890 1 10 . 1 1 56 56 ALA CA C 153 51.651 51.651 51.039 0.612 17752 5891 1 10 . 1 1 56 56 ALA CB C 153 20.289 20.289 20.210 0.079 17752 5892 1 10 . 1 1 56 56 ALA H H 153 7.359 7.359 7.211 0.148 17752 5893 1 10 . 1 1 57 57 ALA HA H 154 4.171 4.171 4.236 -0.065 17752 5894 1 10 . 1 1 57 57 ALA C C 154 177.719 177.719 177.715 0.004 17752 5895 1 10 . 1 1 57 57 ALA CA C 154 53.285 53.285 52.759 0.526 17752 5896 1 10 . 1 1 57 57 ALA CB C 154 19.767 19.767 19.084 0.683 17752 5897 1 10 . 1 1 58 58 GLU N N 155 115.658 115.658 117.923 -2.265 17752 5898 1 10 . 1 1 58 58 GLU HA H 155 4.556 4.556 4.456 0.100 17752 5899 1 10 . 1 1 58 58 GLU C C 155 174.857 174.857 174.782 0.075 17752 5900 1 10 . 1 1 58 58 GLU CA C 155 54.771 54.771 55.042 -0.271 17752 5901 1 10 . 1 1 58 58 GLU CB C 155 32.247 32.247 31.366 0.881 17752 5902 1 10 . 1 1 58 58 GLU H H 155 7.527 7.527 7.810 -0.283 17752 5903 1 10 . 1 1 59 59 TRP N N 156 121.007 121.007 121.548 -0.541 17752 5904 1 10 . 1 1 59 59 TRP HA H 156 4.334 4.334 4.642 -0.308 17752 5905 1 10 . 1 1 59 59 TRP C C 156 176.227 176.227 176.415 -0.188 17752 5906 1 10 . 1 1 59 59 TRP CA C 156 56.986 56.986 56.743 0.243 17752 5907 1 10 . 1 1 59 59 TRP CB C 156 31.064 31.064 30.711 0.353 17752 5908 1 10 . 1 1 59 59 TRP H H 156 8.499 8.499 8.497 0.002 17752 5909 1 10 . 1 1 60 60 GLU N N 157 123.107 123.107 124.005 -0.898 17752 5910 1 10 . 1 1 60 60 GLU HA H 157 4.689 4.689 4.547 0.142 17752 5911 1 10 . 1 1 60 60 GLU C C 157 174.904 174.904 175.913 -1.009 17752 5912 1 10 . 1 1 60 60 GLU CA C 157 55.797 55.797 55.948 -0.151 17752 5913 1 10 . 1 1 60 60 GLU CB C 157 31.671 31.671 31.040 0.631 17752 5914 1 10 . 1 1 60 60 GLU H H 157 8.930 8.930 8.896 0.034 17752 5915 1 10 . 1 1 61 61 ILE N N 158 124.822 124.822 126.793 -1.971 17752 5916 1 10 . 1 1 61 61 ILE HA H 158 4.972 4.972 4.377 0.595 17752 5917 1 10 . 1 1 61 61 ILE C C 158 175.938 175.938 175.641 0.297 17752 5918 1 10 . 1 1 61 61 ILE CA C 158 60.029 60.029 60.796 -0.767 17752 5919 1 10 . 1 1 61 61 ILE CB C 158 39.652 39.652 38.468 1.184 17752 5920 1 10 . 1 1 61 61 ILE H H 158 8.371 8.371 8.744 -0.373 17752 5921 1 10 . 1 1 62 62 HIS N N 159 125.647 125.647 127.479 -1.832 17752 5922 1 10 . 1 1 62 62 HIS HA H 159 4.750 4.750 4.915 -0.165 17752 5923 1 10 . 1 1 62 62 HIS C C 159 173.704 173.704 173.661 0.043 17752 5924 1 10 . 1 1 62 62 HIS CA C 159 54.910 54.910 54.128 0.782 17752 5925 1 10 . 1 1 62 62 HIS CB C 159 34.940 34.940 31.873 3.067 17752 5926 1 10 . 1 1 62 62 HIS H H 159 9.326 9.326 9.480 -0.154 17752 5927 1 10 . 1 1 63 63 PHE N N 160 124.930 124.930 126.470 -1.540 17752 5928 1 10 . 1 1 63 63 PHE HA H 160 4.897 4.897 4.367 0.530 17752 5929 1 10 . 1 1 63 63 PHE C C 160 174.606 174.606 174.603 0.003 17752 5930 1 10 . 1 1 63 63 PHE CA C 160 58.097 58.097 58.690 -0.593 17752 5931 1 10 . 1 1 63 63 PHE CB C 160 39.192 39.192 40.005 -0.812 17752 5932 1 10 . 1 1 63 63 PHE H H 160 9.207 9.207 9.069 0.138 17752 5933 1 10 . 1 1 64 64 ALA N N 161 130.696 130.696 129.679 1.017 17752 5934 1 10 . 1 1 64 64 ALA HA H 161 4.645 4.645 4.401 0.244 17752 5935 1 10 . 1 1 64 64 ALA C C 161 177.327 177.327 176.559 0.768 17752 5936 1 10 . 1 1 64 64 ALA CA C 161 51.333 51.333 52.412 -1.079 17752 5937 1 10 . 1 1 64 64 ALA CB C 161 19.696 19.696 20.942 -1.246 17752 5938 1 10 . 1 1 64 64 ALA H H 161 8.371 8.371 8.101 0.270 17752 5939 1 10 . 1 1 65 65 GLY N N 162 105.725 105.725 106.699 -0.974 17752 5940 1 10 . 1 1 65 65 GLY C C 162 173.920 173.920 173.823 0.097 17752 5941 1 10 . 1 1 65 65 GLY CA C 162 47.245 47.245 45.056 2.189 17752 5942 1 10 . 1 1 65 65 GLY H H 162 6.059 6.059 7.363 -1.304 17752 5943 1 10 . 1 1 66 66 GLN N N 163 122.418 122.418 122.795 -0.377 17752 5944 1 10 . 1 1 66 66 GLN HA H 163 5.120 5.120 4.440 0.680 17752 5945 1 10 . 1 1 66 66 GLN C C 163 176.832 176.832 174.802 2.030 17752 5946 1 10 . 1 1 66 66 GLN CA C 163 55.887 55.887 55.357 0.530 17752 5947 1 10 . 1 1 66 66 GLN CB C 163 30.063 30.063 28.500 1.563 17752 5948 1 10 . 1 1 66 66 GLN H H 163 9.029 9.029 8.585 0.444 17752 5949 1 10 . 1 1 67 67 GLN N N 164 119.220 119.220 118.002 1.218 17752 5950 1 10 . 1 1 67 67 GLN HA H 164 4.373 4.373 4.506 -0.133 17752 5951 1 10 . 1 1 67 67 GLN C C 164 173.020 173.020 175.009 -1.989 17752 5952 1 10 . 1 1 67 67 GLN CA C 164 56.025 56.025 54.787 1.238 17752 5953 1 10 . 1 1 67 67 GLN CB C 164 30.868 30.868 30.419 0.449 17752 5954 1 10 . 1 1 67 67 GLN H H 164 7.746 7.746 7.763 -0.017 17752 5955 1 10 . 1 1 68 68 THR N N 165 104.368 104.368 111.544 -7.176 17752 5956 1 10 . 1 1 68 68 THR HA H 165 3.264 3.264 3.810 -0.546 17752 5957 1 10 . 1 1 68 68 THR C C 165 171.726 171.726 172.563 -0.837 17752 5958 1 10 . 1 1 68 68 THR CA C 165 58.963 58.963 60.957 -1.994 17752 5959 1 10 . 1 1 68 68 THR CB C 165 66.777 66.777 67.871 -1.093 17752 5960 1 10 . 1 1 68 68 THR H H 165 7.716 7.716 8.293 -0.577 17752 5961 1 10 . 1 1 69 69 GLU N N 166 113.260 113.260 117.502 -4.242 17752 5962 1 10 . 1 1 69 69 GLU HA H 166 4.597 4.597 4.620 -0.023 17752 5963 1 10 . 1 1 69 69 GLU C C 166 174.977 174.977 174.548 0.429 17752 5964 1 10 . 1 1 69 69 GLU CA C 166 53.742 53.742 54.534 -0.792 17752 5965 1 10 . 1 1 69 69 GLU CB C 166 33.177 33.177 33.276 -0.099 17752 5966 1 10 . 1 1 69 69 GLU H H 166 6.562 6.562 7.383 -0.821 17752 5967 1 10 . 1 1 70 70 PHE N N 167 122.043 122.043 121.254 0.789 17752 5968 1 10 . 1 1 70 70 PHE HA H 167 4.545 4.545 4.991 -0.446 17752 5969 1 10 . 1 1 70 70 PHE C C 167 172.620 172.620 173.125 -0.505 17752 5970 1 10 . 1 1 70 70 PHE CA C 167 58.957 58.957 57.022 1.935 17752 5971 1 10 . 1 1 70 70 PHE CB C 167 45.667 45.667 44.062 1.605 17752 5972 1 10 . 1 1 70 70 PHE H H 167 9.385 9.385 9.209 0.176 17752 5973 1 10 . 1 1 71 71 LYS N N 168 122.342 122.342 124.090 -1.748 17752 5974 1 10 . 1 1 71 71 LYS HA H 168 5.667 5.667 5.665 0.002 17752 5975 1 10 . 1 1 71 71 LYS C C 168 174.656 174.656 175.327 -0.671 17752 5976 1 10 . 1 1 71 71 LYS CA C 168 54.701 54.701 54.206 0.495 17752 5977 1 10 . 1 1 71 71 LYS CB C 168 35.338 35.338 34.883 0.455 17752 5978 1 10 . 1 1 71 71 LYS H H 168 7.129 7.129 7.505 -0.376 17752 5979 1 10 . 1 1 72 72 ILE N N 169 122.191 122.191 122.757 -0.566 17752 5980 1 10 . 1 1 72 72 ILE HA H 169 4.334 4.334 4.273 0.061 17752 5981 1 10 . 1 1 72 72 ILE C C 169 175.258 175.258 175.035 0.223 17752 5982 1 10 . 1 1 72 72 ILE CA C 169 59.091 59.091 58.869 0.222 17752 5983 1 10 . 1 1 72 72 ILE CB C 169 39.295 39.295 39.418 -0.123 17752 5984 1 10 . 1 1 72 72 ILE H H 169 8.978 8.978 8.667 0.311 17752 5985 1 10 . 1 1 73 73 LEU N N 170 126.298 126.298 125.994 0.304 17752 5986 1 10 . 1 1 73 73 LEU HA H 170 4.647 4.647 4.561 0.086 17752 5987 1 10 . 1 1 73 73 LEU C C 170 176.979 176.979 177.376 -0.397 17752 5988 1 10 . 1 1 73 73 LEU CA C 170 56.171 56.171 55.767 0.404 17752 5989 1 10 . 1 1 73 73 LEU CB C 170 43.187 43.187 42.620 0.567 17752 5990 1 10 . 1 1 73 73 LEU H H 170 8.647 8.647 8.574 0.073 17752 5991 1 10 . 1 1 74 74 SER N N 171 112.997 112.997 116.045 -3.048 17752 5992 1 10 . 1 1 74 74 SER HA H 171 4.792 4.792 4.507 0.285 17752 5993 1 10 . 1 1 74 74 SER C C 171 172.975 172.975 173.347 -0.372 17752 5994 1 10 . 1 1 74 74 SER CA C 171 57.259 57.259 58.681 -1.422 17752 5995 1 10 . 1 1 74 74 SER CB C 171 62.829 62.829 61.228 1.601 17752 5996 1 10 . 1 1 74 74 SER H H 171 7.438 7.438 8.174 -0.736 17752 5997 1 10 . 1 1 75 75 LEU N N 172 124.862 124.862 124.424 0.438 17752 5998 1 10 . 1 1 75 75 LEU HA H 172 4.454 4.454 4.786 -0.332 17752 5999 1 10 . 1 1 75 75 LEU C C 172 175.166 175.166 175.517 -0.351 17752 6000 1 10 . 1 1 75 75 LEU CA C 172 53.276 53.276 53.967 -0.691 17752 6001 1 10 . 1 1 75 75 LEU CB C 172 45.925 45.925 45.664 0.260 17752 6002 1 10 . 1 1 75 75 LEU H H 172 7.932 7.932 8.047 -0.115 17752 6003 1 10 . 1 1 76 76 HIS N N 173 120.512 120.512 120.568 -0.056 17752 6004 1 10 . 1 1 76 76 HIS HA H 173 5.027 5.027 5.091 -0.064 17752 6005 1 10 . 1 1 76 76 HIS C C 173 173.227 173.227 172.910 0.317 17752 6006 1 10 . 1 1 76 76 HIS CA C 173 53.512 53.512 53.146 0.366 17752 6007 1 10 . 1 1 76 76 HIS CB C 173 30.896 30.896 33.304 -2.408 17752 6008 1 10 . 1 1 76 76 HIS H H 173 8.350 8.350 8.456 -0.106 17752 6009 1 10 . 1 1 77 77 PRO HA H 174 4.194 4.194 4.389 -0.195 17752 6010 1 10 . 1 1 77 77 PRO C C 174 178.280 178.280 177.435 0.845 17752 6011 1 10 . 1 1 77 77 PRO CA C 174 63.005 63.005 64.026 -1.021 17752 6012 1 10 . 1 1 77 77 PRO CB C 174 32.946 32.946 31.768 1.178 17752 6013 1 10 . 1 1 78 78 GLY N N 175 109.449 109.449 112.767 -3.318 17752 6014 1 10 . 1 1 78 78 GLY C C 175 173.983 173.983 173.551 0.432 17752 6015 1 10 . 1 1 78 78 GLY CA C 175 46.309 46.309 44.936 1.373 17752 6016 1 10 . 1 1 78 78 GLY H H 175 7.323 7.323 8.564 -1.241 17752 6017 1 10 . 1 1 79 79 GLN N N 176 116.806 116.806 119.478 -2.672 17752 6018 1 10 . 1 1 79 79 GLN HA H 176 4.564 4.564 4.488 0.076 17752 6019 1 10 . 1 1 79 79 GLN C C 176 174.210 174.210 174.006 0.204 17752 6020 1 10 . 1 1 79 79 GLN CA C 176 54.321 54.321 53.496 0.825 17752 6021 1 10 . 1 1 79 79 GLN CB C 176 30.805 30.805 32.156 -1.351 17752 6022 1 10 . 1 1 79 79 GLN H H 176 7.122 7.122 7.552 -0.430 17752 6023 1 10 . 1 1 80 80 LYS N N 177 123.628 123.628 126.124 -2.496 17752 6024 1 10 . 1 1 80 80 LYS HA H 177 4.989 4.989 4.846 0.143 17752 6025 1 10 . 1 1 80 80 LYS C C 177 175.461 175.461 175.402 0.059 17752 6026 1 10 . 1 1 80 80 LYS CA C 177 55.580 55.580 55.826 -0.246 17752 6027 1 10 . 1 1 80 80 LYS CB C 177 33.369 33.369 33.882 -0.513 17752 6028 1 10 . 1 1 80 80 LYS H H 177 8.679 8.679 8.476 0.203 17752 6029 1 10 . 1 1 81 81 TYR N N 178 126.820 126.820 124.841 1.979 17752 6030 1 10 . 1 1 81 81 TYR HA H 178 5.084 5.084 4.915 0.169 17752 6031 1 10 . 1 1 81 81 TYR C C 178 174.883 174.883 174.674 0.209 17752 6032 1 10 . 1 1 81 81 TYR CA C 178 57.082 57.082 57.098 -0.016 17752 6033 1 10 . 1 1 81 81 TYR CB C 178 41.952 41.952 41.852 0.100 17752 6034 1 10 . 1 1 81 81 TYR H H 178 9.407 9.407 9.357 0.050 17752 6035 1 10 . 1 1 82 82 LEU N N 179 119.285 119.285 123.363 -4.078 17752 6036 1 10 . 1 1 82 82 LEU HA H 179 4.993 4.993 4.841 0.152 17752 6037 1 10 . 1 1 82 82 LEU C C 179 176.372 176.372 175.952 0.420 17752 6038 1 10 . 1 1 82 82 LEU CA C 179 54.686 54.686 54.107 0.579 17752 6039 1 10 . 1 1 82 82 LEU CB C 179 45.287 45.287 43.151 2.136 17752 6040 1 10 . 1 1 82 82 LEU H H 179 8.457 8.457 9.063 -0.606 17752 6041 1 10 . 1 1 83 83 VAL N N 180 119.136 119.136 117.479 1.657 17752 6042 1 10 . 1 1 83 83 VAL HA H 180 5.167 5.167 5.267 -0.100 17752 6043 1 10 . 1 1 83 83 VAL C C 180 175.007 175.007 174.611 0.396 17752 6044 1 10 . 1 1 83 83 VAL CA C 180 60.829 60.829 59.627 1.202 17752 6045 1 10 . 1 1 83 83 VAL CB C 180 35.132 35.132 34.400 0.732 17752 6046 1 10 . 1 1 83 83 VAL H H 180 8.442 8.442 9.233 -0.791 17752 6047 1 10 . 1 1 84 84 GLN N N 181 121.769 121.769 124.151 -2.382 17752 6048 1 10 . 1 1 84 84 GLN HA H 181 4.365 4.365 5.005 -0.640 17752 6049 1 10 . 1 1 84 84 GLN C C 181 172.935 172.935 173.691 -0.756 17752 6050 1 10 . 1 1 84 84 GLN CA C 181 55.052 55.052 54.250 0.802 17752 6051 1 10 . 1 1 84 84 GLN CB C 181 36.079 36.079 33.452 2.627 17752 6052 1 10 . 1 1 84 84 GLN H H 181 8.986 8.986 9.085 -0.099 17752 6053 1 10 . 1 1 85 85 VAL N N 182 116.946 116.946 122.408 -5.462 17752 6054 1 10 . 1 1 85 85 VAL HA H 182 5.444 5.444 5.229 0.215 17752 6055 1 10 . 1 1 85 85 VAL C C 182 172.842 172.842 174.093 -1.251 17752 6056 1 10 . 1 1 85 85 VAL CA C 182 59.501 59.501 59.389 0.112 17752 6057 1 10 . 1 1 85 85 VAL CB C 182 35.973 35.973 34.961 1.012 17752 6058 1 10 . 1 1 85 85 VAL H H 182 8.425 8.425 8.388 0.037 17752 6059 1 10 . 1 1 86 86 ARG N N 183 122.701 122.701 127.374 -4.673 17752 6060 1 10 . 1 1 86 86 ARG HA H 183 4.586 4.586 4.540 0.046 17752 6061 1 10 . 1 1 86 86 ARG C C 183 173.613 173.613 174.005 -0.392 17752 6062 1 10 . 1 1 86 86 ARG CA C 183 54.760 54.760 53.333 1.427 17752 6063 1 10 . 1 1 86 86 ARG CB C 183 33.484 33.484 32.417 1.067 17752 6064 1 10 . 1 1 86 86 ARG H H 183 8.853 8.853 8.811 0.042 17752 6065 1 10 . 1 1 87 87 CYS N N 184 113.995 113.995 116.562 -2.567 17752 6066 1 10 . 1 1 87 87 CYS HA H 184 6.281 6.281 5.133 1.148 17752 6067 1 10 . 1 1 87 87 CYS C C 184 172.060 172.060 173.000 -0.940 17752 6068 1 10 . 1 1 87 87 CYS CA C 184 54.763 54.763 55.541 -0.778 17752 6069 1 10 . 1 1 87 87 CYS CB C 184 34.453 34.453 31.938 2.515 17752 6070 1 10 . 1 1 87 87 CYS H H 184 8.869 8.869 8.247 0.622 17752 6071 1 10 . 1 1 88 88 LYS N N 185 119.231 119.231 120.114 -0.883 17752 6072 1 10 . 1 1 88 88 LYS HA H 185 4.650 4.650 4.637 0.013 17752 6073 1 10 . 1 1 88 88 LYS C C 185 172.274 172.274 174.161 -1.887 17752 6074 1 10 . 1 1 88 88 LYS CA C 185 53.192 53.192 53.151 0.041 17752 6075 1 10 . 1 1 88 88 LYS CB C 185 33.530 33.530 32.535 0.995 17752 6076 1 10 . 1 1 88 88 LYS H H 185 8.680 8.680 7.927 0.753 17752 6077 1 10 . 1 1 89 89 PRO HA H 186 4.874 4.874 4.226 0.648 17752 6078 1 10 . 1 1 89 89 PRO C C 186 177.163 177.163 177.119 0.044 17752 6079 1 10 . 1 1 89 89 PRO CA C 186 60.867 60.867 62.147 -1.280 17752 6080 1 10 . 1 1 89 89 PRO CB C 186 31.041 31.041 32.538 -1.497 17752 6081 1 10 . 1 1 90 90 ASP N N 187 121.615 121.615 119.303 2.312 17752 6082 1 10 . 1 1 90 90 ASP HA H 187 4.571 4.571 4.258 0.312 17752 6083 1 10 . 1 1 90 90 ASP C C 187 176.587 176.587 176.375 0.212 17752 6084 1 10 . 1 1 90 90 ASP CA C 187 56.898 56.898 56.264 0.634 17752 6085 1 10 . 1 1 90 90 ASP CB C 187 40.161 40.161 41.017 -0.855 17752 6086 1 10 . 1 1 90 90 ASP H H 187 8.377 8.377 8.614 -0.237 17752 6087 1 10 . 1 1 91 91 HIS N N 188 115.767 115.767 116.322 -0.555 17752 6088 1 10 . 1 1 91 91 HIS HA H 188 4.487 4.487 4.575 -0.088 17752 6089 1 10 . 1 1 91 91 HIS C C 188 174.877 174.877 174.448 0.429 17752 6090 1 10 . 1 1 91 91 HIS CA C 188 56.060 56.060 55.931 0.129 17752 6091 1 10 . 1 1 91 91 HIS CB C 188 29.064 29.064 29.325 -0.261 17752 6092 1 10 . 1 1 91 91 HIS H H 188 8.020 8.020 8.547 -0.527 17752 6093 1 10 . 1 1 92 92 GLY N N 189 108.492 108.492 105.906 2.586 17752 6094 1 10 . 1 1 92 92 GLY C C 189 171.977 171.977 171.602 0.375 17752 6095 1 10 . 1 1 92 92 GLY CA C 189 44.356 44.356 45.289 -0.934 17752 6096 1 10 . 1 1 92 92 GLY H H 189 7.648 7.648 7.320 0.328 17752 6097 1 10 . 1 1 93 93 TYR N N 190 120.823 120.823 116.186 4.637 17752 6098 1 10 . 1 1 93 93 TYR HA H 190 4.589 4.589 4.684 -0.095 17752 6099 1 10 . 1 1 93 93 TYR C C 190 174.685 174.685 174.548 0.137 17752 6100 1 10 . 1 1 93 93 TYR CA C 190 55.924 55.924 57.052 -1.128 17752 6101 1 10 . 1 1 93 93 TYR CB C 190 40.462 40.462 41.598 -1.136 17752 6102 1 10 . 1 1 93 93 TYR H H 190 8.265 8.265 7.968 0.297 17752 6103 1 10 . 1 1 94 94 TRP N N 191 117.501 117.501 123.065 -5.564 17752 6104 1 10 . 1 1 94 94 TRP HA H 191 4.399 4.399 4.378 0.021 17752 6105 1 10 . 1 1 94 94 TRP C C 191 178.522 178.522 176.493 2.029 17752 6106 1 10 . 1 1 94 94 TRP CA C 191 57.620 57.620 59.321 -1.701 17752 6107 1 10 . 1 1 94 94 TRP CB C 191 30.530 30.530 29.351 1.179 17752 6108 1 10 . 1 1 94 94 TRP H H 191 7.637 7.637 8.720 -1.083 17752 6109 1 10 . 1 1 95 95 SER N N 192 117.327 117.327 119.821 -2.494 17752 6110 1 10 . 1 1 95 95 SER HA H 192 4.314 4.314 4.493 -0.179 17752 6111 1 10 . 1 1 95 95 SER C C 192 173.924 173.924 173.631 0.293 17752 6112 1 10 . 1 1 95 95 SER CA C 192 57.840 57.840 57.424 0.416 17752 6113 1 10 . 1 1 95 95 SER CB C 192 67.312 67.312 64.827 2.485 17752 6114 1 10 . 1 1 95 95 SER H H 192 9.755 9.755 8.464 1.291 17752 6115 1 10 . 1 1 96 96 ALA N N 193 120.747 120.747 123.563 -2.816 17752 6116 1 10 . 1 1 96 96 ALA HA H 193 4.134 4.134 4.131 0.003 17752 6117 1 10 . 1 1 96 96 ALA C C 193 178.311 178.311 175.859 2.452 17752 6118 1 10 . 1 1 96 96 ALA CA C 193 52.387 52.387 52.384 0.003 17752 6119 1 10 . 1 1 96 96 ALA CB C 193 18.821 18.821 18.412 0.409 17752 6120 1 10 . 1 1 96 96 ALA H H 193 8.824 8.824 7.658 1.166 17752 6121 1 10 . 1 1 97 97 TRP N N 194 120.634 120.634 120.092 0.542 17752 6122 1 10 . 1 1 97 97 TRP HA H 194 4.314 4.314 4.704 -0.390 17752 6123 1 10 . 1 1 97 97 TRP C C 194 177.944 177.944 176.226 1.718 17752 6124 1 10 . 1 1 97 97 TRP CA C 194 57.825 57.825 56.083 1.742 17752 6125 1 10 . 1 1 97 97 TRP CB C 194 29.702 29.702 28.319 1.383 17752 6126 1 10 . 1 1 97 97 TRP H H 194 8.118 8.118 8.483 -0.365 17752 6127 1 10 . 1 1 98 98 SER N N 195 118.649 118.649 117.896 0.753 17752 6128 1 10 . 1 1 98 98 SER HA H 195 4.372 4.372 4.433 -0.061 17752 6129 1 10 . 1 1 98 98 SER C C 195 170.132 170.132 173.774 -3.642 17752 6130 1 10 . 1 1 98 98 SER CA C 195 57.851 57.851 59.275 -1.424 17752 6131 1 10 . 1 1 98 98 SER CB C 195 62.213 62.213 62.642 -0.429 17752 6132 1 10 . 1 1 98 98 SER H H 195 9.327 9.327 8.075 1.252 17752 6133 1 10 . 1 1 99 99 PRO HA H 196 4.585 4.585 4.489 0.096 17752 6134 1 10 . 1 1 99 99 PRO C C 196 178.242 178.242 174.843 3.399 17752 6135 1 10 . 1 1 99 99 PRO CA C 196 63.403 63.403 62.704 0.699 17752 6136 1 10 . 1 1 99 99 PRO CB C 196 31.405 31.405 32.510 -1.105 17752 6137 1 10 . 1 1 100 100 ALA N N 197 127.219 127.219 125.311 1.908 17752 6138 1 10 . 1 1 100 100 ALA HA H 197 4.680 4.680 4.792 -0.112 17752 6139 1 10 . 1 1 100 100 ALA C C 197 178.043 178.043 176.149 1.894 17752 6140 1 10 . 1 1 100 100 ALA CA C 197 52.309 52.309 51.062 1.247 17752 6141 1 10 . 1 1 100 100 ALA CB C 197 18.973 18.973 21.674 -2.701 17752 6142 1 10 . 1 1 100 100 ALA H H 197 9.001 9.001 8.197 0.804 17752 6143 1 10 . 1 1 101 101 THR N N 198 118.178 118.178 120.662 -2.484 17752 6144 1 10 . 1 1 101 101 THR HA H 198 4.598 4.598 4.794 -0.196 17752 6145 1 10 . 1 1 101 101 THR C C 198 172.242 172.242 173.426 -1.184 17752 6146 1 10 . 1 1 101 101 THR CA C 198 61.440 61.440 61.637 -0.197 17752 6147 1 10 . 1 1 101 101 THR CB C 198 70.945 70.945 70.319 0.626 17752 6148 1 10 . 1 1 101 101 THR H H 198 8.617 8.617 8.973 -0.356 17752 6149 1 10 . 1 1 102 102 PHE N N 199 123.141 123.141 125.062 -1.921 17752 6150 1 10 . 1 1 102 102 PHE HA H 199 5.867 5.867 5.271 0.596 17752 6151 1 10 . 1 1 102 102 PHE C C 199 175.273 175.273 175.873 -0.600 17752 6152 1 10 . 1 1 102 102 PHE CA C 199 55.877 55.877 57.583 -1.706 17752 6153 1 10 . 1 1 102 102 PHE CB C 199 42.052 42.052 40.868 1.184 17752 6154 1 10 . 1 1 102 102 PHE H H 199 8.419 8.419 8.911 -0.492 17752 6155 1 10 . 1 1 103 103 ILE N N 200 118.251 118.251 123.792 -5.541 17752 6156 1 10 . 1 1 103 103 ILE HA H 200 4.674 4.674 4.579 0.095 17752 6157 1 10 . 1 1 103 103 ILE C C 200 171.732 171.732 174.035 -2.303 17752 6158 1 10 . 1 1 103 103 ILE CA C 200 58.046 58.046 59.603 -1.557 17752 6159 1 10 . 1 1 103 103 ILE CB C 200 41.631 41.631 42.693 -1.062 17752 6160 1 10 . 1 1 103 103 ILE H H 200 8.940 8.940 9.309 -0.369 17752 6161 1 10 . 1 1 104 104 GLN N N 201 127.961 127.961 128.177 -0.216 17752 6162 1 10 . 1 1 104 104 GLN HA H 201 4.592 4.592 4.495 0.097 17752 6163 1 10 . 1 1 104 104 GLN C C 201 174.363 174.363 174.984 -0.621 17752 6164 1 10 . 1 1 104 104 GLN CA C 201 54.484 54.484 54.111 0.373 17752 6165 1 10 . 1 1 104 104 GLN CB C 201 29.320 29.320 29.538 -0.218 17752 6166 1 10 . 1 1 104 104 GLN H H 201 8.641 8.641 8.576 0.065 17752 6167 1 10 . 1 1 105 105 ILE N N 202 129.177 129.177 128.650 0.527 17752 6168 1 10 . 1 1 105 105 ILE HA H 202 4.406 4.406 4.344 0.062 17752 6169 1 10 . 1 1 105 105 ILE C C 202 175.609 175.609 175.050 0.559 17752 6170 1 10 . 1 1 105 105 ILE CA C 202 56.023 56.023 57.701 -1.678 17752 6171 1 10 . 1 1 105 105 ILE CB C 202 35.689 35.689 37.244 -1.555 17752 6172 1 10 . 1 1 105 105 ILE H H 202 8.676 8.676 8.812 -0.136 17752 6173 1 10 . 1 1 106 106 PRO HA H 203 4.578 4.578 4.630 -0.052 17752 6174 1 10 . 1 1 106 106 PRO CB C 203 33.030 33.030 32.601 0.429 17752 6175 1 10 . 1 1 107 107 SER N N 204 115.204 115.204 114.657 0.547 17752 6176 1 10 . 1 1 107 107 SER HA H 204 4.108 4.108 4.362 -0.254 17752 6177 1 10 . 1 1 107 107 SER C C 204 173.757 173.757 174.935 -1.178 17752 6178 1 10 . 1 1 107 107 SER CA C 204 60.355 60.355 60.695 -0.340 17752 6179 1 10 . 1 1 107 107 SER CB C 204 63.094 63.094 63.169 -0.075 17752 6180 1 10 . 1 1 107 107 SER H H 204 7.914 7.914 8.725 -0.811 17752 6181 1 10 . 1 1 108 108 ASP N N 205 118.737 118.737 119.131 -0.394 17752 6182 1 10 . 1 1 108 108 ASP HA H 205 4.659 4.659 4.694 -0.035 17752 6183 1 10 . 1 1 108 108 ASP C C 205 175.704 175.704 177.076 -1.372 17752 6184 1 10 . 1 1 108 108 ASP CA C 205 53.229 53.229 54.219 -0.991 17752 6185 1 10 . 1 1 108 108 ASP CB C 205 40.152 40.152 39.852 0.300 17752 6186 1 10 . 1 1 108 108 ASP H H 205 8.244 8.244 8.563 -0.319 17752 6187 1 10 . 1 1 109 109 PHE N N 206 120.285 120.285 122.034 -1.749 17752 6188 1 10 . 1 1 109 109 PHE HA H 206 4.411 4.411 4.672 -0.261 17752 6189 1 10 . 1 1 109 109 PHE C C 206 174.781 174.781 175.022 -0.241 17752 6190 1 10 . 1 1 109 109 PHE CA C 206 58.706 58.706 60.377 -1.671 17752 6191 1 10 . 1 1 109 109 PHE CB C 206 40.075 40.075 39.853 0.222 17752 6192 1 10 . 1 1 109 109 PHE H H 206 7.595 7.595 7.487 0.108 17752 6193 1 10 . 1 1 110 110 THR N N 207 115.253 115.253 112.372 2.881 17752 6194 1 10 . 1 1 110 110 THR HA H 207 4.294 4.294 4.056 0.238 17752 6195 1 10 . 1 1 110 110 THR C C 207 173.714 173.714 173.406 0.308 17752 6196 1 10 . 1 1 110 110 THR CA C 207 61.742 61.742 63.359 -1.617 17752 6197 1 10 . 1 1 110 110 THR CB C 207 70.070 70.070 69.214 0.856 17752 6198 1 10 . 1 1 110 110 THR H H 207 7.812 7.812 7.767 0.045 17752 6199 1 10 . 1 1 111 111 MET N N 208 122.575 122.575 121.362 1.213 17752 6200 1 10 . 1 1 111 111 MET HA H 208 4.555 4.555 4.170 0.385 17752 6201 1 10 . 1 1 111 111 MET C C 208 175.656 175.656 176.350 -0.694 17752 6202 1 10 . 1 1 111 111 MET CA C 208 55.451 55.451 55.731 -0.280 17752 6203 1 10 . 1 1 111 111 MET CB C 208 33.175 33.175 32.808 0.367 17752 6204 1 10 . 1 1 111 111 MET H H 208 8.391 8.391 8.333 0.058 17752 6205 1 10 . 1 1 112 112 ASN N N 209 120.351 120.351 123.098 -2.747 17752 6206 1 10 . 1 1 112 112 ASN HA H 209 4.785 4.785 4.568 0.217 17752 6207 1 10 . 1 1 112 112 ASN C C 209 173.846 173.846 174.667 -0.821 17752 6208 1 10 . 1 1 112 112 ASN CA C 209 53.341 53.341 54.050 -0.709 17752 6209 1 10 . 1 1 112 112 ASN CB C 209 39.600 39.600 39.438 0.162 17752 6210 1 10 . 1 1 112 112 ASN H H 209 8.442 8.442 8.414 0.028 17752 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 97 3.393 1.371 3.120 17752 2 1 1 "Average Difference" HA 114 0.348 -0.031 0.348 17752 3 1 1 "Average Difference" C 108 1.114 0.177 1.105 17752 4 1 1 "Average Difference" CA 108 1.115 -0.055 1.118 17752 5 1 1 "Average Difference" CB 105 1.310 -0.263 1.289 17752 6 1 1 "Average Difference" HN 97 0.486 0.017 0.488 17752 7 1 2 "Average Difference" N 97 3.349 1.007 3.210 17752 8 1 2 "Average Difference" HA 114 0.326 -0.052 0.323 17752 9 1 2 "Average Difference" C 108 1.150 0.217 1.134 17752 10 1 2 "Average Difference" CA 108 1.172 0.055 1.176 17752 11 1 2 "Average Difference" CB 105 1.376 -0.385 1.327 17752 12 1 2 "Average Difference" HN 97 0.486 0.042 0.487 17752 13 1 3 "Average Difference" N 97 3.669 1.456 3.386 17752 14 1 3 "Average Difference" HA 114 0.333 -0.057 0.330 17752 15 1 3 "Average Difference" C 108 1.171 0.274 1.144 17752 16 1 3 "Average Difference" CA 108 1.055 0.075 1.058 17752 17 1 3 "Average Difference" CB 105 1.382 -0.403 1.328 17752 18 1 3 "Average Difference" HN 97 0.520 0.048 0.521 17752 19 1 4 "Average Difference" N 97 3.440 1.496 3.114 17752 20 1 4 "Average Difference" HA 114 0.333 -0.073 0.327 17752 21 1 4 "Average Difference" C 108 1.100 0.141 1.096 17752 22 1 4 "Average Difference" CA 108 1.108 0.010 1.113 17752 23 1 4 "Average Difference" CB 105 1.334 -0.402 1.278 17752 24 1 4 "Average Difference" HN 97 0.529 0.033 0.531 17752 25 1 5 "Average Difference" N 97 3.186 1.346 2.902 17752 26 1 5 "Average Difference" HA 114 0.328 -0.013 0.329 17752 27 1 5 "Average Difference" C 108 1.129 0.259 1.104 17752 28 1 5 "Average Difference" CA 108 1.070 -0.065 1.073 17752 29 1 5 "Average Difference" CB 105 1.289 -0.302 1.260 17752 30 1 5 "Average Difference" HN 97 0.492 0.054 0.492 17752 31 1 6 "Average Difference" N 97 3.510 1.018 3.377 17752 32 1 6 "Average Difference" HA 114 0.308 -0.024 0.309 17752 33 1 6 "Average Difference" C 108 1.132 0.198 1.119 17752 34 1 6 "Average Difference" CA 108 0.982 -0.077 0.983 17752 35 1 6 "Average Difference" CB 105 1.440 -0.293 1.417 17752 36 1 6 "Average Difference" HN 97 0.485 0.068 0.483 17752 37 1 7 "Average Difference" N 97 3.531 1.293 3.303 17752 38 1 7 "Average Difference" HA 114 0.346 -0.044 0.345 17752 39 1 7 "Average Difference" C 108 1.126 0.205 1.112 17752 40 1 7 "Average Difference" CA 108 1.140 0.052 1.144 17752 41 1 7 "Average Difference" CB 105 1.284 -0.389 1.229 17752 42 1 7 "Average Difference" HN 97 0.487 0.010 0.489 17752 43 1 8 "Average Difference" N 97 3.267 1.587 2.871 17752 44 1 8 "Average Difference" HA 114 0.314 -0.081 0.305 17752 45 1 8 "Average Difference" C 108 1.064 0.222 1.045 17752 46 1 8 "Average Difference" CA 108 0.928 0.065 0.930 17752 47 1 8 "Average Difference" CB 105 1.316 -0.487 1.228 17752 48 1 8 "Average Difference" HN 97 0.472 0.022 0.474 17752 49 1 9 "Average Difference" N 97 3.289 1.457 2.964 17752 50 1 9 "Average Difference" HA 114 0.313 -0.023 0.313 17752 51 1 9 "Average Difference" C 108 1.092 0.168 1.084 17752 52 1 9 "Average Difference" CA 108 1.039 -0.027 1.043 17752 53 1 9 "Average Difference" CB 105 1.362 -0.358 1.320 17752 54 1 9 "Average Difference" HN 97 0.471 0.034 0.472 17752 55 1 10 "Average Difference" N 97 3.270 1.430 2.956 17752 56 1 10 "Average Difference" HA 114 0.298 -0.034 0.297 17752 57 1 10 "Average Difference" C 108 1.061 0.190 1.048 17752 58 1 10 "Average Difference" CA 108 1.053 0.033 1.057 17752 59 1 10 "Average Difference" CB 105 1.258 -0.365 1.209 17752 60 1 10 "Average Difference" HN 97 0.493 0.069 0.490 17752 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 17752 _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 TYR HA H 99 4.624 4.624 4.791 -0.167 17752 2 1 . 1 1 2 2 TYR C C 99 174.994 174.994 174.824 0.170 17752 3 1 . 1 1 2 2 TYR CA C 99 57.524 57.524 57.642 -0.118 17752 4 1 . 1 1 2 2 TYR CB C 99 38.543 38.543 39.903 -1.360 17752 5 1 . 1 1 3 3 ILE N N 100 124.242 124.242 123.733 0.509 17752 6 1 . 1 1 3 3 ILE HA H 100 4.058 4.058 3.950 0.108 17752 7 1 . 1 1 3 3 ILE C C 100 174.994 174.994 174.433 0.561 17752 8 1 . 1 1 3 3 ILE CA C 100 60.621 60.621 61.639 -1.018 17752 9 1 . 1 1 3 3 ILE CB C 100 38.685 38.685 37.509 1.176 17752 10 1 . 1 1 3 3 ILE H H 100 8.034 8.034 7.924 0.110 17752 11 1 . 1 1 4 4 VAL N N 101 123.770 123.770 123.826 -0.056 17752 12 1 . 1 1 4 4 VAL HA H 101 4.024 4.024 4.176 -0.152 17752 13 1 . 1 1 4 4 VAL C C 101 174.457 174.457 174.622 -0.165 17752 14 1 . 1 1 4 4 VAL CA C 101 62.142 62.142 60.872 1.270 17752 15 1 . 1 1 4 4 VAL CB C 101 32.961 32.961 33.882 -0.921 17752 16 1 . 1 1 4 4 VAL H H 101 7.858 7.858 7.737 0.121 17752 17 1 . 1 1 5 5 GLN N N 102 124.937 124.937 125.970 -1.033 17752 18 1 . 1 1 5 5 GLN HA H 102 4.859 4.859 4.684 0.175 17752 19 1 . 1 1 5 5 GLN C C 102 173.189 173.189 174.178 -0.989 17752 20 1 . 1 1 5 5 GLN CA C 102 52.458 52.458 52.992 -0.534 17752 21 1 . 1 1 5 5 GLN CB C 102 30.185 30.185 28.793 1.392 17752 22 1 . 1 1 5 5 GLN H H 102 8.269 8.269 8.420 -0.151 17752 23 1 . 1 1 6 6 PRO HA H 103 4.533 4.533 4.418 0.115 17752 24 1 . 1 1 6 6 PRO C C 103 175.646 175.646 175.914 -0.268 17752 25 1 . 1 1 6 6 PRO CA C 103 62.290 62.290 63.793 -1.503 17752 26 1 . 1 1 6 6 PRO CB C 103 31.983 31.983 32.121 -0.139 17752 27 1 . 1 1 7 7 ASP N N 104 120.340 120.340 119.388 0.952 17752 28 1 . 1 1 7 7 ASP HA H 104 4.851 4.851 4.886 -0.035 17752 29 1 . 1 1 7 7 ASP C C 104 171.565 171.565 174.065 -2.500 17752 30 1 . 1 1 7 7 ASP CA C 104 53.742 53.742 51.473 2.269 17752 31 1 . 1 1 7 7 ASP CB C 104 40.258 40.258 41.717 -1.459 17752 32 1 . 1 1 7 7 ASP H H 104 7.897 7.897 8.150 -0.253 17752 33 1 . 1 1 9 9 PRO HA H 106 4.332 4.332 4.592 -0.260 17752 34 1 . 1 1 9 9 PRO C C 106 174.091 174.091 176.479 -2.388 17752 35 1 . 1 1 9 9 PRO CA C 106 62.569 62.569 62.963 -0.394 17752 36 1 . 1 1 9 9 PRO CB C 106 32.391 32.391 32.250 0.141 17752 37 1 . 1 1 10 10 LEU N N 107 118.910 118.910 119.534 -0.624 17752 38 1 . 1 1 10 10 LEU HA H 107 4.642 4.642 4.862 -0.220 17752 39 1 . 1 1 10 10 LEU C C 107 175.964 175.964 176.215 -0.251 17752 40 1 . 1 1 10 10 LEU CA C 107 53.919 53.919 53.200 0.719 17752 41 1 . 1 1 10 10 LEU CB C 107 46.315 46.315 44.053 2.262 17752 42 1 . 1 1 10 10 LEU H H 107 7.793 7.793 8.427 -0.634 17752 43 1 . 1 1 11 11 GLU N N 108 113.307 113.307 116.065 -2.758 17752 44 1 . 1 1 11 11 GLU HA H 108 3.805 3.805 3.963 -0.158 17752 45 1 . 1 1 11 11 GLU C C 108 175.118 175.118 175.269 -0.151 17752 46 1 . 1 1 11 11 GLU CA C 108 56.418 56.418 57.062 -0.644 17752 47 1 . 1 1 11 11 GLU CB C 108 27.789 27.789 27.860 -0.071 17752 48 1 . 1 1 11 11 GLU H H 108 8.539 8.539 8.714 -0.175 17752 49 1 . 1 1 12 12 LEU N N 109 120.420 120.420 121.095 -0.675 17752 50 1 . 1 1 12 12 LEU HA H 109 4.903 4.903 4.470 0.433 17752 51 1 . 1 1 12 12 LEU C C 109 176.238 176.238 175.919 0.319 17752 52 1 . 1 1 12 12 LEU CA C 109 56.228 56.228 55.002 1.226 17752 53 1 . 1 1 12 12 LEU CB C 109 42.021 42.021 41.890 0.131 17752 54 1 . 1 1 12 12 LEU H H 109 8.053 8.053 7.972 0.081 17752 55 1 . 1 1 13 13 ALA N N 110 132.286 132.286 131.602 0.684 17752 56 1 . 1 1 13 13 ALA HA H 110 4.833 4.833 4.782 0.051 17752 57 1 . 1 1 13 13 ALA C C 110 175.560 175.560 175.406 0.154 17752 58 1 . 1 1 13 13 ALA CA C 110 51.152 51.152 50.948 0.204 17752 59 1 . 1 1 13 13 ALA CB C 110 21.788 21.788 20.755 1.033 17752 60 1 . 1 1 13 13 ALA H H 110 9.653 9.653 9.004 0.649 17752 61 1 . 1 1 14 14 VAL N N 111 116.305 116.305 124.526 -8.221 17752 62 1 . 1 1 14 14 VAL HA H 111 5.293 5.293 4.779 0.514 17752 63 1 . 1 1 14 14 VAL C C 111 174.459 174.459 175.352 -0.893 17752 64 1 . 1 1 14 14 VAL CA C 111 59.146 59.146 61.131 -1.985 17752 65 1 . 1 1 14 14 VAL CB C 111 35.256 35.256 33.564 1.692 17752 66 1 . 1 1 14 14 VAL H H 111 8.477 8.477 8.578 -0.101 17752 67 1 . 1 1 15 15 GLU N N 112 122.235 122.235 127.658 -5.423 17752 68 1 . 1 1 15 15 GLU HA H 112 4.659 4.659 4.728 -0.069 17752 69 1 . 1 1 15 15 GLU C C 112 174.581 174.581 174.321 0.259 17752 70 1 . 1 1 15 15 GLU CA C 112 55.224 55.224 54.272 0.952 17752 71 1 . 1 1 15 15 GLU CB C 112 34.744 34.744 33.657 1.087 17752 72 1 . 1 1 15 15 GLU H H 112 8.947 8.947 8.889 0.058 17752 73 1 . 1 1 16 16 VAL N N 113 124.568 124.568 124.255 0.313 17752 74 1 . 1 1 16 16 VAL HA H 113 4.441 4.441 4.294 0.147 17752 75 1 . 1 1 16 16 VAL C C 113 175.480 175.480 175.143 0.337 17752 76 1 . 1 1 16 16 VAL CA C 113 62.281 62.281 61.839 0.442 17752 77 1 . 1 1 16 16 VAL CB C 113 31.565 31.565 33.011 -1.446 17752 78 1 . 1 1 16 16 VAL H H 113 9.044 9.044 8.656 0.388 17752 79 1 . 1 1 17 17 LYS N N 114 128.676 128.676 129.201 -0.525 17752 80 1 . 1 1 17 17 LYS HA H 114 4.403 4.403 4.494 -0.091 17752 81 1 . 1 1 17 17 LYS C C 114 174.547 174.547 174.742 -0.195 17752 82 1 . 1 1 17 17 LYS CA C 114 53.518 53.518 54.059 -0.541 17752 83 1 . 1 1 17 17 LYS CB C 114 32.995 32.995 33.293 -0.298 17752 84 1 . 1 1 17 17 LYS H H 114 8.788 8.788 8.853 -0.065 17752 85 1 . 1 1 18 18 GLN N N 115 119.854 119.854 123.799 -3.945 17752 86 1 . 1 1 18 18 GLN HA H 115 4.691 4.691 4.554 0.137 17752 87 1 . 1 1 18 18 GLN C C 115 172.587 172.587 174.009 -1.422 17752 88 1 . 1 1 18 18 GLN CA C 115 52.787 52.787 53.629 -0.842 17752 89 1 . 1 1 18 18 GLN CB C 115 30.109 30.109 29.277 0.832 17752 90 1 . 1 1 18 18 GLN H H 115 8.537 8.537 8.633 -0.096 17752 91 1 . 1 1 19 19 PRO HA H 116 4.526 4.526 4.444 0.082 17752 92 1 . 1 1 19 19 PRO C C 116 176.958 176.958 176.351 0.608 17752 93 1 . 1 1 19 19 PRO CA C 116 62.106 62.106 62.604 -0.498 17752 94 1 . 1 1 19 19 PRO CB C 116 32.375 32.375 32.262 0.113 17752 95 1 . 1 1 20 20 GLU N N 117 119.774 119.774 118.980 0.794 17752 96 1 . 1 1 20 20 GLU HA H 117 4.079 4.079 4.079 -0.000 17752 97 1 . 1 1 20 20 GLU C C 117 176.961 176.961 176.650 0.311 17752 98 1 . 1 1 20 20 GLU CA C 117 58.256 58.256 57.683 0.573 17752 99 1 . 1 1 20 20 GLU CB C 117 29.653 29.653 29.714 -0.061 17752 100 1 . 1 1 20 20 GLU H H 117 8.806 8.806 8.362 0.444 17752 101 1 . 1 1 21 21 ASP N N 118 116.513 116.513 119.310 -2.797 17752 102 1 . 1 1 21 21 ASP HA H 118 4.482 4.482 4.513 -0.031 17752 103 1 . 1 1 21 21 ASP C C 118 175.271 175.271 176.505 -1.234 17752 104 1 . 1 1 21 21 ASP CA C 118 54.231 54.231 55.120 -0.889 17752 105 1 . 1 1 21 21 ASP CB C 118 40.460 40.460 40.936 -0.476 17752 106 1 . 1 1 21 21 ASP H H 118 8.449 8.449 8.318 0.131 17752 107 1 . 1 1 22 22 ARG N N 119 115.342 115.342 120.052 -4.710 17752 108 1 . 1 1 22 22 ARG HA H 119 4.491 4.491 4.382 0.109 17752 109 1 . 1 1 22 22 ARG C C 119 174.745 174.745 175.464 -0.719 17752 110 1 . 1 1 22 22 ARG CA C 119 54.806 54.806 55.391 -0.585 17752 111 1 . 1 1 22 22 ARG CB C 119 32.004 32.004 31.277 0.727 17752 112 1 . 1 1 22 22 ARG H H 119 7.448 7.448 7.795 -0.347 17752 113 1 . 1 1 23 23 LYS N N 120 119.981 119.981 120.832 -0.851 17752 114 1 . 1 1 23 23 LYS HA H 120 4.489 4.489 4.324 0.165 17752 115 1 . 1 1 23 23 LYS C C 120 173.641 173.641 174.993 -1.352 17752 116 1 . 1 1 23 23 LYS CA C 120 54.621 54.621 55.065 -0.444 17752 117 1 . 1 1 23 23 LYS CB C 120 31.611 31.611 31.728 -0.117 17752 118 1 . 1 1 23 23 LYS H H 120 7.982 7.982 8.127 -0.145 17752 119 1 . 1 1 24 24 PRO HA H 121 4.813 4.813 4.499 0.314 17752 120 1 . 1 1 24 24 PRO C C 121 174.901 174.901 175.446 -0.545 17752 121 1 . 1 1 24 24 PRO CA C 121 62.720 62.720 62.725 -0.005 17752 122 1 . 1 1 24 24 PRO CB C 121 33.066 33.066 31.854 1.212 17752 123 1 . 1 1 25 25 TYR N N 122 111.573 111.573 118.287 -6.714 17752 124 1 . 1 1 25 25 TYR HA H 122 5.134 5.134 5.291 -0.157 17752 125 1 . 1 1 25 25 TYR C C 122 172.672 172.672 173.215 -0.543 17752 126 1 . 1 1 25 25 TYR CA C 122 55.650 55.650 55.734 -0.084 17752 127 1 . 1 1 25 25 TYR CB C 122 40.394 40.394 40.902 -0.508 17752 128 1 . 1 1 25 25 TYR H H 122 8.287 8.287 8.601 -0.314 17752 129 1 . 1 1 26 26 LEU N N 123 120.288 120.288 121.660 -1.371 17752 130 1 . 1 1 26 26 LEU HA H 123 4.907 4.907 4.701 0.206 17752 131 1 . 1 1 26 26 LEU C C 123 174.277 174.277 175.417 -1.140 17752 132 1 . 1 1 26 26 LEU CA C 123 53.789 53.789 54.439 -0.650 17752 133 1 . 1 1 26 26 LEU CB C 123 44.717 44.717 44.505 0.212 17752 134 1 . 1 1 26 26 LEU H H 123 9.073 9.073 8.738 0.335 17752 135 1 . 1 1 27 27 TRP N N 124 130.187 130.187 131.229 -1.042 17752 136 1 . 1 1 27 27 TRP HA H 124 5.555 5.555 5.403 0.152 17752 137 1 . 1 1 27 27 TRP C C 124 173.810 173.810 174.468 -0.658 17752 138 1 . 1 1 27 27 TRP CA C 124 55.161 55.161 54.510 0.651 17752 139 1 . 1 1 27 27 TRP CB C 124 31.383 31.383 30.603 0.780 17752 140 1 . 1 1 27 27 TRP H H 124 9.628 9.628 9.429 0.199 17752 141 1 . 1 1 28 28 ILE N N 125 128.941 128.941 129.904 -0.963 17752 142 1 . 1 1 28 28 ILE HA H 125 4.814 4.814 4.554 0.260 17752 143 1 . 1 1 28 28 ILE C C 125 173.004 173.004 174.032 -1.028 17752 144 1 . 1 1 28 28 ILE CA C 125 60.152 60.152 60.370 -0.218 17752 145 1 . 1 1 28 28 ILE CB C 125 41.018 41.018 38.938 2.079 17752 146 1 . 1 1 28 28 ILE H H 125 8.867 8.867 9.301 -0.434 17752 147 1 . 1 1 29 29 LYS N N 126 124.705 124.705 127.176 -2.471 17752 148 1 . 1 1 29 29 LYS HA H 126 4.553 4.553 4.546 0.007 17752 149 1 . 1 1 29 29 LYS C C 126 173.764 173.764 174.393 -0.629 17752 150 1 . 1 1 29 29 LYS CA C 126 55.137 55.137 54.088 1.049 17752 151 1 . 1 1 29 29 LYS CB C 126 35.952 35.952 35.628 0.324 17752 152 1 . 1 1 29 29 LYS H H 126 8.789 8.789 8.701 0.088 17752 153 1 . 1 1 30 30 TRP N N 127 118.127 118.127 124.018 -5.891 17752 154 1 . 1 1 30 30 TRP HA H 127 5.010 5.010 5.475 -0.465 17752 155 1 . 1 1 30 30 TRP C C 127 173.354 173.354 174.831 -1.477 17752 156 1 . 1 1 30 30 TRP CA C 127 57.079 57.079 54.253 2.826 17752 157 1 . 1 1 30 30 TRP CB C 127 29.480 29.480 31.399 -1.919 17752 158 1 . 1 1 30 30 TRP H H 127 7.408 7.408 7.192 0.216 17752 159 1 . 1 1 31 31 SER N N 128 113.791 113.791 117.128 -3.337 17752 160 1 . 1 1 31 31 SER HA H 128 5.137 5.137 4.873 0.264 17752 161 1 . 1 1 31 31 SER C C 128 171.258 171.258 172.866 -1.608 17752 162 1 . 1 1 31 31 SER CA C 128 55.299 55.299 55.311 -0.012 17752 163 1 . 1 1 31 31 SER CB C 128 63.849 63.849 63.999 -0.150 17752 164 1 . 1 1 31 31 SER H H 128 8.972 8.972 8.982 -0.010 17752 165 1 . 1 1 32 32 PRO HA H 129 4.953 4.953 4.770 0.183 17752 166 1 . 1 1 33 33 PRO HA H 130 4.515 4.515 4.428 0.087 17752 167 1 . 1 1 33 33 PRO C C 130 176.322 176.322 177.317 -0.995 17752 168 1 . 1 1 33 33 PRO CA C 130 62.668 62.668 63.371 -0.703 17752 169 1 . 1 1 33 33 PRO CB C 130 32.077 32.077 32.001 0.076 17752 170 1 . 1 1 34 34 THR N N 131 113.844 113.844 115.401 -1.557 17752 171 1 . 1 1 34 34 THR HA H 131 4.147 4.147 4.175 -0.028 17752 172 1 . 1 1 34 34 THR C C 131 174.576 174.576 175.107 -0.531 17752 173 1 . 1 1 34 34 THR CA C 131 62.833 62.833 64.084 -1.251 17752 174 1 . 1 1 34 34 THR CB C 131 69.346 69.346 69.061 0.285 17752 175 1 . 1 1 34 34 THR H H 131 8.128 8.128 8.486 -0.358 17752 176 1 . 1 1 35 35 LEU N N 132 125.831 125.831 121.133 4.698 17752 177 1 . 1 1 35 35 LEU HA H 132 4.432 4.432 4.426 0.006 17752 178 1 . 1 1 35 35 LEU C C 132 176.794 176.794 176.840 -0.046 17752 179 1 . 1 1 35 35 LEU CA C 132 54.799 54.799 54.788 0.011 17752 180 1 . 1 1 35 35 LEU CB C 132 42.344 42.344 42.108 0.236 17752 181 1 . 1 1 35 35 LEU H H 132 8.336 8.336 8.017 0.319 17752 182 1 . 1 1 36 36 ILE N N 133 121.733 121.733 119.790 1.943 17752 183 1 . 1 1 36 36 ILE HA H 133 4.070 4.070 4.030 0.040 17752 184 1 . 1 1 36 36 ILE C C 133 175.690 175.690 175.746 -0.056 17752 185 1 . 1 1 36 36 ILE CA C 133 61.695 61.695 62.156 -0.460 17752 186 1 . 1 1 36 36 ILE CB C 133 38.553 38.553 38.778 -0.225 17752 187 1 . 1 1 36 36 ILE H H 133 8.054 8.054 8.357 -0.303 17752 188 1 . 1 1 37 37 ASP N N 134 121.852 121.852 119.572 2.280 17752 189 1 . 1 1 37 37 ASP HA H 134 4.573 4.573 4.413 0.160 17752 190 1 . 1 1 37 37 ASP C C 134 176.011 176.011 175.578 0.433 17752 191 1 . 1 1 37 37 ASP CA C 134 54.346 54.346 54.707 -0.360 17752 192 1 . 1 1 37 37 ASP CB C 134 41.096 41.096 40.718 0.379 17752 193 1 . 1 1 37 37 ASP H H 134 8.254 8.254 8.329 -0.075 17752 194 1 . 1 1 38 38 LEU N N 135 122.044 122.044 121.021 1.023 17752 195 1 . 1 1 38 38 LEU HA H 135 4.225 4.225 4.385 -0.160 17752 196 1 . 1 1 38 38 LEU C C 135 177.779 177.779 177.042 0.737 17752 197 1 . 1 1 38 38 LEU CA C 135 55.748 55.748 54.757 0.991 17752 198 1 . 1 1 38 38 LEU CB C 135 42.220 42.220 42.006 0.214 17752 199 1 . 1 1 38 38 LEU H H 135 8.052 8.052 8.145 -0.093 17752 200 1 . 1 1 39 39 LYS N N 136 119.589 119.589 122.476 -2.887 17752 201 1 . 1 1 39 39 LYS HA H 136 4.225 4.225 4.334 -0.109 17752 202 1 . 1 1 39 39 LYS C C 136 177.024 177.024 176.395 0.629 17752 203 1 . 1 1 39 39 LYS CA C 136 57.161 57.161 56.772 0.389 17752 204 1 . 1 1 39 39 LYS CB C 136 32.220 32.220 32.971 -0.751 17752 205 1 . 1 1 39 39 LYS H H 136 8.295 8.295 8.302 -0.007 17752 206 1 . 1 1 40 40 THR N N 137 112.003 112.003 113.197 -1.194 17752 207 1 . 1 1 40 40 THR HA H 137 4.189 4.189 4.539 -0.350 17752 208 1 . 1 1 40 40 THR C C 137 174.914 174.914 175.124 -0.210 17752 209 1 . 1 1 40 40 THR CA C 137 62.152 62.152 61.739 0.413 17752 210 1 . 1 1 40 40 THR CB C 137 69.513 69.513 69.832 -0.319 17752 211 1 . 1 1 40 40 THR H H 137 7.787 7.787 7.969 -0.182 17752 212 1 . 1 1 41 41 GLY N N 138 109.975 109.975 112.034 -2.059 17752 213 1 . 1 1 41 41 GLY C C 138 173.470 173.470 174.347 -0.877 17752 214 1 . 1 1 41 41 GLY CA C 138 45.370 45.370 45.077 0.293 17752 215 1 . 1 1 41 41 GLY H H 138 8.017 8.017 8.441 -0.424 17752 216 1 . 1 1 42 42 TRP N N 139 119.581 119.581 121.579 -1.998 17752 217 1 . 1 1 42 42 TRP HA H 139 4.634 4.634 4.752 -0.118 17752 218 1 . 1 1 42 42 TRP C C 139 175.349 175.349 175.569 -0.220 17752 219 1 . 1 1 42 42 TRP CA C 139 56.762 56.762 57.002 -0.240 17752 220 1 . 1 1 42 42 TRP CB C 139 29.199 29.199 29.629 -0.430 17752 221 1 . 1 1 42 42 TRP H H 139 7.787 7.787 8.155 -0.367 17752 222 1 . 1 1 43 43 PHE N N 140 119.509 119.509 121.030 -1.521 17752 223 1 . 1 1 43 43 PHE HA H 140 4.675 4.675 4.617 0.058 17752 224 1 . 1 1 43 43 PHE C C 140 174.658 174.658 174.169 0.489 17752 225 1 . 1 1 43 43 PHE CA C 140 57.106 57.106 57.812 -0.706 17752 226 1 . 1 1 43 43 PHE CB C 140 40.150 40.150 39.940 0.210 17752 227 1 . 1 1 43 43 PHE H H 140 7.871 7.871 7.733 0.138 17752 228 1 . 1 1 44 44 THR N N 141 116.290 116.290 120.283 -3.993 17752 229 1 . 1 1 44 44 THR HA H 141 4.323 4.323 4.131 0.191 17752 230 1 . 1 1 44 44 THR C C 141 173.009 173.009 172.775 0.234 17752 231 1 . 1 1 44 44 THR CA C 141 61.830 61.830 60.959 0.871 17752 232 1 . 1 1 44 44 THR CB C 141 70.489 70.489 70.563 -0.074 17752 233 1 . 1 1 44 44 THR H H 141 8.380 8.380 7.817 0.563 17752 234 1 . 1 1 45 45 LEU N N 142 124.270 124.270 125.484 -1.214 17752 235 1 . 1 1 45 45 LEU HA H 142 4.519 4.519 4.251 0.268 17752 236 1 . 1 1 45 45 LEU C C 142 174.651 174.651 175.188 -0.537 17752 237 1 . 1 1 45 45 LEU CA C 142 53.847 53.847 53.934 -0.087 17752 238 1 . 1 1 45 45 LEU CB C 142 44.418 44.418 42.578 1.840 17752 239 1 . 1 1 45 45 LEU H H 142 7.972 7.972 8.306 -0.334 17752 240 1 . 1 1 46 46 LEU N N 143 120.086 120.086 125.627 -5.541 17752 241 1 . 1 1 46 46 LEU HA H 143 4.666 4.666 4.691 -0.025 17752 242 1 . 1 1 46 46 LEU C C 143 176.553 176.553 175.925 0.628 17752 243 1 . 1 1 46 46 LEU CA C 143 52.236 52.236 53.175 -0.939 17752 244 1 . 1 1 46 46 LEU CB C 143 44.725 44.725 42.670 2.055 17752 245 1 . 1 1 46 46 LEU H H 143 8.330 8.330 8.152 0.178 17752 246 1 . 1 1 47 47 TYR N N 144 115.644 115.644 121.270 -5.626 17752 247 1 . 1 1 47 47 TYR HA H 144 5.650 5.650 4.789 0.861 17752 248 1 . 1 1 47 47 TYR C C 144 175.013 175.013 174.724 0.289 17752 249 1 . 1 1 47 47 TYR CA C 144 57.301 57.301 56.341 0.960 17752 250 1 . 1 1 47 47 TYR CB C 144 43.200 43.200 40.874 2.326 17752 251 1 . 1 1 47 47 TYR H H 144 8.674 8.674 8.808 -0.134 17752 252 1 . 1 1 48 48 GLU N N 145 120.669 120.669 121.233 -0.564 17752 253 1 . 1 1 48 48 GLU HA H 145 4.835 4.835 4.639 0.196 17752 254 1 . 1 1 48 48 GLU C C 145 173.623 173.623 174.615 -0.992 17752 255 1 . 1 1 48 48 GLU CA C 145 54.810 54.810 54.699 0.111 17752 256 1 . 1 1 48 48 GLU CB C 145 35.923 35.923 33.935 1.988 17752 257 1 . 1 1 48 48 GLU H H 145 8.186 8.186 8.751 -0.565 17752 258 1 . 1 1 49 49 ILE N N 146 118.773 118.773 125.436 -6.663 17752 259 1 . 1 1 49 49 ILE HA H 146 5.069 5.069 5.052 0.017 17752 260 1 . 1 1 49 49 ILE C C 146 174.840 174.840 174.360 0.480 17752 261 1 . 1 1 49 49 ILE CA C 146 58.375 58.375 59.820 -1.445 17752 262 1 . 1 1 49 49 ILE CB C 146 42.256 42.256 40.227 2.029 17752 263 1 . 1 1 49 49 ILE H H 146 8.707 8.707 9.023 -0.316 17752 264 1 . 1 1 50 50 ARG N N 147 120.594 120.594 127.697 -7.103 17752 265 1 . 1 1 50 50 ARG HA H 147 5.882 5.882 5.340 0.542 17752 266 1 . 1 1 50 50 ARG C C 147 172.997 172.997 174.486 -1.489 17752 267 1 . 1 1 50 50 ARG CA C 147 53.454 53.454 54.136 -0.682 17752 268 1 . 1 1 50 50 ARG CB C 147 34.273 34.273 31.564 2.709 17752 269 1 . 1 1 50 50 ARG H H 147 8.922 8.922 8.764 0.158 17752 270 1 . 1 1 51 51 LEU N N 148 119.958 119.958 120.599 -0.641 17752 271 1 . 1 1 51 51 LEU HA H 148 6.200 6.200 6.041 0.159 17752 272 1 . 1 1 51 51 LEU C C 148 175.544 175.544 174.963 0.581 17752 273 1 . 1 1 51 51 LEU CA C 148 54.601 54.601 53.325 1.276 17752 274 1 . 1 1 51 51 LEU CB C 148 46.908 46.908 46.582 0.326 17752 275 1 . 1 1 51 51 LEU H H 148 9.242 9.242 9.180 0.062 17752 276 1 . 1 1 52 52 LYS N N 149 116.000 116.000 115.115 0.885 17752 277 1 . 1 1 52 52 LYS HA H 149 4.945 4.945 4.750 0.195 17752 278 1 . 1 1 52 52 LYS C C 149 172.459 172.459 173.332 -0.873 17752 279 1 . 1 1 52 52 LYS CA C 149 54.828 54.828 54.500 0.328 17752 280 1 . 1 1 52 52 LYS CB C 149 32.809 32.809 33.946 -1.137 17752 281 1 . 1 1 52 52 LYS H H 149 8.399 8.399 8.370 0.029 17752 282 1 . 1 1 53 53 PRO HA H 150 4.103 4.103 4.217 -0.114 17752 283 1 . 1 1 53 53 PRO C C 150 178.630 178.630 178.255 0.375 17752 284 1 . 1 1 53 53 PRO CA C 150 61.651 61.651 61.752 -0.102 17752 285 1 . 1 1 53 53 PRO CB C 150 31.521 31.521 32.143 -0.622 17752 286 1 . 1 1 54 54 GLU N N 151 125.100 125.100 120.385 4.715 17752 287 1 . 1 1 54 54 GLU HA H 151 3.580 3.580 3.866 -0.286 17752 288 1 . 1 1 54 54 GLU C C 151 176.912 176.912 177.175 -0.263 17752 289 1 . 1 1 54 54 GLU CA C 151 60.163 60.163 58.830 1.333 17752 290 1 . 1 1 54 54 GLU CB C 151 30.024 30.024 28.870 1.154 17752 291 1 . 1 1 54 54 GLU H H 151 8.865 8.865 8.385 0.480 17752 292 1 . 1 1 55 55 LYS N N 152 113.857 113.857 117.566 -3.709 17752 293 1 . 1 1 55 55 LYS HA H 152 4.150 4.150 4.275 -0.125 17752 294 1 . 1 1 55 55 LYS C C 152 176.530 176.530 175.462 1.068 17752 295 1 . 1 1 55 55 LYS CA C 152 56.088 56.088 55.485 0.603 17752 296 1 . 1 1 55 55 LYS CB C 152 31.681 31.681 31.963 -0.282 17752 297 1 . 1 1 55 55 LYS H H 152 8.356 8.356 7.967 0.389 17752 298 1 . 1 1 56 56 ALA N N 153 121.720 121.720 122.124 -0.404 17752 299 1 . 1 1 56 56 ALA HA H 153 4.252 4.252 4.479 -0.227 17752 300 1 . 1 1 56 56 ALA C C 153 177.098 177.098 176.816 0.282 17752 301 1 . 1 1 56 56 ALA CA C 153 51.651 51.651 51.079 0.572 17752 302 1 . 1 1 56 56 ALA CB C 153 20.289 20.289 20.162 0.127 17752 303 1 . 1 1 56 56 ALA H H 153 7.359 7.359 7.406 -0.047 17752 304 1 . 1 1 57 57 ALA HA H 154 4.171 4.171 4.170 0.001 17752 305 1 . 1 1 57 57 ALA C C 154 177.719 177.719 177.562 0.157 17752 306 1 . 1 1 57 57 ALA CA C 154 53.285 53.285 53.015 0.270 17752 307 1 . 1 1 57 57 ALA CB C 154 19.767 19.767 18.980 0.787 17752 308 1 . 1 1 58 58 GLU N N 155 115.658 115.658 117.677 -2.019 17752 309 1 . 1 1 58 58 GLU HA H 155 4.556 4.556 4.423 0.133 17752 310 1 . 1 1 58 58 GLU C C 155 174.857 174.857 174.921 -0.064 17752 311 1 . 1 1 58 58 GLU CA C 155 54.771 54.771 54.973 -0.202 17752 312 1 . 1 1 58 58 GLU CB C 155 32.247 32.247 31.129 1.118 17752 313 1 . 1 1 58 58 GLU H H 155 7.527 7.527 7.838 -0.311 17752 314 1 . 1 1 59 59 TRP N N 156 121.007 121.007 121.356 -0.349 17752 315 1 . 1 1 59 59 TRP HA H 156 4.334 4.334 4.591 -0.257 17752 316 1 . 1 1 59 59 TRP C C 156 176.227 176.227 176.188 0.039 17752 317 1 . 1 1 59 59 TRP CA C 156 56.986 56.986 56.895 0.091 17752 318 1 . 1 1 59 59 TRP CB C 156 31.064 31.064 30.682 0.382 17752 319 1 . 1 1 59 59 TRP H H 156 8.499 8.499 8.436 0.063 17752 320 1 . 1 1 60 60 GLU N N 157 123.107 123.107 123.475 -0.368 17752 321 1 . 1 1 60 60 GLU HA H 157 4.689 4.689 4.657 0.032 17752 322 1 . 1 1 60 60 GLU C C 157 174.904 174.904 175.549 -0.645 17752 323 1 . 1 1 60 60 GLU CA C 157 55.797 55.797 55.391 0.406 17752 324 1 . 1 1 60 60 GLU CB C 157 31.671 31.671 31.545 0.126 17752 325 1 . 1 1 60 60 GLU H H 157 8.930 8.930 8.959 -0.029 17752 326 1 . 1 1 61 61 ILE N N 158 124.822 124.822 127.039 -2.217 17752 327 1 . 1 1 61 61 ILE HA H 158 4.972 4.972 4.412 0.560 17752 328 1 . 1 1 61 61 ILE C C 158 175.938 175.938 175.733 0.205 17752 329 1 . 1 1 61 61 ILE CA C 158 60.029 60.029 60.658 -0.629 17752 330 1 . 1 1 61 61 ILE CB C 158 39.652 39.652 38.664 0.988 17752 331 1 . 1 1 61 61 ILE H H 158 8.371 8.371 8.759 -0.388 17752 332 1 . 1 1 62 62 HIS N N 159 125.647 125.647 126.955 -1.308 17752 333 1 . 1 1 62 62 HIS HA H 159 4.750 4.750 4.935 -0.185 17752 334 1 . 1 1 62 62 HIS C C 159 173.704 173.704 173.591 0.113 17752 335 1 . 1 1 62 62 HIS CA C 159 54.910 54.910 54.355 0.555 17752 336 1 . 1 1 62 62 HIS CB C 159 34.940 34.940 32.655 2.285 17752 337 1 . 1 1 62 62 HIS H H 159 9.326 9.326 9.396 -0.070 17752 338 1 . 1 1 63 63 PHE N N 160 124.930 124.930 125.044 -0.114 17752 339 1 . 1 1 63 63 PHE HA H 160 4.897 4.897 4.507 0.390 17752 340 1 . 1 1 63 63 PHE C C 160 174.606 174.606 175.126 -0.520 17752 341 1 . 1 1 63 63 PHE CA C 160 58.097 58.097 58.073 0.024 17752 342 1 . 1 1 63 63 PHE CB C 160 39.192 39.192 40.296 -1.104 17752 343 1 . 1 1 63 63 PHE H H 160 9.207 9.207 9.003 0.204 17752 344 1 . 1 1 64 64 ALA N N 161 130.696 130.696 129.007 1.689 17752 345 1 . 1 1 64 64 ALA HA H 161 4.645 4.645 4.458 0.186 17752 346 1 . 1 1 64 64 ALA C C 161 177.327 177.327 177.320 0.007 17752 347 1 . 1 1 64 64 ALA CA C 161 51.333 51.333 52.703 -1.370 17752 348 1 . 1 1 64 64 ALA CB C 161 19.696 19.696 20.167 -0.471 17752 349 1 . 1 1 64 64 ALA H H 161 8.371 8.371 8.235 0.136 17752 350 1 . 1 1 65 65 GLY N N 162 105.725 105.725 107.057 -1.332 17752 351 1 . 1 1 65 65 GLY C C 162 173.920 173.920 174.024 -0.104 17752 352 1 . 1 1 65 65 GLY CA C 162 47.245 47.245 45.506 1.739 17752 353 1 . 1 1 65 65 GLY H H 162 6.059 6.059 7.637 -1.578 17752 354 1 . 1 1 66 66 GLN N N 163 122.418 122.418 122.705 -0.287 17752 355 1 . 1 1 66 66 GLN HA H 163 5.120 5.120 4.574 0.546 17752 356 1 . 1 1 66 66 GLN C C 163 176.832 176.832 174.860 1.972 17752 357 1 . 1 1 66 66 GLN CA C 163 55.887 55.887 55.792 0.095 17752 358 1 . 1 1 66 66 GLN CB C 163 30.063 30.063 28.557 1.506 17752 359 1 . 1 1 66 66 GLN H H 163 9.029 9.029 8.545 0.484 17752 360 1 . 1 1 67 67 GLN N N 164 119.220 119.220 118.914 0.306 17752 361 1 . 1 1 67 67 GLN HA H 164 4.373 4.373 4.529 -0.156 17752 362 1 . 1 1 67 67 GLN C C 164 173.020 173.020 174.970 -1.950 17752 363 1 . 1 1 67 67 GLN CA C 164 56.025 56.025 55.047 0.978 17752 364 1 . 1 1 67 67 GLN CB C 164 30.868 30.868 30.449 0.419 17752 365 1 . 1 1 67 67 GLN H H 164 7.746 7.746 7.860 -0.114 17752 366 1 . 1 1 68 68 THR N N 165 104.368 104.368 109.620 -5.252 17752 367 1 . 1 1 68 68 THR HA H 165 3.264 3.264 3.783 -0.519 17752 368 1 . 1 1 68 68 THR C C 165 171.726 171.726 172.560 -0.835 17752 369 1 . 1 1 68 68 THR CA C 165 58.963 58.963 60.849 -1.886 17752 370 1 . 1 1 68 68 THR CB C 165 66.777 66.777 68.291 -1.514 17752 371 1 . 1 1 68 68 THR H H 165 7.716 7.716 8.253 -0.537 17752 372 1 . 1 1 69 69 GLU N N 166 113.260 113.260 118.358 -5.098 17752 373 1 . 1 1 69 69 GLU HA H 166 4.597 4.597 4.679 -0.082 17752 374 1 . 1 1 69 69 GLU C C 166 174.977 174.977 174.538 0.439 17752 375 1 . 1 1 69 69 GLU CA C 166 53.742 53.742 54.183 -0.441 17752 376 1 . 1 1 69 69 GLU CB C 166 33.177 33.177 32.735 0.442 17752 377 1 . 1 1 69 69 GLU H H 166 6.562 6.562 7.368 -0.806 17752 378 1 . 1 1 70 70 PHE N N 167 122.043 122.043 123.797 -1.754 17752 379 1 . 1 1 70 70 PHE HA H 167 4.545 4.545 4.979 -0.434 17752 380 1 . 1 1 70 70 PHE C C 167 172.620 172.620 173.633 -1.012 17752 381 1 . 1 1 70 70 PHE CA C 167 58.957 58.957 56.806 2.151 17752 382 1 . 1 1 70 70 PHE CB C 167 45.667 45.667 43.842 1.825 17752 383 1 . 1 1 70 70 PHE H H 167 9.385 9.385 9.151 0.234 17752 384 1 . 1 1 71 71 LYS N N 168 122.342 122.342 124.123 -1.782 17752 385 1 . 1 1 71 71 LYS HA H 168 5.667 5.667 5.578 0.089 17752 386 1 . 1 1 71 71 LYS C C 168 174.656 174.656 175.265 -0.610 17752 387 1 . 1 1 71 71 LYS CA C 168 54.701 54.701 54.089 0.612 17752 388 1 . 1 1 71 71 LYS CB C 168 35.338 35.338 35.043 0.295 17752 389 1 . 1 1 71 71 LYS H H 168 7.129 7.129 7.634 -0.505 17752 390 1 . 1 1 72 72 ILE N N 169 122.191 122.191 123.105 -0.914 17752 391 1 . 1 1 72 72 ILE HA H 169 4.334 4.334 4.253 0.081 17752 392 1 . 1 1 72 72 ILE C C 169 175.258 175.258 175.070 0.188 17752 393 1 . 1 1 72 72 ILE CA C 169 59.091 59.091 58.885 0.206 17752 394 1 . 1 1 72 72 ILE CB C 169 39.295 39.295 39.371 -0.076 17752 395 1 . 1 1 72 72 ILE H H 169 8.978 8.978 8.822 0.156 17752 396 1 . 1 1 73 73 LEU N N 170 126.298 126.298 126.368 -0.070 17752 397 1 . 1 1 73 73 LEU HA H 170 4.647 4.647 4.621 0.026 17752 398 1 . 1 1 73 73 LEU C C 170 176.979 176.979 177.706 -0.728 17752 399 1 . 1 1 73 73 LEU CA C 170 56.171 56.171 55.577 0.594 17752 400 1 . 1 1 73 73 LEU CB C 170 43.187 43.187 42.731 0.456 17752 401 1 . 1 1 73 73 LEU H H 170 8.647 8.647 8.636 0.011 17752 402 1 . 1 1 74 74 SER N N 171 112.997 112.997 116.343 -3.346 17752 403 1 . 1 1 74 74 SER HA H 171 4.792 4.792 4.496 0.295 17752 404 1 . 1 1 74 74 SER C C 171 172.975 172.975 173.456 -0.481 17752 405 1 . 1 1 74 74 SER CA C 171 57.259 57.259 58.587 -1.328 17752 406 1 . 1 1 74 74 SER CB C 171 62.829 62.829 61.787 1.042 17752 407 1 . 1 1 74 74 SER H H 171 7.438 7.438 8.109 -0.671 17752 408 1 . 1 1 75 75 LEU N N 172 124.862 124.862 123.953 0.909 17752 409 1 . 1 1 75 75 LEU HA H 172 4.454 4.454 4.519 -0.065 17752 410 1 . 1 1 75 75 LEU C C 172 175.166 175.166 175.792 -0.626 17752 411 1 . 1 1 75 75 LEU CA C 172 53.276 53.276 53.502 -0.226 17752 412 1 . 1 1 75 75 LEU CB C 172 45.925 45.925 45.137 0.788 17752 413 1 . 1 1 75 75 LEU H H 172 7.932 7.932 7.763 0.169 17752 414 1 . 1 1 76 76 HIS N N 173 120.512 120.512 120.490 0.022 17752 415 1 . 1 1 76 76 HIS HA H 173 5.027 5.027 4.991 0.036 17752 416 1 . 1 1 76 76 HIS C C 173 173.227 173.227 172.893 0.334 17752 417 1 . 1 1 76 76 HIS CA C 173 53.512 53.512 53.140 0.372 17752 418 1 . 1 1 76 76 HIS CB C 173 30.896 30.896 32.215 -1.319 17752 419 1 . 1 1 76 76 HIS H H 173 8.350 8.350 8.504 -0.154 17752 420 1 . 1 1 77 77 PRO HA H 174 4.194 4.194 4.335 -0.141 17752 421 1 . 1 1 77 77 PRO C C 174 178.280 178.280 177.497 0.783 17752 422 1 . 1 1 77 77 PRO CA C 174 63.005 63.005 63.828 -0.823 17752 423 1 . 1 1 77 77 PRO CB C 174 32.946 32.946 31.689 1.257 17752 424 1 . 1 1 78 78 GLY N N 175 109.449 109.449 113.320 -3.871 17752 425 1 . 1 1 78 78 GLY C C 175 173.983 173.983 173.809 0.174 17752 426 1 . 1 1 78 78 GLY CA C 175 46.309 46.309 45.001 1.308 17752 427 1 . 1 1 78 78 GLY H H 175 7.323 7.323 8.669 -1.347 17752 428 1 . 1 1 79 79 GLN N N 176 116.806 116.806 118.755 -1.949 17752 429 1 . 1 1 79 79 GLN HA H 176 4.564 4.564 4.643 -0.079 17752 430 1 . 1 1 79 79 GLN C C 176 174.210 174.210 174.506 -0.295 17752 431 1 . 1 1 79 79 GLN CA C 176 54.321 54.321 54.031 0.290 17752 432 1 . 1 1 79 79 GLN CB C 176 30.805 30.805 32.251 -1.446 17752 433 1 . 1 1 79 79 GLN H H 176 7.122 7.122 7.659 -0.537 17752 434 1 . 1 1 80 80 LYS N N 177 123.628 123.628 124.418 -0.790 17752 435 1 . 1 1 80 80 LYS HA H 177 4.989 4.989 4.782 0.207 17752 436 1 . 1 1 80 80 LYS C C 177 175.461 175.461 175.183 0.278 17752 437 1 . 1 1 80 80 LYS CA C 177 55.580 55.580 56.034 -0.454 17752 438 1 . 1 1 80 80 LYS CB C 177 33.369 33.369 33.963 -0.595 17752 439 1 . 1 1 80 80 LYS H H 177 8.679 8.679 8.821 -0.142 17752 440 1 . 1 1 81 81 TYR N N 178 126.820 126.820 124.260 2.560 17752 441 1 . 1 1 81 81 TYR HA H 178 5.084 5.084 4.955 0.129 17752 442 1 . 1 1 81 81 TYR C C 178 174.883 174.883 174.706 0.177 17752 443 1 . 1 1 81 81 TYR CA C 178 57.082 57.082 56.771 0.311 17752 444 1 . 1 1 81 81 TYR CB C 178 41.952 41.952 41.777 0.175 17752 445 1 . 1 1 81 81 TYR H H 178 9.407 9.407 9.278 0.129 17752 446 1 . 1 1 82 82 LEU N N 179 119.285 119.285 124.066 -4.781 17752 447 1 . 1 1 82 82 LEU HA H 179 4.993 4.993 4.979 0.014 17752 448 1 . 1 1 82 82 LEU C C 179 176.372 176.372 176.043 0.329 17752 449 1 . 1 1 82 82 LEU CA C 179 54.686 54.686 53.829 0.857 17752 450 1 . 1 1 82 82 LEU CB C 179 45.287 45.287 42.652 2.635 17752 451 1 . 1 1 82 82 LEU H H 179 8.457 8.457 8.874 -0.417 17752 452 1 . 1 1 83 83 VAL N N 180 119.136 119.136 118.032 1.105 17752 453 1 . 1 1 83 83 VAL HA H 180 5.167 5.167 5.147 0.020 17752 454 1 . 1 1 83 83 VAL C C 180 175.007 175.007 174.556 0.451 17752 455 1 . 1 1 83 83 VAL CA C 180 60.829 60.829 59.425 1.404 17752 456 1 . 1 1 83 83 VAL CB C 180 35.132 35.132 34.913 0.219 17752 457 1 . 1 1 83 83 VAL H H 180 8.442 8.442 9.109 -0.667 17752 458 1 . 1 1 84 84 GLN N N 181 121.769 121.769 122.702 -0.933 17752 459 1 . 1 1 84 84 GLN HA H 181 4.365 4.365 4.986 -0.621 17752 460 1 . 1 1 84 84 GLN C C 181 172.935 172.935 173.726 -0.791 17752 461 1 . 1 1 84 84 GLN CA C 181 55.052 55.052 54.554 0.498 17752 462 1 . 1 1 84 84 GLN CB C 181 36.079 36.079 33.317 2.762 17752 463 1 . 1 1 84 84 GLN H H 181 8.986 8.986 8.599 0.387 17752 464 1 . 1 1 85 85 VAL N N 182 116.946 116.946 122.217 -5.271 17752 465 1 . 1 1 85 85 VAL HA H 182 5.444 5.444 5.037 0.407 17752 466 1 . 1 1 85 85 VAL C C 182 172.842 172.842 174.254 -1.412 17752 467 1 . 1 1 85 85 VAL CA C 182 59.501 59.501 59.433 0.068 17752 468 1 . 1 1 85 85 VAL CB C 182 35.973 35.973 34.110 1.863 17752 469 1 . 1 1 85 85 VAL H H 182 8.425 8.425 8.530 -0.105 17752 470 1 . 1 1 86 86 ARG N N 183 122.701 122.701 126.327 -3.626 17752 471 1 . 1 1 86 86 ARG HA H 183 4.586 4.586 4.416 0.170 17752 472 1 . 1 1 86 86 ARG C C 183 173.613 173.613 173.695 -0.082 17752 473 1 . 1 1 86 86 ARG CA C 183 54.760 54.760 53.611 1.149 17752 474 1 . 1 1 86 86 ARG CB C 183 33.484 33.484 33.144 0.340 17752 475 1 . 1 1 86 86 ARG H H 183 8.853 8.853 8.712 0.141 17752 476 1 . 1 1 87 87 CYS N N 184 113.995 113.995 118.819 -4.824 17752 477 1 . 1 1 87 87 CYS HA H 184 6.281 6.281 5.082 1.199 17752 478 1 . 1 1 87 87 CYS C C 184 172.060 172.060 173.563 -1.503 17752 479 1 . 1 1 87 87 CYS CA C 184 54.763 54.763 55.720 -0.957 17752 480 1 . 1 1 87 87 CYS CB C 184 34.453 34.453 31.564 2.888 17752 481 1 . 1 1 87 87 CYS H H 184 8.869 8.869 8.346 0.523 17752 482 1 . 1 1 88 88 LYS N N 185 119.231 119.231 121.113 -1.882 17752 483 1 . 1 1 88 88 LYS HA H 185 4.650 4.650 4.836 -0.186 17752 484 1 . 1 1 88 88 LYS C C 185 172.274 172.274 174.185 -1.911 17752 485 1 . 1 1 88 88 LYS CA C 185 53.192 53.192 53.796 -0.604 17752 486 1 . 1 1 88 88 LYS CB C 185 33.530 33.530 32.372 1.158 17752 487 1 . 1 1 88 88 LYS H H 185 8.680 8.680 8.199 0.481 17752 488 1 . 1 1 89 89 PRO HA H 186 4.874 4.874 4.490 0.384 17752 489 1 . 1 1 89 89 PRO C C 186 177.163 177.163 177.156 0.007 17752 490 1 . 1 1 89 89 PRO CA C 186 60.867 60.867 62.249 -1.382 17752 491 1 . 1 1 89 89 PRO CB C 186 31.041 31.041 32.504 -1.463 17752 492 1 . 1 1 90 90 ASP N N 187 121.615 121.615 118.259 3.356 17752 493 1 . 1 1 90 90 ASP HA H 187 4.571 4.571 4.175 0.396 17752 494 1 . 1 1 90 90 ASP C C 187 176.587 176.587 176.364 0.223 17752 495 1 . 1 1 90 90 ASP CA C 187 56.898 56.898 55.900 0.998 17752 496 1 . 1 1 90 90 ASP CB C 187 40.161 40.161 40.436 -0.276 17752 497 1 . 1 1 90 90 ASP H H 187 8.377 8.377 8.649 -0.273 17752 498 1 . 1 1 91 91 HIS N N 188 115.767 115.767 116.528 -0.761 17752 499 1 . 1 1 91 91 HIS HA H 188 4.487 4.487 4.565 -0.078 17752 500 1 . 1 1 91 91 HIS C C 188 174.877 174.877 174.656 0.221 17752 501 1 . 1 1 91 91 HIS CA C 188 56.060 56.060 56.265 -0.205 17752 502 1 . 1 1 91 91 HIS CB C 188 29.064 29.064 30.034 -0.971 17752 503 1 . 1 1 91 91 HIS H H 188 8.020 8.020 8.063 -0.043 17752 504 1 . 1 1 92 92 GLY N N 189 108.492 108.492 105.384 3.108 17752 505 1 . 1 1 92 92 GLY C C 189 171.977 171.977 171.941 0.036 17752 506 1 . 1 1 92 92 GLY CA C 189 44.356 44.356 45.063 -0.707 17752 507 1 . 1 1 92 92 GLY H H 189 7.648 7.648 7.392 0.256 17752 508 1 . 1 1 93 93 TYR N N 190 120.823 120.823 117.945 2.878 17752 509 1 . 1 1 93 93 TYR HA H 190 4.589 4.589 4.696 -0.107 17752 510 1 . 1 1 93 93 TYR C C 190 174.685 174.685 174.813 -0.128 17752 511 1 . 1 1 93 93 TYR CA C 190 55.924 55.924 56.704 -0.780 17752 512 1 . 1 1 93 93 TYR CB C 190 40.462 40.462 40.202 0.261 17752 513 1 . 1 1 93 93 TYR H H 190 8.265 8.265 7.877 0.388 17752 514 1 . 1 1 94 94 TRP N N 191 117.501 117.501 122.276 -4.775 17752 515 1 . 1 1 94 94 TRP HA H 191 4.399 4.399 4.697 -0.298 17752 516 1 . 1 1 94 94 TRP C C 191 178.522 178.522 175.473 3.049 17752 517 1 . 1 1 94 94 TRP CA C 191 57.620 57.620 57.087 0.533 17752 518 1 . 1 1 94 94 TRP CB C 191 30.530 30.530 30.090 0.440 17752 519 1 . 1 1 94 94 TRP H H 191 7.637 7.637 8.353 -0.716 17752 520 1 . 1 1 95 95 SER N N 192 117.327 117.327 117.809 -0.482 17752 521 1 . 1 1 95 95 SER HA H 192 4.314 4.314 4.384 -0.070 17752 522 1 . 1 1 95 95 SER C C 192 173.924 173.924 173.786 0.138 17752 523 1 . 1 1 95 95 SER CA C 192 57.840 57.840 57.967 -0.127 17752 524 1 . 1 1 95 95 SER CB C 192 67.312 67.312 64.121 3.191 17752 525 1 . 1 1 95 95 SER H H 192 9.755 9.755 8.495 1.260 17752 526 1 . 1 1 96 96 ALA N N 193 120.747 120.747 123.362 -2.615 17752 527 1 . 1 1 96 96 ALA HA H 193 4.134 4.134 4.521 -0.386 17752 528 1 . 1 1 96 96 ALA C C 193 178.311 178.311 175.046 3.265 17752 529 1 . 1 1 96 96 ALA CA C 193 52.387 52.387 52.122 0.265 17752 530 1 . 1 1 96 96 ALA CB C 193 18.821 18.821 19.691 -0.870 17752 531 1 . 1 1 96 96 ALA H H 193 8.824 8.824 7.638 1.186 17752 532 1 . 1 1 97 97 TRP N N 194 120.634 120.634 119.676 0.958 17752 533 1 . 1 1 97 97 TRP HA H 194 4.314 4.314 4.912 -0.598 17752 534 1 . 1 1 97 97 TRP C C 194 177.944 177.944 175.990 1.954 17752 535 1 . 1 1 97 97 TRP CA C 194 57.825 57.825 56.837 0.988 17752 536 1 . 1 1 97 97 TRP CB C 194 29.702 29.702 30.754 -1.052 17752 537 1 . 1 1 97 97 TRP H H 194 8.118 8.118 8.402 -0.284 17752 538 1 . 1 1 98 98 SER N N 195 118.649 118.649 115.559 3.090 17752 539 1 . 1 1 98 98 SER HA H 195 4.372 4.372 4.615 -0.243 17752 540 1 . 1 1 98 98 SER C C 195 170.132 170.132 173.002 -2.870 17752 541 1 . 1 1 98 98 SER CA C 195 57.851 57.851 59.088 -1.237 17752 542 1 . 1 1 98 98 SER CB C 195 62.213 62.213 62.619 -0.406 17752 543 1 . 1 1 98 98 SER H H 195 9.327 9.327 8.517 0.810 17752 544 1 . 1 1 99 99 PRO HA H 196 4.585 4.585 4.523 0.062 17752 545 1 . 1 1 99 99 PRO C C 196 178.242 178.242 175.077 3.165 17752 546 1 . 1 1 99 99 PRO CA C 196 63.403 63.403 62.458 0.945 17752 547 1 . 1 1 99 99 PRO CB C 196 31.405 31.405 30.965 0.440 17752 548 1 . 1 1 100 100 ALA N N 197 127.219 127.219 127.118 0.101 17752 549 1 . 1 1 100 100 ALA HA H 197 4.680 4.680 4.535 0.145 17752 550 1 . 1 1 100 100 ALA C C 197 178.043 178.043 176.766 1.277 17752 551 1 . 1 1 100 100 ALA CA C 197 52.309 52.309 51.159 1.150 17752 552 1 . 1 1 100 100 ALA CB C 197 18.973 18.973 19.873 -0.900 17752 553 1 . 1 1 100 100 ALA H H 197 9.001 9.001 8.021 0.980 17752 554 1 . 1 1 101 101 THR N N 198 118.178 118.178 120.995 -2.817 17752 555 1 . 1 1 101 101 THR HA H 198 4.598 4.598 4.650 -0.052 17752 556 1 . 1 1 101 101 THR C C 198 172.242 172.242 173.431 -1.190 17752 557 1 . 1 1 101 101 THR CA C 198 61.440 61.440 61.766 -0.326 17752 558 1 . 1 1 101 101 THR CB C 198 70.945 70.945 70.141 0.804 17752 559 1 . 1 1 101 101 THR H H 198 8.617 8.617 8.793 -0.175 17752 560 1 . 1 1 102 102 PHE N N 199 123.141 123.141 125.787 -2.646 17752 561 1 . 1 1 102 102 PHE HA H 199 5.867 5.867 5.006 0.861 17752 562 1 . 1 1 102 102 PHE C C 199 175.273 175.273 175.757 -0.484 17752 563 1 . 1 1 102 102 PHE CA C 199 55.877 55.877 57.780 -1.903 17752 564 1 . 1 1 102 102 PHE CB C 199 42.052 42.052 40.224 1.828 17752 565 1 . 1 1 102 102 PHE H H 199 8.419 8.419 8.937 -0.518 17752 566 1 . 1 1 103 103 ILE N N 200 118.251 118.251 124.387 -6.136 17752 567 1 . 1 1 103 103 ILE HA H 200 4.674 4.674 4.601 0.073 17752 568 1 . 1 1 103 103 ILE C C 200 171.732 171.732 174.018 -2.286 17752 569 1 . 1 1 103 103 ILE CA C 200 58.046 58.046 59.252 -1.206 17752 570 1 . 1 1 103 103 ILE CB C 200 41.631 41.631 42.504 -0.873 17752 571 1 . 1 1 103 103 ILE H H 200 8.940 8.940 9.149 -0.209 17752 572 1 . 1 1 104 104 GLN N N 201 127.961 127.961 126.947 1.014 17752 573 1 . 1 1 104 104 GLN HA H 201 4.592 4.592 4.697 -0.105 17752 574 1 . 1 1 104 104 GLN C C 201 174.363 174.363 175.156 -0.793 17752 575 1 . 1 1 104 104 GLN CA C 201 54.484 54.484 54.382 0.102 17752 576 1 . 1 1 104 104 GLN CB C 201 29.320 29.320 30.031 -0.711 17752 577 1 . 1 1 104 104 GLN H H 201 8.641 8.641 8.559 0.082 17752 578 1 . 1 1 105 105 ILE N N 202 129.177 129.177 126.560 2.617 17752 579 1 . 1 1 105 105 ILE HA H 202 4.406 4.406 4.410 -0.004 17752 580 1 . 1 1 105 105 ILE C C 202 175.609 175.609 174.735 0.874 17752 581 1 . 1 1 105 105 ILE CA C 202 56.023 56.023 57.229 -1.206 17752 582 1 . 1 1 105 105 ILE CB C 202 35.689 35.689 37.394 -1.705 17752 583 1 . 1 1 105 105 ILE H H 202 8.676 8.676 8.716 -0.040 17752 584 1 . 1 1 106 106 PRO HA H 203 4.578 4.578 4.606 -0.028 17752 585 1 . 1 1 106 106 PRO CB C 203 33.030 33.030 32.623 0.407 17752 586 1 . 1 1 107 107 SER N N 204 115.204 115.204 115.627 -0.423 17752 587 1 . 1 1 107 107 SER HA H 204 4.108 4.108 4.266 -0.158 17752 588 1 . 1 1 107 107 SER C C 204 173.757 173.757 174.913 -1.156 17752 589 1 . 1 1 107 107 SER CA C 204 60.355 60.355 60.669 -0.314 17752 590 1 . 1 1 107 107 SER CB C 204 63.094 63.094 63.122 -0.028 17752 591 1 . 1 1 107 107 SER H H 204 7.914 7.914 8.737 -0.823 17752 592 1 . 1 1 108 108 ASP N N 205 118.737 118.737 119.029 -0.292 17752 593 1 . 1 1 108 108 ASP HA H 205 4.659 4.659 4.610 0.050 17752 594 1 . 1 1 108 108 ASP C C 205 175.704 175.704 176.059 -0.355 17752 595 1 . 1 1 108 108 ASP CA C 205 53.229 53.229 54.097 -0.869 17752 596 1 . 1 1 108 108 ASP CB C 205 40.152 40.152 39.962 0.190 17752 597 1 . 1 1 108 108 ASP H H 205 8.244 8.244 8.291 -0.047 17752 598 1 . 1 1 109 109 PHE N N 206 120.285 120.285 120.780 -0.495 17752 599 1 . 1 1 109 109 PHE HA H 206 4.411 4.411 4.354 0.057 17752 600 1 . 1 1 109 109 PHE C C 206 174.781 174.781 175.035 -0.254 17752 601 1 . 1 1 109 109 PHE CA C 206 58.706 58.706 60.122 -1.416 17752 602 1 . 1 1 109 109 PHE CB C 206 40.075 40.075 39.801 0.273 17752 603 1 . 1 1 109 109 PHE H H 206 7.595 7.595 7.594 0.001 17752 604 1 . 1 1 110 110 THR N N 207 115.253 115.253 114.087 1.166 17752 605 1 . 1 1 110 110 THR HA H 207 4.294 4.294 4.266 0.028 17752 606 1 . 1 1 110 110 THR C C 207 173.714 173.714 174.144 -0.430 17752 607 1 . 1 1 110 110 THR CA C 207 61.742 61.742 62.355 -0.613 17752 608 1 . 1 1 110 110 THR CB C 207 70.070 70.070 69.652 0.418 17752 609 1 . 1 1 110 110 THR H H 207 7.812 7.812 7.704 0.108 17752 610 1 . 1 1 111 111 MET N N 208 122.575 122.575 122.242 0.333 17752 611 1 . 1 1 111 111 MET HA H 208 4.555 4.555 4.369 0.186 17752 612 1 . 1 1 111 111 MET C C 208 175.656 175.656 175.702 -0.046 17752 613 1 . 1 1 111 111 MET CA C 208 55.451 55.451 56.221 -0.770 17752 614 1 . 1 1 111 111 MET CB C 208 33.175 33.175 32.552 0.623 17752 615 1 . 1 1 111 111 MET H H 208 8.391 8.391 8.353 0.038 17752 616 1 . 1 1 112 112 ASN N N 209 120.351 120.351 119.271 1.080 17752 617 1 . 1 1 112 112 ASN HA H 209 4.785 4.785 4.650 0.135 17752 618 1 . 1 1 112 112 ASN C C 209 173.846 173.846 174.004 -0.158 17752 619 1 . 1 1 112 112 ASN CA C 209 53.341 53.341 53.419 -0.078 17752 620 1 . 1 1 112 112 ASN CB C 209 39.600 39.600 38.549 1.050 17752 621 1 . 1 1 112 112 ASN H H 209 8.442 8.442 8.230 0.212 17752 stop_ save_